******************************************************************************* ** Site#: 28262 E-mail support: MrMOPAC@ATT.net Version 17.276W 64BITS ** ******************************************************************************* ** Cite this program as: MOPAC2016, Version: 17.276W, James J. P. Stewart, ** ** Stewart Computational Chemistry, web-site: HTTP://OpenMOPAC.net. ** ******************************************************************************* ** ** ** MOPAC2016 ** ** ** ******************************************************************************* PM7 CALCULATION RESULTS ******************************************************************************* * CALCULATION DONE: Tue Oct 03 21:40:02 2017 * * SETPI - SOME OR ALL PI BONDS EXPLICITLY SET BY USER * MOZYME - USE LOCALIZED M.O.s IN SOLVING THE SCF EQUATIONS * NOOPT - DO NOT OPTIMIZE ANY COORDINATES * OPT-H - OPTIMIZE COORDINATES OF ATOMS OF TYPE H * * * * CHARGE ON SYSTEM = -1 * * * * EPS= 78.40 - USE ANDREAS KLAMT'S COSMO IMPLICIT SOLVATION MODEL * T= - A TIME OF 2.0 WEEKS REQUESTED * DUMP=N - RESTART FILE WRITTEN EVERY 7200.000 SECONDS * GNORM= - EXIT WHEN GRADIENT NORM DROPS BELOW 5.00 * OUTPUT - MINIMIZE OUTPUT * HTML - WRITE HTML SCRIPT TO READ PDB FILE USING JSMOL ******************************************************************************* HTML OUTPUT noopt opt-H setpi t=2W GNORM=5 charge=-1 MOZYME eps=78.4 Optimizing the positions of the hydrogen atoms Keyword SETPI used, pi-bonds specified are: Bond No. Atom to Atom 1 "HETATM 2500 C6 8OG A1157" - "HETATM 2502 N1 8OG A1157" General Reference for PM7: "Optimization of Parameters for Semiempirical Methods VI: More Modifications to the NDDO Approximations and Re-optimization of Parameters", J. J. P. Stewart, J. Mol. Mod., 1:32, 19 (2013) http://www.springerlink.com/openurl.asp?genre=article&id=doi:10.1007/s00894-012-1667-x Empirical Formula: C817 H1514 N214 O382 S8 P = 2936 atoms Ion Atom No. Label Charge (Distances are between charged sites predicted by Lewis structure theory) 1 N 346 (ATOM 346 NZ LYS A 23) +1 (4.7 Angstroms from anion O 2508, Label: HETATM 2509 OP1 8OG A1157) 2 N 368 (ATOM 368 NZ LYS A 24) +1 (2.8 Angstroms from anion O 1470, Label: ATOM 1470 OE2 GLU A 97) 3 C 464 (ATOM 464 CZ ARG A 31) +1 (6.0 Angstroms from anion O 2263, Label: ATOM 2263 OD2 ASP A 143) 4 C 737 (ATOM 737 CZ ARG A 50) +1 (3.3 Angstroms from anion O 692, Label: ATOM 692 OE2 GLU A 46) 5 C 761 (ATOM 761 CZ ARG A 51) +1 (3.5 Angstroms from anion O 644, Label: ATOM 644 OE2 GLU A 43) 6 C 1281 (ATOM 1281 CE1 HIS A 84) +1 (3.3 Angstroms from anion O 1251, Label: ATOM 1251 OD2 ASP A 82) 7 C 2116 (ATOM 2116 CE1 HIS A 134) +1 (5.4 Angstroms from anion O 2475, Label: ATOM 2475 OXT VAL A 156) 8 N 2181 (ATOM 2181 NZ LYS A 138) +1 (3.8 Angstroms from anion O 2327, Label: ATOM 2327 OD2 ASP A 147) 1 O 644 (ATOM 644 OE2 GLU A 43) -1 (3.5 Angstroms from cation C 761, Label: ATOM 761 CZ ARG A 51) 2 O 692 (ATOM 692 OE2 GLU A 46) -1 (3.3 Angstroms from cation C 737, Label: ATOM 737 CZ ARG A 50) 3 O 1251 (ATOM 1251 OD2 ASP A 82) -1 (3.3 Angstroms from cation C 1281, Label: ATOM 1281 CE1 HIS A 84) 4 O 1470 (ATOM 1470 OE2 GLU A 97) -1 (2.8 Angstroms from cation N 368, Label: ATOM 368 NZ LYS A 24) 5 O 2263 (ATOM 2263 OD2 ASP A 143) -1 (6.0 Angstroms from cation C 464, Label: ATOM 464 CZ ARG A 31) 6 O 2327 (ATOM 2327 OD2 ASP A 147) -1 (3.8 Angstroms from cation N 2181, Label: ATOM 2181 NZ LYS A 138) 7 O 2475 (ATOM 2475 OXT VAL A 156) -1 (5.4 Angstroms from cation C 2116, Label: ATOM 2116 CE1 HIS A 134) 8 O 2500 (HETATM 2501 O6 8OG A1157) -1 (7.4 Angstroms from cation C 464, Label: ATOM 464 CZ ARG A 31) 9 O 2508 (HETATM 2509 OP1 8OG A1157) -1 (4.7 Angstroms from cation N 346, Label: ATOM 346 NZ LYS A 23) COMPUTED CHARGE ON SYSTEM: -1, THIS AGREES WITH THE CHARGE DEFINED BY KEYWORD "CHARGE" Geometry optimization using L-BFGS CYCLE: 1 TIME: 238.617 TIME LEFT: 2.00W GRAD.: 770.358 HEAT: -20775.78 CYCLE: 2 TIME: 94.758 TIME LEFT: 2.00W GRAD.: 767.596 HEAT: -20781.72 CYCLE: 3 TIME: 113.305 TIME LEFT: 2.00W GRAD.: 439.732 HEAT: -21421.01 CYCLE: 4 TIME: 99.078 TIME LEFT: 2.00W GRAD.: 207.907 HEAT: -21740.04 CYCLE: 5 TIME: 112.227 TIME LEFT: 2.00W GRAD.: 171.821 HEAT: -21858.15 CYCLE: 6 TIME: 113.469 TIME LEFT: 2.00W GRAD.: 179.654 HEAT: -21948.10 CYCLE: 7 TIME: 113.852 TIME LEFT: 2.00W GRAD.: 153.317 HEAT: -22028.09 CYCLE: 8 TIME: 111.477 TIME LEFT: 2.00W GRAD.: 176.349 HEAT: -22108.68 CYCLE: 9 TIME: 112.398 TIME LEFT: 2.00W GRAD.: 146.014 HEAT: -22168.02 CYCLE: 10 TIME: 112.570 TIME LEFT: 2.00W GRAD.: 126.293 HEAT: -22219.32 CYCLE: 11 TIME: 113.023 TIME LEFT: 2.00W GRAD.: 139.547 HEAT: -22279.59 CYCLE: 12 TIME: 113.117 TIME LEFT: 2.00W GRAD.: 166.926 HEAT: -22321.45 CYCLE: 13 TIME: 111.898 TIME LEFT: 2.00W GRAD.: 170.078 HEAT: -22377.32 CYCLE: 14 TIME: 112.070 TIME LEFT: 2.00W GRAD.: 173.607 HEAT: -22425.44 CYCLE: 15 TIME: 100.422 TIME LEFT: 2.00W GRAD.: 113.244 HEAT: -22461.85 CYCLE: 16 TIME: 114.500 TIME LEFT: 2.00W GRAD.: 116.022 HEAT: -22516.72 CYCLE: 17 TIME: 136.703 TIME LEFT: 2.00W GRAD.: 169.677 HEAT: -22564.80 CYCLE: 18 TIME: 115.305 TIME LEFT: 2.00W GRAD.: 144.787 HEAT: -22613.40 CYCLE: 19 TIME: 103.312 TIME LEFT: 2.00W GRAD.: 98.605 HEAT: -22656.41 CYCLE: 20 TIME: 148.867 TIME LEFT: 2.00W GRAD.: 231.273 HEAT: -22649.81 CYCLE: 21 TIME: 113.016 TIME LEFT: 2.00W GRAD.: 131.747 HEAT: -22691.02 CYCLE: 22 TIME: 112.523 TIME LEFT: 2.00W GRAD.: 67.899 HEAT: -22720.47 CYCLE: 23 TIME: 113.273 TIME LEFT: 2.00W GRAD.: 84.418 HEAT: -22740.41 CYCLE: 24 TIME: 110.914 TIME LEFT: 2.00W GRAD.: 102.129 HEAT: -22760.31 CYCLE: 25 TIME: 133.625 TIME LEFT: 2.00W GRAD.: 133.404 HEAT: -22776.13 CYCLE: 26 TIME: 103.023 TIME LEFT: 1.99W GRAD.: 115.504 HEAT: -22794.53 CYCLE: 27 TIME: 110.719 TIME LEFT: 1.99W GRAD.: 81.517 HEAT: -22815.71 CYCLE: 28 TIME: 113.328 TIME LEFT: 1.99W GRAD.: 70.306 HEAT: -22833.26 CYCLE: 29 TIME: 110.953 TIME LEFT: 1.99W GRAD.: 90.439 HEAT: -22846.39 CYCLE: 30 TIME: 132.578 TIME LEFT: 1.99W GRAD.: 121.803 HEAT: -22861.37 CYCLE: 31 TIME: 134.742 TIME LEFT: 1.99W GRAD.: 103.297 HEAT: -22876.92 CYCLE: 32 TIME: 133.008 TIME LEFT: 1.99W GRAD.: 92.931 HEAT: -22884.24 CYCLE: 33 TIME: 99.805 TIME LEFT: 1.99W GRAD.: 43.375 HEAT: -22896.71 CYCLE: 34 TIME: 111.211 TIME LEFT: 1.99W GRAD.: 45.302 HEAT: -22902.29 CYCLE: 35 TIME: 110.219 TIME LEFT: 1.99W GRAD.: 71.952 HEAT: -22911.46 CYCLE: 36 TIME: 112.008 TIME LEFT: 1.99W GRAD.: 78.018 HEAT: -22918.59 CYCLE: 37 TIME: 110.227 TIME LEFT: 1.99W GRAD.: 46.665 HEAT: -22926.59 CYCLE: 38 TIME: 110.750 TIME LEFT: 1.99W GRAD.: 50.679 HEAT: -22935.66 CYCLE: 39 TIME: 110.055 TIME LEFT: 1.99W GRAD.: 47.320 HEAT: -22940.29 CYCLE: 40 TIME: 142.773 TIME LEFT: 1.99W GRAD.: 92.217 HEAT: -22942.12 CYCLE: 41 TIME: 131.773 TIME LEFT: 1.99W GRAD.: 159.411 HEAT: -22935.09 CYCLE: 42 TIME: 102.586 TIME LEFT: 1.99W GRAD.: 33.188 HEAT: -22955.04 CYCLE: 43 TIME: 111.461 TIME LEFT: 1.99W GRAD.: 33.044 HEAT: -22956.60 CYCLE: 44 TIME: 110.477 TIME LEFT: 1.99W GRAD.: 27.645 HEAT: -22959.99 CYCLE: 45 TIME: 131.617 TIME LEFT: 1.99W GRAD.: 45.434 HEAT: -22963.75 CYCLE: 46 TIME: 116.250 TIME LEFT: 1.99W GRAD.: 47.589 HEAT: -22966.54 CYCLE: 47 TIME: 105.086 TIME LEFT: 1.99W GRAD.: 26.120 HEAT: -22969.17 CYCLE: 48 TIME: 112.445 TIME LEFT: 1.99W GRAD.: 24.825 HEAT: -22971.50 CYCLE: 49 TIME: 112.023 TIME LEFT: 1.99W GRAD.: 29.336 HEAT: -22973.78 CYCLE: 50 TIME: 143.102 TIME LEFT: 1.99W GRAD.: 61.046 HEAT: -22977.11 CYCLE: 51 TIME: 103.531 TIME LEFT: 1.99W GRAD.: 35.929 HEAT: -22982.07 CYCLE: 52 TIME: 109.797 TIME LEFT: 1.99W GRAD.: 34.547 HEAT: -22987.92 CYCLE: 53 TIME: 111.586 TIME LEFT: 1.99W GRAD.: 58.490 HEAT: -22993.19 CYCLE: 54 TIME: 120.570 TIME LEFT: 1.99W GRAD.: 52.431 HEAT: -22997.31 CYCLE: 55 TIME: 121.898 TIME LEFT: 1.99W GRAD.: 62.087 HEAT: -22998.20 CYCLE: 56 TIME: 112.273 TIME LEFT: 1.99W GRAD.: 24.586 HEAT: -23002.37 CYCLE: 57 TIME: 112.758 TIME LEFT: 1.99W GRAD.: 28.636 HEAT: -23004.57 CYCLE: 58 TIME: 110.125 TIME LEFT: 1.99W GRAD.: 36.405 HEAT: -23006.32 CYCLE: 59 TIME: 112.820 TIME LEFT: 1.99W GRAD.: 26.710 HEAT: -23007.80 CYCLE: 60 TIME: 108.242 TIME LEFT: 1.99W GRAD.: 25.043 HEAT: -23009.54 CYCLE: 61 TIME: 104.164 TIME LEFT: 1.99W GRAD.: 23.368 HEAT: -23010.12 RESTART FILE WRITTEN, TIME LEFT: 1.99W GRAD.: 57.841 HEAT: -23011.76 CYCLE: 63 TIME: 101.703 TIME LEFT: 1.99W GRAD.: 26.449 HEAT: -23011.92 CYCLE: 64 TIME: 103.250 TIME LEFT: 1.99W GRAD.: 18.645 HEAT: -23012.42 CYCLE: 65 TIME: 100.656 TIME LEFT: 1.99W GRAD.: 18.558 HEAT: -23012.76 CYCLE: 66 TIME: 107.547 TIME LEFT: 1.99W GRAD.: 19.380 HEAT: -23014.01 CYCLE: 67 TIME: 120.523 TIME LEFT: 1.99W GRAD.: 22.309 HEAT: -23014.27 CYCLE: 68 TIME: 109.586 TIME LEFT: 1.99W GRAD.: 25.646 HEAT: -23014.02 CYCLE: 69 TIME: 113.070 TIME LEFT: 1.99W GRAD.: 19.370 HEAT: -23015.17 CYCLE: 70 TIME: 105.414 TIME LEFT: 1.99W GRAD.: 12.324 HEAT: -23015.41 CYCLE: 71 TIME: 105.156 TIME LEFT: 1.99W GRAD.: 15.408 HEAT: -23015.86 CYCLE: 72 TIME: 101.000 TIME LEFT: 1.99W GRAD.: 10.477 HEAT: -23015.97 CYCLE: 73 TIME: 112.062 TIME LEFT: 1.99W GRAD.: 11.618 HEAT: -23016.74 CYCLE: 74 TIME: 121.961 TIME LEFT: 1.99W GRAD.: 40.573 HEAT: -23016.74 CYCLE: 75 TIME: 100.359 TIME LEFT: 1.99W GRAD.: 19.063 HEAT: -23017.42 CYCLE: 76 TIME: 103.945 TIME LEFT: 1.99W GRAD.: 17.606 HEAT: -23018.03 CYCLE: 77 TIME: 124.609 TIME LEFT: 1.99W GRAD.: 26.364 HEAT: -23018.08 CYCLE: 78 TIME: 105.578 TIME LEFT: 1.99W GRAD.: 16.983 HEAT: -23018.63 CYCLE: 79 TIME: 111.484 TIME LEFT: 1.98W GRAD.: 18.598 HEAT: -23020.21 CYCLE: 80 TIME: 104.375 TIME LEFT: 1.98W GRAD.: 15.382 HEAT: -23019.99 CYCLE: 81 TIME: 120.547 TIME LEFT: 1.98W GRAD.: 23.172 HEAT: -23020.89 CYCLE: 82 TIME: 116.672 TIME LEFT: 1.98W GRAD.: 16.086 HEAT: -23021.98 CYCLE: 83 TIME: 114.109 TIME LEFT: 1.98W GRAD.: 15.757 HEAT: -23022.83 CYCLE: 84 TIME: 125.430 TIME LEFT: 1.98W GRAD.: 19.151 HEAT: -23023.56 CYCLE: 85 TIME: 113.359 TIME LEFT: 1.98W GRAD.: 30.378 HEAT: -23025.60 CYCLE: 86 TIME: 126.336 TIME LEFT: 1.98W GRAD.: 19.044 HEAT: -23025.75 CYCLE: 87 TIME: 123.203 TIME LEFT: 1.98W GRAD.: 21.734 HEAT: -23025.46 CYCLE: 88 TIME: 115.539 TIME LEFT: 1.98W GRAD.: 13.322 HEAT: -23027.03 CYCLE: 89 TIME: 122.227 TIME LEFT: 1.98W GRAD.: 12.804 HEAT: -23026.60 CYCLE: 90 TIME: 111.461 TIME LEFT: 1.98W GRAD.: 15.523 HEAT: -23026.83 CYCLE: 91 TIME: 134.453 TIME LEFT: 1.98W GRAD.: 33.272 HEAT: -23028.94 CYCLE: 92 TIME: 114.414 TIME LEFT: 1.98W GRAD.: 35.276 HEAT: -23027.30 CYCLE: 93 TIME: 119.148 TIME LEFT: 1.98W GRAD.: 27.430 HEAT: -23029.04 CYCLE: 94 TIME: 130.836 TIME LEFT: 1.98W GRAD.: 40.827 HEAT: -23028.33 CYCLE: 95 TIME: 101.156 TIME LEFT: 1.98W GRAD.: 16.541 HEAT: -23029.57 CYCLE: 96 TIME: 113.656 TIME LEFT: 1.98W GRAD.: 18.961 HEAT: -23029.60 CYCLE: 97 TIME: 111.531 TIME LEFT: 1.98W GRAD.: 18.524 HEAT: -23030.18 CYCLE: 98 TIME: 122.148 TIME LEFT: 1.98W GRAD.: 26.635 HEAT: -23030.86 CYCLE: 99 TIME: 132.047 TIME LEFT: 1.98W GRAD.: 33.207 HEAT: -23030.48 CYCLE: 100 TIME: 101.953 TIME LEFT: 1.98W GRAD.: 27.066 HEAT: -23031.39 CYCLE: 101 TIME: 109.352 TIME LEFT: 1.98W GRAD.: 21.342 HEAT: -23033.10 CYCLE: 102 TIME: 112.945 TIME LEFT: 1.98W GRAD.: 19.193 HEAT: -23034.07 CYCLE: 103 TIME: 110.539 TIME LEFT: 1.98W GRAD.: 19.209 HEAT: -23035.68 CYCLE: 104 TIME: 113.273 TIME LEFT: 1.98W GRAD.: 19.365 HEAT: -23036.34 CYCLE: 105 TIME: 121.195 TIME LEFT: 1.98W GRAD.: 21.689 HEAT: -23035.83 CYCLE: 106 TIME: 104.398 TIME LEFT: 1.98W GRAD.: 11.805 HEAT: -23037.09 CYCLE: 107 TIME: 98.062 TIME LEFT: 1.98W GRAD.: 11.073 HEAT: -23037.32 CYCLE: 108 TIME: 98.000 TIME LEFT: 1.98W GRAD.: 12.006 HEAT: -23037.49 CYCLE: 109 TIME: 101.695 TIME LEFT: 1.98W GRAD.: 11.878 HEAT: -23037.45 CYCLE: 110 TIME: 117.719 TIME LEFT: 1.98W GRAD.: 19.821 HEAT: -23037.25 CYCLE: 111 TIME: 100.695 TIME LEFT: 1.98W GRAD.: 10.955 HEAT: -23037.88 CYCLE: 112 TIME: 99.312 TIME LEFT: 1.98W GRAD.: 11.357 HEAT: -23038.22 CYCLE: 113 TIME: 103.633 TIME LEFT: 1.98W GRAD.: 11.374 HEAT: -23038.07 CYCLE: 114 TIME: 98.930 TIME LEFT: 1.98W GRAD.: 13.752 HEAT: -23038.48 CYCLE: 115 TIME: 111.172 TIME LEFT: 1.98W GRAD.: 13.230 HEAT: -23038.47 CYCLE: 116 TIME: 112.953 TIME LEFT: 1.98W GRAD.: 16.716 HEAT: -23039.66 CYCLE: 117 TIME: 111.438 TIME LEFT: 1.98W GRAD.: 14.920 HEAT: -23039.32 CYCLE: 118 TIME: 114.266 TIME LEFT: 1.98W GRAD.: 19.801 HEAT: -23040.33 CYCLE: 119 TIME: 111.273 TIME LEFT: 1.98W GRAD.: 19.321 HEAT: -23040.65 CYCLE: 120 TIME: 114.211 TIME LEFT: 1.98W GRAD.: 13.492 HEAT: -23040.50 CYCLE: 121 TIME: 100.695 TIME LEFT: 1.98W GRAD.: 11.635 HEAT: -23040.70 CYCLE: 122 TIME: 107.438 TIME LEFT: 1.98W GRAD.: 19.176 HEAT: -23041.02 CYCLE: 123 TIME: 101.867 TIME LEFT: 1.98W GRAD.: 12.515 HEAT: -23041.30 CYCLE: 124 TIME: 109.562 TIME LEFT: 1.98W GRAD.: 12.570 HEAT: -23041.75 CYCLE: 125 TIME: 100.664 TIME LEFT: 1.98W GRAD.: 9.696 HEAT: -23042.04 CYCLE: 126 TIME: 117.250 TIME LEFT: 1.98W GRAD.: 15.895 HEAT: -23042.27 RESTART FILE WRITTEN, TIME LEFT: 1.98W GRAD.: 13.586 HEAT: -23042.78 CYCLE: 128 TIME: 95.641 TIME LEFT: 1.98W GRAD.: 10.375 HEAT: -23042.54 CYCLE: 129 TIME: 104.758 TIME LEFT: 1.98W GRAD.: 10.316 HEAT: -23043.10 CYCLE: 130 TIME: 100.195 TIME LEFT: 1.98W GRAD.: 11.298 HEAT: -23042.76 CYCLE: 131 TIME: 103.508 TIME LEFT: 1.98W GRAD.: 7.888 HEAT: -23043.39 CYCLE: 132 TIME: 100.086 TIME LEFT: 1.98W GRAD.: 7.896 HEAT: -23043.30 CYCLE: 133 TIME: 101.773 TIME LEFT: 1.98W GRAD.: 11.895 HEAT: -23043.14 CYCLE: 134 TIME: 104.867 TIME LEFT: 1.97W GRAD.: 10.344 HEAT: -23043.46 CYCLE: 135 TIME: 107.953 TIME LEFT: 1.97W GRAD.: 15.742 HEAT: -23042.93 CYCLE: 136 TIME: 100.961 TIME LEFT: 1.97W GRAD.: 9.224 HEAT: -23043.26 CYCLE: 137 TIME: 97.750 TIME LEFT: 1.97W GRAD.: 7.143 HEAT: -23043.13 CYCLE: 138 TIME: 97.500 TIME LEFT: 1.97W GRAD.: 10.522 HEAT: -23043.37 CYCLE: 139 TIME: 101.039 TIME LEFT: 1.97W GRAD.: 11.718 HEAT: -23043.29 CYCLE: 140 TIME: 99.938 TIME LEFT: 1.97W GRAD.: 11.301 HEAT: -23043.21 CYCLE: 141 TIME: 100.242 TIME LEFT: 1.97W GRAD.: 13.412 HEAT: -23043.06 CYCLE: 142 TIME: 98.297 TIME LEFT: 1.97W GRAD.: 8.927 HEAT: -23043.64 CYCLE: 143 TIME: 99.203 TIME LEFT: 1.97W GRAD.: 11.974 HEAT: -23043.57 CYCLE: 144 TIME: 100.414 TIME LEFT: 1.97W GRAD.: 9.315 HEAT: -23043.91 CYCLE: 145 TIME: 98.781 TIME LEFT: 1.97W GRAD.: 10.562 HEAT: -23043.42 CYCLE: 146 TIME: 100.648 TIME LEFT: 1.97W GRAD.: 12.173 HEAT: -23043.73 CYCLE: 147 TIME: 98.109 TIME LEFT: 1.97W GRAD.: 11.463 HEAT: -23043.38 CYCLE: 148 TIME: 97.180 TIME LEFT: 1.97W GRAD.: 10.564 HEAT: -23043.98 CYCLE: 149 TIME: 99.758 TIME LEFT: 1.97W GRAD.: 8.283 HEAT: -23044.10 CYCLE: 150 TIME: 118.375 TIME LEFT: 1.97W GRAD.: 18.890 HEAT: -23043.66 CYCLE: 151 TIME: 108.516 TIME LEFT: 1.97W GRAD.: 12.654 HEAT: -23044.19 CYCLE: 152 TIME: 100.414 TIME LEFT: 1.97W GRAD.: 9.213 HEAT: -23043.99 CYCLE: 153 TIME: 89.797 TIME LEFT: 1.97W GRAD.: 7.981 HEAT: -23044.03 CYCLE: 154 TIME: 98.180 TIME LEFT: 1.97W GRAD.: 12.957 HEAT: -23044.28 CYCLE: 155 TIME: 103.633 TIME LEFT: 1.97W GRAD.: 10.361 HEAT: -23044.30 CYCLE: 156 TIME: 101.695 TIME LEFT: 1.97W GRAD.: 13.546 HEAT: -23044.31 CYCLE: 157 TIME: 98.969 TIME LEFT: 1.97W GRAD.: 10.139 HEAT: -23044.60 CYCLE: 158 TIME: 103.414 TIME LEFT: 1.97W GRAD.: 7.926 HEAT: -23044.84 CYCLE: 159 TIME: 97.297 TIME LEFT: 1.97W GRAD.: 11.157 HEAT: -23044.83 CYCLE: 160 TIME: 94.805 TIME LEFT: 1.97W GRAD.: 10.567 HEAT: -23044.70 CYCLE: 161 TIME: 100.852 TIME LEFT: 1.97W GRAD.: 7.551 HEAT: -23044.73 CYCLE: 162 TIME: 99.234 TIME LEFT: 1.97W GRAD.: 10.360 HEAT: -23044.77 CYCLE: 163 TIME: 101.352 TIME LEFT: 1.97W GRAD.: 10.816 HEAT: -23044.90 CYCLE: 164 TIME: 99.047 TIME LEFT: 1.97W GRAD.: 7.523 HEAT: -23044.59 CYCLE: 165 TIME: 100.773 TIME LEFT: 1.97W GRAD.: 11.112 HEAT: -23044.58 CYCLE: 166 TIME: 102.445 TIME LEFT: 1.97W GRAD.: 8.210 HEAT: -23044.74 CYCLE: 167 TIME: 100.133 TIME LEFT: 1.97W GRAD.: 11.204 HEAT: -23044.98 CYCLE: 168 TIME: 104.523 TIME LEFT: 1.97W GRAD.: 10.283 HEAT: -23044.74 CYCLE: 169 TIME: 99.234 TIME LEFT: 1.97W GRAD.: 13.410 HEAT: -23045.26 CYCLE: 170 TIME: 93.516 TIME LEFT: 1.97W GRAD.: 10.717 HEAT: -23045.41 CYCLE: 171 TIME: 81.828 TIME LEFT: 1.97W GRAD.: 8.120 HEAT: -23044.81 CYCLE: 172 TIME: 82.383 TIME LEFT: 1.97W GRAD.: 7.767 HEAT: -23044.82 CYCLE: 173 TIME: 98.125 TIME LEFT: 1.97W GRAD.: 14.524 HEAT: -23045.11 CYCLE: 174 TIME: 102.195 TIME LEFT: 1.97W GRAD.: 10.746 HEAT: -23045.18 CYCLE: 175 TIME: 87.734 TIME LEFT: 1.97W GRAD.: 9.965 HEAT: -23044.97 CYCLE: 176 TIME: 97.734 TIME LEFT: 1.97W GRAD.: 9.864 HEAT: -23045.20 CYCLE: 177 TIME: 93.055 TIME LEFT: 1.97W GRAD.: 12.098 HEAT: -23045.04 CYCLE: 178 TIME: 102.648 TIME LEFT: 1.97W GRAD.: 7.268 HEAT: -23045.25 CYCLE: 179 TIME: 82.086 TIME LEFT: 1.97W GRAD.: 10.793 HEAT: -23045.14 CYCLE: 180 TIME: 84.703 TIME LEFT: 1.97W GRAD.: 12.459 HEAT: -23045.16 CYCLE: 181 TIME: 101.000 TIME LEFT: 1.97W GRAD.: 11.341 HEAT: -23045.72 CYCLE: 182 TIME: 105.828 TIME LEFT: 1.97W GRAD.: 10.243 HEAT: -23045.53 CYCLE: 183 TIME: 81.461 TIME LEFT: 1.97W GRAD.: 7.383 HEAT: -23045.12 CYCLE: 184 TIME: 82.305 TIME LEFT: 1.97W GRAD.: 6.861 HEAT: -23045.37 CYCLE: 185 TIME: 78.969 TIME LEFT: 1.97W GRAD.: 10.897 HEAT: -23045.23 CYCLE: 186 TIME: 85.164 TIME LEFT: 1.97W GRAD.: 10.582 HEAT: -23045.20 CYCLE: 187 TIME: 99.648 TIME LEFT: 1.97W GRAD.: 13.671 HEAT: -23045.31 CYCLE: 188 TIME: 102.047 TIME LEFT: 1.97W GRAD.: 9.794 HEAT: -23045.35 CYCLE: 189 TIME: 78.461 TIME LEFT: 1.97W GRAD.: 11.800 HEAT: -23045.28 CYCLE: 190 TIME: 83.727 TIME LEFT: 1.97W GRAD.: 10.375 HEAT: -23045.13 CYCLE: 191 TIME: 99.625 TIME LEFT: 1.97W GRAD.: 13.140 HEAT: -23045.97 CYCLE: 192 TIME: 78.406 TIME LEFT: 1.97W GRAD.: 10.238 HEAT: -23045.53 CYCLE: 193 TIME: 100.523 TIME LEFT: 1.97W GRAD.: 12.815 HEAT: -23045.32 CYCLE: 194 TIME: 83.867 TIME LEFT: 1.97W GRAD.: 10.342 HEAT: -23045.08 CYCLE: 195 TIME: 97.469 TIME LEFT: 1.97W GRAD.: 13.542 HEAT: -23045.42 CYCLE: 196 TIME: 93.680 TIME LEFT: 1.97W GRAD.: 7.029 HEAT: -23045.49 CYCLE: 197 TIME: 81.164 TIME LEFT: 1.96W GRAD.: 10.571 HEAT: -23045.25 CYCLE: 198 TIME: 82.539 TIME LEFT: 1.96W GRAD.: 9.816 HEAT: -23045.34 CYCLE: 199 TIME: 81.016 TIME LEFT: 1.96W GRAD.: 6.619 HEAT: -23045.54 CYCLE: 200 TIME: 82.805 TIME LEFT: 1.96W GRAD.: 9.996 HEAT: -23045.50 CYCLE: 201 TIME: 78.422 TIME LEFT: 1.96W GRAD.: 9.479 HEAT: -23045.28 CYCLE: 202 TIME: 100.227 TIME LEFT: 1.96W GRAD.: 13.195 HEAT: -23045.51 RESTART FILE WRITTEN, TIME LEFT: 1.96W GRAD.: 10.131 HEAT: -23045.47 CYCLE: 204 TIME: 99.039 TIME LEFT: 1.96W GRAD.: 14.796 HEAT: -23044.86 CYCLE: 205 TIME: 88.094 TIME LEFT: 1.96W GRAD.: 8.192 HEAT: -23045.73 CYCLE: 206 TIME: 82.742 TIME LEFT: 1.96W GRAD.: 9.538 HEAT: -23045.45 CYCLE: 207 TIME: 80.297 TIME LEFT: 1.96W GRAD.: 9.514 HEAT: -23045.23 CYCLE: 208 TIME: 80.648 TIME LEFT: 1.96W GRAD.: 6.347 HEAT: -23045.53 CYCLE: 209 TIME: 78.703 TIME LEFT: 1.96W GRAD.: 9.171 HEAT: -23045.49 CYCLE: 210 TIME: 81.930 TIME LEFT: 1.96W GRAD.: 5.841 HEAT: -23045.30 CYCLE: 211 TIME: 80.703 TIME LEFT: 1.96W GRAD.: 9.311 HEAT: -23045.36 CYCLE: 212 TIME: 82.977 TIME LEFT: 1.96W GRAD.: 8.958 HEAT: -23045.46 CYCLE: 213 TIME: 97.375 TIME LEFT: 1.96W GRAD.: 12.075 HEAT: -23045.28 CYCLE: 214 TIME: 101.711 TIME LEFT: 1.96W GRAD.: 10.018 HEAT: -23045.43 CYCLE: 215 TIME: 101.227 TIME LEFT: 1.96W GRAD.: 11.486 HEAT: -23045.21 CYCLE: 216 TIME: 98.266 TIME LEFT: 1.96W GRAD.: 10.328 HEAT: -23045.31 CYCLE: 217 TIME: 103.086 TIME LEFT: 1.96W GRAD.: 5.980 HEAT: -23045.80 CYCLE: 218 TIME: 79.672 TIME LEFT: 1.96W GRAD.: 9.684 HEAT: -23045.29 CYCLE: 219 TIME: 81.852 TIME LEFT: 1.96W GRAD.: 6.115 HEAT: -23045.23 CYCLE: 220 TIME: 78.984 TIME LEFT: 1.96W GRAD.: 5.788 HEAT: -23045.42 CYCLE: 221 TIME: 86.344 TIME LEFT: 1.96W GRAD.: 11.551 HEAT: -23045.36 CYCLE: 222 TIME: 81.242 TIME LEFT: 1.96W GRAD.: 9.186 HEAT: -23045.58 CYCLE: 223 TIME: 81.062 TIME LEFT: 1.96W GRAD.: 9.739 HEAT: -23045.37 CYCLE: 224 TIME: 77.906 TIME LEFT: 1.96W GRAD.: 5.839 HEAT: -23045.48 CYCLE: 225 TIME: 103.430 TIME LEFT: 1.96W GRAD.: 5.777 HEAT: -23045.82 CYCLE: 226 TIME: 79.820 TIME LEFT: 1.96W GRAD.: 12.420 HEAT: -23045.26 CYCLE: 227 TIME: 77.984 TIME LEFT: 1.96W GRAD.: 9.210 HEAT: -23045.40 CYCLE: 228 TIME: 82.227 TIME LEFT: 1.96W GRAD.: 8.435 HEAT: -23045.21 CYCLE: 229 TIME: 80.562 TIME LEFT: 1.96W GRAD.: 8.898 HEAT: -23045.44 CYCLE: 230 TIME: 81.602 TIME LEFT: 1.96W GRAD.: 10.776 HEAT: -23045.14 CYCLE: 231 TIME: 78.125 TIME LEFT: 1.96W GRAD.: 8.922 HEAT: -23045.50 CYCLE: 232 TIME: 80.688 TIME LEFT: 1.96W GRAD.: 9.177 HEAT: -23045.01 CYCLE: 233 TIME: 77.688 TIME LEFT: 1.96W GRAD.: 9.734 HEAT: -23045.46 CYCLE: 234 TIME: 83.570 TIME LEFT: 1.96W GRAD.: 7.312 HEAT: -23045.13 CYCLE: 235 TIME: 80.977 TIME LEFT: 1.96W GRAD.: 9.051 HEAT: -23045.45 CYCLE: 236 TIME: 79.219 TIME LEFT: 1.96W GRAD.: 10.518 HEAT: -23045.55 CYCLE: 237 TIME: 78.281 TIME LEFT: 1.96W GRAD.: 5.951 HEAT: -23045.48 CYCLE: 238 TIME: 100.273 TIME LEFT: 1.96W GRAD.: 9.309 HEAT: -23045.66 CYCLE: 239 TIME: 98.234 TIME LEFT: 1.96W GRAD.: 11.228 HEAT: -23045.62 CYCLE: 240 TIME: 78.109 TIME LEFT: 1.96W GRAD.: 9.606 HEAT: -23044.75 CYCLE: 241 TIME: 79.766 TIME LEFT: 1.96W GRAD.: 6.536 HEAT: -23045.11 CYCLE: 242 TIME: 97.453 TIME LEFT: 1.96W GRAD.: 13.021 HEAT: -23045.30 CYCLE: 243 TIME: 82.617 TIME LEFT: 1.96W GRAD.: 6.387 HEAT: -23045.40 CYCLE: 244 TIME: 79.898 TIME LEFT: 1.96W GRAD.: 11.371 HEAT: -23045.61 CYCLE: 245 TIME: 80.281 TIME LEFT: 1.96W GRAD.: 5.692 HEAT: -23045.40 CYCLE: 246 TIME: 77.875 TIME LEFT: 1.96W GRAD.: 5.586 HEAT: -23045.60 CYCLE: 247 TIME: 82.055 TIME LEFT: 1.96W GRAD.: 12.094 HEAT: -23045.32 CYCLE: 248 TIME: 80.250 TIME LEFT: 1.96W GRAD.: 8.791 HEAT: -23045.48 CYCLE: 249 TIME: 97.062 TIME LEFT: 1.96W GRAD.: 8.112 HEAT: -23045.08 CYCLE: 250 TIME: 78.938 TIME LEFT: 1.96W GRAD.: 9.426 HEAT: -23045.31 CYCLE: 251 TIME: 97.719 TIME LEFT: 1.96W GRAD.: 12.171 HEAT: -23045.23 CYCLE: 252 TIME: 81.164 TIME LEFT: 1.96W GRAD.: 7.023 HEAT: -23045.35 CYCLE: 253 TIME: 83.430 TIME LEFT: 1.96W GRAD.: 9.116 HEAT: -23045.58 CYCLE: 254 TIME: 105.312 TIME LEFT: 1.96W GRAD.: 8.839 HEAT: -23045.68 CYCLE: 255 TIME: 101.750 TIME LEFT: 1.96W GRAD.: 11.560 HEAT: -23045.21 CYCLE: 256 TIME: 98.133 TIME LEFT: 1.96W GRAD.: 10.351 HEAT: -23044.94 CYCLE: 257 TIME: 80.219 TIME LEFT: 1.96W GRAD.: 7.071 HEAT: -23045.41 CYCLE: 258 TIME: 81.523 TIME LEFT: 1.96W GRAD.: 6.083 HEAT: -23045.52 CYCLE: 259 TIME: 79.031 TIME LEFT: 1.96W GRAD.: 12.574 HEAT: -23045.00 CYCLE: 260 TIME: 78.688 TIME LEFT: 1.96W GRAD.: 8.245 HEAT: -23045.17 CYCLE: 261 TIME: 96.234 TIME LEFT: 1.96W GRAD.: 11.130 HEAT: -23045.11 CYCLE: 262 TIME: 97.703 TIME LEFT: 1.96W GRAD.: 6.409 HEAT: -23045.67 CYCLE: 263 TIME: 99.969 TIME LEFT: 1.96W GRAD.: 12.473 HEAT: -23044.90 CYCLE: 264 TIME: 97.453 TIME LEFT: 1.96W GRAD.: 8.067 HEAT: -23045.13 CYCLE: 265 TIME: 98.641 TIME LEFT: 1.96W GRAD.: 11.120 HEAT: -23045.09 CYCLE: 266 TIME: 96.609 TIME LEFT: 1.95W GRAD.: 12.150 HEAT: -23045.74 CYCLE: 267 TIME: 96.016 TIME LEFT: 1.95W GRAD.: 27.362 HEAT: -23045.24 CYCLE: 268 TIME: 89.812 TIME LEFT: 1.95W GRAD.: 50.392 HEAT: -23044.15 CYCLE: 269 TIME: 97.656 TIME LEFT: 1.95W GRAD.: 34.467 HEAT: -23044.98 CYCLE: 270 TIME: 114.250 TIME LEFT: 1.95W GRAD.: 14.540 HEAT: -23045.84 CYCLE: 271 TIME: 115.508 TIME LEFT: 1.95W GRAD.: 11.982 HEAT: -23045.49 CYCLE: 272 TIME: 113.922 TIME LEFT: 1.95W GRAD.: 16.135 HEAT: -23046.10 CYCLE: 273 TIME: 108.625 TIME LEFT: 1.95W GRAD.: 18.684 HEAT: -23045.89 CYCLE: 274 TIME: 97.922 TIME LEFT: 1.95W GRAD.: 7.258 HEAT: -23046.12 CYCLE: 275 TIME: 106.359 TIME LEFT: 1.95W GRAD.: 13.727 HEAT: -23047.07 CYCLE: 276 TIME: 98.875 TIME LEFT: 1.95W GRAD.: 6.315 HEAT: -23047.08 CYCLE: 277 TIME: 107.766 TIME LEFT: 1.95W GRAD.: 6.771 HEAT: -23047.36 CYCLE: 278 TIME: 114.625 TIME LEFT: 1.95W GRAD.: 26.418 HEAT: -23047.97 CYCLE: 279 TIME: 107.781 TIME LEFT: 1.95W GRAD.: 49.774 HEAT: -23045.31 CYCLE: 280 TIME: 114.617 TIME LEFT: 1.95W GRAD.: 17.490 HEAT: -23047.98 CYCLE: 281 TIME: 107.969 TIME LEFT: 1.95W GRAD.: 17.453 HEAT: -23048.42 CYCLE: 282 TIME: 96.047 TIME LEFT: 1.95W GRAD.: 31.808 HEAT: -23047.48 RESTART FILE WRITTEN, TIME LEFT: 1.95W GRAD.: 7.595 HEAT: -23048.17 CYCLE: 284 TIME: 99.047 TIME LEFT: 1.95W GRAD.: 8.157 HEAT: -23048.40 CYCLE: 285 TIME: 95.984 TIME LEFT: 1.95W GRAD.: 12.396 HEAT: -23048.84 CYCLE: 286 TIME: 101.086 TIME LEFT: 1.95W GRAD.: 9.032 HEAT: -23049.07 CYCLE: 287 TIME: 97.953 TIME LEFT: 1.95W GRAD.: 7.961 HEAT: -23048.79 CYCLE: 288 TIME: 99.516 TIME LEFT: 1.95W GRAD.: 5.660 HEAT: -23048.88 CYCLE: 289 TIME: 97.938 TIME LEFT: 1.95W GRAD.: 12.501 HEAT: -23048.60 CYCLE: 290 TIME: 96.703 TIME LEFT: 1.95W GRAD.: 5.018 HEAT: -23048.59 CYCLE: 291 TIME: 91.773 TIME LEFT: 1.95W GRAD.: 4.653 HEAT: -23048.70 Starting final SCF to re-set LMO's, geometry, etc. CURRENT BEST VALUE OF HEAT OF FORMATION = -23049.071178 HTML OUTPUT noopt opt-H setpi t=2W GNORM=5 charge=-1 MOZYME eps=78.4 Optimizing the positions of the hydrogen atoms N(ATOM 1 N ALA A 3) -3.00600000 +0 8.92000000 +0 -17.61200000 +0 C(ATOM 2 CA ALA A 3) -4.03700000 +0 7.97500000 +0 -17.19400000 +0 C(ATOM 3 C ALA A 3) -3.61900000 +0 6.49700000 +0 -17.34300000 +0 O(ATOM 4 O ALA A 3) -2.68600000 +0 6.06300000 +0 -18.09100000 +0 C(ATOM 5 CB ALA A 3) -5.48900000 +0 8.24200000 +0 -17.85500000 +0 H(ATOM 6 1H ALA A 3) -2.09577060 +1 8.65715432 +1 -17.23733482 +1 H(ATOM 7 2H ALA A 3) -2.91611616 +1 8.95085308 +1 -18.62496349 +1 H(ATOM 8 HA ALA A 3) -4.18701597 +1 8.16968919 +1 -16.08571298 +1 H(ATOM 9 1HB ALA A 3) -5.74145191 +1 9.29884332 +1 -17.74033590 +1 H(ATOM 10 2HB ALA A 3) -5.47796964 +1 7.99694696 +1 -18.91847348 +1 H(ATOM 11 3HB ALA A 3) -6.24556610 +1 7.63941351 +1 -17.35289803 +1 N(ATOM 12 N SER A 4) -4.31300000 +0 5.72700000 +0 -16.54100000 +0 C(ATOM 13 CA SER A 4) -3.93800000 +0 4.38400000 +0 -16.30100000 +0 C(ATOM 14 C SER A 4) -5.21800000 +0 3.62600000 +0 -16.07100000 +0 O(ATOM 15 O SER A 4) -6.29000000 +0 4.21700000 +0 -15.91200000 +0 C(ATOM 16 CB SER A 4) -3.04100000 +0 4.32100000 +0 -15.07500000 +0 O(ATOM 17 OG SER A 4) -3.67200000 +0 4.96600000 +0 -13.98000000 +0 H(ATOM 18 H SER A 4) -5.10934990 +1 6.07691325 +1 -15.97618995 +1 H(ATOM 19 HA SER A 4) -3.37590360 +1 3.94485776 +1 -17.19349989 +1 H(ATOM 20 1HB SER A 4) -2.76795309 +1 3.28712935 +1 -14.79621967 +1 H(ATOM 21 2HB SER A 4) -2.10974950 +1 4.91577444 +1 -15.21010117 +1 H(ATOM 22 HG SER A 4) -4.43646930 +1 4.43818967 +1 -13.65711916 +1 N(ATOM 23 N ARG A 5) -5.11200000 +0 2.32600000 +0 -16.11200000 +0 C(ATOM 24 CA ARG A 5) -6.25200000 +0 1.47000000 +0 -15.97300000 +0 C(ATOM 25 C ARG A 5) -5.87100000 +0 0.50300000 +0 -14.86500000 +0 O(ATOM 26 O ARG A 5) -4.77800000 +0 -0.03600000 +0 -14.87200000 +0 C(ATOM 27 CB ARG A 5) -6.49200000 +0 0.79000000 +0 -17.31000000 +0 C(ATOM 28 CG ARG A 5) -7.63900000 +0 -0.28200000 +0 -17.37300000 +0 C(ATOM 29 CD ARG A 5) -9.02900000 +0 0.34400000 +0 -17.26800000 +0 N(ATOM 30 NE ARG A 5) -9.97100000 +0 -0.25300000 +0 -18.22200000 +0 C(ATOM 31 CZ ARG A 5) -11.05200000 +0 -0.98700000 +0 -17.93400000 +0 N(ATOM 32 NH1 ARG A 5) -11.42000000 +0 -1.27100000 +0 -16.67100000 +0 N(ATOM 33 NH2 ARG A 5) -11.79500000 +0 -1.44500000 +0 -18.95300000 +0 H(ATOM 34 H ARG A 5) -4.22861572 +1 1.85184941 +1 -16.37756899 +1 H(ATOM 35 HA ARG A 5) -7.17694815 +1 2.06754044 +1 -15.69012222 +1 H(ATOM 36 1HB ARG A 5) -6.69789594 +1 1.56380051 +1 -18.07907746 +1 H(ATOM 37 2HB ARG A 5) -5.55802275 +1 0.28064243 +1 -17.63613473 +1 H(ATOM 38 1HG ARG A 5) -7.49111027 +1 -1.03730245 +1 -16.57682812 +1 H(ATOM 39 2HG ARG A 5) -7.52948369 +1 -0.84859813 +1 -18.31909632 +1 H(ATOM 40 1HD ARG A 5) -9.40934689 +1 0.27619748 +1 -16.22173267 +1 H(ATOM 41 2HD ARG A 5) -8.98282430 +1 1.44175332 +1 -17.48661006 +1 H(ATOM 42 HE ARG A 5) -9.73380376 +1 -0.11451114 +1 -19.20350479 +1 H(ATOM 43 1HH1 ARG A 5) -11.83398107 +1 -2.15471286 +1 -16.43220927 +1 H(ATOM 44 2HH1 ARG A 5) -10.98099468 +1 -0.79335122 +1 -15.89779089 +1 H(ATOM 45 HH2 ARG A 5) -12.62341206 +1 -1.96688481 +1 -18.71295067 +1 N(ATOM 46 N LEU A 6) -6.75500000 +0 0.31900000 +0 -13.90100000 +0 C(ATOM 47 CA LEU A 6) -6.51900000 +0 -0.57800000 +0 -12.76000000 +0 C(ATOM 48 C LEU A 6) -6.71300000 +0 -2.01800000 +0 -13.08300000 +0 O(ATOM 49 O LEU A 6) -7.74400000 +0 -2.35800000 +0 -13.65000000 +0 C(ATOM 50 CB LEU A 6) -7.50200000 +0 -0.26500000 +0 -11.68100000 +0 C(ATOM 51 CG LEU A 6) -7.28000000 +0 1.06400000 +0 -10.97100000 +0 C(ATOM 52 CD1 LEU A 6) -8.50400000 +0 1.30600000 +0 -10.09200000 +0 C(ATOM 53 CD2 LEU A 6) -5.98300000 +0 1.10900000 +0 -10.21300000 +0 H(ATOM 54 H LEU A 6) -7.71152008 +1 0.69054593 +1 -13.95939179 +1 H(ATOM 55 HA LEU A 6) -5.44648977 +1 -0.38405652 +1 -12.40759704 +1 H(ATOM 56 1HB LEU A 6) -8.54369795 +1 -0.29274461 +1 -12.09231357 +1 H(ATOM 57 2HB LEU A 6) -7.50112466 +1 -1.07718013 +1 -10.91401095 +1 H(ATOM 58 HG LEU A 6) -7.25393148 +1 1.88226196 +1 -11.74638568 +1 H(ATOM 59 1HD1 LEU A 6) -9.43071541 +1 1.33296205 +1 -10.67851267 +1 H(ATOM 60 2HD1 LEU A 6) -8.61860725 +1 0.53537629 +1 -9.32214267 +1 H(ATOM 61 3HD1 LEU A 6) -8.43351998 +1 2.26674651 +1 -9.56547786 +1 H(ATOM 62 1HD2 LEU A 6) -5.10482570 +1 1.07866271 +1 -10.87600069 +1 H(ATOM 63 2HD2 LEU A 6) -5.88574326 +1 2.03932821 +1 -9.63327742 +1 H(ATOM 64 3HD2 LEU A 6) -5.88838602 +1 0.27913095 +1 -9.50443726 +1 N(ATOM 65 N TYR A 7) -5.72600000 +0 -2.85800000 +0 -12.73200000 +0 C(ATOM 66 CA TYR A 7) -5.74100000 +0 -4.29000000 +0 -12.83500000 +0 C(ATOM 67 C TYR A 7) -5.32700000 +0 -4.90200000 +0 -11.52000000 +0 O(ATOM 68 O TYR A 7) -4.71900000 +0 -4.23700000 +0 -10.65100000 +0 C(ATOM 69 CB TYR A 7) -4.77000000 +0 -4.80200000 +0 -13.89600000 +0 C(ATOM 70 CG TYR A 7) -5.15400000 +0 -4.51000000 +0 -15.30100000 +0 C(ATOM 71 CD1 TYR A 7) -4.91200000 +0 -3.24000000 +0 -15.82400000 +0 C(ATOM 72 CD2 TYR A 7) -5.64100000 +0 -5.47900000 +0 -16.13200000 +0 C(ATOM 73 CE1 TYR A 7) -5.19300000 +0 -2.94300000 +0 -17.09300000 +0 C(ATOM 74 CE2 TYR A 7) -5.95200000 +0 -5.19900000 +0 -17.45300000 +0 C(ATOM 75 CZ TYR A 7) -5.73400000 +0 -3.89100000 +0 -17.92400000 +0 O(ATOM 76 OH TYR A 7) -6.01200000 +0 -3.50000000 +0 -19.23100000 +0 H(ATOM 77 H TYR A 7) -4.85477470 +1 -2.48509121 +1 -12.29238369 +1 H(ATOM 78 HA TYR A 7) -6.79331336 +1 -4.63357675 +1 -13.11808145 +1 H(ATOM 79 1HB TYR A 7) -4.63782506 +1 -5.90380464 +1 -13.77134728 +1 H(ATOM 80 2HB TYR A 7) -3.75472646 +1 -4.37293433 +1 -13.70104301 +1 H(ATOM 81 HD1 TYR A 7) -4.50014587 +1 -2.46657875 +1 -15.15500420 +1 H(ATOM 82 HD2 TYR A 7) -5.81071484 +1 -6.49862472 +1 -15.76731732 +1 H(ATOM 83 HE1 TYR A 7) -5.00308773 +1 -1.93368675 +1 -17.48329551 +1 H(ATOM 84 HE2 TYR A 7) -6.34656791 +1 -5.96152778 +1 -18.12235139 +1 H(ATOM 85 HH TYR A 7) -5.67848383 +1 -2.57781303 +1 -19.41791401 +1 N(ATOM 86 N THR A 8) -5.68000000 +0 -6.16600000 +0 -11.33800000 +0 C(ATOM 87 CA THR A 8) -5.29900000 +0 -6.91500000 +0 -10.16000000 +0 C(ATOM 88 C THR A 8) -4.46700000 +0 -8.09500000 +0 -10.52300000 +0 O(ATOM 89 O THR A 8) -4.58600000 +0 -8.61300000 +0 -11.61300000 +0 C(ATOM 90 CB THR A 8) -6.54600000 +0 -7.43700000 +0 -9.36600000 +0 O(ATOM 91 OG1 THR A 8) -7.38800000 +0 -8.25100000 +0 -10.23400000 +0 C(ATOM 92 CG2 THR A 8) -7.36500000 +0 -6.25900000 +0 -8.81600000 +0 H(ATOM 93 H THR A 8) -6.26878705 +1 -6.67776792 +1 -12.01109352 +1 H(ATOM 94 HA THR A 8) -4.72654875 +1 -6.22534825 +1 -9.44832699 +1 H(ATOM 95 HB THR A 8) -6.20513799 +1 -8.09363369 +1 -8.53295814 +1 H(ATOM 96 HG1 THR A 8) -7.11051967 +1 -9.18256691 +1 -10.14886927 +1 H(ATOM 97 1HG2 THR A 8) -8.18506342 +1 -6.59626564 +1 -8.16502415 +1 H(ATOM 98 2HG2 THR A 8) -6.73729147 +1 -5.56981422 +1 -8.24352732 +1 H(ATOM 99 3HG2 THR A 8) -7.83511386 +1 -5.69231004 +1 -9.63272557 +1 N(ATOM 100 N LEU A 9) -3.68600000 +0 -8.59000000 +0 -9.57400000 +0 C(ATOM 101 CA LEU A 9) -2.98100000 +0 -9.81200000 +0 -9.74200000 +0 C(ATOM 102 C LEU A 9) -2.91100000 +0 -10.43400000 +0 -8.38000000 +0 O(ATOM 103 O LEU A 9) -2.52000000 +0 -9.76000000 +0 -7.40100000 +0 C(ATOM 104 CB LEU A 9) -1.57500000 +0 -9.56400000 +0 -10.30200000 +0 C(ATOM 105 CG LEU A 9) -0.71200000 +0 -10.78300000 +0 -10.54800000 +0 C(ATOM 106 CD1 LEU A 9) -1.41100000 +0 -11.72200000 +0 -11.55900000 +0 C(ATOM 107 CD2 LEU A 9) 0.67300000 +0 -10.42500000 +0 -11.00600000 +0 H(ATOM 108 H LEU A 9) -3.39261398 +1 -8.02299148 +1 -8.74718038 +1 H(ATOM 109 HA LEU A 9) -3.53740251 +1 -10.48708914 +1 -10.47379062 +1 H(ATOM 110 1HB LEU A 9) -1.03594993 +1 -8.87001003 +1 -9.61583737 +1 H(ATOM 111 2HB LEU A 9) -1.67973230 +1 -8.99537013 +1 -11.25524139 +1 H(ATOM 112 HG LEU A 9) -0.62130320 +1 -11.34950749 +1 -9.57899255 +1 H(ATOM 113 1HD1 LEU A 9) -2.25913662 +1 -12.24405423 +1 -11.11481582 +1 H(ATOM 114 2HD1 LEU A 9) -1.78005236 +1 -11.16402206 +1 -12.42907446 +1 H(ATOM 115 3HD1 LEU A 9) -0.70783117 +1 -12.46474184 +1 -11.95601932 +1 H(ATOM 116 1HD2 LEU A 9) 1.18117902 +1 -9.73790863 +1 -10.31968713 +1 H(ATOM 117 2HD2 LEU A 9) 1.30638973 +1 -11.31755530 +1 -11.10861756 +1 H(ATOM 118 3HD2 LEU A 9) 0.66987674 +1 -9.94978287 +1 -12.00222506 +1 N(ATOM 119 N VAL A 10) -3.28600000 +0 -11.72500000 +0 -8.30700000 +0 C(ATOM 120 CA VAL A 10) -3.34600000 +0 -12.43100000 +0 -7.04200000 +0 C(ATOM 121 C VAL A 10) -2.47500000 +0 -13.69800000 +0 -7.06300000 +0 O(ATOM 122 O VAL A 10) -2.61800000 +0 -14.53100000 +0 -7.95200000 +0 C(ATOM 123 CB VAL A 10) -4.78300000 +0 -12.87100000 +0 -6.72400000 +0 C(ATOM 124 CG1 VAL A 10) -4.84700000 +0 -13.72700000 +0 -5.45800000 +0 C(ATOM 125 CG2 VAL A 10) -5.82900000 +0 -11.69900000 +0 -6.81700000 +0 H(ATOM 126 H VAL A 10) -3.63669120 +1 -12.25276555 +1 -9.11746381 +1 H(ATOM 127 HA VAL A 10) -2.98772826 +1 -11.73103513 +1 -6.21993689 +1 H(ATOM 128 HB VAL A 10) -5.09099049 +1 -13.55886049 +1 -7.57274869 +1 H(ATOM 129 1HG1 VAL A 10) -4.29867827 +1 -14.66912178 +1 -5.57707739 +1 H(ATOM 130 2HG1 VAL A 10) -4.43623912 +1 -13.20317124 +1 -4.58657230 +1 H(ATOM 131 3HG1 VAL A 10) -5.88649124 +1 -13.98498893 +1 -5.21878054 +1 H(ATOM 132 1HG2 VAL A 10) -5.83362316 +1 -11.28628993 +1 -7.83013408 +1 H(ATOM 133 2HG2 VAL A 10) -6.83505601 +1 -12.07418762 +1 -6.60405399 +1 H(ATOM 134 3HG2 VAL A 10) -5.58525685 +1 -10.90667897 +1 -6.10715902 +1 N(ATOM 135 N LEU A 11) -1.54500000 +0 -13.76800000 +0 -6.12200000 +0 C(ATOM 136 CA LEU A 11) -0.69100000 +0 -14.93600000 +0 -5.88500000 +0 C(ATOM 137 C LEU A 11) -1.03500000 +0 -15.63800000 +0 -4.60000000 +0 O(ATOM 138 O LEU A 11) -0.95100000 +0 -15.04600000 +0 -3.52000000 +0 C(ATOM 139 CB LEU A 11) 0.79000000 +0 -14.48000000 +0 -5.80800000 +0 C(ATOM 140 CG LEU A 11) 1.42100000 +0 -14.14600000 +0 -7.18400000 +0 C(ATOM 141 CD1 LEU A 11) 1.29600000 +0 -15.32700000 +0 -8.20700000 +0 C(ATOM 142 CD2 LEU A 11) 0.98500000 +0 -12.89600000 +0 -7.84000000 +0 H(ATOM 143 H LEU A 11) -1.40529775 +1 -13.01305513 +1 -5.42841991 +1 H(ATOM 144 HA LEU A 11) -0.80316545 +1 -15.63720614 +1 -6.77157737 +1 H(ATOM 145 1HB LEU A 11) 1.38872487 +1 -15.27162701 +1 -5.31863581 +1 H(ATOM 146 2HB LEU A 11) 0.86645517 +1 -13.59360941 +1 -5.14342190 +1 H(ATOM 147 HG LEU A 11) 2.52657603 +1 -14.05129579 +1 -6.96190902 +1 H(ATOM 148 1HD1 LEU A 11) 1.59326909 +1 -16.27528865 +1 -7.75087487 +1 H(ATOM 149 2HD1 LEU A 11) 0.26866705 +1 -15.43397130 +1 -8.56462619 +1 H(ATOM 150 3HD1 LEU A 11) 1.93655127 +1 -15.15049166 +1 -9.07482308 +1 H(ATOM 151 1HD2 LEU A 11) 1.05369013 +1 -12.02404921 +1 -7.16979200 +1 H(ATOM 152 2HD2 LEU A 11) 1.58632279 +1 -12.65874028 +1 -8.72955300 +1 H(ATOM 153 3HD2 LEU A 11) -0.06492288 +1 -12.93660325 +1 -8.16988476 +1 N(ATOM 154 N VAL A 12) -1.39600000 +0 -16.92100000 +0 -4.71400000 +0 C(ATOM 155 CA VAL A 12) -1.62100000 +0 -17.78000000 +0 -3.62200000 +0 C(ATOM 156 C VAL A 12) -0.26300000 +0 -18.41700000 +0 -3.31100000 +0 O(ATOM 157 O VAL A 12) 0.23100000 +0 -19.27900000 +0 -4.07200000 +0 C(ATOM 158 CB VAL A 12) -2.67700000 +0 -18.83800000 +0 -3.98500000 +0 C(ATOM 159 CG1 VAL A 12) -2.91200000 +0 -19.83800000 +0 -2.81300000 +0 C(ATOM 160 CG2 VAL A 12) -4.01900000 +0 -18.11400000 +0 -4.36300000 +0 H(ATOM 161 H VAL A 12) -1.54620837 +1 -17.32687983 +1 -5.66535581 +1 H(ATOM 162 HA VAL A 12) -1.99181273 +1 -17.20314586 +1 -2.71476415 +1 H(ATOM 163 HB VAL A 12) -2.32683215 +1 -19.42242293 +1 -4.87110814 +1 H(ATOM 164 1HG1 VAL A 12) -1.98736522 +1 -20.38303510 +1 -2.58976104 +1 H(ATOM 165 2HG1 VAL A 12) -3.23320204 +1 -19.31896536 +1 -1.90684319 +1 H(ATOM 166 3HG1 VAL A 12) -3.68539941 +1 -20.56477975 +1 -3.08073865 +1 H(ATOM 167 1HG2 VAL A 12) -3.88389458 +1 -17.47937856 +1 -5.24574104 +1 H(ATOM 168 2HG2 VAL A 12) -4.79148093 +1 -18.84924916 +1 -4.60224553 +1 H(ATOM 169 3HG2 VAL A 12) -4.37595098 +1 -17.49131112 +1 -3.54136335 +1 N(ATOM 170 N LEU A 13) 0.38000000 +0 -17.91700000 +0 -2.26800000 +0 C(ATOM 171 CA LEU A 13) 1.71600000 +0 -18.32300000 +0 -1.87300000 +0 C(ATOM 172 C LEU A 13) 1.61600000 +0 -18.97800000 +0 -0.50800000 +0 O(ATOM 173 O LEU A 13) 1.26800000 +0 -18.31800000 +0 0.51500000 +0 C(ATOM 174 CB LEU A 13) 2.61300000 +0 -17.13400000 +0 -1.80500000 +0 C(ATOM 175 CG LEU A 13) 4.08500000 +0 -17.29300000 +0 -1.35100000 +0 C(ATOM 176 CD1 LEU A 13) 4.77700000 +0 -18.32100000 +0 -2.23200000 +0 C(ATOM 177 CD2 LEU A 13) 4.70600000 +0 -15.92600000 +0 -1.47400000 +0 H(ATOM 178 H LEU A 13) -0.02553547 +1 -17.13666996 +1 -1.72321526 +1 H(ATOM 179 HA LEU A 13) 2.11445599 +1 -19.06298215 +1 -2.64416990 +1 H(ATOM 180 1HB LEU A 13) 2.61888249 +1 -16.63614297 +1 -2.80516755 +1 H(ATOM 181 2HB LEU A 13) 2.14881555 +1 -16.37224136 +1 -1.12629024 +1 H(ATOM 182 HG LEU A 13) 4.10800890 +1 -17.63498175 +1 -0.28654099 +1 H(ATOM 183 1HD1 LEU A 13) 4.36206167 +1 -19.32830150 +1 -2.08038552 +1 H(ATOM 184 2HD1 LEU A 13) 4.68954477 +1 -18.07588536 +1 -3.29538563 +1 H(ATOM 185 3HD1 LEU A 13) 5.84883177 +1 -18.39070260 +1 -1.99740257 +1 H(ATOM 186 1HD2 LEU A 13) 4.16551954 +1 -15.16696548 +1 -0.89305706 +1 H(ATOM 187 2HD2 LEU A 13) 5.74180640 +1 -15.91724014 +1 -1.10389239 +1 H(ATOM 188 3HD2 LEU A 13) 4.73395606 +1 -15.56772434 +1 -2.51168044 +1 N(ATOM 189 N GLN A 14) 1.93900000 +0 -20.26700000 +0 -0.50000000 +0 C(ATOM 190 CA GLN A 14) 1.87600000 +0 -21.11200000 +0 0.68200000 +0 C(ATOM 191 C GLN A 14) 3.34900000 +0 -21.37200000 +0 1.03700000 +0 O(ATOM 192 O GLN A 14) 4.21700000 +0 -21.01400000 +0 0.23500000 +0 C(ATOM 193 CB GLN A 14) 1.07400000 +0 -22.36300000 +0 0.38200000 +0 C(ATOM 194 CG GLN A 14) -0.41800000 +0 -22.05300000 +0 0.13800000 +0 C(ATOM 195 CD GLN A 14) -1.31300000 +0 -23.23900000 +0 0.04500000 +0 O(ATOM 196 OE1 GLN A 14) -0.88100000 +0 -24.38500000 +0 -0.18100000 +0 N(ATOM 197 NE2 GLN A 14) -2.59900000 +0 -22.98800000 +0 0.23300000 +0 H(ATOM 198 H GLN A 14) 2.39546664 +1 -20.70940612 +1 -1.31561743 +1 H(ATOM 199 HA GLN A 14) 1.40316214 +1 -20.53882250 +1 1.53516262 +1 H(ATOM 200 1HB GLN A 14) 1.48515418 +1 -22.88653980 +1 -0.51373382 +1 H(ATOM 201 2HB GLN A 14) 1.17222003 +1 -23.10176071 +1 1.20424095 +1 H(ATOM 202 1HG GLN A 14) -0.48863609 +1 -21.48141633 +1 -0.82345293 +1 H(ATOM 203 2HG GLN A 14) -0.77415701 +1 -21.33175307 +1 0.90306364 +1 H(ATOM 204 1HE2 GLN A 14) -3.28141500 +1 -23.74016724 +1 0.24683572 +1 H(ATOM 205 2HE2 GLN A 14) -2.94635934 +1 -22.09819308 +1 0.53540114 +1 N(ATOM 206 N PRO A 15) 3.63100000 +0 -21.94900000 +0 2.21500000 +0 C(ATOM 207 CA PRO A 15) 5.02700000 +0 -21.97800000 +0 2.64600000 +0 C(ATOM 208 C PRO A 15) 6.02700000 +0 -22.62100000 +0 1.65800000 +0 O(ATOM 209 O PRO A 15) 7.17300000 +0 -22.14600000 +0 1.59500000 +0 C(ATOM 210 CB PRO A 15) 4.96800000 +0 -22.76300000 +0 3.95600000 +0 C(ATOM 211 CG PRO A 15) 3.55300000 +0 -22.40300000 +0 4.46100000 +0 C(ATOM 212 CD PRO A 15) 2.74400000 +0 -22.53100000 +0 3.24900000 +0 H(ATOM 213 HA PRO A 15) 5.38380427 +1 -20.91826481 +1 2.81525742 +1 H(ATOM 214 1HB PRO A 15) 5.08286661 +1 -23.85245761 +1 3.81664784 +1 H(ATOM 215 2HB PRO A 15) 5.75569937 +1 -22.46273853 +1 4.66834817 +1 H(ATOM 216 1HG PRO A 15) 3.53650482 +1 -21.38554295 +1 4.90569252 +1 H(ATOM 217 2HG PRO A 15) 3.23353175 +1 -23.07444837 +1 5.28516255 +1 H(ATOM 218 1HD PRO A 15) 2.50800066 +1 -23.59340171 +1 2.97921111 +1 H(ATOM 219 2HD PRO A 15) 1.77637797 +1 -21.98027771 +1 3.29296728 +1 N(ATOM 220 N GLN A 16) 5.59800000 +0 -23.67400000 +0 0.92300000 +0 C(ATOM 221 CA GLN A 16) 6.45400000 +0 -24.38500000 +0 -0.02000000 +0 C(ATOM 222 C GLN A 16) 5.90500000 +0 -24.41200000 +0 -1.48200000 +0 O(ATOM 223 O GLN A 16) 6.38300000 +0 -25.17900000 +0 -2.31700000 +0 C(ATOM 224 CB GLN A 16) 6.71200000 +0 -25.81700000 +0 0.46600000 +0 C(ATOM 225 CG GLN A 16) 7.37300000 +0 -25.89600000 +0 1.88300000 +0 C(ATOM 226 CD GLN A 16) 7.72100000 +0 -27.32800000 +0 2.36800000 +0 O(ATOM 227 OE1 GLN A 16) 7.01100000 +0 -28.28500000 +0 2.06600000 +0 N(ATOM 228 NE2 GLN A 16) 8.79400000 +0 -27.45400000 +0 3.17200000 +0 H(ATOM 229 H GLN A 16) 4.66823537 +1 -24.09174641 +1 1.06650682 +1 H(ATOM 230 HA GLN A 16) 7.44764222 +1 -23.83706216 +1 -0.08748652 +1 H(ATOM 231 1HB GLN A 16) 5.76266332 +1 -26.39450720 +1 0.48678600 +1 H(ATOM 232 2HB GLN A 16) 7.35648856 +1 -26.34574028 +1 -0.26353050 +1 H(ATOM 233 1HG GLN A 16) 6.68182673 +1 -25.46198481 +1 2.63456228 +1 H(ATOM 234 2HG GLN A 16) 8.27986912 +1 -25.25955708 +1 1.89004687 +1 H(ATOM 235 1HE2 GLN A 16) 9.07144156 +1 -28.34784618 +1 3.54933652 +1 H(ATOM 236 2HE2 GLN A 16) 9.38891995 +1 -26.67892046 +1 3.42115643 +1 N(ATOM 237 N ARG A 17) 4.97000000 +0 -23.55000000 +0 -1.82100000 +0 C(ATOM 238 CA ARG A 17) 4.40800000 +0 -23.62000000 +0 -3.18200000 +0 C(ATOM 239 C ARG A 17) 3.59000000 +0 -22.40800000 +0 -3.47600000 +0 O(ATOM 240 O ARG A 17) 3.12800000 +0 -21.72800000 +0 -2.56600000 +0 C(ATOM 241 CB ARG A 17) 3.57500000 +0 -24.89200000 +0 -3.35400000 +0 C(ATOM 242 CG ARG A 17) 2.34800000 +0 -25.01000000 +0 -2.42300000 +0 C(ATOM 243 CD ARG A 17) 1.53500000 +0 -26.27100000 +0 -2.68200000 +0 N(ATOM 244 NE ARG A 17) 0.21100000 +0 -26.21100000 +0 -2.03300000 +0 C(ATOM 245 CZ ARG A 17) -0.73000000 +0 -27.10400000 +0 -2.20700000 +0 N(ATOM 246 NH1 ARG A 17) -0.48500000 +0 -28.14800000 +0 -2.99900000 +0 N(ATOM 247 NH2 ARG A 17) -1.89700000 +0 -26.97500000 +0 -1.56600000 +0 H(ATOM 248 H ARG A 17) 4.53378907 +1 -22.87292463 +1 -1.18503746 +1 H(ATOM 249 HA ARG A 17) 5.28888280 +1 -23.68667283 +1 -3.90591804 +1 H(ATOM 250 1HB ARG A 17) 3.24613415 +1 -24.96124005 +1 -4.41181410 +1 H(ATOM 251 2HB ARG A 17) 4.24043490 +1 -25.77498928 +1 -3.18485181 +1 H(ATOM 252 1HG ARG A 17) 1.70858805 +1 -24.10866382 +1 -2.54577219 +1 H(ATOM 253 2HG ARG A 17) 2.68788352 +1 -24.98984176 +1 -1.36491243 +1 H(ATOM 254 1HD ARG A 17) 1.39736988 +1 -26.40523046 +1 -3.78589419 +1 H(ATOM 255 2HD ARG A 17) 2.08708056 +1 -27.16707363 +1 -2.30451118 +1 H(ATOM 256 HE ARG A 17) 0.00036197 +1 -25.35031797 +1 -1.51559757 +1 H(ATOM 257 1HH1 ARG A 17) -1.24877498 +1 -28.75325825 +1 -3.29247351 +1 H(ATOM 258 2HH1 ARG A 17) 0.30911252 +1 -28.20665504 +1 -3.62454210 +1 H(ATOM 259 HH2 ARG A 17) -2.64227869 +1 -27.57607060 +1 -1.87898455 +1 N(ATOM 260 N VAL A 18) 3.39100000 +0 -22.14700000 +0 -4.75900000 +0 C(ATOM 261 CA VAL A 18) 2.68300000 +0 -21.02600000 +0 -5.24600000 +0 C(ATOM 262 C VAL A 18) 1.82400000 +0 -21.53100000 +0 -6.41200000 +0 O(ATOM 263 O VAL A 18) 2.22700000 +0 -22.45300000 +0 -7.12100000 +0 C(ATOM 264 CB VAL A 18) 3.60800000 +0 -19.89500000 +0 -5.72000000 +0 C(ATOM 265 CG1 VAL A 18) 4.52300000 +0 -20.30500000 +0 -6.85800000 +0 C(ATOM 266 CG2 VAL A 18) 2.78600000 +0 -18.67000000 +0 -6.14900000 +0 H(ATOM 267 H VAL A 18) 3.90152143 +1 -22.69567679 +1 -5.48531293 +1 H(ATOM 268 HA VAL A 18) 2.01450405 +1 -20.60423823 +1 -4.42174723 +1 H(ATOM 269 HB VAL A 18) 4.24192761 +1 -19.59934043 +1 -4.83969061 +1 H(ATOM 270 1HG1 VAL A 18) 5.17361922 +1 -21.14821386 +1 -6.58563466 +1 H(ATOM 271 2HG1 VAL A 18) 3.95710692 +1 -20.62183106 +1 -7.74624253 +1 H(ATOM 272 3HG1 VAL A 18) 5.17642016 +1 -19.48081143 +1 -7.16669586 +1 H(ATOM 273 1HG2 VAL A 18) 2.05076048 +1 -18.38540922 +1 -5.38394836 +1 H(ATOM 274 2HG2 VAL A 18) 3.43269360 +1 -17.80367517 +1 -6.32050501 +1 H(ATOM 275 3HG2 VAL A 18) 2.23123472 +1 -18.84884989 +1 -7.07939800 +1 N(ATOM 276 N LEU A 19) 0.62800000 +0 -20.98400000 +0 -6.47900000 +0 C(ATOM 277 CA LEU A 19) -0.36600000 +0 -21.37400000 +0 -7.43300000 +0 C(ATOM 278 C LEU A 19) -0.29900000 +0 -20.42000000 +0 -8.62700000 +0 O(ATOM 279 O LEU A 19) -0.33400000 +0 -19.18500000 +0 -8.45400000 +0 C(ATOM 280 CB LEU A 19) -1.74800000 +0 -21.30000000 +0 -6.82400000 +0 C(ATOM 281 CG LEU A 19) -2.82800000 +0 -21.86800000 +0 -7.75200000 +0 C(ATOM 282 CD1 LEU A 19) -2.63500000 +0 -23.35500000 +0 -8.01700000 +0 C(ATOM 283 CD2 LEU A 19) -4.25700000 +0 -21.55300000 +0 -7.14700000 +0 H(ATOM 284 H LEU A 19) 0.35470344 +1 -20.21505873 +1 -5.83953415 +1 H(ATOM 285 HA LEU A 19) -0.15411600 +1 -22.44074453 +1 -7.77635360 +1 H(ATOM 286 1HB LEU A 19) -1.76432686 +1 -21.85479176 +1 -5.85580748 +1 H(ATOM 287 2HB LEU A 19) -1.99814050 +1 -20.24707383 +1 -6.56260144 +1 H(ATOM 288 HG LEU A 19) -2.78116518 +1 -21.32611527 +1 -8.73081630 +1 H(ATOM 289 1HD1 LEU A 19) -1.79998560 +1 -23.53365591 +1 -8.70551898 +1 H(ATOM 290 2HD1 LEU A 19) -2.41475044 +1 -23.90860433 +1 -7.09250096 +1 H(ATOM 291 3HD1 LEU A 19) -3.52840131 +1 -23.80641715 +1 -8.45854051 +1 H(ATOM 292 1HD2 LEU A 19) -4.35464436 +1 -20.48757930 +1 -6.93017872 +1 H(ATOM 293 2HD2 LEU A 19) -5.03707140 +1 -21.83388428 +1 -7.85606220 +1 H(ATOM 294 3HD2 LEU A 19) -4.40114302 +1 -22.10600582 +1 -6.21664283 +1 N(ATOM 295 N LEU A 20) -0.06000000 +0 -20.98700000 +0 -9.82300000 +0 C(ATOM 296 CA LEU A 20) -0.11700000 +0 -20.20600000 +0 -11.01200000 +0 C(ATOM 297 C LEU A 20) -1.13600000 +0 -20.84300000 +0 -11.96600000 +0 O(ATOM 298 O LEU A 20) -1.49200000 +0 -21.97900000 +0 -11.85400000 +0 C(ATOM 299 CB LEU A 20) 1.27300000 +0 -20.07500000 +0 -11.67000000 +0 C(ATOM 300 CG LEU A 20) 2.38400000 +0 -19.50500000 +0 -10.76200000 +0 C(ATOM 301 CD1 LEU A 20) 3.83100000 +0 -19.61500000 +0 -11.46400000 +0 C(ATOM 302 CD2 LEU A 20) 2.16600000 +0 -18.01900000 +0 -10.46200000 +0 H(ATOM 303 H LEU A 20) -0.08306029 +1 -22.01107309 +1 -9.97758988 +1 H(ATOM 304 HA LEU A 20) -0.46156184 +1 -19.14563119 +1 -10.76902976 +1 H(ATOM 305 1HB LEU A 20) 1.60039033 +1 -21.07522981 +1 -12.03004965 +1 H(ATOM 306 2HB LEU A 20) 1.18055256 +1 -19.43520478 +1 -12.57108413 +1 H(ATOM 307 HG LEU A 20) 2.42633083 +1 -20.08620147 +1 -9.81823905 +1 H(ATOM 308 1HD1 LEU A 20) 4.05270432 +1 -20.66041236 +1 -11.68393121 +1 H(ATOM 309 2HD1 LEU A 20) 3.84026989 +1 -19.04462174 +1 -12.39161166 +1 H(ATOM 310 3HD1 LEU A 20) 4.59007140 +1 -19.22080294 +1 -10.79181954 +1 H(ATOM 311 1HD2 LEU A 20) 1.24771833 +1 -17.86985829 +1 -9.87479469 +1 H(ATOM 312 2HD2 LEU A 20) 2.99023253 +1 -17.60404551 +1 -9.87568764 +1 H(ATOM 313 3HD2 LEU A 20) 2.07418209 +1 -17.42870995 +1 -11.37863385 +1 N(ATOM 314 N GLY A 21) -1.62100000 +0 -20.03900000 +0 -12.88100000 +0 C(ATOM 315 CA GLY A 21) -2.45900000 +0 -20.48800000 +0 -13.99400000 +0 C(ATOM 316 C GLY A 21) -1.82900000 +0 -20.17700000 +0 -15.34700000 +0 O(ATOM 317 O GLY A 21) -1.17600000 +0 -19.16500000 +0 -15.54300000 +0 H(ATOM 318 H GLY A 21) -1.33959399 +1 -19.04929548 +1 -12.96516288 +1 H(ATOM 319 1HA GLY A 21) -3.44625303 +1 -19.96216207 +1 -13.93774457 +1 H(ATOM 320 2HA GLY A 21) -2.67760533 +1 -21.58488458 +1 -13.88688791 +1 N(ATOM 321 N MET A 22) -1.97400000 +0 -21.12100000 +0 -16.26000000 +0 C(ATOM 322 CA MET A 22) -1.57800000 +0 -20.95200000 +0 -17.61600000 +0 C(ATOM 323 C MET A 22) -2.70900000 +0 -20.23000000 +0 -18.27100000 +0 O(ATOM 324 O MET A 22) -3.81900000 +0 -20.75900000 +0 -18.30100000 +0 C(ATOM 325 CB MET A 22) -1.34700000 +0 -22.29500000 +0 -18.28700000 +0 C(ATOM 326 CG MET A 22) -1.12200000 +0 -22.24500000 +0 -19.76500000 +0 S(ATOM 327 SD MET A 22) 0.10500000 +0 -21.09500000 +0 -20.30800000 +0 C(ATOM 328 CE MET A 22) 1.61000000 +0 -21.80500000 +0 -19.58700000 +0 H(ATOM 329 H MET A 22) -2.47883064 +1 -22.00075315 +1 -16.04912464 +1 H(ATOM 330 HA MET A 22) -0.61456450 +1 -20.34035853 +1 -17.65381025 +1 H(ATOM 331 1HB MET A 22) -2.21204276 +1 -22.97346659 +1 -18.07252761 +1 H(ATOM 332 2HB MET A 22) -0.48749701 +1 -22.79995460 +1 -17.77261989 +1 H(ATOM 333 1HG MET A 22) -0.89559804 +1 -23.26437438 +1 -20.15242205 +1 H(ATOM 334 2HG MET A 22) -2.06782295 +1 -21.95086468 +1 -20.28589665 +1 H(ATOM 335 1HE MET A 22) 2.47778262 +1 -21.29719561 +1 -20.03436206 +1 H(ATOM 336 2HE MET A 22) 1.65429586 +1 -21.64218824 +1 -18.50206338 +1 H(ATOM 337 3HE MET A 22) 1.71302097 +1 -22.87648979 +1 -19.78269751 +1 N(ATOM 338 N LYS A 23) -2.42500000 +0 -19.02500000 +0 -18.80600000 +0 C(ATOM 339 CA LYS A 23) -3.44700000 +0 -18.20000000 +0 -19.42300000 +0 C(ATOM 340 C LYS A 23) -3.74900000 +0 -18.80600000 +0 -20.81500000 +0 O(ATOM 341 O LYS A 23) -2.86400000 +0 -18.99000000 +0 -21.64100000 +0 C(ATOM 342 CB LYS A 23) -2.93900000 +0 -16.77700000 +0 -19.58100000 +0 C(ATOM 343 CG LYS A 23) -3.96500000 +0 -15.83300000 +0 -20.12500000 +0 C(ATOM 344 CD LYS A 23) -5.03500000 +0 -15.53500000 +0 -19.04300000 +0 C(ATOM 345 CE LYS A 23) -6.06000000 +0 -14.44600000 +0 -19.41000000 +0 N(ATOM 346 NZ LYS A 23) -5.39900000 +0 -13.20300000 +0 -19.81400000 +0 H(ATOM 347 H LYS A 23) -1.49481543 +1 -18.59795731 +1 -18.67410356 +1 H(ATOM 348 HA LYS A 23) -4.38714411 +1 -18.22021575 +1 -18.79057607 +1 H(ATOM 349 1HB LYS A 23) -2.02592708 +1 -16.76947922 +1 -20.22758533 +1 H(ATOM 350 2HB LYS A 23) -2.56257974 +1 -16.40986947 +1 -18.59159462 +1 H(ATOM 351 1HG LYS A 23) -3.47555857 +1 -14.89002656 +1 -20.44800895 +1 H(ATOM 352 2HG LYS A 23) -4.46007026 +1 -16.21384021 +1 -21.04122116 +1 H(ATOM 353 1HD LYS A 23) -4.52225775 +1 -15.24510884 +1 -18.09703931 +1 H(ATOM 354 2HD LYS A 23) -5.59026205 +1 -16.46767486 +1 -18.80619345 +1 H(ATOM 355 1HE LYS A 23) -6.72523328 +1 -14.79817861 +1 -20.24388420 +1 H(ATOM 356 2HE LYS A 23) -6.72886997 +1 -14.24856833 +1 -18.53376360 +1 H(ATOM 357 1HZ LYS A 23) -4.94144238 +1 -13.27769974 +1 -20.74120015 +1 H(ATOM 358 2HZ LYS A 23) -6.07485136 +1 -12.41139573 +1 -19.85130322 +1 H(ATOM 359 3HZ LYS A 23) -4.66216788 +1 -12.94386596 +1 -19.12595212 +1 N(ATOM 360 N LYS A 24) -5.01600000 +0 -19.09400000 +0 -21.06000000 +0 C(ATOM 361 CA LYS A 24) -5.42400000 +0 -19.90700000 +0 -22.15900000 +0 C(ATOM 362 C LYS A 24) -5.87700000 +0 -19.10300000 +0 -23.39300000 +0 O(ATOM 363 O LYS A 24) -5.91300000 +0 -19.62800000 +0 -24.48400000 +0 C(ATOM 364 CB LYS A 24) -6.58100000 +0 -20.77200000 +0 -21.68300000 +0 C(ATOM 365 CG LYS A 24) -6.14800000 +0 -21.89500000 +0 -20.81400000 +0 C(ATOM 366 CD LYS A 24) -7.35200000 +0 -22.57800000 +0 -20.04900000 +0 C(ATOM 367 CE LYS A 24) -8.35000000 +0 -23.14800000 +0 -20.99100000 +0 N(ATOM 368 NZ LYS A 24) -9.31700000 +0 -23.97100000 +0 -20.28800000 +0 H(ATOM 369 H LYS A 24) -5.75700629 +1 -18.91229152 +1 -20.35639456 +1 H(ATOM 370 HA LYS A 24) -4.56699848 +1 -20.56025600 +1 -22.51291734 +1 H(ATOM 371 1HB LYS A 24) -7.13674564 +1 -21.16353941 +1 -22.57274390 +1 H(ATOM 372 2HB LYS A 24) -7.35314433 +1 -20.14583082 +1 -21.16941561 +1 H(ATOM 373 1HG LYS A 24) -5.61833914 +1 -22.67267390 +1 -21.39978456 +1 H(ATOM 374 2HG LYS A 24) -5.42662504 +1 -21.54618711 +1 -20.03762354 +1 H(ATOM 375 1HD LYS A 24) -7.81148679 +1 -21.82356336 +1 -19.37499095 +1 H(ATOM 376 2HD LYS A 24) -6.92640996 +1 -23.35177239 +1 -19.37506990 +1 H(ATOM 377 1HE LYS A 24) -8.87993092 +1 -22.32479934 +1 -21.55117898 +1 H(ATOM 378 2HE LYS A 24) -7.85037664 +1 -23.75086304 +1 -21.80050712 +1 H(ATOM 379 1HZ LYS A 24) -10.03579059 +1 -24.36312544 +1 -20.92717762 +1 H(ATOM 380 2HZ LYS A 24) -8.83882367 +1 -24.79040990 +1 -19.79939783 +1 H(ATOM 381 3HZ LYS A 24) -9.82665302 +1 -23.41465049 +1 -19.56983027 +1 N(ATOM 382 N ARG A 25) -6.17900000 +0 -17.82400000 +0 -23.19300000 +0 C(ATOM 383 CA ARG A 25) -6.65800000 +0 -16.95200000 +0 -24.22600000 +0 C(ATOM 384 C ARG A 25) -6.42700000 +0 -15.54200000 +0 -23.76600000 +0 O(ATOM 385 O ARG A 25) -6.17300000 +0 -15.30500000 +0 -22.58900000 +0 C(ATOM 386 CB ARG A 25) -8.17100000 +0 -17.18100000 +0 -24.45700000 +0 C(ATOM 387 CG ARG A 25) -9.02000000 +0 -16.89800000 +0 -23.23300000 +0 C(ATOM 388 CD ARG A 25) -10.56100000 +0 -16.95100000 +0 -23.45500000 +0 N(ATOM 389 NE ARG A 25) -11.00900000 +0 -18.30500000 +0 -23.81800000 +0 C(ATOM 390 CZ ARG A 25) -12.28100000 +0 -18.70800000 +0 -23.88800000 +0 N(ATOM 391 NH1 ARG A 25) -13.25600000 +0 -17.86000000 +0 -23.59300000 +0 N(ATOM 392 NH2 ARG A 25) -12.57000000 +0 -19.96800000 +0 -24.25400000 +0 H(ATOM 393 H ARG A 25) -6.14584898 +1 -17.39805334 +1 -22.25719272 +1 H(ATOM 394 HA ARG A 25) -6.11103294 +1 -17.16305784 +1 -25.19718086 +1 H(ATOM 395 1HB ARG A 25) -8.32255602 +1 -18.22872978 +1 -24.79953404 +1 H(ATOM 396 2HB ARG A 25) -8.50914491 +1 -16.55587742 +1 -25.31184336 +1 H(ATOM 397 1HG ARG A 25) -8.75780434 +1 -17.60478125 +1 -22.41793213 +1 H(ATOM 398 2HG ARG A 25) -8.78880830 +1 -15.88466480 +1 -22.83066169 +1 H(ATOM 399 1HD ARG A 25) -11.06111024 +1 -16.59962974 +1 -22.52260304 +1 H(ATOM 400 2HD ARG A 25) -10.84621877 +1 -16.24224821 +1 -24.26777614 +1 H(ATOM 401 HE ARG A 25) -10.29220582 +1 -19.05305695 +1 -23.74007884 +1 H(ATOM 402 1HH1 ARG A 25) -14.22461611 +1 -18.05582412 +1 -23.81753685 +1 H(ATOM 403 2HH1 ARG A 25) -13.09715347 +1 -16.87304644 +1 -23.42131819 +1 H(ATOM 404 HH2 ARG A 25) -13.55087556 +1 -20.21599566 +1 -24.27042212 +1 N(ATOM 405 N GLY A 26) -6.54000000 +0 -14.58100000 +0 -24.67600000 +0 C(ATOM 406 CA GLY A 26) -6.44800000 +0 -13.15800000 +0 -24.31900000 +0 C(ATOM 407 C GLY A 26) -5.02800000 +0 -12.68500000 +0 -24.01400000 +0 O(ATOM 408 O GLY A 26) -4.05400000 +0 -13.33000000 +0 -24.40600000 +0 H(ATOM 409 H GLY A 26) -6.72690957 +1 -14.76844875 +1 -25.67115693 +1 H(ATOM 410 1HA GLY A 26) -7.12394284 +1 -12.96062593 +1 -23.44307449 +1 H(ATOM 411 2HA GLY A 26) -6.85625265 +1 -12.54516378 +1 -25.16464616 +1 N(ATOM 412 N PHE A 27) -4.95400000 +0 -11.58900000 +0 -23.26300000 +0 C(ATOM 413 CA PHE A 27) -3.71700000 +0 -10.88500000 +0 -22.96700000 +0 C(ATOM 414 C PHE A 27) -2.77700000 +0 -11.80500000 +0 -22.16700000 +0 O(ATOM 415 O PHE A 27) -3.22800000 +0 -12.41500000 +0 -21.19900000 +0 C(ATOM 416 CB PHE A 27) -4.03100000 +0 -9.68300000 +0 -22.11600000 +0 C(ATOM 417 CG PHE A 27) -2.86500000 +0 -8.74500000 +0 -21.98100000 +0 C(ATOM 418 CD1 PHE A 27) -2.35200000 +0 -8.13100000 +0 -23.11300000 +0 C(ATOM 419 CD2 PHE A 27) -2.24400000 +0 -8.54100000 +0 -20.77500000 +0 C(ATOM 420 CE1 PHE A 27) -1.23700000 +0 -7.24100000 +0 -23.01900000 +0 C(ATOM 421 CE2 PHE A 27) -1.15000000 +0 -7.64300000 +0 -20.72300000 +0 C(ATOM 422 CZ PHE A 27) -0.67700000 +0 -7.03400000 +0 -21.86500000 +0 H(ATOM 423 H PHE A 27) -5.79848982 +1 -11.20401892 +1 -22.80356744 +1 H(ATOM 424 HA PHE A 27) -3.23367737 +1 -10.57637965 +1 -23.94227011 +1 H(ATOM 425 1HB PHE A 27) -4.40108741 +1 -9.99261534 +1 -21.10982527 +1 H(ATOM 426 2HB PHE A 27) -4.89359313 +1 -9.10826859 +1 -22.54482778 +1 H(ATOM 427 HD1 PHE A 27) -2.81168453 +1 -8.28389946 +1 -24.08679710 +1 H(ATOM 428 HD2 PHE A 27) -2.59228656 +1 -9.00957545 +1 -19.85936371 +1 H(ATOM 429 HE1 PHE A 27) -0.89878731 +1 -6.76736011 +1 -23.94805233 +1 H(ATOM 430 HE2 PHE A 27) -0.68494166 +1 -7.44518663 +1 -19.75144732 +1 H(ATOM 431 HZ PHE A 27) 0.18581130 +1 -6.34910955 +1 -21.75596765 +1 N(ATOM 432 N GLY A 28) -1.52400000 +0 -11.98400000 +0 -22.59300000 +0 C(ATOM 433 CA GLY A 28) -0.62200000 +0 -12.88700000 +0 -21.83900000 +0 C(ATOM 434 C GLY A 28) -0.88500000 +0 -14.41100000 +0 -22.06500000 +0 O(ATOM 435 O GLY A 28) -0.33800000 +0 -15.21800000 +0 -21.31100000 +0 H(ATOM 436 H GLY A 28) -1.13818467 +1 -11.55988007 +1 -23.42636754 +1 H(ATOM 437 1HA GLY A 28) -0.72727212 +1 -12.70489550 +1 -20.73939355 +1 H(ATOM 438 2HA GLY A 28) 0.43336781 +1 -12.67365700 +1 -22.12199360 +1 N(ATOM 439 N ALA A 29) -1.64500000 +0 -14.78800000 +0 -23.10400000 +0 C(ATOM 440 CA ALA A 29) -1.98300000 +0 -16.21900000 +0 -23.36500000 +0 C(ATOM 441 C ALA A 29) -0.67300000 +0 -16.90700000 +0 -23.53400000 +0 O(ATOM 442 O ALA A 29) 0.21200000 +0 -16.38600000 +0 -24.22900000 +0 C(ATOM 443 CB ALA A 29) -2.88000000 +0 -16.43900000 +0 -24.63200000 +0 H(ATOM 444 H ALA A 29) -2.19646767 +1 -14.12565155 +1 -23.65174529 +1 H(ATOM 445 HA ALA A 29) -2.56738740 +1 -16.59818129 +1 -22.47482535 +1 H(ATOM 446 1HB ALA A 29) -3.73767222 +1 -15.75158203 +1 -24.61279990 +1 H(ATOM 447 2HB ALA A 29) -2.32892364 +1 -16.23762623 +1 -25.55804975 +1 H(ATOM 448 3HB ALA A 29) -3.26215807 +1 -17.46256528 +1 -24.65701242 +1 N(ATOM 449 N GLY A 30) -0.52900000 +0 -18.04000000 +0 -22.86800000 +0 C(ATOM 450 CA GLY A 30) 0.59800000 +0 -18.91500000 +0 -23.01300000 +0 C(ATOM 451 C GLY A 30) 1.66200000 +0 -18.69900000 +0 -21.94700000 +0 O(ATOM 452 O GLY A 30) 2.64700000 +0 -19.44000000 +0 -21.97900000 +0 H(ATOM 453 H GLY A 30) -1.26752849 +1 -18.38213554 +1 -22.22360917 +1 H(ATOM 454 1HA GLY A 30) 1.08992985 +1 -18.78742512 +1 -24.01861138 +1 H(ATOM 455 2HA GLY A 30) 0.27406812 +1 -19.98995678 +1 -22.97998005 +1 N(ATOM 456 N ARG A 31) 1.43300000 +0 -17.77200000 +0 -20.98200000 +0 C(ATOM 457 CA ARG A 31) 2.30400000 +0 -17.54800000 +0 -19.79400000 +0 C(ATOM 458 C ARG A 31) 1.58900000 +0 -17.89900000 +0 -18.52100000 +0 O(ATOM 459 O ARG A 31) 0.34400000 +0 -17.64700000 +0 -18.38100000 +0 C(ATOM 460 CB ARG A 31) 2.76300000 +0 -16.10800000 +0 -19.76600000 +0 C(ATOM 461 CG ARG A 31) 3.74100000 +0 -15.84700000 +0 -20.93000000 +0 C(ATOM 462 CD ARG A 31) 3.85700000 +0 -14.38800000 +0 -21.23600000 +0 N(ATOM 463 NE ARG A 31) 5.08800000 +0 -14.20300000 +0 -22.00000000 +0 C(ATOM 464 CZ ARG A 31) 5.46100000 +0 -13.06300000 +0 -22.56300000 +0 N(ATOM 465 NH1 ARG A 31) 4.70900000 +0 -12.01500000 +0 -22.44900000 +0 N(ATOM 466 NH2 ARG A 31) 6.58800000 +0 -13.00900000 +0 -23.24300000 +0 H(ATOM 467 H ARG A 31) 0.65501288 +1 -17.11185477 +1 -21.04575138 +1 H(ATOM 468 HA ARG A 31) 3.20967814 +1 -18.23043678 +1 -19.92513528 +1 H(ATOM 469 1HB ARG A 31) 1.88423267 +1 -15.42078233 +1 -19.82772982 +1 H(ATOM 470 2HB ARG A 31) 3.23442147 +1 -15.85817751 +1 -18.79343025 +1 H(ATOM 471 1HG ARG A 31) 3.40569780 +1 -16.40509508 +1 -21.83430565 +1 H(ATOM 472 2HG ARG A 31) 4.72543063 +1 -16.29560470 +1 -20.65971949 +1 H(ATOM 473 1HD ARG A 31) 2.96823430 +1 -14.03081520 +1 -21.81495337 +1 H(ATOM 474 2HD ARG A 31) 3.89379458 +1 -13.77497541 +1 -20.29613568 +1 H(ATOM 475 HE ARG A 31) 5.61238154 +1 -15.08556481 +1 -22.20579649 +1 H(ATOM 476 1HH1 ARG A 31) 5.00907080 +1 -11.10486767 +1 -22.83481122 +1 H(ATOM 477 2HH1 ARG A 31) 3.93102715 +1 -11.93776689 +1 -21.80157971 +1 H(ATOM 478 1HH2 ARG A 31) 6.79294386 +1 -12.22911167 +1 -23.89866216 +1 H(ATOM 479 2HH2 ARG A 31) 7.06840965 +1 -13.87217941 +1 -23.50151669 +1 N(ATOM 480 N TRP A 32) 2.31900000 +0 -18.59400000 +0 -17.63700000 +0 C(ATOM 481 CA TRP A 32) 1.85300000 +0 -18.81500000 +0 -16.29600000 +0 C(ATOM 482 C TRP A 32) 1.72000000 +0 -17.45300000 +0 -15.59000000 +0 O(ATOM 483 O TRP A 32) 2.54200000 +0 -16.56600000 +0 -15.79300000 +0 C(ATOM 484 CB TRP A 32) 2.86500000 +0 -19.69100000 +0 -15.52600000 +0 C(ATOM 485 CG TRP A 32) 2.99000000 +0 -21.06000000 +0 -16.07000000 +0 C(ATOM 486 CD1 TRP A 32) 3.93400000 +0 -21.54400000 +0 -16.91100000 +0 N(ATOM 487 NE1 TRP A 32) 3.70600000 +0 -22.87000000 +0 -17.15900000 +0 C(ATOM 488 CD2 TRP A 32) 2.08600000 +0 -22.13000000 +0 -15.82100000 +0 C(ATOM 489 CE2 TRP A 32) 2.53900000 +0 -23.23100000 +0 -16.54500000 +0 C(ATOM 490 CE3 TRP A 32) 0.91000000 +0 -22.24800000 +0 -15.06100000 +0 C(ATOM 491 CZ2 TRP A 32) 1.88400000 +0 -24.45400000 +0 -16.49300000 +0 C(ATOM 492 CZ3 TRP A 32) 0.25500000 +0 -23.44900000 +0 -15.06500000 +0 C(ATOM 493 CH2 TRP A 32) 0.73800000 +0 -24.52000000 +0 -15.78900000 +0 H(ATOM 494 H TRP A 32) 3.33048841 +1 -18.70680714 +1 -17.78364681 +1 H(ATOM 495 HA TRP A 32) 0.84436487 +1 -19.33205003 +1 -16.33278193 +1 H(ATOM 496 1HB TRP A 32) 2.55391188 +1 -19.74274906 +1 -14.45608785 +1 H(ATOM 497 2HB TRP A 32) 3.85849801 +1 -19.18773268 +1 -15.51006858 +1 H(ATOM 498 HD1 TRP A 32) 4.78509900 +1 -21.02900584 +1 -17.33887552 +1 H(ATOM 499 HE1 TRP A 32) 4.32231522 +1 -23.46778838 +1 -17.68808402 +1 H(ATOM 500 HE3 TRP A 32) 0.54717301 +1 -21.39503878 +1 -14.49216166 +1 H(ATOM 501 HZ2 TRP A 32) 2.28727181 +1 -25.31408743 +1 -17.03343175 +1 H(ATOM 502 HZ3 TRP A 32) -0.67947877 +1 -23.56290210 +1 -14.50113680 +1 H(ATOM 503 HH2 TRP A 32) 0.16061080 +1 -25.45611247 +1 -15.77339708 +1 N(ATOM 504 N ASN A 33) 0.78100000 +0 -17.33200000 +0 -14.67300000 +0 C(ATOM 505 CA ASN A 33) 0.62600000 +0 -16.08000000 +0 -13.97300000 +0 C(ATOM 506 C ASN A 33) -0.25900000 +0 -16.29300000 +0 -12.80700000 +0 O(ATOM 507 O ASN A 33) -0.94000000 +0 -17.32400000 +0 -12.67100000 +0 C(ATOM 508 CB ASN A 33) -0.01300000 +0 -15.00700000 +0 -14.93700000 +0 C(ATOM 509 CG ASN A 33) 0.37000000 +0 -13.56700000 +0 -14.56500000 +0 O(ATOM 510 OD1 ASN A 33) 0.85100000 +0 -13.29600000 +0 -13.45000000 +0 N(ATOM 511 ND2 ASN A 33) 0.12200000 +0 -12.63800000 +0 -15.48500000 +0 H(ATOM 512 H ASN A 33) -0.04310935 +1 -17.96529203 +1 -14.64464750 +1 H(ATOM 513 HA ASN A 33) 1.64646161 +1 -15.69348259 +1 -13.66226596 +1 H(ATOM 514 1HB ASN A 33) -1.12008346 +1 -15.09916503 +1 -14.93488528 +1 H(ATOM 515 2HB ASN A 33) 0.29597133 +1 -15.22624012 +1 -15.99094364 +1 H(ATOM 516 1HD2 ASN A 33) 0.20908126 +1 -11.65687037 +1 -15.26219784 +1 H(ATOM 517 2HD2 ASN A 33) -0.25163631 +1 -12.86830574 +1 -16.39664632 +1 N(ATOM 518 N GLY A 34) -0.31700000 +0 -15.27300000 +0 -11.97300000 +0 C(ATOM 519 CA GLY A 34) -1.32500000 +0 -15.19400000 +0 -10.96100000 +0 C(ATOM 520 C GLY A 34) -2.65100000 +0 -14.88000000 +0 -11.58500000 +0 O(ATOM 521 O GLY A 34) -2.76100000 +0 -14.72100000 +0 -12.80600000 +0 H(ATOM 522 H GLY A 34) 0.14738190 +1 -14.37197720 +1 -12.22505816 +1 H(ATOM 523 1HA GLY A 34) -1.04612555 +1 -14.43055650 +1 -10.18670408 +1 H(ATOM 524 2HA GLY A 34) -1.39772731 +1 -16.17269030 +1 -10.40503850 +1 N(ATOM 525 N PHE A 35) -3.67400000 +0 -14.75800000 +0 -10.76400000 +0 C(ATOM 526 CA PHE A 35) -5.03300000 +0 -14.59200000 +0 -11.29200000 +0 C(ATOM 527 C PHE A 35) -5.40600000 +0 -13.14100000 +0 -11.14900000 +0 O(ATOM 528 O PHE A 35) -5.00600000 +0 -12.49200000 +0 -10.20900000 +0 C(ATOM 529 CB PHE A 35) -5.96600000 +0 -15.46500000 +0 -10.46000000 +0 C(ATOM 530 CG PHE A 35) -5.56200000 +0 -16.87000000 +0 -10.46200000 +0 C(ATOM 531 CD1 PHE A 35) -5.84300000 +0 -17.64800000 +0 -11.54200000 +0 C(ATOM 532 CD2 PHE A 35) -4.81900000 +0 -17.40800000 +0 -9.40300000 +0 C(ATOM 533 CE1 PHE A 35) -5.38200000 +0 -18.97000000 +0 -11.59700000 +0 C(ATOM 534 CE2 PHE A 35) -4.36900000 +0 -18.70900000 +0 -9.43900000 +0 C(ATOM 535 CZ PHE A 35) -4.65300000 +0 -19.48700000 +0 -10.56600000 +0 H(ATOM 536 H PHE A 35) -3.56837033 +1 -14.70377730 +1 -9.74358563 +1 H(ATOM 537 HA PHE A 35) -5.06591093 +1 -14.92644179 +1 -12.37729310 +1 H(ATOM 538 1HB PHE A 35) -7.00610959 +1 -15.35293582 +1 -10.87016168 +1 H(ATOM 539 2HB PHE A 35) -6.04200160 +1 -15.05878524 +1 -9.42282947 +1 H(ATOM 540 HD1 PHE A 35) -6.40928836 +1 -17.24045941 +1 -12.38404368 +1 H(ATOM 541 HD2 PHE A 35) -4.58659131 +1 -16.78213998 +1 -8.53797425 +1 H(ATOM 542 HE1 PHE A 35) -5.61160535 +1 -19.57762244 +1 -12.47436110 +1 H(ATOM 543 HE2 PHE A 35) -3.77971785 +1 -19.11313513 +1 -8.61537453 +1 H(ATOM 544 HZ PHE A 35) -4.27861759 +1 -20.51219930 +1 -10.61002556 +1 N(ATOM 545 N GLY A 36) -6.19500000 +0 -12.62500000 +0 -12.07500000 +0 C(ATOM 546 CA GLY A 36) -6.64600000 +0 -11.22700000 +0 -11.99000000 +0 C(ATOM 547 C GLY A 36) -7.21000000 +0 -10.73300000 +0 -13.30700000 +0 O(ATOM 548 O GLY A 36) -7.54100000 +0 -11.54700000 +0 -14.21900000 +0 H(ATOM 549 H GLY A 36) -6.58214591 +1 -13.15277724 +1 -12.88011237 +1 H(ATOM 550 1HA GLY A 36) -5.77763834 +1 -10.58701490 +1 -11.66800488 +1 H(ATOM 551 2HA GLY A 36) -7.41848262 +1 -11.13750002 +1 -11.18651937 +1 N(ATOM 552 N GLY A 37) -7.36900000 +0 -9.42100000 +0 -13.39700000 +0 C(ATOM 553 CA GLY A 37) -8.06000000 +0 -8.82900000 +0 -14.53300000 +0 C(ATOM 554 C GLY A 37) -8.26000000 +0 -7.34800000 +0 -14.26600000 +0 O(ATOM 555 O GLY A 37) -7.69000000 +0 -6.79400000 +0 -13.33900000 +0 H(ATOM 556 H GLY A 37) -7.10466931 +1 -8.77291673 +1 -12.64823052 +1 H(ATOM 557 1HA GLY A 37) -9.02563714 +1 -9.36326528 +1 -14.74037636 +1 H(ATOM 558 2HA GLY A 37) -7.45617492 +1 -8.97510652 +1 -15.47389591 +1 N(ATOM 559 N LYS A 38) -9.10900000 +0 -6.76200000 +0 -15.09300000 +0 C(ATOM 560 CA LYS A 38) -9.51100000 +0 -5.39500000 +0 -14.97100000 +0 C(ATOM 561 C LYS A 38) -10.38500000 +0 -5.24100000 +0 -13.74300000 +0 O(ATOM 562 O LYS A 38) -11.19300000 +0 -6.07700000 +0 -13.42200000 +0 C(ATOM 563 CB LYS A 38) -10.33900000 +0 -4.96800000 +0 -16.23000000 +0 C(ATOM 564 CG LYS A 38) -9.54400000 +0 -5.03000000 +0 -17.55600000 +0 C(ATOM 565 CD LYS A 38) -10.40700000 +0 -4.57800000 +0 -18.76700000 +0 C(ATOM 566 CE LYS A 38) -9.48200000 +0 -4.12300000 +0 -19.89600000 +0 N(ATOM 567 NZ LYS A 38) -10.18900000 +0 -3.95700000 +0 -21.20700000 +0 H(ATOM 568 H LYS A 38) -9.59678720 +1 -7.31744549 +1 -15.82549856 +1 H(ATOM 569 HA LYS A 38) -8.59193199 +1 -4.73396783 +1 -14.90746930 +1 H(ATOM 570 1HB LYS A 38) -10.69701539 +1 -3.93203247 +1 -16.07214401 +1 H(ATOM 571 2HB LYS A 38) -11.24566104 +1 -5.60117714 +1 -16.31586876 +1 H(ATOM 572 1HG LYS A 38) -8.64625163 +1 -4.38739417 +1 -17.47323148 +1 H(ATOM 573 2HG LYS A 38) -9.17446975 +1 -6.05600496 +1 -17.73826879 +1 H(ATOM 574 1HD LYS A 38) -11.08797553 +1 -3.75882299 +1 -18.47638809 +1 H(ATOM 575 2HD LYS A 38) -11.05444724 +1 -5.40889547 +1 -19.09884716 +1 H(ATOM 576 1HE LYS A 38) -8.96515124 +1 -3.18294571 +1 -19.59651100 +1 H(ATOM 577 2HE LYS A 38) -8.67900935 +1 -4.88022531 +1 -20.05593334 +1 H(ATOM 578 1HZ LYS A 38) -10.91055672 +1 -3.24916356 +1 -21.09088313 +1 H(ATOM 579 2HZ LYS A 38) -9.53509606 +1 -3.59650881 +1 -21.89530559 +1 N(ATOM 580 N VAL A 39) -10.26000000 +0 -4.10500000 +0 -13.10200000 +0 C(ATOM 581 CA VAL A 39) -11.20900000 +0 -3.70300000 +0 -12.06500000 +0 C(ATOM 582 C VAL A 39) -12.37700000 +0 -2.97900000 +0 -12.70500000 +0 O(ATOM 583 O VAL A 39) -12.17800000 +0 -2.01300000 +0 -13.48500000 +0 C(ATOM 584 CB VAL A 39) -10.49100000 +0 -2.81100000 +0 -11.03000000 +0 C(ATOM 585 CG1 VAL A 39) -11.50700000 +0 -2.31100000 +0 -9.97900000 +0 C(ATOM 586 CG2 VAL A 39) -9.29600000 +0 -3.63200000 +0 -10.40000000 +0 H(ATOM 587 H VAL A 39) -9.53626102 +1 -3.41700924 +1 -13.33580298 +1 H(ATOM 588 HA VAL A 39) -11.57122420 +1 -4.64524322 +1 -11.52988534 +1 H(ATOM 589 HB VAL A 39) -10.05776473 +1 -1.92027350 +1 -11.54293810 +1 H(ATOM 590 1HG1 VAL A 39) -12.33432991 +1 -1.75349113 +1 -10.43621718 +1 H(ATOM 591 2HG1 VAL A 39) -11.95151906 +1 -3.14026896 +1 -9.41325116 +1 H(ATOM 592 3HG1 VAL A 39) -11.03172245 +1 -1.64122199 +1 -9.25644488 +1 H(ATOM 593 1HG2 VAL A 39) -8.52062384 +1 -3.81591658 +1 -11.14484804 +1 H(ATOM 594 2HG2 VAL A 39) -8.85814047 +1 -3.07997177 +1 -9.56758706 +1 H(ATOM 595 3HG2 VAL A 39) -9.65764555 +1 -4.59866875 +1 -10.03086946 +1 N(ATOM 596 N GLN A 40) -13.56900000 +0 -3.39000000 +0 -12.36100000 +0 C(ATOM 597 CA GLN A 40) -14.78300000 +0 -2.86400000 +0 -12.90300000 +0 C(ATOM 598 C GLN A 40) -15.24700000 +0 -1.63700000 +0 -12.14300000 +0 O(ATOM 599 O GLN A 40) -14.93100000 +0 -1.43600000 +0 -10.98000000 +0 C(ATOM 600 CB GLN A 40) -15.88200000 +0 -3.92900000 +0 -12.82500000 +0 C(ATOM 601 CG GLN A 40) -15.53400000 +0 -5.18000000 +0 -13.71500000 +0 C(ATOM 602 CD GLN A 40) -16.60300000 +0 -6.26200000 +0 -13.65700000 +0 O(ATOM 603 OE1 GLN A 40) -17.59100000 +0 -6.19500000 +0 -12.91100000 +0 N(ATOM 604 NE2 GLN A 40) -16.39700000 +0 -7.27700000 +0 -14.46200000 +0 H(ATOM 605 H GLN A 40) -13.69511488 +1 -4.14153086 +1 -11.62024322 +1 H(ATOM 606 HA GLN A 40) -14.60675393 +1 -2.58350527 +1 -13.99204229 +1 H(ATOM 607 1HB GLN A 40) -16.03288281 +1 -4.27575563 +1 -11.78069242 +1 H(ATOM 608 2HB GLN A 40) -16.85702344 +1 -3.51967293 +1 -13.15119293 +1 H(ATOM 609 1HG GLN A 40) -14.56449870 +1 -5.60338197 +1 -13.37510939 +1 H(ATOM 610 2HG GLN A 40) -15.37721997 +1 -4.84860359 +1 -14.76107092 +1 H(ATOM 611 1HE2 GLN A 40) -15.55875891 +1 -7.36678383 +1 -15.02376902 +1 H(ATOM 612 2HE2 GLN A 40) -17.01597189 +1 -8.07603624 +1 -14.50752344 +1 N(ATOM 613 N GLU A 41) -16.08800000 +0 -0.86100000 +0 -12.81100000 +0 C(ATOM 614 CA GLU A 41) -16.86500000 +0 0.16200000 +0 -12.18000000 +0 C(ATOM 615 C GLU A 41) -17.74700000 +0 -0.47100000 +0 -11.15400000 +0 O(ATOM 616 O GLU A 41) -18.39800000 +0 -1.48100000 +0 -11.38500000 +0 C(ATOM 617 CB GLU A 41) -17.69000000 +0 0.97100000 +0 -13.20300000 +0 C(ATOM 618 CG GLU A 41) -16.83800000 +0 1.55400000 +0 -14.25200000 +0 C(ATOM 619 CD GLU A 41) -17.60100000 +0 2.33000000 +0 -15.27500000 +0 O(ATOM 620 OE1 GLU A 41) -18.85400000 +0 2.27800000 +0 -15.23700000 +0 O(ATOM 621 OE2 GLU A 41) -16.91400000 +0 3.02800000 +0 -16.08700000 +0 H(ATOM 622 H GLU A 41) -16.36843393 +1 -1.10374290 +1 -13.77787797 +1 H(ATOM 623 HA GLU A 41) -16.14086967 +1 0.89327312 +1 -11.67994890 +1 H(ATOM 624 1HB GLU A 41) -18.25873365 +1 1.76314998 +1 -12.65507232 +1 H(ATOM 625 2HB GLU A 41) -18.48940435 +1 0.32138469 +1 -13.63544013 +1 H(ATOM 626 1HG GLU A 41) -16.04518157 +1 2.21782991 +1 -13.80508327 +1 H(ATOM 627 2HG GLU A 41) -16.22143679 +1 0.77984182 +1 -14.78663556 +1 H(ATOM 628 HE2 GLU A 41) -17.41247835 +1 3.56856983 +1 -16.78831240 +1 N(ATOM 629 N GLY A 42) -17.79000000 +0 0.14100000 +0 -9.97500000 +0 C(ATOM 630 CA GLY A 42) -18.69100000 +0 -0.32000000 +0 -8.91600000 +0 C(ATOM 631 C GLY A 42) -18.07900000 +0 -1.40800000 +0 -8.01500000 +0 O(ATOM 632 O GLY A 42) -18.73500000 +0 -1.95900000 +0 -7.19600000 +0 H(ATOM 633 H GLY A 42) -17.22669847 +1 0.96564712 +1 -9.74889527 +1 H(ATOM 634 1HA GLY A 42) -19.64477358 +1 -0.71515115 +1 -9.35126372 +1 H(ATOM 635 2HA GLY A 42) -18.98387057 +1 0.54510505 +1 -8.26861646 +1 N(ATOM 636 N GLU A 43) -16.83100000 +0 -1.69200000 +0 -8.12000000 +0 C(ATOM 637 CA GLU A 43) -16.22500000 +0 -2.61500000 +0 -7.18300000 +0 C(ATOM 638 C GLU A 43) -14.91100000 +0 -2.01000000 +0 -6.73600000 +0 O(ATOM 639 O GLU A 43) -14.23900000 +0 -1.28400000 +0 -7.51900000 +0 C(ATOM 640 CB GLU A 43) -15.96500000 +0 -4.01700000 +0 -7.80500000 +0 C(ATOM 641 CG GLU A 43) -14.86300000 +0 -4.08800000 +0 -8.84400000 +0 C(ATOM 642 CD GLU A 43) -14.71200000 +0 -5.43700000 +0 -9.57800000 +0 O(ATOM 643 OE1 GLU A 43) -15.36400000 +0 -6.44600000 +0 -9.21500000 +0 O(ATOM 644 OE2 GLU A 43) -13.88900000 +0 -5.48300000 +0 -10.50200000 +0 H(ATOM 645 H GLU A 43) -16.19524363 +1 -1.34790232 +1 -8.85739215 +1 H(ATOM 646 HA GLU A 43) -16.90925741 +1 -2.76714840 +1 -6.29113510 +1 H(ATOM 647 1HB GLU A 43) -16.91777672 +1 -4.38151876 +1 -8.24791067 +1 H(ATOM 648 2HB GLU A 43) -15.74041472 +1 -4.73067671 +1 -6.98269870 +1 H(ATOM 649 1HG GLU A 43) -14.98009486 +1 -3.28732456 +1 -9.60536592 +1 H(ATOM 650 2HG GLU A 43) -13.87580341 +1 -3.86792811 +1 -8.37284691 +1 N(ATOM 651 N THR A 44) -14.49100000 +0 -2.36900000 +0 -5.52300000 +0 C(ATOM 652 CA THR A 44) -13.11800000 +0 -2.00500000 +0 -5.13200000 +0 C(ATOM 653 C THR A 44) -12.07600000 +0 -2.82100000 +0 -5.83900000 +0 O(ATOM 654 O THR A 44) -12.32000000 +0 -3.84900000 +0 -6.44000000 +0 C(ATOM 655 CB THR A 44) -12.93600000 +0 -2.14300000 +0 -3.61400000 +0 O(ATOM 656 OG1 THR A 44) -13.00100000 +0 -3.52800000 +0 -3.25300000 +0 C(ATOM 657 CG2 THR A 44) -14.00400000 +0 -1.33800000 +0 -2.86000000 +0 H(ATOM 658 H THR A 44) -14.96383250 +1 -3.06041125 +1 -4.92068105 +1 H(ATOM 659 HA THR A 44) -12.96960910 +1 -0.90698631 +1 -5.40334495 +1 H(ATOM 660 HB THR A 44) -11.91213367 +1 -1.79920584 +1 -3.31570238 +1 H(ATOM 661 HG1 THR A 44) -12.94427054 +1 -3.64610635 +1 -2.26631137 +1 H(ATOM 662 1HG2 THR A 44) -13.79697904 +1 -1.32191006 +1 -1.78195894 +1 H(ATOM 663 2HG2 THR A 44) -14.04150151 +1 -0.29694825 +1 -3.20236093 +1 H(ATOM 664 3HG2 THR A 44) -15.00571632 +1 -1.76739613 +1 -2.98435615 +1 N(ATOM 665 N ILE A 45) -10.83500000 +0 -2.40500000 +0 -5.73600000 +0 C(ATOM 666 CA ILE A 45) -9.72200000 +0 -3.16400000 +0 -6.28900000 +0 C(ATOM 667 C ILE A 45) -9.66700000 +0 -4.53200000 +0 -5.62900000 +0 O(ATOM 668 O ILE A 45) -9.64600000 +0 -5.54600000 +0 -6.31200000 +0 C(ATOM 669 CB ILE A 45) -8.36400000 +0 -2.39900000 +0 -6.11700000 +0 C(ATOM 670 CG1 ILE A 45) -8.42200000 +0 -1.03500000 +0 -6.84000000 +0 C(ATOM 671 CG2 ILE A 45) -7.18900000 +0 -3.21700000 +0 -6.71600000 +0 C(ATOM 672 CD1 ILE A 45) -7.11800000 +0 -0.15600000 +0 -6.67000000 +0 H(ATOM 673 H ILE A 45) -10.56323741 +1 -1.61075634 +1 -5.14259359 +1 H(ATOM 674 HA ILE A 45) -9.90834501 +1 -3.33089758 +1 -7.39606214 +1 H(ATOM 675 HB ILE A 45) -8.17299404 +1 -2.23371856 +1 -5.03021151 +1 H(ATOM 676 1HG1 ILE A 45) -8.60129515 +1 -1.18648431 +1 -7.91854864 +1 H(ATOM 677 2HG1 ILE A 45) -9.27553677 +1 -0.43758093 +1 -6.46822733 +1 H(ATOM 678 1HG2 ILE A 45) -7.17962009 +1 -4.24319023 +1 -6.33298730 +1 H(ATOM 679 2HG2 ILE A 45) -7.25295458 +1 -3.26368733 +1 -7.80795469 +1 H(ATOM 680 3HG2 ILE A 45) -6.23338155 +1 -2.75036164 +1 -6.45210859 +1 H(ATOM 681 1HD1 ILE A 45) -7.29186703 +1 0.84225871 +1 -7.08328473 +1 H(ATOM 682 2HD1 ILE A 45) -6.86433366 +1 -0.04732664 +1 -5.61283653 +1 H(ATOM 683 3HD1 ILE A 45) -6.28049226 +1 -0.60979729 +1 -7.19800680 +1 N(ATOM 684 N GLU A 46) -9.71200000 +0 -4.58200000 +0 -4.30900000 +0 C(ATOM 685 CA GLU A 46) -9.62200000 +0 -5.83700000 +0 -3.65300000 +0 C(ATOM 686 C GLU A 46) -10.80500000 +0 -6.77600000 +0 -3.99300000 +0 O(ATOM 687 O GLU A 46) -10.59600000 +0 -8.00700000 +0 -4.20200000 +0 C(ATOM 688 CB GLU A 46) -9.42400000 +0 -5.65300000 +0 -2.17300000 +0 C(ATOM 689 CG GLU A 46) -9.32000000 +0 -7.02800000 +0 -1.49500000 +0 C(ATOM 690 CD GLU A 46) -9.24800000 +0 -6.96200000 +0 -0.02500000 +0 O(ATOM 691 OE1 GLU A 46) -9.07800000 +0 -5.85000000 +0 0.48200000 +0 O(ATOM 692 OE2 GLU A 46) -9.39300000 +0 -8.02900000 +0 0.61900000 +0 H(ATOM 693 H GLU A 46) -9.76486175 +1 -3.73704600 +1 -3.70837525 +1 H(ATOM 694 HA GLU A 46) -8.71206009 +1 -6.40244976 +1 -4.06650352 +1 H(ATOM 695 1HB GLU A 46) -8.50771133 +1 -5.05775728 +1 -1.95288137 +1 H(ATOM 696 2HB GLU A 46) -10.25213286 +1 -5.07060645 +1 -1.70896420 +1 H(ATOM 697 1HG GLU A 46) -8.41122641 +1 -7.55920067 +1 -1.87035859 +1 H(ATOM 698 2HG GLU A 46) -10.15747261 +1 -7.67971820 +1 -1.81655614 +1 N(ATOM 699 N ASP A 47) -11.99900000 +0 -6.18700000 +0 -4.14000000 +0 C(ATOM 700 CA ASP A 47) -13.13900000 +0 -6.92000000 +0 -4.60100000 +0 C(ATOM 701 C ASP A 47) -12.97500000 +0 -7.44100000 +0 -6.04100000 +0 O(ATOM 702 O ASP A 47) -13.34300000 +0 -8.55000000 +0 -6.32900000 +0 C(ATOM 703 CB ASP A 47) -14.43500000 +0 -6.18800000 +0 -4.39500000 +0 C(ATOM 704 CG ASP A 47) -14.88000000 +0 -6.22400000 +0 -2.90000000 +0 O(ATOM 705 OD1 ASP A 47) -14.32100000 +0 -6.99400000 +0 -2.09300000 +0 O(ATOM 706 OD2 ASP A 47) -15.84100000 +0 -5.60300000 +0 -2.54700000 +0 H(ATOM 707 H ASP A 47) -12.12436040 +1 -5.16399764 +1 -4.04922369 +1 H(ATOM 708 HA ASP A 47) -13.18579528 +1 -7.88918445 +1 -3.97999549 +1 H(ATOM 709 1HB ASP A 47) -14.35580877 +1 -5.10906179 +1 -4.69289601 +1 H(ATOM 710 2HB ASP A 47) -15.27319953 +1 -6.58651218 +1 -5.00777364 +1 H(ATOM 711 HD1 ASP A 47) -14.70480962 +1 -7.08515249 +1 -1.15952183 +1 N(ATOM 712 N GLY A 48) -12.39800000 +0 -6.64600000 +0 -6.91400000 +0 C(ATOM 713 CA GLY A 48) -12.05500000 +0 -7.11400000 +0 -8.23000000 +0 C(ATOM 714 C GLY A 48) -11.03800000 +0 -8.23100000 +0 -8.19800000 +0 O(ATOM 715 O GLY A 48) -11.14200000 +0 -9.16500000 +0 -9.02300000 +0 H(ATOM 716 H GLY A 48) -12.05342537 +1 -5.70221476 +1 -6.66863790 +1 H(ATOM 717 1HA GLY A 48) -11.67833638 +1 -6.26971446 +1 -8.87338672 +1 H(ATOM 718 2HA GLY A 48) -12.98103524 +1 -7.47375706 +1 -8.77396510 +1 N(ATOM 719 N ALA A 49) -10.09400000 +0 -8.18200000 +0 -7.25800000 +0 C(ATOM 720 CA ALA A 49) -9.06900000 +0 -9.25600000 +0 -7.14400000 +0 C(ATOM 721 C ALA A 49) -9.75100000 +0 -10.57400000 +0 -6.73000000 +0 O(ATOM 722 O ALA A 49) -9.51300000 +0 -11.64600000 +0 -7.32400000 +0 C(ATOM 723 CB ALA A 49) -8.01100000 +0 -8.83500000 +0 -6.14500000 +0 H(ATOM 724 H ALA A 49) -10.05836998 +1 -7.43853282 +1 -6.55199399 +1 H(ATOM 725 HA ALA A 49) -8.62069119 +1 -9.42135526 +1 -8.16651208 +1 H(ATOM 726 1HB ALA A 49) -7.52460759 +1 -7.89017190 +1 -6.43052517 +1 H(ATOM 727 2HB ALA A 49) -8.43546398 +1 -8.67370661 +1 -5.13761372 +1 H(ATOM 728 3HB ALA A 49) -7.22496511 +1 -9.59570094 +1 -6.04225428 +1 N(ATOM 729 N ARG A 50) -10.64300000 +0 -10.49800000 +0 -5.77000000 +0 C(ATOM 730 CA ARG A 50) -11.37000000 +0 -11.70500000 +0 -5.36000000 +0 C(ATOM 731 C ARG A 50) -12.26700000 +0 -12.21400000 +0 -6.43300000 +0 O(ATOM 732 O ARG A 50) -12.38000000 +0 -13.43200000 +0 -6.65200000 +0 C(ATOM 733 CB ARG A 50) -12.26200000 +0 -11.35500000 +0 -4.18500000 +0 C(ATOM 734 CG ARG A 50) -11.56000000 +0 -11.17300000 +0 -2.90000000 +0 C(ATOM 735 CD ARG A 50) -12.63300000 +0 -11.19700000 +0 -1.81700000 +0 N(ATOM 736 NE ARG A 50) -12.03100000 +0 -11.46000000 +0 -0.53500000 +0 C(ATOM 737 CZ ARG A 50) -11.46300000 +0 -10.52000000 +0 0.16400000 +0 N(ATOM 738 NH1 ARG A 50) -11.51700000 +0 -9.27100000 +0 -0.29800000 +0 N(ATOM 739 NH2 ARG A 50) -10.90100000 +0 -10.81400000 +0 1.33800000 +0 H(ATOM 740 H ARG A 50) -10.92650083 +1 -9.61121606 +1 -5.32585831 +1 H(ATOM 741 HA ARG A 50) -10.61955403 +1 -12.51060973 +1 -5.08726314 +1 H(ATOM 742 1HB ARG A 50) -13.03206472 +1 -12.17334314 +1 -4.08926857 +1 H(ATOM 743 2HB ARG A 50) -12.88327293 +1 -10.45436387 +1 -4.43007682 +1 H(ATOM 744 1HG ARG A 50) -10.81926429 +1 -11.98902692 +1 -2.71919073 +1 H(ATOM 745 2HG ARG A 50) -10.95873520 +1 -10.23826360 +1 -2.88082917 +1 H(ATOM 746 1HD ARG A 50) -13.26766006 +1 -10.27693960 +1 -1.82317782 +1 H(ATOM 747 2HD ARG A 50) -13.37433100 +1 -12.02423627 +1 -2.01461685 +1 H(ATOM 748 HE ARG A 50) -12.05099392 +1 -12.45233708 +1 -0.24503698 +1 H(ATOM 749 1HH1 ARG A 50) -10.93309485 +1 -8.54826904 +1 0.18107623 +1 H(ATOM 750 2HH1 ARG A 50) -11.76549404 +1 -9.04347900 +1 -1.24573851 +1 H(ATOM 751 1HH2 ARG A 50) -10.19689513 +1 -10.18681738 +1 1.73327853 +1 H(ATOM 752 2HH2 ARG A 50) -10.95711724 +1 -11.72732337 +1 1.77414862 +1 N(ATOM 753 N ARG A 51) -13.01400000 +0 -11.30100000 +0 -7.07200000 +0 C(ATOM 754 CA ARG A 51) -13.83400000 +0 -11.70300000 +0 -8.18500000 +0 C(ATOM 755 C ARG A 51) -13.05300000 +0 -12.50200000 +0 -9.22700000 +0 O(ATOM 756 O ARG A 51) -13.51500000 +0 -13.54800000 +0 -9.71000000 +0 C(ATOM 757 CB ARG A 51) -14.51800000 +0 -10.49700000 +0 -8.86000000 +0 C(ATOM 758 CG ARG A 51) -15.47600000 +0 -10.86500000 +0 -9.94700000 +0 C(ATOM 759 CD ARG A 51) -16.16600000 +0 -9.63200000 +0 -10.60600000 +0 N(ATOM 760 NE ARG A 51) -15.15100000 +0 -8.58700000 +0 -10.96000000 +0 C(ATOM 761 CZ ARG A 51) -14.23000000 +0 -8.67400000 +0 -11.93000000 +0 N(ATOM 762 NH1 ARG A 51) -14.17400000 +0 -9.72700000 +0 -12.77300000 +0 N(ATOM 763 NH2 ARG A 51) -13.37400000 +0 -7.67100000 +0 -12.12700000 +0 H(ATOM 764 H ARG A 51) -12.86040278 +1 -10.28816482 +1 -6.96198103 +1 H(ATOM 765 HA ARG A 51) -14.64914695 +1 -12.40342031 +1 -7.79237300 +1 H(ATOM 766 1HB ARG A 51) -13.73171856 +1 -9.80131850 +1 -9.24113911 +1 H(ATOM 767 2HB ARG A 51) -15.04306960 +1 -9.90292644 +1 -8.07074161 +1 H(ATOM 768 1HG ARG A 51) -14.97171577 +1 -11.46255353 +1 -10.73443863 +1 H(ATOM 769 2HG ARG A 51) -16.27985153 +1 -11.52975746 +1 -9.55474445 +1 H(ATOM 770 1HD ARG A 51) -16.73704924 +1 -9.94225993 +1 -11.50502522 +1 H(ATOM 771 2HD ARG A 51) -16.87607664 +1 -9.15206107 +1 -9.89455274 +1 H(ATOM 772 HE ARG A 51) -15.14848651 +1 -7.73633445 +1 -10.29029985 +1 H(ATOM 773 1HH1 ARG A 51) -13.45117063 +1 -9.73512695 +1 -13.48312995 +1 H(ATOM 774 2HH1 ARG A 51) -14.94314023 +1 -10.38035908 +1 -12.87710354 +1 H(ATOM 775 1HH2 ARG A 51) -12.65807592 +1 -7.70137780 +1 -12.84306226 +1 H(ATOM 776 2HH2 ARG A 51) -13.34412334 +1 -6.85896871 +1 -11.47052850 +1 N(ATOM 777 N GLU A 52) -11.88900000 +0 -11.98600000 +0 -9.57300000 +0 C(ATOM 778 CA GLU A 52) -11.09600000 +0 -12.60000000 +0 -10.64700000 +0 C(ATOM 779 C GLU A 52) -10.51700000 +0 -13.88000000 +0 -10.19100000 +0 O(ATOM 780 O GLU A 52) -10.44800000 +0 -14.84800000 +0 -10.98100000 +0 C(ATOM 781 CB GLU A 52) -9.99800000 +0 -11.66600000 +0 -11.14100000 +0 C(ATOM 782 CG GLU A 52) -10.51200000 +0 -10.59500000 +0 -12.06600000 +0 C(ATOM 783 CD GLU A 52) -10.90500000 +0 -11.10200000 +0 -13.44700000 +0 O(ATOM 784 OE1 GLU A 52) -10.87300000 +0 -12.33000000 +0 -13.68900000 +0 O(ATOM 785 OE2 GLU A 52) -11.30000000 +0 -10.25100000 +0 -14.28800000 +0 H(ATOM 786 H GLU A 52) -11.49962898 +1 -11.12075339 +1 -9.16654300 +1 H(ATOM 787 HA GLU A 52) -11.79956495 +1 -12.83399463 +1 -11.51510488 +1 H(ATOM 788 1HB GLU A 52) -9.22259275 +1 -12.28002938 +1 -11.66493377 +1 H(ATOM 789 2HB GLU A 52) -9.48315647 +1 -11.19931554 +1 -10.26683836 +1 H(ATOM 790 1HG GLU A 52) -11.39184886 +1 -10.06171169 +1 -11.61999991 +1 H(ATOM 791 2HG GLU A 52) -9.77721935 +1 -9.76502452 +1 -12.19113983 +1 H(ATOM 792 HE1 GLU A 52) -11.32357559 +1 -12.68153175 +1 -14.62734670 +1 N(ATOM 793 N LEU A 53) -10.05800000 +0 -13.93600000 +0 -8.96600000 +0 C(ATOM 794 CA LEU A 53) -9.62200000 +0 -15.21100000 +0 -8.42000000 +0 C(ATOM 795 C LEU A 53) -10.74400000 +0 -16.27900000 +0 -8.54300000 +0 O(ATOM 796 O LEU A 53) -10.50200000 +0 -17.43400000 +0 -9.02200000 +0 C(ATOM 797 CB LEU A 53) -9.14300000 +0 -15.08900000 +0 -6.97800000 +0 C(ATOM 798 CG LEU A 53) -8.63500000 +0 -16.39200000 +0 -6.31700000 +0 C(ATOM 799 CD1 LEU A 53) -7.36300000 +0 -16.89600000 +0 -7.02300000 +0 C(ATOM 800 CD2 LEU A 53) -8.33400000 +0 -16.04200000 +0 -4.82400000 +0 H(ATOM 801 H LEU A 53) -10.18179923 +1 -13.17063850 +1 -8.28309992 +1 H(ATOM 802 HA LEU A 53) -8.76946052 +1 -15.59785427 +1 -9.06537956 +1 H(ATOM 803 1HB LEU A 53) -8.33974172 +1 -14.32039829 +1 -6.93257057 +1 H(ATOM 804 2HB LEU A 53) -9.96649696 +1 -14.67578215 +1 -6.35040723 +1 H(ATOM 805 HG LEU A 53) -9.42714608 +1 -17.17310959 +1 -6.35787145 +1 H(ATOM 806 1HD1 LEU A 53) -7.57480944 +1 -17.21235427 +1 -8.05140765 +1 H(ATOM 807 2HD1 LEU A 53) -6.58527917 +1 -16.12815647 +1 -7.05452734 +1 H(ATOM 808 3HD1 LEU A 53) -6.94900089 +1 -17.76920263 +1 -6.50573154 +1 H(ATOM 809 1HD2 LEU A 53) -9.24211348 +1 -15.69242083 +1 -4.31902037 +1 H(ATOM 810 2HD2 LEU A 53) -7.97803731 +1 -16.92565982 +1 -4.28753351 +1 H(ATOM 811 3HD2 LEU A 53) -7.57422732 +1 -15.26297808 +1 -4.74350413 +1 N(ATOM 812 N GLN A 54) -11.96700000 +0 -15.89800000 +0 -8.20500000 +0 C(ATOM 813 CA GLN A 54) -13.10600000 +0 -16.83400000 +0 -8.28200000 +0 C(ATOM 814 C GLN A 54) -13.44000000 +0 -17.19800000 +0 -9.75400000 +0 O(ATOM 815 O GLN A 54) -13.62000000 +0 -18.37200000 +0 -10.07700000 +0 C(ATOM 816 CB GLN A 54) -14.34100000 +0 -16.30100000 +0 -7.54700000 +0 C(ATOM 817 CG GLN A 54) -15.49800000 +0 -17.29400000 +0 -7.28700000 +0 C(ATOM 818 CD GLN A 54) -16.32300000 +0 -17.70600000 +0 -8.54100000 +0 O(ATOM 819 OE1 GLN A 54) -16.80500000 +0 -18.87900000 +0 -8.62900000 +0 N(ATOM 820 NE2 GLN A 54) -16.52800000 +0 -16.77300000 +0 -9.47600000 +0 H(ATOM 821 H GLN A 54) -12.19949587 +1 -14.92684268 +1 -7.96364462 +1 H(ATOM 822 HA GLN A 54) -12.77992853 +1 -17.80251849 +1 -7.77396527 +1 H(ATOM 823 1HB GLN A 54) -14.00411995 +1 -15.93400377 +1 -6.54272179 +1 H(ATOM 824 2HB GLN A 54) -14.71743410 +1 -15.37963943 +1 -8.04063352 +1 H(ATOM 825 1HG GLN A 54) -15.10759431 +1 -18.21904852 +1 -6.81276815 +1 H(ATOM 826 2HG GLN A 54) -16.20544333 +1 -16.84612451 +1 -6.55626484 +1 H(ATOM 827 1HE2 GLN A 54) -16.07889634 +1 -15.87536640 +1 -9.44384366 +1 H(ATOM 828 2HE2 GLN A 54) -17.06626082 +1 -16.96785757 +1 -10.30862066 +1 N(ATOM 829 N GLU A 55) -13.47100000 +0 -16.20800000 +0 -10.65200000 +0 C(ATOM 830 CA GLU A 55) -13.77900000 +0 -16.49100000 +0 -12.03600000 +0 C(ATOM 831 C GLU A 55) -12.70700000 +0 -17.40200000 +0 -12.69700000 +0 O(ATOM 832 O GLU A 55) -13.08000000 +0 -18.26600000 +0 -13.51000000 +0 C(ATOM 833 CB GLU A 55) -13.96400000 +0 -15.21800000 +0 -12.87000000 +0 C(ATOM 834 CG GLU A 55) -15.12100000 +0 -14.34200000 +0 -12.47800000 +0 C(ATOM 835 CD GLU A 55) -15.17300000 +0 -13.03100000 +0 -13.29100000 +0 O(ATOM 836 OE1 GLU A 55) -14.31100000 +0 -12.86100000 +0 -14.14200000 +0 O(ATOM 837 OE2 GLU A 55) -16.08600000 +0 -12.17000000 +0 -13.06000000 +0 H(ATOM 838 H GLU A 55) -13.20046877 +1 -15.24342068 +1 -10.41951221 +1 H(ATOM 839 HA GLU A 55) -14.74560712 +1 -17.09345770 +1 -12.07432506 +1 H(ATOM 840 1HB GLU A 55) -14.07757756 +1 -15.52344151 +1 -13.94212763 +1 H(ATOM 841 2HB GLU A 55) -13.01825010 +1 -14.62552159 +1 -12.84831114 +1 H(ATOM 842 1HG GLU A 55) -16.09633989 +1 -14.86389820 +1 -12.62851159 +1 H(ATOM 843 2HG GLU A 55) -15.07272222 +1 -14.06060506 +1 -11.39942748 +1 H(ATOM 844 HE1 GLU A 55) -14.32335908 +1 -11.98524983 +1 -14.75738511 +1 N(ATOM 845 N GLU A 56) -11.43400000 +0 -17.20500000 +0 -12.36900000 +0 C(ATOM 846 CA GLU A 56) -10.37400000 +0 -17.90100000 +0 -13.05400000 +0 C(ATOM 847 C GLU A 56) -9.96800000 +0 -19.24900000 +0 -12.45900000 +0 O(ATOM 848 O GLU A 56) -9.42400000 +0 -20.07300000 +0 -13.16300000 +0 C(ATOM 849 CB GLU A 56) -9.18700000 +0 -16.96200000 +0 -13.16200000 +0 C(ATOM 850 CG GLU A 56) -9.46500000 +0 -15.74700000 +0 -14.03800000 +0 C(ATOM 851 CD GLU A 56) -8.20700000 +0 -15.01200000 +0 -14.44500000 +0 O(ATOM 852 OE1 GLU A 56) -7.27500000 +0 -14.95300000 +0 -13.60600000 +0 O(ATOM 853 OE2 GLU A 56) -8.08600000 +0 -14.51600000 +0 -15.62100000 +0 H(ATOM 854 H GLU A 56) -11.14879477 +1 -16.51608753 +1 -11.65344107 +1 H(ATOM 855 HA GLU A 56) -10.73765969 +1 -18.15729633 +1 -14.11338837 +1 H(ATOM 856 1HB GLU A 56) -8.86632252 +1 -16.60389261 +1 -12.15133628 +1 H(ATOM 857 2HB GLU A 56) -8.30669083 +1 -17.51533772 +1 -13.56122517 +1 H(ATOM 858 1HG GLU A 56) -10.09751844 +1 -15.01230603 +1 -13.47428688 +1 H(ATOM 859 2HG GLU A 56) -10.06116990 +1 -16.01338845 +1 -14.93631053 +1 H(ATOM 860 HE2 GLU A 56) -7.17100760 +1 -13.95508567 +1 -15.78515600 +1 N(ATOM 861 N SER A 57) -10.32300000 +0 -19.48400000 +0 -11.19100000 +0 C(ATOM 862 CA SER A 57) -9.84600000 +0 -20.63100000 +0 -10.41300000 +0 C(ATOM 863 C SER A 57) -10.90800000 +0 -21.29700000 +0 -9.55800000 +0 O(ATOM 864 O SER A 57) -10.66300000 +0 -22.39300000 +0 -9.03900000 +0 C(ATOM 865 CB SER A 57) -8.68200000 +0 -20.23600000 +0 -9.52800000 +0 O(ATOM 866 OG SER A 57) -9.05000000 +0 -19.58300000 +0 -8.31000000 +0 H(ATOM 867 H SER A 57) -10.70949645 +1 -18.70834009 +1 -10.62642623 +1 H(ATOM 868 HA SER A 57) -9.48013520 +1 -21.43351117 +1 -11.14665128 +1 H(ATOM 869 1HB SER A 57) -8.14436383 +1 -21.13379725 +1 -9.15285473 +1 H(ATOM 870 2HB SER A 57) -7.95672886 +1 -19.59003640 +1 -10.06151708 +1 H(ATOM 871 HG SER A 57) -9.46378679 +1 -18.70312550 +1 -8.50538563 +1 N(ATOM 872 N GLY A 58) -12.04000000 +0 -20.64200000 +0 -9.33900000 +0 C(ATOM 873 CA GLY A 58) -13.10000000 +0 -21.17600000 +0 -8.46700000 +0 C(ATOM 874 C GLY A 58) -12.87100000 +0 -20.86800000 +0 -6.99600000 +0 O(ATOM 875 O GLY A 58) -13.76000000 +0 -21.06200000 +0 -6.16500000 +0 H(ATOM 876 H GLY A 58) -12.23093545 +1 -19.69448789 +1 -9.67141321 +1 H(ATOM 877 1HA GLY A 58) -13.21084860 +1 -22.28487357 +1 -8.60347233 +1 H(ATOM 878 2HA GLY A 58) -14.08278778 +1 -20.73549337 +1 -8.78547482 +1 N(ATOM 879 N LEU A 59) -11.69300000 +0 -20.33300000 +0 -6.66000000 +0 C(ATOM 880 CA LEU A 59) -11.25600000 +0 -20.21600000 +0 -5.25800000 +0 C(ATOM 881 C LEU A 59) -11.82500000 +0 -18.96700000 +0 -4.63700000 +0 O(ATOM 882 O LEU A 59) -12.05700000 +0 -17.92900000 +0 -5.32000000 +0 C(ATOM 883 CB LEU A 59) -9.72600000 +0 -20.16200000 +0 -5.19100000 +0 C(ATOM 884 CG LEU A 59) -8.89700000 +0 -21.37700000 +0 -5.64900000 +0 C(ATOM 885 CD1 LEU A 59) -7.39700000 +0 -21.06200000 +0 -5.58200000 +0 C(ATOM 886 CD2 LEU A 59) -9.27900000 +0 -22.58500000 +0 -4.84000000 +0 H(ATOM 887 H LEU A 59) -10.97546509 +1 -20.07775449 +1 -7.33785286 +1 H(ATOM 888 HA LEU A 59) -11.62194471 +1 -21.13602463 +1 -4.70103713 +1 H(ATOM 889 1HB LEU A 59) -9.37730914 +1 -19.27844380 +1 -5.77810767 +1 H(ATOM 890 2HB LEU A 59) -9.43845783 +1 -19.93092149 +1 -4.13929785 +1 H(ATOM 891 HG LEU A 59) -9.14556325 +1 -21.56990054 +1 -6.73115483 +1 H(ATOM 892 1HD1 LEU A 59) -7.13337199 +1 -20.27111489 +1 -6.29490877 +1 H(ATOM 893 2HD1 LEU A 59) -7.10362038 +1 -20.72505527 +1 -4.58256729 +1 H(ATOM 894 3HD1 LEU A 59) -6.79707339 +1 -21.94631235 +1 -5.81953247 +1 H(ATOM 895 1HD2 LEU A 59) -10.26769121 +1 -22.97088800 +1 -5.12722744 +1 H(ATOM 896 2HD2 LEU A 59) -8.56232866 +1 -23.40636440 +1 -4.95724983 +1 H(ATOM 897 3HD2 LEU A 59) -9.32526365 +1 -22.37077359 +1 -3.76131199 +1 N(ATOM 898 N THR A 60) -12.08300000 +0 -19.05800000 +0 -3.35000000 +0 C(ATOM 899 CA THR A 60) -12.33500000 +0 -17.86800000 +0 -2.56600000 +0 C(ATOM 900 C THR A 60) -11.25400000 +0 -17.79300000 +0 -1.50900000 +0 O(ATOM 901 O THR A 60) -10.50200000 +0 -18.73300000 +0 -1.32200000 +0 C(ATOM 902 CB THR A 60) -13.74800000 +0 -17.87800000 +0 -1.97100000 +0 O(ATOM 903 OG1 THR A 60) -13.92800000 +0 -19.05900000 +0 -1.22100000 +0 C(ATOM 904 CG2 THR A 60) -14.82100000 +0 -17.79500000 +0 -3.09700000 +0 H(ATOM 905 H THR A 60) -11.87940604 +1 -19.90689439 +1 -2.79129226 +1 H(ATOM 906 HA THR A 60) -12.25884810 +1 -16.94545112 +1 -3.22756780 +1 H(ATOM 907 HB THR A 60) -13.88139940 +1 -17.01045416 +1 -1.27807850 +1 H(ATOM 908 HG1 THR A 60) -13.52033361 +1 -18.96222943 +1 -0.31513992 +1 H(ATOM 909 1HG2 THR A 60) -15.82091283 +1 -17.95360213 +1 -2.67832361 +1 H(ATOM 910 2HG2 THR A 60) -14.80140892 +1 -16.80828525 +1 -3.56953261 +1 H(ATOM 911 3HG2 THR A 60) -14.65269632 +1 -18.55354855 +1 -3.87018896 +1 N(ATOM 912 N VAL A 61) -11.17100000 +0 -16.65800000 +0 -0.84500000 +0 C(ATOM 913 CA VAL A 61) -10.12500000 +0 -16.42800000 +0 0.10200000 +0 C(ATOM 914 C VAL A 61) -10.71600000 +0 -15.69300000 +0 1.27600000 +0 O(ATOM 915 O VAL A 61) -11.65400000 +0 -14.93200000 +0 1.13000000 +0 C(ATOM 916 CB VAL A 61) -8.99100000 +0 -15.61500000 +0 -0.60200000 +0 C(ATOM 917 CG1 VAL A 61) -9.54900000 +0 -14.29800000 +0 -1.13100000 +0 C(ATOM 918 CG2 VAL A 61) -7.94900000 +0 -15.33500000 +0 0.28900000 +0 H(ATOM 919 H VAL A 61) -11.78402324 +1 -15.83756783 +1 -1.03543549 +1 H(ATOM 920 HA VAL A 61) -9.67691286 +1 -17.41723364 +1 0.44293216 +1 H(ATOM 921 HB VAL A 61) -8.65818904 +1 -16.24453553 +1 -1.47820970 +1 H(ATOM 922 1HG1 VAL A 61) -10.27343859 +1 -14.44370786 +1 -1.94446693 +1 H(ATOM 923 2HG1 VAL A 61) -10.06026882 +1 -13.72500173 +1 -0.34976814 +1 H(ATOM 924 3HG1 VAL A 61) -8.74921205 +1 -13.66145672 +1 -1.53067109 +1 H(ATOM 925 1HG2 VAL A 61) -7.56430560 +1 -16.19770169 +1 0.87941975 +1 H(ATOM 926 2HG2 VAL A 61) -7.02775929 +1 -14.93684616 +1 -0.18525596 +1 H(ATOM 927 3HG2 VAL A 61) -8.16853576 +1 -14.56152836 +1 1.05005923 +1 N(ATOM 928 N ASP A 62) -10.14100000 +0 -15.91700000 +0 2.46300000 +0 C(ATOM 929 CA ASP A 62) -10.47800000 +0 -15.13800000 +0 3.61000000 +0 C(ATOM 930 C ASP A 62) -9.94000000 +0 -13.71900000 +0 3.49100000 +0 O(ATOM 931 O ASP A 62) -10.67400000 +0 -12.76900000 +0 3.68400000 +0 C(ATOM 932 CB ASP A 62) -9.90200000 +0 -15.82500000 +0 4.87400000 +0 C(ATOM 933 CG ASP A 62) -10.22300000 +0 -15.10000000 +0 6.14300000 +0 O(ATOM 934 OD1 ASP A 62) -10.86600000 +0 -14.03900000 +0 6.09300000 +0 O(ATOM 935 OD2 ASP A 62) -9.83600000 +0 -15.60000000 +0 7.22700000 +0 H(ATOM 936 H ASP A 62) -9.28686076 +1 -16.50005087 +1 2.52797182 +1 H(ATOM 937 HA ASP A 62) -11.60853159 +1 -15.05917557 +1 3.71285129 +1 H(ATOM 938 1HB ASP A 62) -8.79171720 +1 -15.94912512 +1 4.78556526 +1 H(ATOM 939 2HB ASP A 62) -10.29444022 +1 -16.87104171 +1 4.93341173 +1 H(ATOM 940 HD2 ASP A 62) -10.05431855 +1 -15.10101209 +1 8.08601790 +1 N(ATOM 941 N ALA A 63) -8.64800000 +0 -13.57400000 +0 3.25200000 +0 C(ATOM 942 CA ALA A 63) -7.98800000 +0 -12.26000000 +0 3.39800000 +0 C(ATOM 943 C ALA A 63) -7.00900000 +0 -12.14400000 +0 2.24900000 +0 O(ATOM 944 O ALA A 63) -6.40900000 +0 -13.13300000 +0 1.88800000 +0 C(ATOM 945 CB ALA A 63) -7.26900000 +0 -12.14900000 +0 4.74500000 +0 H(ATOM 946 H ALA A 63) -7.98620617 +1 -14.35617718 +1 3.15770852 +1 H(ATOM 947 HA ALA A 63) -8.77354596 +1 -11.44554368 +1 3.34609650 +1 H(ATOM 948 1HB ALA A 63) -7.96583767 +1 -12.27930664 +1 5.58272805 +1 H(ATOM 949 2HB ALA A 63) -6.48241122 +1 -12.91060559 +1 4.85720734 +1 H(ATOM 950 3HB ALA A 63) -6.79281197 +1 -11.16691044 +1 4.86589702 +1 N(ATOM 951 N LEU A 64) -6.90900000 +0 -10.95900000 +0 1.62300000 +0 C(ATOM 952 CA LEU A 64) -5.90600000 +0 -10.69900000 +0 0.60600000 +0 C(ATOM 953 C LEU A 64) -5.01400000 +0 -9.62300000 +0 1.14400000 +0 O(ATOM 954 O LEU A 64) -5.49500000 +0 -8.72500000 +0 1.78100000 +0 C(ATOM 955 CB LEU A 64) -6.49800000 +0 -10.20400000 +0 -0.72100000 +0 C(ATOM 956 CG LEU A 64) -7.13600000 +0 -11.23400000 +0 -1.62600000 +0 C(ATOM 957 CD1 LEU A 64) -7.73100000 +0 -10.49500000 +0 -2.84400000 +0 C(ATOM 958 CD2 LEU A 64) -6.15500000 +0 -12.27800000 +0 -2.05700000 +0 H(ATOM 959 H LEU A 64) -7.38586262 +1 -10.11599864 +1 1.99072513 +1 H(ATOM 960 HA LEU A 64) -5.32431950 +1 -11.65535242 +1 0.41055723 +1 H(ATOM 961 1HB LEU A 64) -5.69932837 +1 -9.66978401 +1 -1.28353659 +1 H(ATOM 962 2HB LEU A 64) -7.25443002 +1 -9.41249300 +1 -0.48250718 +1 H(ATOM 963 HG LEU A 64) -7.98006691 +1 -11.72652758 +1 -1.07128567 +1 H(ATOM 964 1HD1 LEU A 64) -8.48670174 +1 -9.76301592 +1 -2.54004048 +1 H(ATOM 965 2HD1 LEU A 64) -6.95721823 +1 -9.96335463 +1 -3.40685100 +1 H(ATOM 966 3HD1 LEU A 64) -8.21572764 +1 -11.19410306 +1 -3.53184555 +1 H(ATOM 967 1HD2 LEU A 64) -5.82580394 +1 -12.90149771 +1 -1.21066982 +1 H(ATOM 968 2HD2 LEU A 64) -6.58242129 +1 -12.96386250 +1 -2.80053566 +1 H(ATOM 969 3HD2 LEU A 64) -5.25086714 +1 -11.84505466 +1 -2.50591898 +1 N(ATOM 970 N HIS A 65) -3.71600000 +0 -9.72500000 +0 0.93600000 +0 C(ATOM 971 CA HIS A 65) -2.78800000 +0 -8.71000000 +0 1.44600000 +0 C(ATOM 972 C HIS A 65) -2.19000000 +0 -7.95400000 +0 0.29300000 +0 O(ATOM 973 O HIS A 65) -1.79200000 +0 -8.55200000 +0 -0.66800000 +0 C(ATOM 974 CB HIS A 65) -1.71200000 +0 -9.37800000 +0 2.24600000 +0 C(ATOM 975 CG HIS A 65) -2.24700000 +0 -10.07000000 +0 3.44600000 +0 N(ATOM 976 ND1 HIS A 65) -2.59400000 +0 -11.40400000 +0 3.43400000 +0 C(ATOM 977 CD2 HIS A 65) -2.58000000 +0 -9.60100000 +0 4.67100000 +0 N(ATOM 978 NE2 HIS A 65) -3.09400000 +0 -10.65300000 +0 5.38200000 +0 C(ATOM 979 CE1 HIS A 65) -3.09200000 +0 -11.72200000 +0 4.61800000 +0 H(ATOM 980 H HIS A 65) -3.27534716 +1 -10.48192794 +1 0.40310791 +1 H(ATOM 981 HA HIS A 65) -3.37539727 +1 -8.00736148 +1 2.12672013 +1 H(ATOM 982 1HB HIS A 65) -0.94311439 +1 -8.62853728 +1 2.57207783 +1 H(ATOM 983 2HB HIS A 65) -1.12056540 +1 -10.08837864 +1 1.61314876 +1 H(ATOM 984 HD1 HIS A 65) -2.41720346 +1 -12.01536903 +1 2.64548202 +1 H(ATOM 985 HD2 HIS A 65) -2.49555496 +1 -8.61848098 +1 5.11226208 +1 H(ATOM 986 HE1 HIS A 65) -3.67718258 +1 -12.59594554 +1 4.83100991 +1 N(ATOM 987 N LYS A 66) -2.13500000 +0 -6.63800000 +0 0.37100000 +0 C(ATOM 988 CA LYS A 66) -1.42400000 +0 -5.87300000 +0 -0.68500000 +0 C(ATOM 989 C LYS A 66) 0.07900000 +0 -6.11000000 +0 -0.59300000 +0 O(ATOM 990 O LYS A 66) 0.64400000 +0 -5.90500000 +0 0.50500000 +0 C(ATOM 991 CB LYS A 66) -1.63400000 +0 -4.39400000 +0 -0.45600000 +0 C(ATOM 992 CG LYS A 66) -3.10000000 +0 -3.96400000 +0 -0.61100000 +0 C(ATOM 993 CD LYS A 66) -3.28600000 +0 -2.47400000 +0 -0.26400000 +0 C(ATOM 994 CE LYS A 66) -4.22300000 +0 -2.20800000 +0 0.88600000 +0 N(ATOM 995 NZ LYS A 66) -3.89100000 +0 -0.89900000 +0 1.38900000 +0 H(ATOM 996 H LYS A 66) -2.36253544 +1 -6.08969347 +1 1.21235556 +1 H(ATOM 997 HA LYS A 66) -1.83177838 +1 -6.19653183 +1 -1.68446666 +1 H(ATOM 998 1HB LYS A 66) -1.26025190 +1 -4.11233889 +1 0.55900465 +1 H(ATOM 999 2HB LYS A 66) -1.00535684 +1 -3.81397017 +1 -1.16721338 +1 H(ATOM 1000 1HG LYS A 66) -3.43648131 +1 -4.16255376 +1 -1.64617202 +1 H(ATOM 1001 2HG LYS A 66) -3.74417146 +1 -4.58827337 +1 0.04219559 +1 H(ATOM 1002 1HD LYS A 66) -3.63743384 +1 -1.92935165 +1 -1.16516974 +1 H(ATOM 1003 2HD LYS A 66) -2.28396983 +1 -2.03094602 +1 -0.05470073 +1 H(ATOM 1004 1HE LYS A 66) -5.29222319 +1 -2.22262727 +1 0.56541761 +1 H(ATOM 1005 2HE LYS A 66) -4.13654291 +1 -3.01581934 +1 1.65948957 +1 H(ATOM 1006 1HZ LYS A 66) -4.16484867 +1 -0.77607881 +1 2.35954992 +1 H(ATOM 1007 2HZ LYS A 66) -2.89837638 +1 -0.68469394 +1 1.32906823 +1 N(ATOM 1008 N VAL A 67) 0.72200000 +0 -6.55000000 +0 -1.66200000 +0 C(ATOM 1009 CA VAL A 67) 2.15900000 +0 -6.77500000 +0 -1.60400000 +0 C(ATOM 1010 C VAL A 67) 2.92900000 +0 -5.98100000 +0 -2.63200000 +0 O(ATOM 1011 O VAL A 67) 4.15000000 +0 -5.84900000 +0 -2.49500000 +0 C(ATOM 1012 CB VAL A 67) 2.53100000 +0 -8.22800000 +0 -1.80400000 +0 C(ATOM 1013 CG1 VAL A 67) 2.08500000 +0 -9.04500000 +0 -0.58200000 +0 C(ATOM 1014 CG2 VAL A 67) 1.98000000 +0 -8.82800000 +0 -3.16600000 +0 H(ATOM 1015 H VAL A 67) 0.23012189 +1 -6.90341609 +1 -2.48849663 +1 H(ATOM 1016 HA VAL A 67) 2.53820601 +1 -6.43480072 +1 -0.58191501 +1 H(ATOM 1017 HB VAL A 67) 3.65528935 +1 -8.30123498 +1 -1.86123093 +1 H(ATOM 1018 1HG1 VAL A 67) 2.37218802 +1 -8.55899406 +1 0.35739285 +1 H(ATOM 1019 2HG1 VAL A 67) 0.99652982 +1 -9.17347974 +1 -0.55840104 +1 H(ATOM 1020 3HG1 VAL A 67) 2.55110081 +1 -10.03723436 +1 -0.58249406 +1 H(ATOM 1021 1HG2 VAL A 67) 2.32067064 +1 -8.23182740 +1 -4.01236847 +1 H(ATOM 1022 2HG2 VAL A 67) 2.34517061 +1 -9.85246838 +1 -3.28300351 +1 H(ATOM 1023 3HG2 VAL A 67) 0.88986525 +1 -8.86877029 +1 -3.16313906 +1 N(ATOM 1024 N GLY A 68) 2.25500000 +0 -5.41800000 +0 -3.64000000 +0 C(ATOM 1025 CA GLY A 68) 2.97800000 +0 -4.68500000 +0 -4.63300000 +0 C(ATOM 1026 C GLY A 68) 2.14700000 +0 -3.91300000 +0 -5.63700000 +0 O(ATOM 1027 O GLY A 68) 0.94300000 +0 -4.03900000 +0 -5.73200000 +0 H(ATOM 1028 H GLY A 68) 1.25858237 +1 -5.56055615 +1 -3.81175345 +1 H(ATOM 1029 1HA GLY A 68) 3.66928352 +1 -5.37724177 +1 -5.20079206 +1 H(ATOM 1030 2HA GLY A 68) 3.70011622 +1 -3.97367731 +1 -4.11968562 +1 N(ATOM 1031 N GLN A 69) 2.81000000 +0 -3.03700000 +0 -6.37100000 +0 C(ATOM 1032 CA GLN A 69) 2.18900000 +0 -2.31100000 +0 -7.45300000 +0 C(ATOM 1033 C GLN A 69) 3.23700000 +0 -2.34300000 +0 -8.58900000 +0 O(ATOM 1034 O GLN A 69) 4.41800000 +0 -2.13300000 +0 -8.34000000 +0 C(ATOM 1035 CB GLN A 69) 1.85000000 +0 -0.86000000 +0 -7.05700000 +0 C(ATOM 1036 CG GLN A 69) 1.30300000 +0 -0.04100000 +0 -8.16900000 +0 C(ATOM 1037 CD GLN A 69) 1.04200000 +0 1.43900000 +0 -7.80900000 +0 O(ATOM 1038 OE1 GLN A 69) 1.79000000 +0 2.05900000 +0 -7.01900000 +0 N(ATOM 1039 NE2 GLN A 69) -0.00100000 +0 2.01400000 +0 -8.40800000 +0 H(ATOM 1040 H GLN A 69) 3.82097640 +1 -2.85587412 +1 -6.24255649 +1 H(ATOM 1041 HA GLN A 69) 1.23102320 +1 -2.82541330 +1 -7.77221059 +1 H(ATOM 1042 1HB GLN A 69) 2.76049381 +1 -0.36379272 +1 -6.63882096 +1 H(ATOM 1043 2HB GLN A 69) 1.13742867 +1 -0.88855325 +1 -6.19971232 +1 H(ATOM 1044 1HG GLN A 69) 2.01397107 +1 -0.01201711 +1 -9.03220039 +1 H(ATOM 1045 2HG GLN A 69) 0.37463936 +1 -0.49530144 +1 -8.59096921 +1 H(ATOM 1046 1HE2 GLN A 69) -0.59684547 +1 1.47883390 +1 -9.06650182 +1 H(ATOM 1047 2HE2 GLN A 69) -0.26523212 +1 2.96797941 +1 -8.23568882 +1 N(ATOM 1048 N ILE A 70) 2.78000000 +0 -2.62900000 +0 -9.78300000 +0 C(ATOM 1049 CA ILE A 70) 3.58100000 +0 -2.61900000 +0 -10.97500000 +0 C(ATOM 1050 C ILE A 70) 2.80400000 +0 -1.80700000 +0 -11.99000000 +0 O(ATOM 1051 O ILE A 70) 1.63200000 +0 -2.14200000 +0 -12.28200000 +0 C(ATOM 1052 CB ILE A 70) 3.83300000 +0 -4.00700000 +0 -11.54400000 +0 C(ATOM 1053 CG1 ILE A 70) 4.31800000 +0 -4.96400000 +0 -10.43700000 +0 C(ATOM 1054 CG2 ILE A 70) 4.88900000 +0 -3.93500000 +0 -12.65000000 +0 C(ATOM 1055 CD1 ILE A 70) 4.31000000 +0 -6.43200000 +0 -10.82100000 +0 H(ATOM 1056 H ILE A 70) 1.76045572 +1 -2.77528269 +1 -9.95472973 +1 H(ATOM 1057 HA ILE A 70) 4.58640829 +1 -2.13693690 +1 -10.74097751 +1 H(ATOM 1058 HB ILE A 70) 2.88094603 +1 -4.41487856 +1 -11.97451730 +1 H(ATOM 1059 1HG1 ILE A 70) 3.68511890 +1 -4.84161303 +1 -9.53329619 +1 H(ATOM 1060 2HG1 ILE A 70) 5.33983541 +1 -4.66500709 +1 -10.12545319 +1 H(ATOM 1061 1HG2 ILE A 70) 4.54928111 +1 -3.32205550 +1 -13.49728007 +1 H(ATOM 1062 2HG2 ILE A 70) 5.83407940 +1 -3.51886948 +1 -12.29072575 +1 H(ATOM 1063 3HG2 ILE A 70) 5.09806540 +1 -4.93427057 +1 -13.05844480 +1 H(ATOM 1064 1HD1 ILE A 70) 4.74254271 +1 -7.05950647 +1 -10.03169365 +1 H(ATOM 1065 2HD1 ILE A 70) 3.29563310 +1 -6.79961767 +1 -11.01462024 +1 H(ATOM 1066 3HD1 ILE A 70) 4.89676361 +1 -6.62125496 +1 -11.73012413 +1 N(ATOM 1067 N VAL A 71) 3.47600000 +0 -0.80100000 +0 -12.56800000 +0 C(ATOM 1068 CA VAL A 71) 2.91400000 +0 0.02500000 +0 -13.66600000 +0 C(ATOM 1069 C VAL A 71) 3.60000000 +0 -0.37900000 +0 -14.91800000 +0 O(ATOM 1070 O VAL A 71) 4.82600000 +0 -0.54300000 +0 -14.93200000 +0 C(ATOM 1071 CB VAL A 71) 3.15100000 +0 1.51700000 +0 -13.39600000 +0 C(ATOM 1072 CG1 VAL A 71) 2.83700000 +0 2.38400000 +0 -14.67800000 +0 C(ATOM 1073 CG2 VAL A 71) 2.32900000 +0 1.92700000 +0 -12.07800000 +0 H(ATOM 1074 H VAL A 71) 4.44016622 +1 -0.57211987 +1 -12.30594996 +1 H(ATOM 1075 HA VAL A 71) 1.79453490 +1 -0.17184836 +1 -13.70297013 +1 H(ATOM 1076 HB VAL A 71) 4.22609812 +1 1.68599760 +1 -13.15086604 +1 H(ATOM 1077 1HG1 VAL A 71) 3.51317172 +1 2.13715924 +1 -15.49675986 +1 H(ATOM 1078 2HG1 VAL A 71) 1.80817448 +1 2.22263715 +1 -15.00821231 +1 H(ATOM 1079 3HG1 VAL A 71) 2.94757020 +1 3.44665592 +1 -14.43897862 +1 H(ATOM 1080 1HG2 VAL A 71) 2.75077883 +1 1.41538135 +1 -11.21083548 +1 H(ATOM 1081 2HG2 VAL A 71) 2.40012944 +1 3.00372528 +1 -11.91904579 +1 H(ATOM 1082 3HG2 VAL A 71) 1.27813119 +1 1.65637070 +1 -12.17549098 +1 N(ATOM 1083 N PHE A 72) 2.81300000 +0 -0.62800000 +0 -15.93700000 +0 C(ATOM 1084 CA PHE A 72) 3.35000000 +0 -0.99200000 +0 -17.23200000 +0 C(ATOM 1085 C PHE A 72) 3.03400000 +0 0.04800000 +0 -18.30100000 +0 O(ATOM 1086 O PHE A 72) 1.87800000 +0 0.48200000 +0 -18.46800000 +0 C(ATOM 1087 CB PHE A 72) 2.73900000 +0 -2.32000000 +0 -17.67600000 +0 C(ATOM 1088 CG PHE A 72) 3.11500000 +0 -3.48500000 +0 -16.84300000 +0 C(ATOM 1089 CD1 PHE A 72) 4.32400000 +0 -4.07900000 +0 -16.98200000 +0 C(ATOM 1090 CD2 PHE A 72) 2.25900000 +0 -3.99300000 +0 -15.89100000 +0 C(ATOM 1091 CE1 PHE A 72) 4.66500000 +0 -5.15900000 +0 -16.25700000 +0 C(ATOM 1092 CE2 PHE A 72) 2.65500000 +0 -5.06700000 +0 -15.15000000 +0 C(ATOM 1093 CZ PHE A 72) 3.82600000 +0 -5.62600000 +0 -15.30800000 +0 H(ATOM 1094 H PHE A 72) 1.78490573 +1 -0.56279116 +1 -15.88289297 +1 H(ATOM 1095 HA PHE A 72) 4.48112597 +1 -1.12839350 +1 -17.13358885 +1 H(ATOM 1096 1HB PHE A 72) 3.02256063 +1 -2.51816456 +1 -18.74061807 +1 H(ATOM 1097 2HB PHE A 72) 1.62679269 +1 -2.21758059 +1 -17.72431494 +1 H(ATOM 1098 HD1 PHE A 72) 5.03023751 +1 -3.67607832 +1 -17.72595356 +1 H(ATOM 1099 HD2 PHE A 72) 1.27542725 +1 -3.54408961 +1 -15.73266321 +1 H(ATOM 1100 HE1 PHE A 72) 5.63287051 +1 -5.65552247 +1 -16.41029187 +1 H(ATOM 1101 HE2 PHE A 72) 1.95008988 +1 -5.45350489 +1 -14.39180576 +1 H(ATOM 1102 HZ PHE A 72) 4.13587309 +1 -6.50465792 +1 -14.70784575 +1 N(ATOM 1103 N GLU A 73) 4.06400000 +0 0.37800000 +0 -19.10300000 +0 C(ATOM 1104 CA GLU A 73) 3.90800000 +0 1.04200000 +0 -20.34600000 +0 C(ATOM 1105 C GLU A 73) 4.11500000 +0 0.06000000 +0 -21.46800000 +0 O(ATOM 1106 O GLU A 73) 5.11200000 +0 -0.67300000 +0 -21.49900000 +0 C(ATOM 1107 CB GLU A 73) 4.85800000 +0 2.21900000 +0 -20.54600000 +0 C(ATOM 1108 CG GLU A 73) 4.66200000 +0 2.89700000 +0 -21.94000000 +0 C(ATOM 1109 CD GLU A 73) 5.78400000 +0 3.87500000 +0 -22.35100000 +0 O(ATOM 1110 OE1 GLU A 73) 6.50800000 +0 4.35600000 +0 -21.48900000 +0 O(ATOM 1111 OE2 GLU A 73) 5.93700000 +0 4.12300000 +0 -23.56400000 +0 H(ATOM 1112 H GLU A 73) 4.99124831 +1 -0.06378655 +1 -18.95002800 +1 H(ATOM 1113 HA GLU A 73) 2.83697824 +1 1.46684864 +1 -20.39768100 +1 H(ATOM 1114 1HB GLU A 73) 4.69993447 +1 2.97847332 +1 -19.75374762 +1 H(ATOM 1115 2HB GLU A 73) 5.91376422 +1 1.88803854 +1 -20.45610565 +1 H(ATOM 1116 1HG GLU A 73) 3.70508699 +1 3.46936512 +1 -21.94912114 +1 H(ATOM 1117 2HG GLU A 73) 4.55514766 +1 2.14382040 +1 -22.74487530 +1 H(ATOM 1118 HE2 GLU A 73) 6.49713974 +1 4.86105259 +1 -23.95903092 +1 N(ATOM 1119 N PHE A 74) 3.16600000 +0 0.04700000 +0 -22.39500000 +0 C(ATOM 1120 CA PHE A 74) 3.36700000 +0 -0.64300000 +0 -23.63600000 +0 C(ATOM 1121 C PHE A 74) 3.52500000 +0 0.40800000 +0 -24.70900000 +0 O(ATOM 1122 O PHE A 74) 2.60900000 +0 1.22900000 +0 -24.92400000 +0 C(ATOM 1123 CB PHE A 74) 2.20100000 +0 -1.63700000 +0 -23.92300000 +0 C(ATOM 1124 CG PHE A 74) 2.29800000 +0 -2.90100000 +0 -23.14400000 +0 C(ATOM 1125 CD1 PHE A 74) 3.01800000 +0 -3.95300000 +0 -23.64000000 +0 C(ATOM 1126 CD2 PHE A 74) 1.73600000 +0 -3.01700000 +0 -21.86600000 +0 C(ATOM 1127 CE1 PHE A 74) 3.13900000 +0 -5.10500000 +0 -22.90800000 +0 C(ATOM 1128 CE2 PHE A 74) 1.90800000 +0 -4.14500000 +0 -21.11600000 +0 C(ATOM 1129 CZ PHE A 74) 2.58200000 +0 -5.20100000 +0 -21.67700000 +0 H(ATOM 1130 H PHE A 74) 2.32475998 +1 0.66507880 +1 -22.36003911 +1 H(ATOM 1131 HA PHE A 74) 4.31560910 +1 -1.28157915 +1 -23.57106141 +1 H(ATOM 1132 1HB PHE A 74) 2.18868032 +1 -1.85177908 +1 -25.01348551 +1 H(ATOM 1133 2HB PHE A 74) 1.23203753 +1 -1.12200985 +1 -23.72709986 +1 H(ATOM 1134 HD1 PHE A 74) 3.49745128 +1 -3.88655579 +1 -24.62185385 +1 H(ATOM 1135 HD2 PHE A 74) 1.17819473 +1 -2.16743921 +1 -21.46423904 +1 H(ATOM 1136 HE1 PHE A 74) 3.70648974 +1 -5.94337874 +1 -23.33060198 +1 H(ATOM 1137 HE2 PHE A 74) 1.50901061 +1 -4.22276449 +1 -20.10209942 +1 H(ATOM 1138 HZ PHE A 74) 2.68693564 +1 -6.13800131 +1 -21.10378903 +1 N(ATOM 1139 N VAL A 75) 4.66100000 +0 0.40200000 +0 -25.40700000 +0 C(ATOM 1140 CA VAL A 75) 4.92600000 +0 1.42000000 +0 -26.36900000 +0 C(ATOM 1141 C VAL A 75) 3.76300000 +0 1.52700000 +0 -27.36800000 +0 O(ATOM 1142 O VAL A 75) 3.30100000 +0 0.52400000 +0 -27.86400000 +0 C(ATOM 1143 CB VAL A 75) 6.24800000 +0 1.14800000 +0 -27.15700000 +0 C(ATOM 1144 CG1 VAL A 75) 6.41500000 +0 2.09900000 +0 -28.27700000 +0 C(ATOM 1145 CG2 VAL A 75) 7.44300000 +0 1.25200000 +0 -26.21500000 +0 H(ATOM 1146 H VAL A 75) 5.39754584 +1 -0.30013114 +1 -25.23852141 +1 H(ATOM 1147 HA VAL A 75) 5.04818323 +1 2.41128185 +1 -25.82768378 +1 H(ATOM 1148 HB VAL A 75) 6.19037210 +1 0.09744882 +1 -27.55753598 +1 H(ATOM 1149 1HG1 VAL A 75) 5.65241481 +1 1.98883572 +1 -29.06488388 +1 H(ATOM 1150 2HG1 VAL A 75) 6.38725864 +1 3.15330122 +1 -27.95987335 +1 H(ATOM 1151 3HG1 VAL A 75) 7.38193431 +1 1.97031163 +1 -28.79298069 +1 H(ATOM 1152 1HG2 VAL A 75) 7.39625967 +1 0.51180366 +1 -25.40182089 +1 H(ATOM 1153 2HG2 VAL A 75) 8.38404949 +1 1.08155400 +1 -26.75311647 +1 H(ATOM 1154 3HG2 VAL A 75) 7.50631630 +1 2.24623065 +1 -25.75785449 +1 N(ATOM 1155 N GLY A 76) 3.28600000 +0 2.75200000 +0 -27.60500000 +0 C(ATOM 1156 CA GLY A 76) 2.24400000 +0 3.02900000 +0 -28.57300000 +0 C(ATOM 1157 C GLY A 76) 0.84300000 +0 2.85900000 +0 -27.99600000 +0 O(ATOM 1158 O GLY A 76) -0.11900000 +0 3.21800000 +0 -28.66500000 +0 H(ATOM 1159 H GLY A 76) 3.67952081 +1 3.57253846 +1 -27.13322826 +1 H(ATOM 1160 1HA GLY A 76) 2.33833697 +1 2.35820530 +1 -29.47006414 +1 H(ATOM 1161 2HA GLY A 76) 2.35583881 +1 4.07579906 +1 -28.96357872 +1 N(ATOM 1162 N GLU A 77) 0.71600000 +0 2.34900000 +0 -26.78500000 +0 C(ATOM 1163 CA GLU A 77) -0.57100000 +0 2.21800000 +0 -26.14400000 +0 C(ATOM 1164 C GLU A 77) -0.77600000 +0 3.36500000 +0 -25.14400000 +0 O(ATOM 1165 O GLU A 77) 0.08200000 +0 3.56700000 +0 -24.27800000 +0 C(ATOM 1166 CB GLU A 77) -0.68800000 +0 0.91400000 +0 -25.41600000 +0 C(ATOM 1167 CG GLU A 77) -0.54400000 +0 -0.32000000 +0 -26.34300000 +0 C(ATOM 1168 CD GLU A 77) -0.93100000 +0 -1.68200000 +0 -25.61700000 +0 O(ATOM 1169 OE1 GLU A 77) -1.20600000 +0 -1.69300000 +0 -24.37900000 +0 O(ATOM 1170 OE2 GLU A 77) -0.98200000 +0 -2.75800000 +0 -26.28400000 +0 H(ATOM 1171 H GLU A 77) 1.52326603 +1 2.09784766 +1 -26.19155253 +1 H(ATOM 1172 HA GLU A 77) -1.37246602 +1 2.25606559 +1 -26.95332937 +1 H(ATOM 1173 1HB GLU A 77) 0.08799582 +1 0.84539611 +1 -24.61199178 +1 H(ATOM 1174 2HB GLU A 77) -1.65967236 +1 0.85710569 +1 -24.87720233 +1 H(ATOM 1175 1HG GLU A 77) -1.21025349 +1 -0.24152661 +1 -27.22618826 +1 H(ATOM 1176 2HG GLU A 77) 0.48984717 +1 -0.42451910 +1 -26.71555703 +1 H(ATOM 1177 HE1 GLU A 77) -1.52220673 +1 -2.57672607 +1 -23.99903458 +1 N(ATOM 1178 N PRO A 78) -1.90600000 +0 4.06400000 +0 -25.24800000 +0 C(ATOM 1179 CA PRO A 78) -2.05600000 +0 5.26300000 +0 -24.41800000 +0 C(ATOM 1180 C PRO A 78) -2.21300000 +0 5.07900000 +0 -22.92400000 +0 O(ATOM 1181 O PRO A 78) -1.73400000 +0 5.92000000 +0 -22.16900000 +0 C(ATOM 1182 CB PRO A 78) -3.28000000 +0 5.95600000 +0 -25.01100000 +0 C(ATOM 1183 CG PRO A 78) -4.04600000 +0 4.92600000 +0 -25.71700000 +0 C(ATOM 1184 CD PRO A 78) -3.00700000 +0 3.93600000 +0 -26.23900000 +0 H(ATOM 1185 HA PRO A 78) -1.12723088 +1 5.90592646 +1 -24.55272198 +1 H(ATOM 1186 1HB PRO A 78) -2.95522354 +1 6.77782993 +1 -25.69315831 +1 H(ATOM 1187 2HB PRO A 78) -3.87679594 +1 6.48667813 +1 -24.23512357 +1 H(ATOM 1188 1HG PRO A 78) -4.77826149 +1 4.40623456 +1 -25.05688429 +1 H(ATOM 1189 2HG PRO A 78) -4.66702706 +1 5.32850537 +1 -26.54617308 +1 H(ATOM 1190 1HD PRO A 78) -3.38987394 +1 2.89183777 +1 -26.25402326 +1 H(ATOM 1191 2HD PRO A 78) -2.64172893 +1 4.19516107 +1 -27.25652230 +1 N(ATOM 1192 N GLU A 79) -2.88700000 +0 4.02200000 +0 -22.48700000 +0 C(ATOM 1193 CA GLU A 79) -3.09400000 +0 3.79500000 +0 -21.05900000 +0 C(ATOM 1194 C GLU A 79) -1.96500000 +0 2.97700000 +0 -20.47500000 +0 O(ATOM 1195 O GLU A 79) -1.58800000 +0 1.88000000 +0 -21.00200000 +0 C(ATOM 1196 CB GLU A 79) -4.40600000 +0 3.06600000 +0 -20.77800000 +0 C(ATOM 1197 CG GLU A 79) -5.67200000 +0 3.76100000 +0 -21.10400000 +0 C(ATOM 1198 CD GLU A 79) -6.88600000 +0 2.80000000 +0 -20.88800000 +0 O(ATOM 1199 OE1 GLU A 79) -6.68900000 +0 1.58300000 +0 -20.57600000 +0 O(ATOM 1200 OE2 GLU A 79) -8.04300000 +0 3.24800000 +0 -21.05800000 +0 H(ATOM 1201 H GLU A 79) -3.26689138 +1 3.29955007 +1 -23.11700458 +1 H(ATOM 1202 HA GLU A 79) -3.13949835 +1 4.81875209 +1 -20.55651725 +1 H(ATOM 1203 1HB GLU A 79) -4.40524876 +1 2.76462550 +1 -19.69771978 +1 H(ATOM 1204 2HB GLU A 79) -4.37036665 +1 2.08008553 +1 -21.32005016 +1 H(ATOM 1205 1HG GLU A 79) -5.84866232 +1 4.67586720 +1 -20.49458221 +1 H(ATOM 1206 2HG GLU A 79) -5.71900164 +1 4.10835645 +1 -22.16334471 +1 H(ATOM 1207 HE1 GLU A 79) -7.49770836 +1 0.97940795 +1 -20.53973764 +1 N(ATOM 1208 N LEU A 80) -1.47200000 +0 3.45500000 +0 -19.34600000 +0 C(ATOM 1209 CA LEU A 80) -0.57000000 +0 2.63900000 +0 -18.55500000 +0 C(ATOM 1210 C LEU A 80) -1.44200000 +0 1.63700000 +0 -17.82700000 +0 O(ATOM 1211 O LEU A 80) -2.62900000 +0 1.87700000 +0 -17.66600000 +0 C(ATOM 1212 CB LEU A 80) 0.18400000 +0 3.45400000 +0 -17.53400000 +0 C(ATOM 1213 CG LEU A 80) 1.13700000 +0 4.51000000 +0 -18.10300000 +0 C(ATOM 1214 CD1 LEU A 80) 1.65400000 +0 5.35200000 +0 -16.94400000 +0 C(ATOM 1215 CD2 LEU A 80) 2.24000000 +0 4.00900000 +0 -19.00400000 +0 H(ATOM 1216 H LEU A 80) -1.81769854 +1 4.31796086 +1 -18.90275422 +1 H(ATOM 1217 HA LEU A 80) 0.16365811 +1 2.10696191 +1 -19.24623037 +1 H(ATOM 1218 1HB LEU A 80) -0.52823006 +1 3.95687282 +1 -16.84121678 +1 H(ATOM 1219 2HB LEU A 80) 0.77804298 +1 2.76156124 +1 -16.89071692 +1 H(ATOM 1220 HG LEU A 80) 0.50299784 +1 5.19933031 +1 -18.74007407 +1 H(ATOM 1221 1HD1 LEU A 80) 0.83678258 +1 5.81236886 +1 -16.37552999 +1 H(ATOM 1222 2HD1 LEU A 80) 2.25034352 +1 4.75918600 +1 -16.24009423 +1 H(ATOM 1223 3HD1 LEU A 80) 2.29575159 +1 6.16934130 +1 -17.29857487 +1 H(ATOM 1224 1HD2 LEU A 80) 1.83967268 +1 3.60401756 +1 -19.94528475 +1 H(ATOM 1225 2HD2 LEU A 80) 2.93444989 +1 4.81591708 +1 -19.27352563 +1 H(ATOM 1226 3HD2 LEU A 80) 2.81917909 +1 3.20794744 +1 -18.52653691 +1 N(ATOM 1227 N MET A 81) -0.87500000 +0 0.49600000 +0 -17.48800000 +0 C(ATOM 1228 CA MET A 81) -1.60200000 +0 -0.51000000 +0 -16.71900000 +0 C(ATOM 1229 C MET A 81) -1.06000000 +0 -0.40200000 +0 -15.31800000 +0 O(ATOM 1230 O MET A 81) 0.16800000 +0 -0.54800000 +0 -15.10100000 +0 C(ATOM 1231 CB MET A 81) -1.28500000 +0 -1.89000000 +0 -17.27700000 +0 C(ATOM 1232 CG MET A 81) -1.45400000 +0 -2.03700000 +0 -18.73400000 +0 S(ATOM 1233 SD MET A 81) -1.15900000 +0 -3.76300000 +0 -19.36200000 +0 C(ATOM 1234 CE MET A 81) -2.63400000 +0 -4.61100000 +0 -18.76200000 +0 H(ATOM 1235 H MET A 81) 0.13075758 +1 0.30910134 +1 -17.64065876 +1 H(ATOM 1236 HA MET A 81) -2.71282914 +1 -0.31275514 +1 -16.78265361 +1 H(ATOM 1237 1HB MET A 81) -1.92102102 +1 -2.63111883 +1 -16.72602463 +1 H(ATOM 1238 2HB MET A 81) -0.24088287 +1 -2.17598456 +1 -16.97562645 +1 H(ATOM 1239 1HG MET A 81) -2.45879484 +1 -1.71193230 +1 -19.07321525 +1 H(ATOM 1240 2HG MET A 81) -0.74289097 +1 -1.40175995 +1 -19.30640915 +1 H(ATOM 1241 1HE MET A 81) -2.42507175 +1 -5.69725790 +1 -18.74004525 +1 H(ATOM 1242 2HE MET A 81) -2.90586380 +1 -4.33604073 +1 -17.73756064 +1 H(ATOM 1243 3HE MET A 81) -3.50325870 +1 -4.45329278 +1 -19.40933604 +1 N(ATOM 1244 N ASP A 82) -1.96400000 +0 -0.25900000 +0 -14.36400000 +0 C(ATOM 1245 CA ASP A 82) -1.61900000 +0 -0.10500000 +0 -12.98100000 +0 C(ATOM 1246 C ASP A 82) -2.12700000 +0 -1.33700000 +0 -12.31000000 +0 O(ATOM 1247 O ASP A 82) -3.35100000 +0 -1.40900000 +0 -11.98300000 +0 C(ATOM 1248 CB ASP A 82) -2.32400000 +0 1.13300000 +0 -12.39300000 +0 C(ATOM 1249 CG ASP A 82) -2.09500000 +0 1.31900000 +0 -10.93900000 +0 O(ATOM 1250 OD1 ASP A 82) -1.26500000 +0 0.58700000 +0 -10.34600000 +0 O(ATOM 1251 OD2 ASP A 82) -2.80700000 +0 2.20700000 +0 -10.37100000 +0 H(ATOM 1252 H ASP A 82) -2.95878794 +1 -0.08808006 +1 -14.60181703 +1 H(ATOM 1253 HA ASP A 82) -0.49790822 +1 0.02581721 +1 -12.84290978 +1 H(ATOM 1254 1HB ASP A 82) -3.42452172 +1 1.06345604 +1 -12.57285983 +1 H(ATOM 1255 2HB ASP A 82) -1.99373372 +1 2.04900510 +1 -12.93234598 +1 N(ATOM 1256 N VAL A 83) -1.20200000 +0 -2.26700000 +0 -12.12400000 +0 C(ATOM 1257 CA VAL A 83) -1.44800000 +0 -3.59700000 +0 -11.56200000 +0 C(ATOM 1258 C VAL A 83) -1.25600000 +0 -3.63300000 +0 -10.03700000 +0 O(ATOM 1259 O VAL A 83) -0.16300000 +0 -3.41500000 +0 -9.50900000 +0 C(ATOM 1260 CB VAL A 83) -0.61100000 +0 -4.71600000 +0 -12.26200000 +0 C(ATOM 1261 CG1 VAL A 83) -0.97400000 +0 -6.06000000 +0 -11.58200000 +0 C(ATOM 1262 CG2 VAL A 83) -0.83800000 +0 -4.69100000 +0 -13.79800000 +0 H(ATOM 1263 H VAL A 83) -0.22262657 +1 -2.10095814 +1 -12.42894422 +1 H(ATOM 1264 HA VAL A 83) -2.54178494 +1 -3.83408798 +1 -11.77461165 +1 H(ATOM 1265 HB VAL A 83) 0.47460914 +1 -4.50387615 +1 -12.07594694 +1 H(ATOM 1266 1HG1 VAL A 83) -0.67523435 +1 -6.06639355 +1 -10.52898870 +1 H(ATOM 1267 2HG1 VAL A 83) -2.04374128 +1 -6.27131672 +1 -11.64124620 +1 H(ATOM 1268 3HG1 VAL A 83) -0.44554744 +1 -6.88695383 +1 -12.07371191 +1 H(ATOM 1269 1HG2 VAL A 83) -0.46820024 +1 -3.75532686 +1 -14.23201083 +1 H(ATOM 1270 2HG2 VAL A 83) -0.29828651 +1 -5.51283974 +1 -14.28351964 +1 H(ATOM 1271 3HG2 VAL A 83) -1.89316553 +1 -4.79284320 +1 -14.06140361 +1 N(ATOM 1272 N HIS A 84) -2.33900000 +0 -3.87200000 +0 -9.31600000 +0 C(ATOM 1273 CA HIS A 84) -2.24600000 +0 -4.00700000 +0 -7.89100000 +0 C(ATOM 1274 C HIS A 84) -2.07200000 +0 -5.51600000 +0 -7.56300000 +0 O(ATOM 1275 O HIS A 84) -2.93900000 +0 -6.32500000 +0 -7.88300000 +0 C(ATOM 1276 CB HIS A 84) -3.50500000 +0 -3.44600000 +0 -7.25900000 +0 C(ATOM 1277 CG HIS A 84) -3.54900000 +0 -1.94700000 +0 -7.19300000 +0 N(ATOM 1278 ND1 HIS A 84) -3.40500000 +0 -1.11600000 +0 -8.29600000 +0 C(ATOM 1279 CD2 HIS A 84) -3.72100000 +0 -1.13900000 +0 -6.14700000 +0 N(ATOM 1280 NE2 HIS A 84) -3.69300000 +0 0.15900000 +0 -6.60100000 +0 C(ATOM 1281 CE1 HIS A 84) -3.47900000 +0 0.14700000 +0 -7.90200000 +0 H(ATOM 1282 H HIS A 84) -3.22704523 +1 -4.20394110 +1 -9.73737087 +1 H(ATOM 1283 HA HIS A 84) -1.34074112 +1 -3.43530855 +1 -7.50372540 +1 H(ATOM 1284 1HB HIS A 84) -3.61875875 +1 -3.85361400 +1 -6.22071126 +1 H(ATOM 1285 2HB HIS A 84) -4.41157015 +1 -3.82282346 +1 -7.79847954 +1 H(ATOM 1286 HD1 HIS A 84) -3.19540025 +1 -1.45992213 +1 -9.23583333 +1 H(ATOM 1287 HD2 HIS A 84) -3.90507954 +1 -1.33709306 +1 -5.08914368 +1 H(ATOM 1288 HE2 HIS A 84) -3.76319264 +1 0.99351961 +1 -6.00941436 +1 H(ATOM 1289 HE1 HIS A 84) -3.36794927 +1 1.02199553 +1 -8.58675661 +1 N(ATOM 1290 N VAL A 85) -0.95900000 +0 -5.87700000 +0 -6.92300000 +0 C(ATOM 1291 CA VAL A 85) -0.58900000 +0 -7.27000000 +0 -6.62800000 +0 C(ATOM 1292 C VAL A 85) -0.95500000 +0 -7.61600000 +0 -5.16700000 +0 O(ATOM 1293 O VAL A 85) -0.71200000 +0 -6.82000000 +0 -4.25000000 +0 C(ATOM 1294 CB VAL A 85) 0.92400000 +0 -7.49900000 +0 -6.86300000 +0 C(ATOM 1295 CG1 VAL A 85) 1.29200000 +0 -9.03200000 +0 -6.70600000 +0 C(ATOM 1296 CG2 VAL A 85) 1.25400000 +0 -6.93200000 +0 -8.23800000 +0 H(ATOM 1297 H VAL A 85) -0.23979052 +1 -5.20296864 +1 -6.62358333 +1 H(ATOM 1298 HA VAL A 85) -1.17605639 +1 -7.94662790 +1 -7.32444210 +1 H(ATOM 1299 HB VAL A 85) 1.50302864 +1 -6.94413143 +1 -6.08429895 +1 H(ATOM 1300 1HG1 VAL A 85) 1.04574641 +1 -9.39314763 +1 -5.70475064 +1 H(ATOM 1301 2HG1 VAL A 85) 0.74352799 +1 -9.63638026 +1 -7.43237304 +1 H(ATOM 1302 3HG1 VAL A 85) 2.36163302 +1 -9.17416882 +1 -6.87688571 +1 H(ATOM 1303 1HG2 VAL A 85) 1.17720200 +1 -5.83824144 +1 -8.27534109 +1 H(ATOM 1304 2HG2 VAL A 85) 2.28419829 +1 -7.18085363 +1 -8.53318102 +1 H(ATOM 1305 3HG2 VAL A 85) 0.59928280 +1 -7.33594177 +1 -9.01868204 +1 N(ATOM 1306 N PHE A 86) -1.58600000 +0 -8.76800000 +0 -4.98600000 +0 C(ATOM 1307 CA PHE A 86) -2.00600000 +0 -9.23800000 +0 -3.68700000 +0 C(ATOM 1308 C PHE A 86) -1.44300000 +0 -10.61300000 +0 -3.46000000 +0 O(ATOM 1309 O PHE A 86) -1.25200000 +0 -11.35300000 +0 -4.42300000 +0 C(ATOM 1310 CB PHE A 86) -3.54100000 +0 -9.34100000 +0 -3.67700000 +0 C(ATOM 1311 CG PHE A 86) -4.25100000 +0 -8.02400000 +0 -3.79300000 +0 C(ATOM 1312 CD1 PHE A 86) -4.56600000 +0 -7.53900000 +0 -4.95100000 +0 C(ATOM 1313 CD2 PHE A 86) -4.65100000 +0 -7.33200000 +0 -2.66700000 +0 C(ATOM 1314 CE1 PHE A 86) -5.26300000 +0 -6.31100000 +0 -5.11100000 +0 C(ATOM 1315 CE2 PHE A 86) -5.38600000 +0 -6.08000000 +0 -2.76600000 +0 C(ATOM 1316 CZ PHE A 86) -5.67300000 +0 -5.58000000 +0 -4.03200000 +0 H(ATOM 1317 H PHE A 86) -1.75388832 +1 -9.43431200 +1 -5.76085913 +1 H(ATOM 1318 HA PHE A 86) -1.67948773 +1 -8.50802855 +1 -2.87773652 +1 H(ATOM 1319 1HB PHE A 86) -3.85813365 +1 -9.85494115 +1 -2.73916477 +1 H(ATOM 1320 2HB PHE A 86) -3.86872479 +1 -10.01831493 +1 -4.49929287 +1 H(ATOM 1321 HD1 PHE A 86) -4.27108792 +1 -8.04047833 +1 -5.89020199 +1 H(ATOM 1322 HD2 PHE A 86) -4.40984780 +1 -7.69264789 +1 -1.66919457 +1 H(ATOM 1323 HE1 PHE A 86) -5.45508641 +1 -5.96704118 +1 -6.12676464 +1 H(ATOM 1324 HE2 PHE A 86) -5.68849734 +1 -5.57490109 +1 -1.85673021 +1 H(ATOM 1325 HZ PHE A 86) -6.20417154 +1 -4.63473866 +1 -4.14618927 +1 N(ATOM 1326 N CYS A 87) -1.23800000 +0 -10.99500000 +0 -2.20700000 +0 C(ATOM 1327 CA CYS A 87) -0.93800000 +0 -12.36900000 +0 -1.85200000 +0 C(ATOM 1328 C CYS A 87) -1.98100000 +0 -12.89400000 +0 -0.88500000 +0 O(ATOM 1329 O CYS A 87) -2.64600000 +0 -12.14800000 +0 -0.15000000 +0 C(ATOM 1330 CB CYS A 87) 0.42700000 +0 -12.52500000 +0 -1.18100000 +0 S(ATOM 1331 SG CYS A 87) 1.77800000 +0 -12.72000000 +0 -2.33600000 +0 H(ATOM 1332 H CYS A 87) -1.42668746 +1 -10.35832663 +1 -1.41368571 +1 H(ATOM 1333 HA CYS A 87) -0.96033443 +1 -12.99646247 +1 -2.81306969 +1 H(ATOM 1334 1HB CYS A 87) 0.60940085 +1 -11.65940847 +1 -0.49824360 +1 H(ATOM 1335 2HB CYS A 87) 0.42457409 +1 -13.40489852 +1 -0.49736414 +1 H(ATOM 1336 HG CYS A 87) 2.80563285 +1 -12.26716849 +1 -1.58186904 +1 N(ATOM 1337 N THR A 88) -2.09800000 +0 -14.18800000 +0 -0.86500000 +0 C(ATOM 1338 CA THR A 88) -2.79100000 +0 -14.83900000 +0 0.23500000 +0 C(ATOM 1339 C THR A 88) -2.15100000 +0 -16.18500000 +0 0.45800000 +0 O(ATOM 1340 O THR A 88) -1.49400000 +0 -16.68600000 +0 -0.44000000 +0 C(ATOM 1341 CB THR A 88) -4.30300000 +0 -15.05400000 +0 -0.03500000 +0 O(ATOM 1342 OG1 THR A 88) -4.89400000 +0 -15.58200000 +0 1.15600000 +0 C(ATOM 1343 CG2 THR A 88) -4.53700000 +0 -15.97000000 +0 -1.23500000 +0 H(ATOM 1344 H THR A 88) -1.63820771 +1 -14.81800162 +1 -1.54936724 +1 H(ATOM 1345 HA THR A 88) -2.69718963 +1 -14.18678389 +1 1.16277292 +1 H(ATOM 1346 HB THR A 88) -4.78331908 +1 -14.05435896 +1 -0.21089504 +1 H(ATOM 1347 HG1 THR A 88) -5.05362314 +1 -14.85365234 +1 1.82077267 +1 H(ATOM 1348 1HG2 THR A 88) -5.61092967 +1 -16.16458074 +1 -1.36705124 +1 H(ATOM 1349 2HG2 THR A 88) -4.15071043 +1 -15.50785042 +1 -2.15160998 +1 H(ATOM 1350 3HG2 THR A 88) -4.05243197 +1 -16.94586255 +1 -1.11214361 +1 N(ATOM 1351 N ASP A 89) -2.35300000 +0 -16.73200000 +0 1.64700000 +0 C(ATOM 1352 CA ASP A 89) -2.02200000 +0 -18.13700000 +0 1.97200000 +0 C(ATOM 1353 C ASP A 89) -3.33800000 +0 -18.77800000 +0 2.52900000 +0 O(ATOM 1354 O ASP A 89) -3.31200000 +0 -19.78000000 +0 3.15900000 +0 C(ATOM 1355 CB ASP A 89) -0.82700000 +0 -18.15700000 +0 2.98000000 +0 C(ATOM 1356 CG ASP A 89) -0.41800000 +0 -19.56100000 +0 3.42000000 +0 O(ATOM 1357 OD1 ASP A 89) -0.81000000 +0 -20.56600000 +0 2.80200000 +0 O(ATOM 1358 OD2 ASP A 89) 0.25900000 +0 -19.68000000 +0 4.45300000 +0 H(ATOM 1359 H ASP A 89) -2.84994425 +1 -16.21270657 +1 2.38034953 +1 H(ATOM 1360 HA ASP A 89) -1.71342249 +1 -18.68652666 +1 1.04137326 +1 H(ATOM 1361 1HB ASP A 89) -1.06394862 +1 -17.56570536 +1 3.89444997 +1 H(ATOM 1362 2HB ASP A 89) 0.04844764 +1 -17.65291486 +1 2.50334960 +1 H(ATOM 1363 HD1 ASP A 89) -0.70546762 +1 -21.47198170 +1 3.25362490 +1 N(ATOM 1364 N SER A 90) -4.49600000 +0 -18.17900000 +0 2.30800000 +0 C(ATOM 1365 CA SER A 90) -5.71500000 +0 -18.56400000 +0 3.04500000 +0 C(ATOM 1366 C SER A 90) -6.79700000 +0 -19.00500000 +0 2.11100000 +0 O(ATOM 1367 O SER A 90) -7.96100000 +0 -18.52500000 +0 2.23100000 +0 C(ATOM 1368 CB SER A 90) -6.24600000 +0 -17.40300000 +0 3.97200000 +0 O(ATOM 1369 OG SER A 90) -6.59500000 +0 -16.14300000 +0 3.31000000 +0 H(ATOM 1370 H SER A 90) -4.60608038 +1 -17.27283893 +1 1.83006293 +1 H(ATOM 1371 HA SER A 90) -5.48064321 +1 -19.42229885 +1 3.75572702 +1 H(ATOM 1372 1HB SER A 90) -7.21125344 +1 -17.71130935 +1 4.41058418 +1 H(ATOM 1373 2HB SER A 90) -5.50841021 +1 -17.18799485 +1 4.76184988 +1 H(ATOM 1374 HG SER A 90) -5.79408926 +1 -15.56359901 +1 3.29477769 +1 N(ATOM 1375 N ILE A 91) -6.51600000 +0 -19.99600000 +0 1.27100000 +0 C(ATOM 1376 CA ILE A 91) -7.53300000 +0 -20.27800000 +0 0.26000000 +0 C(ATOM 1377 C ILE A 91) -8.64200000 +0 -21.25500000 +0 0.69600000 +0 O(ATOM 1378 O ILE A 91) -8.45100000 +0 -22.14000000 +0 1.55500000 +0 C(ATOM 1379 CB ILE A 91) -7.00900000 +0 -20.71300000 +0 -1.14900000 +0 C(ATOM 1380 CG1 ILE A 91) -6.12500000 +0 -21.94200000 +0 -1.05900000 +0 C(ATOM 1381 CG2 ILE A 91) -6.42400000 +0 -19.50500000 +0 -1.96500000 +0 C(ATOM 1382 CD1 ILE A 91) -6.06000000 +0 -22.71300000 +0 -2.39100000 +0 H(ATOM 1383 H ILE A 91) -5.62444671 +1 -20.46545284 +1 1.22315198 +1 H(ATOM 1384 HA ILE A 91) -8.07147600 +1 -19.27891230 +1 0.07488381 +1 H(ATOM 1385 HB ILE A 91) -7.92675064 +1 -21.01697538 +1 -1.73445843 +1 H(ATOM 1386 1HG1 ILE A 91) -5.10091306 +1 -21.66353074 +1 -0.74691532 +1 H(ATOM 1387 2HG1 ILE A 91) -6.50511298 +1 -22.62530808 +1 -0.26732011 +1 H(ATOM 1388 1HG2 ILE A 91) -7.20621739 +1 -18.76648013 +1 -2.16210580 +1 H(ATOM 1389 2HG2 ILE A 91) -5.62050272 +1 -19.01143679 +1 -1.41371425 +1 H(ATOM 1390 3HG2 ILE A 91) -6.02327986 +1 -19.85390197 +1 -2.92018387 +1 H(ATOM 1391 1HD1 ILE A 91) -5.36604468 +1 -23.55861539 +1 -2.31708885 +1 H(ATOM 1392 2HD1 ILE A 91) -7.04719264 +1 -23.11367023 +1 -2.66317166 +1 H(ATOM 1393 3HD1 ILE A 91) -5.72419698 +1 -22.07348678 +1 -3.21250337 +1 N(ATOM 1394 N GLN A 92) -9.77400000 +0 -21.10200000 +0 0.01000000 +0 C(ATOM 1395 CA GLN A 92) -10.98300000 +0 -21.88400000 +0 0.30400000 +0 C(ATOM 1396 C GLN A 92) -11.35000000 +0 -22.53800000 +0 -1.03100000 +0 O(ATOM 1397 O GLN A 92) -11.52500000 +0 -21.85600000 +0 -2.02500000 +0 C(ATOM 1398 CB GLN A 92) -12.06800000 +0 -20.98700000 +0 0.79500000 +0 C(ATOM 1399 CG GLN A 92) -11.73300000 +0 -20.29200000 +0 2.19100000 +0 C(ATOM 1400 CD GLN A 92) -12.52400000 +0 -18.97300000 +0 2.36000000 +0 O(ATOM 1401 OE1 GLN A 92) -13.14700000 +0 -18.50500000 +0 1.40000000 +0 N(ATOM 1402 NE2 GLN A 92) -12.50700000 +0 -18.39000000 +0 3.55700000 +0 H(ATOM 1403 H GLN A 92) -9.93761681 +1 -20.36951392 +1 -0.70067319 +1 H(ATOM 1404 HA GLN A 92) -10.73988335 +1 -22.66281512 +1 1.09116311 +1 H(ATOM 1405 1HB GLN A 92) -12.25913813 +1 -20.17491095 +1 0.05278046 +1 H(ATOM 1406 2HB GLN A 92) -13.02627635 +1 -21.53142948 +1 0.90991245 +1 H(ATOM 1407 1HG GLN A 92) -10.65245874 +1 -20.06490068 +1 2.23824861 +1 H(ATOM 1408 2HG GLN A 92) -11.95463425 +1 -20.99069725 +1 3.01488860 +1 H(ATOM 1409 1HE2 GLN A 92) -11.98722610 +1 -18.78437743 +1 4.33309309 +1 H(ATOM 1410 2HE2 GLN A 92) -13.02447093 +1 -17.54505007 +1 3.75101356 +1 N(ATOM 1411 N GLY A 93) -11.34800000 +0 -23.86700000 +0 -1.02300000 +0 C(ATOM 1412 CA GLY A 93) -11.57700000 +0 -24.64700000 +0 -2.20300000 +0 C(ATOM 1413 C GLY A 93) -10.28500000 +0 -25.24300000 +0 -2.78400000 +0 O(ATOM 1414 O GLY A 93) -9.16500000 +0 -25.04500000 +0 -2.28700000 +0 H(ATOM 1415 H GLY A 93) -11.14381414 +1 -24.40113109 +1 -0.17117658 +1 H(ATOM 1416 1HA GLY A 93) -12.08017429 +1 -24.02417517 +1 -2.99909249 +1 H(ATOM 1417 2HA GLY A 93) -12.29211986 +1 -25.48447183 +1 -1.96708800 +1 N(ATOM 1418 N THR A 94) -10.51100000 +0 -25.96900000 +0 -3.86000000 +0 C(ATOM 1419 CA THR A 94) -9.48200000 +0 -26.59100000 +0 -4.66700000 +0 C(ATOM 1420 C THR A 94) -9.57000000 +0 -25.88400000 +0 -6.04100000 +0 O(ATOM 1421 O THR A 94) -10.63400000 +0 -25.79100000 +0 -6.60800000 +0 C(ATOM 1422 CB THR A 94) -9.78700000 +0 -28.12700000 +0 -4.78400000 +0 O(ATOM 1423 OG1 THR A 94) -9.68700000 +0 -28.72900000 +0 -3.48800000 +0 C(ATOM 1424 CG2 THR A 94) -8.83400000 +0 -28.86500000 +0 -5.69600000 +0 H(ATOM 1425 H THR A 94) -11.48446159 +1 -26.09516408 +1 -4.23319835 +1 H(ATOM 1426 HA THR A 94) -8.47151435 +1 -26.47227330 +1 -4.18818541 +1 H(ATOM 1427 HB THR A 94) -10.84887871 +1 -28.26518769 +1 -5.11313982 +1 H(ATOM 1428 HG1 THR A 94) -10.18637836 +1 -28.19563347 +1 -2.83192760 +1 H(ATOM 1429 1HG2 THR A 94) -9.10058189 +1 -29.93024050 +1 -5.76545897 +1 H(ATOM 1430 2HG2 THR A 94) -8.85074795 +1 -28.45637416 +1 -6.71750243 +1 H(ATOM 1431 3HG2 THR A 94) -7.79713731 +1 -28.82799244 +1 -5.33225335 +1 N(ATOM 1432 N PRO A 95) -8.45200000 +0 -25.44400000 +0 -6.59900000 +0 C(ATOM 1433 CA PRO A 95) -8.48800000 +0 -24.68800000 +0 -7.86900000 +0 C(ATOM 1434 C PRO A 95) -8.89600000 +0 -25.56800000 +0 -9.02200000 +0 O(ATOM 1435 O PRO A 95) -8.56200000 +0 -26.74000000 +0 -9.07100000 +0 C(ATOM 1436 CB PRO A 95) -7.07400000 +0 -24.13500000 +0 -8.01500000 +0 C(ATOM 1437 CG PRO A 95) -6.22000000 +0 -24.95500000 +0 -7.12700000 +0 C(ATOM 1438 CD PRO A 95) -7.07600000 +0 -25.68200000 +0 -6.12500000 +0 H(ATOM 1439 HA PRO A 95) -9.23429366 +1 -23.84243491 +1 -7.73894698 +1 H(ATOM 1440 1HB PRO A 95) -7.05931656 +1 -23.05833206 +1 -7.72939514 +1 H(ATOM 1441 2HB PRO A 95) -6.73387417 +1 -24.14612533 +1 -9.07071419 +1 H(ATOM 1442 1HG PRO A 95) -5.61943062 +1 -25.68984360 +1 -7.71542542 +1 H(ATOM 1443 2HG PRO A 95) -5.44762670 +1 -24.33595674 +1 -6.61532278 +1 H(ATOM 1444 1HD PRO A 95) -6.86219060 +1 -26.77666405 +1 -6.09281151 +1 H(ATOM 1445 2HD PRO A 95) -6.95123908 +1 -25.29082120 +1 -5.08676585 +1 N(ATOM 1446 N VAL A 96) -9.72400000 +0 -25.03200000 +0 -9.88000000 +0 C(ATOM 1447 CA VAL A 96) -10.21300000 +0 -25.73400000 +0 -11.02700000 +0 C(ATOM 1448 C VAL A 96) -9.95700000 +0 -24.89200000 +0 -12.27900000 +0 O(ATOM 1449 O VAL A 96) -9.86300000 +0 -23.65600000 +0 -12.21900000 +0 C(ATOM 1450 CB VAL A 96) -11.74500000 +0 -26.09100000 +0 -10.87200000 +0 C(ATOM 1451 CG1 VAL A 96) -11.97700000 +0 -26.98100000 +0 -9.60400000 +0 C(ATOM 1452 CG2 VAL A 96) -12.57500000 +0 -24.87100000 +0 -10.79300000 +0 H(ATOM 1453 H VAL A 96) -10.04788612 +1 -24.04887526 +1 -9.81761392 +1 H(ATOM 1454 HA VAL A 96) -9.66714948 +1 -26.72645666 +1 -11.12714802 +1 H(ATOM 1455 HB VAL A 96) -12.02085648 +1 -26.70207749 +1 -11.76850034 +1 H(ATOM 1456 1HG1 VAL A 96) -11.33945548 +1 -27.86782981 +1 -9.62089936 +1 H(ATOM 1457 2HG1 VAL A 96) -11.73448093 +1 -26.42667866 +1 -8.68762757 +1 H(ATOM 1458 3HG1 VAL A 96) -13.02009280 +1 -27.29664428 +1 -9.54550064 +1 H(ATOM 1459 1HG2 VAL A 96) -12.46465128 +1 -24.21414312 +1 -11.67216236 +1 H(ATOM 1460 2HG2 VAL A 96) -13.64886284 +1 -25.09942989 +1 -10.71903550 +1 H(ATOM 1461 3HG2 VAL A 96) -12.33601871 +1 -24.24340375 +1 -9.91787643 +1 N(ATOM 1462 N GLU A 97) -9.88300000 +0 -25.55700000 +0 -13.40800000 +0 C(ATOM 1463 CA GLU A 97) -9.59000000 +0 -24.88300000 +0 -14.65600000 +0 C(ATOM 1464 C GLU A 97) -10.85300000 +0 -24.06400000 +0 -15.04900000 +0 O(ATOM 1465 O GLU A 97) -11.99900000 +0 -24.52800000 +0 -14.85200000 +0 C(ATOM 1466 CB GLU A 97) -9.30000000 +0 -25.97400000 +0 -15.70700000 +0 C(ATOM 1467 CG GLU A 97) -9.00700000 +0 -25.44000000 +0 -17.07900000 +0 C(ATOM 1468 CD GLU A 97) -8.43000000 +0 -26.51200000 +0 -17.99200000 +0 O(ATOM 1469 OE1 GLU A 97) -8.35800000 +0 -27.68500000 +0 -17.57500000 +0 O(ATOM 1470 OE2 GLU A 97) -8.00800000 +0 -26.12600000 +0 -19.09100000 +0 H(ATOM 1471 H GLU A 97) -10.09253122 +1 -26.56468713 +1 -13.47158955 +1 H(ATOM 1472 HA GLU A 97) -8.71344861 +1 -24.18691960 +1 -14.54033521 +1 H(ATOM 1473 1HB GLU A 97) -10.16060724 +1 -26.68261327 +1 -15.75975927 +1 H(ATOM 1474 2HB GLU A 97) -8.44444851 +1 -26.59743170 +1 -15.35082863 +1 H(ATOM 1475 1HG GLU A 97) -9.92037270 +1 -25.01616811 +1 -17.54987832 +1 H(ATOM 1476 2HG GLU A 97) -8.29991405 +1 -24.58039144 +1 -17.04297261 +1 N(ATOM 1477 N SER A 98) -10.61800000 +0 -22.89100000 +0 -15.61900000 +0 C(ATOM 1478 CA SER A 98) -11.62600000 +0 -22.01900000 +0 -16.16200000 +0 C(ATOM 1479 C SER A 98) -11.38300000 +0 -21.87000000 +0 -17.68100000 +0 O(ATOM 1480 O SER A 98) -10.37700000 +0 -22.34900000 +0 -18.22900000 +0 C(ATOM 1481 CB SER A 98) -11.50000000 +0 -20.63500000 +0 -15.58700000 +0 O(ATOM 1482 OG SER A 98) -10.20000000 +0 -20.04600000 +0 -15.68300000 +0 H(ATOM 1483 H SER A 98) -9.65231805 +1 -22.55532360 +1 -15.79387318 +1 H(ATOM 1484 HA SER A 98) -12.66444562 +1 -22.43290696 +1 -15.97886531 +1 H(ATOM 1485 1HB SER A 98) -12.15101937 +1 -19.89419000 +1 -16.10410310 +1 H(ATOM 1486 2HB SER A 98) -11.80006834 +1 -20.62258767 +1 -14.51202428 +1 H(ATOM 1487 HG SER A 98) -9.73170435 +1 -20.16716095 +1 -14.81636997 +1 N(ATOM 1488 N ASP A 99) -12.24300000 +0 -21.10700000 +0 -18.34300000 +0 C(ATOM 1489 CA ASP A 99) -11.94800000 +0 -20.72900000 +0 -19.74600000 +0 C(ATOM 1490 C ASP A 99) -10.63000000 +0 -19.97200000 +0 -19.89800000 +0 O(ATOM 1491 O ASP A 99) -9.94100000 +0 -20.12200000 +0 -20.92700000 +0 C(ATOM 1492 CB ASP A 99) -13.10100000 +0 -19.94700000 +0 -20.38100000 +0 C(ATOM 1493 CG ASP A 99) -14.35100000 +0 -20.80000000 +0 -20.57800000 +0 O(ATOM 1494 OD1 ASP A 99) -14.27100000 +0 -22.06700000 +0 -20.60600000 +0 O(ATOM 1495 OD2 ASP A 99) -15.45700000 +0 -20.18900000 +0 -20.78300000 +0 H(ATOM 1496 H ASP A 99) -13.15657693 +1 -20.81507361 +1 -17.96805399 +1 H(ATOM 1497 HA ASP A 99) -11.81963911 +1 -21.70311553 +1 -20.33152974 +1 H(ATOM 1498 1HB ASP A 99) -12.79097019 +1 -19.55851317 +1 -21.38412609 +1 H(ATOM 1499 2HB ASP A 99) -13.34039868 +1 -19.03876903 +1 -19.77899833 +1 H(ATOM 1500 HD2 ASP A 99) -16.27292112 +1 -20.77489274 +1 -20.98590042 +1 N(ATOM 1501 N GLU A 100) -10.27700000 +0 -19.15700000 +0 -18.90500000 +0 C(ATOM 1502 CA GLU A 100) -9.06100000 +0 -18.31700000 +0 -18.96000000 +0 C(ATOM 1503 C GLU A 100) -7.81000000 +0 -18.98500000 +0 -18.44000000 +0 O(ATOM 1504 O GLU A 100) -6.71400000 +0 -18.66200000 +0 -18.92200000 +0 C(ATOM 1505 CB GLU A 100) -9.21500000 +0 -17.03200000 +0 -18.14200000 +0 C(ATOM 1506 CG GLU A 100) -10.03400000 +0 -16.02600000 +0 -18.90900000 +0 C(ATOM 1507 CD GLU A 100) -10.20500000 +0 -14.75500000 +0 -18.10900000 +0 O(ATOM 1508 OE1 GLU A 100) -10.98000000 +0 -14.80500000 +0 -17.16500000 +0 O(ATOM 1509 OE2 GLU A 100) -9.54600000 +0 -13.75100000 +0 -18.41100000 +0 H(ATOM 1510 H GLU A 100) -10.90056275 +1 -18.95743921 +1 -18.10774926 +1 H(ATOM 1511 HA GLU A 100) -8.87117306 +1 -18.06241281 +1 -20.05140010 +1 H(ATOM 1512 1HB GLU A 100) -8.21017949 +1 -16.60802467 +1 -17.90254684 +1 H(ATOM 1513 2HB GLU A 100) -9.68355170 +1 -17.24979666 +1 -17.15297740 +1 H(ATOM 1514 1HG GLU A 100) -9.57495146 +1 -15.79392976 +1 -19.89920630 +1 H(ATOM 1515 2HG GLU A 100) -11.05125514 +1 -16.42021517 +1 -19.15635257 +1 H(ATOM 1516 HE2 GLU A 100) -9.44578554 +1 -12.96687217 +1 -17.70468653 +1 N(ATOM 1517 N MET A 101) -7.95300000 +0 -19.88500000 +0 -17.44600000 +0 C(ATOM 1518 CA MET A 101) -6.76700000 +0 -20.33900000 +0 -16.75200000 +0 C(ATOM 1519 C MET A 101) -6.76000000 +0 -21.81800000 +0 -16.43900000 +0 O(ATOM 1520 O MET A 101) -7.76300000 +0 -22.35600000 +0 -15.98300000 +0 C(ATOM 1521 CB MET A 101) -6.62300000 +0 -19.61400000 +0 -15.40900000 +0 C(ATOM 1522 CG MET A 101) -6.10800000 +0 -18.16100000 +0 -15.38600000 +0 S(ATOM 1523 SD MET A 101) -4.43900000 +0 -18.04300000 +0 -16.02600000 +0 C(ATOM 1524 CE MET A 101) -3.81400000 +0 -16.66900000 +0 -15.02800000 +0 H(ATOM 1525 H MET A 101) -8.86198268 +1 -20.14789543 +1 -17.05186826 +1 H(ATOM 1526 HA MET A 101) -5.85968357 +1 -20.09054833 +1 -17.41302042 +1 H(ATOM 1527 1HB MET A 101) -7.61805194 +1 -19.62543282 +1 -14.89859225 +1 H(ATOM 1528 2HB MET A 101) -5.97311270 +1 -20.22398044 +1 -14.73699692 +1 H(ATOM 1529 1HG MET A 101) -6.78014801 +1 -17.51368307 +1 -15.98328180 +1 H(ATOM 1530 2HG MET A 101) -6.16172726 +1 -17.77021883 +1 -14.35010334 +1 H(ATOM 1531 1HE MET A 101) -2.79408492 +1 -16.43182245 +1 -15.36929422 +1 H(ATOM 1532 2HE MET A 101) -4.41760384 +1 -15.75926791 +1 -15.13017027 +1 H(ATOM 1533 3HE MET A 101) -3.73616042 +1 -16.90947339 +1 -13.95999489 +1 N(ATOM 1534 N ARG A 102) -5.56500000 +0 -22.42700000 +0 -16.53400000 +0 C(ATOM 1535 CA ARG A 102) -5.33000000 +0 -23.79200000 +0 -16.10400000 +0 C(ATOM 1536 C ARG A 102) -4.37000000 +0 -23.79400000 +0 -14.91400000 +0 O(ATOM 1537 O ARG A 102) -3.18100000 +0 -23.47300000 +0 -15.10800000 +0 C(ATOM 1538 CB ARG A 102) -4.78100000 +0 -24.61200000 +0 -17.26400000 +0 C(ATOM 1539 CG ARG A 102) -4.23400000 +0 -25.99400000 +0 -16.89300000 +0 C(ATOM 1540 CD ARG A 102) -4.01800000 +0 -26.83300000 +0 -18.15400000 +0 N(ATOM 1541 NE ARG A 102) -2.90100000 +0 -26.32800000 +0 -18.92300000 +0 C(ATOM 1542 CZ ARG A 102) -1.62500000 +0 -26.56700000 +0 -18.68000000 +0 N(ATOM 1543 NH1 ARG A 102) -1.26100000 +0 -27.35400000 +0 -17.73800000 +0 N(ATOM 1544 NH2 ARG A 102) -0.72000000 +0 -26.05900000 +0 -19.48100000 +0 H(ATOM 1545 H ARG A 102) -4.77962696 +1 -21.95954776 +1 -17.01881561 +1 H(ATOM 1546 HA ARG A 102) -6.32340089 +1 -24.24762693 +1 -15.79796774 +1 H(ATOM 1547 1HB ARG A 102) -5.58406901 +1 -24.72249223 +1 -18.02705029 +1 H(ATOM 1548 2HB ARG A 102) -3.96766840 +1 -24.04590594 +1 -17.77338522 +1 H(ATOM 1549 1HG ARG A 102) -4.92793362 +1 -26.51902063 +1 -16.21010740 +1 H(ATOM 1550 2HG ARG A 102) -3.27478685 +1 -25.88649477 +1 -16.33755499 +1 H(ATOM 1551 1HD ARG A 102) -3.84765309 +1 -27.90229551 +1 -17.86434256 +1 H(ATOM 1552 2HD ARG A 102) -4.93171122 +1 -26.82975303 +1 -18.79545195 +1 H(ATOM 1553 HE ARG A 102) -3.16996087 +1 -25.81934206 +1 -19.77607158 +1 H(ATOM 1554 HH1 ARG A 102) -0.28620660 +1 -27.45549350 +1 -17.49607592 +1 H(ATOM 1555 1HH2 ARG A 102) 0.26458597 +1 -26.04061450 +1 -19.23619252 +1 H(ATOM 1556 2HH2 ARG A 102) -0.93916714 +1 -25.44267776 +1 -20.25321038 +1 N(ATOM 1557 N PRO A 103) -4.87100000 +0 -24.14300000 +0 -13.70200000 +0 C(ATOM 1558 CA PRO A 103) -4.04600000 +0 -23.91300000 +0 -12.49600000 +0 C(ATOM 1559 C PRO A 103) -3.17800000 +0 -25.10200000 +0 -12.14200000 +0 O(ATOM 1560 O PRO A 103) -3.60800000 +0 -26.26300000 +0 -12.32000000 +0 C(ATOM 1561 CB PRO A 103) -5.08300000 +0 -23.68800000 +0 -11.39500000 +0 C(ATOM 1562 CG PRO A 103) -6.21100000 +0 -24.58800000 +0 -11.78500000 +0 C(ATOM 1563 CD PRO A 103) -6.26000000 +0 -24.53200000 +0 -13.32900000 +0 H(ATOM 1564 HA PRO A 103) -3.40422733 +1 -22.99522110 +1 -12.65983513 +1 H(ATOM 1565 1HB PRO A 103) -5.40847834 +1 -22.62038047 +1 -11.38420516 +1 H(ATOM 1566 2HB PRO A 103) -4.68317043 +1 -23.88282850 +1 -10.38521924 +1 H(ATOM 1567 1HG PRO A 103) -6.04338155 +1 -25.63112761 +1 -11.44819488 +1 H(ATOM 1568 2HG PRO A 103) -7.17918860 +1 -24.27522451 +1 -11.34736158 +1 H(ATOM 1569 1HD PRO A 103) -6.50921223 +1 -25.51703582 +1 -13.77333103 +1 H(ATOM 1570 2HD PRO A 103) -6.97203563 +1 -23.76127358 +1 -13.70087184 +1 N(ATOM 1571 N CYS A 104) -1.95900000 +0 -24.80800000 +0 -11.66900000 +0 C(ATOM 1572 CA CYS A 104) -1.01500000 +0 -25.76800000 +0 -11.13700000 +0 C(ATOM 1573 C CYS A 104) -0.22600000 +0 -25.13600000 +0 -9.98500000 +0 O(ATOM 1574 O CYS A 104) 0.06300000 +0 -23.91100000 +0 -10.02800000 +0 C(ATOM 1575 CB CYS A 104) 0.00300000 +0 -26.16600000 +0 -12.18100000 +0 S(ATOM 1576 SG CYS A 104) -0.64900000 +0 -27.37200000 +0 -13.30300000 +0 H(ATOM 1577 H CYS A 104) -1.63313179 +1 -23.82243048 +1 -11.59237616 +1 H(ATOM 1578 HA CYS A 104) -1.59027549 +1 -26.67168184 +1 -10.75901601 +1 H(ATOM 1579 1HB CYS A 104) 0.35138496 +1 -25.25760835 +1 -12.73762194 +1 H(ATOM 1580 2HB CYS A 104) 0.93663718 +1 -26.55096190 +1 -11.70280025 +1 H(ATOM 1581 HG CYS A 104) 0.42470950 +1 -27.52725833 +1 -14.09980651 +1 N(ATOM 1582 N TRP A 105) 0.07100000 +0 -25.95600000 +0 -8.99600000 +0 C(ATOM 1583 CA TRP A 105) 0.97600000 +0 -25.57900000 +0 -7.94200000 +0 C(ATOM 1584 C TRP A 105) 2.45300000 +0 -25.77200000 +0 -8.40300000 +0 O(ATOM 1585 O TRP A 105) 2.78900000 +0 -26.78500000 +0 -9.01000000 +0 C(ATOM 1586 CB TRP A 105) 0.73000000 +0 -26.41400000 +0 -6.70200000 +0 C(ATOM 1587 CG TRP A 105) -0.55700000 +0 -26.16600000 +0 -6.04300000 +0 C(ATOM 1588 CD1 TRP A 105) -1.69500000 +0 -26.91200000 +0 -6.13500000 +0 N(ATOM 1589 NE1 TRP A 105) -2.67500000 +0 -26.37300000 +0 -5.36000000 +0 C(ATOM 1590 CD2 TRP A 105) -0.86600000 +0 -25.08100000 +0 -5.15600000 +0 C(ATOM 1591 CE2 TRP A 105) -2.21500000 +0 -25.25500000 +0 -4.74400000 +0 C(ATOM 1592 CE3 TRP A 105) -0.14600000 +0 -23.98100000 +0 -4.68800000 +0 C(ATOM 1593 CZ2 TRP A 105) -2.85000000 +0 -24.37400000 +0 -3.85800000 +0 C(ATOM 1594 CZ3 TRP A 105) -0.75600000 +0 -23.09600000 +0 -3.79800000 +0 C(ATOM 1595 CH2 TRP A 105) -2.10400000 +0 -23.27000000 +0 -3.41500000 +0 H(ATOM 1596 H TRP A 105) -0.19550017 +1 -26.94698712 +1 -9.00268132 +1 H(ATOM 1597 HA TRP A 105) 0.81723834 +1 -24.47870123 +1 -7.69639599 +1 H(ATOM 1598 1HB TRP A 105) 1.55876544 +1 -26.22996828 +1 -5.97188011 +1 H(ATOM 1599 2HB TRP A 105) 0.83780501 +1 -27.50400713 +1 -6.94561495 +1 H(ATOM 1600 HD1 TRP A 105) -1.87328130 +1 -27.81368577 +1 -6.71171662 +1 H(ATOM 1601 HE1 TRP A 105) -3.57925624 +1 -26.78602362 +1 -5.19948327 +1 H(ATOM 1602 HE3 TRP A 105) 0.88414156 +1 -23.82503381 +1 -5.00297947 +1 H(ATOM 1603 HZ2 TRP A 105) -3.86307776 +1 -24.54478121 +1 -3.51771928 +1 H(ATOM 1604 HZ3 TRP A 105) -0.19888198 +1 -22.24569990 +1 -3.41231533 +1 H(ATOM 1605 HH2 TRP A 105) -2.56028639 +1 -22.56496430 +1 -2.72801809 +1 N(ATOM 1606 N PHE A 106) 3.32500000 +0 -24.83700000 +0 -8.00600000 +0 C(ATOM 1607 CA PHE A 106) 4.73300000 +0 -24.89300000 +0 -8.27900000 +0 C(ATOM 1608 C PHE A 106) 5.53500000 +0 -24.80800000 +0 -6.98600000 +0 O(ATOM 1609 O PHE A 106) 5.24800000 +0 -23.98300000 +0 -6.12200000 +0 C(ATOM 1610 CB PHE A 106) 5.13800000 +0 -23.76000000 +0 -9.22400000 +0 C(ATOM 1611 CG PHE A 106) 4.58900000 +0 -23.90300000 +0 -10.62800000 +0 C(ATOM 1612 CD1 PHE A 106) 3.26800000 +0 -23.52400000 +0 -10.91700000 +0 C(ATOM 1613 CD2 PHE A 106) 5.35100000 +0 -24.50000000 +0 -11.61900000 +0 C(ATOM 1614 CE1 PHE A 106) 2.76100000 +0 -23.71100000 +0 -12.20900000 +0 C(ATOM 1615 CE2 PHE A 106) 4.84500000 +0 -24.68500000 +0 -12.84100000 +0 C(ATOM 1616 CZ PHE A 106) 3.54700000 +0 -24.28100000 +0 -13.12000000 +0 H(ATOM 1617 H PHE A 106) 3.01737517 +1 -23.95102627 +1 -7.57625666 +1 H(ATOM 1618 HA PHE A 106) 4.96341885 +1 -25.87770127 +1 -8.80597355 +1 H(ATOM 1619 1HB PHE A 106) 6.24924291 +1 -23.68304210 +1 -9.25906105 +1 H(ATOM 1620 2HB PHE A 106) 4.80993863 +1 -22.78425355 +1 -8.79498278 +1 H(ATOM 1621 HD1 PHE A 106) 2.63793971 +1 -23.08507876 +1 -10.14392712 +1 H(ATOM 1622 HD2 PHE A 106) 6.38290514 +1 -24.79839962 +1 -11.38741707 +1 H(ATOM 1623 HE1 PHE A 106) 1.73709142 +1 -23.39368926 +1 -12.43048498 +1 H(ATOM 1624 HE2 PHE A 106) 5.43762792 +1 -25.15127018 +1 -13.63721558 +1 H(ATOM 1625 HZ PHE A 106) 3.17013566 +1 -24.44175010 +1 -14.14448615 +1 N(ATOM 1626 N GLN A 107) 6.57500000 +0 -25.62600000 +0 -6.89500000 +0 C(ATOM 1627 CA GLN A 107) 7.53400000 +0 -25.48500000 +0 -5.79400000 +0 C(ATOM 1628 C GLN A 107) 8.24300000 +0 -24.14000000 +0 -5.99100000 +0 O(ATOM 1629 O GLN A 107) 8.45700000 +0 -23.68400000 +0 -7.10700000 +0 C(ATOM 1630 CB GLN A 107) 8.50700000 +0 -26.66700000 +0 -5.73000000 +0 C(ATOM 1631 CG GLN A 107) 7.81800000 +0 -27.98800000 +0 -5.39100000 +0 C(ATOM 1632 CD GLN A 107) 7.27300000 +0 -28.00900000 +0 -3.90900000 +0 O(ATOM 1633 OE1 GLN A 107) 6.03700000 +0 -27.91500000 +0 -3.62300000 +0 N(ATOM 1634 NE2 GLN A 107) 8.20800000 +0 -28.11600000 +0 -2.97500000 +0 H(ATOM 1635 H GLN A 107) 6.87393939 +1 -26.24929856 +1 -7.66058998 +1 H(ATOM 1636 HA GLN A 107) 6.93961119 +1 -25.45320158 +1 -4.82023016 +1 H(ATOM 1637 1HB GLN A 107) 9.30458289 +1 -26.44873510 +1 -4.99031103 +1 H(ATOM 1638 2HB GLN A 107) 9.03672837 +1 -26.78060280 +1 -6.70429953 +1 H(ATOM 1639 1HG GLN A 107) 6.96503252 +1 -28.18544415 +1 -6.07007443 +1 H(ATOM 1640 2HG GLN A 107) 8.51186979 +1 -28.84134697 +1 -5.52930867 +1 H(ATOM 1641 1HE2 GLN A 107) 7.96274511 +1 -28.17467676 +1 -1.99428665 +1 H(ATOM 1642 2HE2 GLN A 107) 9.17308950 +1 -28.34234730 +1 -3.17985881 +1 N(ATOM 1643 N LEU A 108) 8.65400000 +0 -23.53600000 +0 -4.88500000 +0 C(ATOM 1644 CA LEU A 108) 9.25100000 +0 -22.21100000 +0 -4.95000000 +0 C(ATOM 1645 C LEU A 108) 10.59500000 +0 -22.09400000 +0 -5.65600000 +0 O(ATOM 1646 O LEU A 108) 10.97200000 +0 -20.97500000 +0 -6.09000000 +0 C(ATOM 1647 CB LEU A 108) 9.26600000 +0 -21.58200000 +0 -3.57800000 +0 C(ATOM 1648 CG LEU A 108) 7.87200000 +0 -21.54300000 +0 -2.93100000 +0 C(ATOM 1649 CD1 LEU A 108) 7.91900000 +0 -20.81100000 +0 -1.54700000 +0 C(ATOM 1650 CD2 LEU A 108) 6.73700000 +0 -20.91900000 +0 -3.89700000 +0 H(ATOM 1651 H LEU A 108) 8.62445570 +1 -23.98257485 +1 -3.95789924 +1 H(ATOM 1652 HA LEU A 108) 8.56168897 +1 -21.57541219 +1 -5.61976298 +1 H(ATOM 1653 1HB LEU A 108) 9.96665962 +1 -22.11905790 +1 -2.90042059 +1 H(ATOM 1654 2HB LEU A 108) 9.67526096 +1 -20.54952420 +1 -3.65095897 +1 H(ATOM 1655 HG LEU A 108) 7.53796906 +1 -22.58660090 +1 -2.72573005 +1 H(ATOM 1656 1HD1 LEU A 108) 8.63007235 +1 -21.29938168 +1 -0.87535060 +1 H(ATOM 1657 2HD1 LEU A 108) 8.19245892 +1 -19.75760323 +1 -1.65731822 +1 H(ATOM 1658 3HD1 LEU A 108) 6.93506605 +1 -20.84923853 +1 -1.06451809 +1 H(ATOM 1659 1HD2 LEU A 108) 6.53680916 +1 -21.60033347 +1 -4.72260934 +1 H(ATOM 1660 2HD2 LEU A 108) 5.82153321 +1 -20.77864754 +1 -3.31939635 +1 H(ATOM 1661 3HD2 LEU A 108) 7.06453012 +1 -19.95662727 +1 -4.28503522 +1 N(ATOM 1662 N ASP A 109) 11.30300000 +0 -23.20100000 +0 -5.82100000 +0 C(ATOM 1663 CA ASP A 109) 12.50600000 +0 -23.17900000 +0 -6.63300000 +0 C(ATOM 1664 C ASP A 109) 12.25000000 +0 -23.70900000 +0 -8.05500000 +0 O(ATOM 1665 O ASP A 109) 13.21600000 +0 -24.00700000 +0 -8.79700000 +0 C(ATOM 1666 CB ASP A 109) 13.62300000 +0 -23.99400000 +0 -5.98200000 +0 C(ATOM 1667 CG ASP A 109) 13.21900000 +0 -25.40500000 +0 -5.67600000 +0 O(ATOM 1668 OD1 ASP A 109) 12.03300000 +0 -25.78000000 +0 -5.76200000 +0 O(ATOM 1669 OD2 ASP A 109) 14.10400000 +0 -26.15800000 +0 -5.27300000 +0 H(ATOM 1670 H ASP A 109) 11.02135869 +1 -24.09492393 +1 -5.42832217 +1 H(ATOM 1671 HA ASP A 109) 12.86929572 +1 -22.10342347 +1 -6.74893142 +1 H(ATOM 1672 1HB ASP A 109) 13.97043532 +1 -23.50679496 +1 -5.03369412 +1 H(ATOM 1673 2HB ASP A 109) 14.53359111 +1 -24.00292789 +1 -6.63689733 +1 H(ATOM 1674 HD1 ASP A 109) 11.81165598 +1 -26.73815922 +1 -5.51655149 +1 N(ATOM 1675 N GLN A 110) 10.98000000 +0 -23.83300000 +0 -8.43800000 +0 C(ATOM 1676 CA GLN A 110) 10.62400000 +0 -24.34500000 +0 -9.76100000 +0 C(ATOM 1677 C GLN A 110) 9.65300000 +0 -23.40100000 +0 -10.44300000 +0 O(ATOM 1678 O GLN A 110) 8.80800000 +0 -23.76800000 +0 -11.25800000 +0 C(ATOM 1679 CB GLN A 110) 10.12000000 +0 -25.77900000 +0 -9.64600000 +0 C(ATOM 1680 CG GLN A 110) 11.28000000 +0 -26.72000000 +0 -9.26400000 +0 C(ATOM 1681 CD GLN A 110) 10.86300000 +0 -28.17200000 +0 -9.16100000 +0 O(ATOM 1682 OE1 GLN A 110) 9.65400000 +0 -28.50400000 +0 -9.11200000 +0 N(ATOM 1683 NE2 GLN A 110) 11.86100000 +0 -29.05800000 +0 -9.06300000 +0 H(ATOM 1684 H GLN A 110) 10.18525930 +1 -23.66025379 +1 -7.80951187 +1 H(ATOM 1685 HA GLN A 110) 11.56068989 +1 -24.35469939 +1 -10.41914435 +1 H(ATOM 1686 1HB GLN A 110) 9.30026528 +1 -25.85498365 +1 -8.90235542 +1 H(ATOM 1687 2HB GLN A 110) 9.67457326 +1 -26.10229834 +1 -10.61239476 +1 H(ATOM 1688 1HG GLN A 110) 11.72293811 +1 -26.40181411 +1 -8.29586880 +1 H(ATOM 1689 2HG GLN A 110) 12.10658184 +1 -26.60896993 +1 -10.00555991 +1 H(ATOM 1690 1HE2 GLN A 110) 11.68781299 +1 -30.04469920 +1 -8.92415899 +1 H(ATOM 1691 2HE2 GLN A 110) 12.83342014 +1 -28.78758145 +1 -9.02737053 +1 N(ATOM 1692 N ILE A 111) 9.83900000 +0 -22.13100000 +0 -10.17200000 +0 C(ATOM 1693 CA ILE A 111) 8.94500000 +0 -21.14300000 +0 -10.74400000 +0 C(ATOM 1694 C ILE A 111) 9.30100000 +0 -21.03300000 +0 -12.27100000 +0 O(ATOM 1695 O ILE A 111) 10.50500000 +0 -20.94800000 +0 -12.66300000 +0 C(ATOM 1696 CB ILE A 111) 9.02200000 +0 -19.82500000 +0 -10.01400000 +0 C(ATOM 1697 CG1 ILE A 111) 8.39700000 +0 -19.99900000 +0 -8.59300000 +0 C(ATOM 1698 CG2 ILE A 111) 8.21500000 +0 -18.78500000 +0 -10.81000000 +0 C(ATOM 1699 CD1 ILE A 111) 8.84100000 +0 -18.94700000 +0 -7.66200000 +0 H(ATOM 1700 H ILE A 111) 10.64288480 +1 -21.76189304 +1 -9.64267034 +1 H(ATOM 1701 HA ILE A 111) 7.88702803 +1 -21.54739073 +1 -10.66429065 +1 H(ATOM 1702 HB ILE A 111) 10.08222231 +1 -19.48152529 +1 -9.91722948 +1 H(ATOM 1703 1HG1 ILE A 111) 8.66045199 +1 -21.00368849 +1 -8.19164907 +1 H(ATOM 1704 2HG1 ILE A 111) 7.29075450 +1 -20.01751426 +1 -8.68810506 +1 H(ATOM 1705 1HG2 ILE A 111) 8.67389698 +1 -18.58679407 +1 -11.78689198 +1 H(ATOM 1706 2HG2 ILE A 111) 7.17615504 +1 -19.09075777 +1 -10.95941198 +1 H(ATOM 1707 3HG2 ILE A 111) 8.19864723 +1 -17.82200298 +1 -10.28214700 +1 H(ATOM 1708 1HD1 ILE A 111) 8.29534981 +1 -18.97810899 +1 -6.70707116 +1 H(ATOM 1709 2HD1 ILE A 111) 9.90950460 +1 -19.06088445 +1 -7.39772765 +1 H(ATOM 1710 3HD1 ILE A 111) 8.72164865 +1 -17.93555950 +1 -8.07604786 +1 N(ATOM 1711 N PRO A 112) 8.24800000 +0 -21.09700000 +0 -13.15700000 +0 C(ATOM 1712 CA PRO A 112) 8.54700000 +0 -21.29700000 +0 -14.61400000 +0 C(ATOM 1713 C PRO A 112) 8.77400000 +0 -19.96900000 +0 -15.33700000 +0 O(ATOM 1714 O PRO A 112) 8.02300000 +0 -19.54500000 +0 -16.27900000 +0 C(ATOM 1715 CB PRO A 112) 7.30900000 +0 -22.03500000 +0 -15.08000000 +0 C(ATOM 1716 CG PRO A 112) 6.21000000 +0 -21.46700000 +0 -14.19600000 +0 C(ATOM 1717 CD PRO A 112) 6.82200000 +0 -21.27600000 +0 -12.85800000 +0 H(ATOM 1718 HA PRO A 112) 9.47663271 +1 -21.92395105 +1 -14.72167243 +1 H(ATOM 1719 1HB PRO A 112) 7.10109386 +1 -21.87540280 +1 -16.15499626 +1 H(ATOM 1720 2HB PRO A 112) 7.42067814 +1 -23.12998736 +1 -14.94341012 +1 H(ATOM 1721 1HG PRO A 112) 5.32482062 +1 -22.13950562 +1 -14.16517655 +1 H(ATOM 1722 2HG PRO A 112) 5.82466779 +1 -20.51536657 +1 -14.62478293 +1 H(ATOM 1723 1HD PRO A 112) 6.42883459 +1 -20.38515098 +1 -12.31484548 +1 H(ATOM 1724 2HD PRO A 112) 6.67694441 +1 -22.16969111 +1 -12.19586100 +1 N(ATOM 1725 N PHE A 113) 9.83200000 +0 -19.28300000 +0 -14.90000000 +0 C(ATOM 1726 CA PHE A 113) 10.11100000 +0 -17.90400000 +0 -15.40200000 +0 C(ATOM 1727 C PHE A 113) 10.25600000 +0 -17.79600000 +0 -16.88700000 +0 O(ATOM 1728 O PHE A 113) 9.79800000 +0 -16.80700000 +0 -17.49900000 +0 C(ATOM 1729 CB PHE A 113) 11.36300000 +0 -17.31500000 +0 -14.75600000 +0 C(ATOM 1730 CG PHE A 113) 11.18500000 +0 -16.97100000 +0 -13.32600000 +0 C(ATOM 1731 CD1 PHE A 113) 10.25200000 +0 -16.01000000 +0 -12.95100000 +0 C(ATOM 1732 CD2 PHE A 113) 11.95100000 +0 -17.57600000 +0 -12.36400000 +0 C(ATOM 1733 CE1 PHE A 113) 10.07100000 +0 -15.68100000 +0 -11.65300000 +0 C(ATOM 1734 CE2 PHE A 113) 11.77800000 +0 -17.23300000 +0 -11.02400000 +0 C(ATOM 1735 CZ PHE A 113) 10.87200000 +0 -16.28200000 +0 -10.68200000 +0 H(ATOM 1736 H PHE A 113) 10.37697551 +1 -19.59003853 +1 -14.08250744 +1 H(ATOM 1737 HA PHE A 113) 9.21096277 +1 -17.26911052 +1 -15.10782724 +1 H(ATOM 1738 1HB PHE A 113) 11.65898694 +1 -16.37937795 +1 -15.30936298 +1 H(ATOM 1739 2HB PHE A 113) 12.23080954 +1 -17.99841068 +1 -14.90803581 +1 H(ATOM 1740 HD1 PHE A 113) 9.66479636 +1 -15.51523987 +1 -13.73678779 +1 H(ATOM 1741 HD2 PHE A 113) 12.68632942 +1 -18.33992846 +1 -12.62606655 +1 H(ATOM 1742 HE1 PHE A 113) 9.32637208 +1 -14.94146291 +1 -11.35478706 +1 H(ATOM 1743 HE2 PHE A 113) 12.38028233 +1 -17.73691390 +1 -10.26213834 +1 H(ATOM 1744 HZ PHE A 113) 10.73767016 +1 -16.00506550 +1 -9.63492418 +1 N(ATOM 1745 N LYS A 114) 10.77800000 +0 -18.83000000 +0 -17.51100000 +0 C(ATOM 1746 CA LYS A 114) 10.93000000 +0 -18.69600000 +0 -18.95100000 +0 C(ATOM 1747 C LYS A 114) 9.58800000 +0 -18.70800000 +0 -19.68700000 +0 O(ATOM 1748 O LYS A 114) 9.53700000 +0 -18.23900000 +0 -20.80800000 +0 C(ATOM 1749 CB LYS A 114) 11.87600000 +0 -19.73400000 +0 -19.48300000 +0 C(ATOM 1750 CG LYS A 114) 11.47300000 +0 -21.14800000 +0 -19.14100000 +0 C(ATOM 1751 CD LYS A 114) 12.30100000 +0 -22.19200000 +0 -19.97200000 +0 C(ATOM 1752 CE LYS A 114) 11.40500000 +0 -23.35400000 +0 -20.39300000 +0 N(ATOM 1753 NZ LYS A 114) 11.94800000 +0 -23.97500000 +0 -21.66700000 +0 H(ATOM 1754 H LYS A 114) 11.26605641 +1 -19.60965303 +1 -17.03246448 +1 H(ATOM 1755 HA LYS A 114) 11.36966322 +1 -17.66171789 +1 -19.17513851 +1 H(ATOM 1756 1HB LYS A 114) 11.96277735 +1 -19.61692255 +1 -20.59100106 +1 H(ATOM 1757 2HB LYS A 114) 12.90962589 +1 -19.53729094 +1 -19.10935954 +1 H(ATOM 1758 1HG LYS A 114) 11.61326375 +1 -21.37808260 +1 -18.06734533 +1 H(ATOM 1759 2HG LYS A 114) 10.39314891 +1 -21.29995784 +1 -19.33229140 +1 H(ATOM 1760 1HD LYS A 114) 13.16032001 +1 -22.54355285 +1 -19.37774310 +1 H(ATOM 1761 2HD LYS A 114) 12.73366910 +1 -21.70256213 +1 -20.86518920 +1 H(ATOM 1762 1HE LYS A 114) 11.31573066 +1 -24.09973046 +1 -19.57815913 +1 H(ATOM 1763 2HE LYS A 114) 10.37442605 +1 -23.00945548 +1 -20.62785520 +1 H(ATOM 1764 1HZ LYS A 114) 12.92326764 +1 -24.21897720 +1 -21.54223141 +1 H(ATOM 1765 2HZ LYS A 114) 11.45475010 +1 -24.84053459 +1 -21.85734661 +1 N(ATOM 1766 N ASP A 115) 8.53600000 +0 -19.19100000 +0 -19.04300000 +0 C(ATOM 1767 CA ASP A 115) 7.15600000 +0 -19.16300000 +0 -19.59300000 +0 C(ATOM 1768 C ASP A 115) 6.21900000 +0 -18.27200000 +0 -18.80300000 +0 O(ATOM 1769 O ASP A 115) 5.02200000 +0 -18.53600000 +0 -18.64900000 +0 C(ATOM 1770 CB ASP A 115) 6.64600000 +0 -20.56800000 +0 -19.59800000 +0 C(ATOM 1771 CG ASP A 115) 7.29300000 +0 -21.41800000 +0 -20.66000000 +0 O(ATOM 1772 OD1 ASP A 115) 7.50100000 +0 -20.91900000 +0 -21.76900000 +0 O(ATOM 1773 OD2 ASP A 115) 7.54400000 +0 -22.58500000 +0 -20.40000000 +0 H(ATOM 1774 H ASP A 115) 8.59181656 +1 -19.46854152 +1 -18.04671923 +1 H(ATOM 1775 HA ASP A 115) 7.20388543 +1 -18.74102286 +1 -20.65093511 +1 H(ATOM 1776 1HB ASP A 115) 6.79640779 +1 -21.05758420 +1 -18.60159120 +1 H(ATOM 1777 2HB ASP A 115) 5.53223556 +1 -20.59639832 +1 -19.74312856 +1 H(ATOM 1778 HD1 ASP A 115) 7.90501496 +1 -21.49108395 +1 -22.50984578 +1 N(ATOM 1779 N MET A 116) 6.78700000 +0 -17.16000000 +0 -18.31200000 +0 C(ATOM 1780 CA MET A 116) 6.10000000 +0 -16.08500000 +0 -17.61300000 +0 C(ATOM 1781 C MET A 116) 6.50300000 +0 -14.77200000 +0 -18.29300000 +0 O(ATOM 1782 O MET A 116) 7.43400000 +0 -14.70300000 +0 -19.11000000 +0 C(ATOM 1783 CB MET A 116) 6.48700000 +0 -16.07900000 +0 -16.14800000 +0 C(ATOM 1784 CG MET A 116) 5.83500000 +0 -17.32200000 +0 -15.36400000 +0 S(ATOM 1785 SD MET A 116) 6.64400000 +0 -17.56200000 +0 -13.77900000 +0 C(ATOM 1786 CE MET A 116) 5.77400000 +0 -16.34600000 +0 -12.78100000 +0 H(ATOM 1787 H MET A 116) 7.81182398 +1 -17.03359909 +1 -18.34700277 +1 H(ATOM 1788 HA MET A 116) 4.97815359 +1 -16.23511283 +1 -17.70656386 +1 H(ATOM 1789 1HB MET A 116) 7.58941642 +1 -16.11475497 +1 -16.03709831 +1 H(ATOM 1790 2HB MET A 116) 6.14870190 +1 -15.14769974 +1 -15.65143589 +1 H(ATOM 1791 1HG MET A 116) 4.74798809 +1 -17.15842794 +1 -15.27749079 +1 H(ATOM 1792 2HG MET A 116) 5.99884819 +1 -18.23922414 +1 -15.96733530 +1 H(ATOM 1793 1HE MET A 116) 6.29348973 +1 -16.22409760 +1 -11.82158569 +1 H(ATOM 1794 2HE MET A 116) 5.72410567 +1 -15.35693126 +1 -13.26033622 +1 H(ATOM 1795 3HE MET A 116) 4.74571592 +1 -16.65473517 +1 -12.56040954 +1 N(ATOM 1796 N TRP A 117) 5.72700000 +0 -13.74600000 +0 -18.01600000 +0 C(ATOM 1797 CA TRP A 117) 6.05200000 +0 -12.42400000 +0 -18.43000000 +0 C(ATOM 1798 C TRP A 117) 7.46900000 +0 -12.14200000 +0 -17.99500000 +0 O(ATOM 1799 O TRP A 117) 7.84300000 +0 -12.44900000 +0 -16.89500000 +0 C(ATOM 1800 CB TRP A 117) 5.07600000 +0 -11.38200000 +0 -17.81600000 +0 C(ATOM 1801 CG TRP A 117) 3.76300000 +0 -11.21100000 +0 -18.52900000 +0 C(ATOM 1802 CD1 TRP A 117) 2.56900000 +0 -11.85400000 +0 -18.24200000 +0 N(ATOM 1803 NE1 TRP A 117) 1.58300000 +0 -11.44400000 +0 -19.11700000 +0 C(ATOM 1804 CD2 TRP A 117) 3.48900000 +0 -10.36800000 +0 -19.67600000 +0 C(ATOM 1805 CE2 TRP A 117) 2.11800000 +0 -10.58300000 +0 -20.03600000 +0 C(ATOM 1806 CE3 TRP A 117) 4.26200000 +0 -9.49500000 +0 -20.44400000 +0 C(ATOM 1807 CZ2 TRP A 117) 1.50200000 +0 -9.87300000 +0 -21.04900000 +0 C(ATOM 1808 CZ3 TRP A 117) 3.66300000 +0 -8.83400000 +0 -21.47300000 +0 C(ATOM 1809 CH2 TRP A 117) 2.29400000 +0 -9.01200000 +0 -21.76900000 +0 H(ATOM 1810 H TRP A 117) 4.94918746 +1 -13.81445508 +1 -17.31699841 +1 H(ATOM 1811 HA TRP A 117) 5.94486557 +1 -12.36528818 +1 -19.55801532 +1 H(ATOM 1812 1HB TRP A 117) 5.57920855 +1 -10.38941787 +1 -17.77754629 +1 H(ATOM 1813 2HB TRP A 117) 4.87777411 +1 -11.64027508 +1 -16.75001296 +1 H(ATOM 1814 HD1 TRP A 117) 2.36474777 +1 -12.57730015 +1 -17.46001682 +1 H(ATOM 1815 HE1 TRP A 117) 0.61235318 +1 -11.70037309 +1 -19.05073698 +1 H(ATOM 1816 HE3 TRP A 117) 5.30552304 +1 -9.31825008 +1 -20.18583972 +1 H(ATOM 1817 HZ2 TRP A 117) 0.43823937 +1 -9.97109249 +1 -21.25172727 +1 H(ATOM 1818 HZ3 TRP A 117) 4.23242841 +1 -8.12254072 +1 -22.07408223 +1 H(ATOM 1819 HH2 TRP A 117) 1.85500851 +1 -8.42384800 +1 -22.57620864 +1 N(ATOM 1820 N PRO A 118) 8.26000000 +0 -11.47500000 +0 -18.84600000 +0 C(ATOM 1821 CA PRO A 118) 9.67900000 +0 -11.30500000 +0 -18.55700000 +0 C(ATOM 1822 C PRO A 118) 9.97400000 +0 -10.45400000 +0 -17.34200000 +0 O(ATOM 1823 O PRO A 118) 11.03000000 +0 -10.61600000 +0 -16.72400000 +0 C(ATOM 1824 CB PRO A 118) 10.22300000 +0 -10.60600000 +0 -19.82000000 +0 C(ATOM 1825 CG PRO A 118) 9.30600000 +0 -10.96700000 +0 -20.87700000 +0 C(ATOM 1826 CD PRO A 118) 7.93500000 +0 -11.11900000 +0 -20.24100000 +0 H(ATOM 1827 HA PRO A 118) 10.16508100 +1 -12.31598095 +1 -18.40522431 +1 H(ATOM 1828 1HB PRO A 118) 11.27582720 +1 -10.91412462 +1 -20.01343915 +1 H(ATOM 1829 2HB PRO A 118) 10.29363575 +1 -9.50367420 +1 -19.66546310 +1 H(ATOM 1830 1HG PRO A 118) 9.28477110 +1 -10.22334084 +1 -21.71050761 +1 H(ATOM 1831 2HG PRO A 118) 9.59887500 +1 -11.92544866 +1 -21.37449917 +1 H(ATOM 1832 1HD PRO A 118) 7.34481951 +1 -10.17417088 +1 -20.25708588 +1 H(ATOM 1833 2HD PRO A 118) 7.32851328 +1 -11.90863299 +1 -20.73823011 +1 N(ATOM 1834 N ASP A 119) 9.04900000 +0 -9.60300000 +0 -16.96700000 +0 C(ATOM 1835 CA ASP A 119) 9.31700000 +0 -8.77000000 +0 -15.79100000 +0 C(ATOM 1836 C ASP A 119) 9.24800000 +0 -9.53700000 +0 -14.51800000 +0 O(ATOM 1837 O ASP A 119) 9.79700000 +0 -9.09800000 +0 -13.55100000 +0 C(ATOM 1838 CB ASP A 119) 8.36500000 +0 -7.57100000 +0 -15.65300000 +0 C(ATOM 1839 CG ASP A 119) 6.92100000 +0 -7.96400000 +0 -15.71000000 +0 O(ATOM 1840 OD1 ASP A 119) 6.44000000 +0 -8.45100000 +0 -16.77000000 +0 O(ATOM 1841 OD2 ASP A 119) 6.26800000 +0 -7.85300000 +0 -14.68500000 +0 H(ATOM 1842 H ASP A 119) 8.11482961 +1 -9.50788962 +1 -17.37819584 +1 H(ATOM 1843 HA ASP A 119) 10.37955990 +1 -8.36062177 +1 -15.88688160 +1 H(ATOM 1844 1HB ASP A 119) 8.58419704 +1 -6.81519912 +1 -16.44254360 +1 H(ATOM 1845 2HB ASP A 119) 8.56984110 +1 -7.03369809 +1 -14.69256368 +1 H(ATOM 1846 HD1 ASP A 119) 5.30206418 +1 -8.56695319 +1 -16.79744219 +1 N(ATOM 1847 N ASP A 120) 8.57500000 +0 -10.70700000 +0 -14.50300000 +0 C(ATOM 1848 CA ASP A 120) 8.30400000 +0 -11.41700000 +0 -13.24400000 +0 C(ATOM 1849 C ASP A 120) 9.60100000 +0 -11.88700000 +0 -12.59500000 +0 O(ATOM 1850 O ASP A 120) 9.67800000 +0 -11.99100000 +0 -11.38700000 +0 C(ATOM 1851 CB ASP A 120) 7.39300000 +0 -12.62800000 +0 -13.53900000 +0 C(ATOM 1852 CG ASP A 120) 6.03500000 +0 -12.23000000 +0 -13.96500000 +0 O(ATOM 1853 OD1 ASP A 120) 5.81700000 +0 -11.03800000 +0 -14.29000000 +0 O(ATOM 1854 OD2 ASP A 120) 5.17300000 +0 -13.14600000 +0 -14.12600000 +0 H(ATOM 1855 H ASP A 120) 8.02510757 +1 -11.01469550 +1 -15.31032913 +1 H(ATOM 1856 HA ASP A 120) 7.79431049 +1 -10.72179694 +1 -12.51156837 +1 H(ATOM 1857 1HB ASP A 120) 7.33213371 +1 -13.28939092 +1 -12.64020226 +1 H(ATOM 1858 2HB ASP A 120) 7.84140815 +1 -13.27892599 +1 -14.34162112 +1 H(ATOM 1859 HD1 ASP A 120) 4.94962492 +1 -10.64831339 +1 -14.76226458 +1 N(ATOM 1860 N SER A 121) 10.60800000 +0 -12.19600000 +0 -13.41400000 +0 C(ATOM 1861 CA SER A 121) 11.98100000 +0 -12.57600000 +0 -12.97000000 +0 C(ATOM 1862 C SER A 121) 12.52600000 +0 -11.57500000 +0 -12.01000000 +0 O(ATOM 1863 O SER A 121) 13.37800000 +0 -11.91300000 +0 -11.18600000 +0 C(ATOM 1864 CB SER A 121) 12.98300000 +0 -12.55500000 +0 -14.19000000 +0 O(ATOM 1865 OG SER A 121) 12.82100000 +0 -13.75500000 +0 -14.85600000 +0 H(ATOM 1866 H SER A 121) 10.47313402 +1 -12.23483549 +1 -14.43174296 +1 H(ATOM 1867 HA SER A 121) 11.94791316 +1 -13.61505074 +1 -12.53459829 +1 H(ATOM 1868 1HB SER A 121) 12.74821626 +1 -11.71274538 +1 -14.87202887 +1 H(ATOM 1869 2HB SER A 121) 14.02375594 +1 -12.45511457 +1 -13.81839839 +1 H(ATOM 1870 HG SER A 121) 13.50933438 +1 -13.86451439 +1 -15.57468629 +1 N(ATOM 1871 N TYR A 122) 12.16300000 +0 -10.30800000 +0 -12.20400000 +0 C(ATOM 1872 CA TYR A 122) 12.70900000 +0 -9.21400000 +0 -11.40800000 +0 C(ATOM 1873 C TYR A 122) 11.99100000 +0 -9.04100000 +0 -10.13800000 +0 O(ATOM 1874 O TYR A 122) 12.65000000 +0 -8.86200000 +0 -9.12300000 +0 C(ATOM 1875 CB TYR A 122) 12.68300000 +0 -7.84300000 +0 -12.14600000 +0 C(ATOM 1876 CG TYR A 122) 13.56600000 +0 -7.78100000 +0 -13.36900000 +0 C(ATOM 1877 CD1 TYR A 122) 14.90100000 +0 -7.40400000 +0 -13.28400000 +0 C(ATOM 1878 CD2 TYR A 122) 13.05900000 +0 -8.12200000 +0 -14.59700000 +0 C(ATOM 1879 CE1 TYR A 122) 15.69500000 +0 -7.34400000 +0 -14.44000000 +0 C(ATOM 1880 CE2 TYR A 122) 13.83400000 +0 -8.03600000 +0 -15.75600000 +0 C(ATOM 1881 CZ TYR A 122) 15.11500000 +0 -7.64800000 +0 -15.66800000 +0 O(ATOM 1882 OH TYR A 122) 15.82200000 +0 -7.65300000 +0 -16.82400000 +0 H(ATOM 1883 H TYR A 122) 11.39847303 +1 -10.05306339 +1 -12.83779931 +1 H(ATOM 1884 HA TYR A 122) 13.80307457 +1 -9.46146808 +1 -11.18468844 +1 H(ATOM 1885 1HB TYR A 122) 12.99449759 +1 -7.05365676 +1 -11.42588730 +1 H(ATOM 1886 2HB TYR A 122) 11.63636736 +1 -7.59527453 +1 -12.43374110 +1 H(ATOM 1887 HD1 TYR A 122) 15.34775178 +1 -7.14985760 +1 -12.32091232 +1 H(ATOM 1888 HD2 TYR A 122) 12.02177786 +1 -8.46044999 +1 -14.68597237 +1 H(ATOM 1889 HE1 TYR A 122) 16.73825109 +1 -7.04433365 +1 -14.36739909 +1 H(ATOM 1890 HE2 TYR A 122) 13.38557018 +1 -8.28905585 +1 -16.72033805 +1 H(ATOM 1891 HH TYR A 122) 16.71732970 +1 -7.22857877 +1 -16.71838207 +1 N(ATOM 1892 N TRP A 123) 10.64500000 +0 -9.04200000 +0 -10.15300000 +0 C(ATOM 1893 CA TRP A 123) 9.91600000 +0 -8.72500000 +0 -8.86300000 +0 C(ATOM 1894 C TRP A 123) 9.44700000 +0 -9.94700000 +0 -8.08300000 +0 O(ATOM 1895 O TRP A 123) 9.19600000 +0 -9.85400000 +0 -6.91600000 +0 C(ATOM 1896 CB TRP A 123) 8.69100000 +0 -7.76300000 +0 -9.07500000 +0 C(ATOM 1897 CG TRP A 123) 7.65600000 +0 -8.25700000 +0 -10.04500000 +0 C(ATOM 1898 CD1 TRP A 123) 7.61200000 +0 -8.05100000 +0 -11.35800000 +0 N(ATOM 1899 NE1 TRP A 123) 6.58600000 +0 -8.68900000 +0 -11.92000000 +0 C(ATOM 1900 CD2 TRP A 123) 6.57900000 +0 -9.14600000 +0 -9.75700000 +0 C(ATOM 1901 CE2 TRP A 123) 5.90600000 +0 -9.36600000 +0 -10.96300000 +0 C(ATOM 1902 CE3 TRP A 123) 6.09000000 +0 -9.71300000 +0 -8.59200000 +0 C(ATOM 1903 CZ2 TRP A 123) 4.80600000 +0 -10.18200000 +0 -11.06500000 +0 C(ATOM 1904 CZ3 TRP A 123) 4.99900000 +0 -10.51200000 +0 -8.66700000 +0 C(ATOM 1905 CH2 TRP A 123) 4.32800000 +0 -10.73100000 +0 -9.90700000 +0 H(ATOM 1906 H TRP A 123) 10.07564918 +1 -9.14465601 +1 -10.98534269 +1 H(ATOM 1907 HA TRP A 123) 10.65189745 +1 -8.17963636 +1 -8.19599728 +1 H(ATOM 1908 1HB TRP A 123) 9.07351228 +1 -6.77441195 +1 -9.39808201 +1 H(ATOM 1909 2HB TRP A 123) 8.21895601 +1 -7.59769006 +1 -8.07917128 +1 H(ATOM 1910 HD1 TRP A 123) 8.28376246 +1 -7.44093601 +1 -11.96731982 +1 H(ATOM 1911 HE1 TRP A 123) 6.31708703 +1 -8.64893320 +1 -12.90232690 +1 H(ATOM 1912 HE3 TRP A 123) 6.60312481 +1 -9.52233956 +1 -7.64357072 +1 H(ATOM 1913 HZ2 TRP A 123) 4.30748532 +1 -10.34290807 +1 -12.02462097 +1 H(ATOM 1914 HZ3 TRP A 123) 4.59663143 +1 -10.99646527 +1 -7.77845797 +1 H(ATOM 1915 HH2 TRP A 123) 3.43973764 +1 -11.35937618 +1 -9.91213853 +1 N(ATOM 1916 N PHE A 124) 9.31300000 +0 -11.08300000 +0 -8.73700000 +0 C(ATOM 1917 CA PHE A 124) 8.83400000 +0 -12.29700000 +0 -8.04800000 +0 C(ATOM 1918 C PHE A 124) 9.66600000 +0 -12.65900000 +0 -6.89100000 +0 O(ATOM 1919 O PHE A 124) 9.12800000 +0 -12.97400000 +0 -5.80400000 +0 C(ATOM 1920 CB PHE A 124) 8.72800000 +0 -13.47600000 +0 -9.03300000 +0 C(ATOM 1921 CG PHE A 124) 7.53400000 +0 -14.24800000 +0 -8.87200000 +0 C(ATOM 1922 CD1 PHE A 124) 6.33400000 +0 -13.84500000 +0 -9.43300000 +0 C(ATOM 1923 CD2 PHE A 124) 7.58700000 +0 -15.41700000 +0 -8.14900000 +0 C(ATOM 1924 CE1 PHE A 124) 5.21600000 +0 -14.59700000 +0 -9.27600000 +0 C(ATOM 1925 CE2 PHE A 124) 6.42600000 +0 -16.21300000 +0 -7.95600000 +0 C(ATOM 1926 CZ PHE A 124) 5.24500000 +0 -15.79400000 +0 -8.53100000 +0 H(ATOM 1927 H PHE A 124) 9.53522205 +1 -11.18582710 +1 -9.73012898 +1 H(ATOM 1928 HA PHE A 124) 7.78526209 +1 -12.05672114 +1 -7.66173793 +1 H(ATOM 1929 1HB PHE A 124) 9.65032888 +1 -14.10409269 +1 -8.97452003 +1 H(ATOM 1930 2HB PHE A 124) 8.77237663 +1 -13.08025696 +1 -10.08769937 +1 H(ATOM 1931 HD1 PHE A 124) 6.28851178 +1 -12.90292809 +1 -9.99282763 +1 H(ATOM 1932 HD2 PHE A 124) 8.51748512 +1 -15.74668370 +1 -7.68687821 +1 H(ATOM 1933 HE1 PHE A 124) 4.26837025 +1 -14.28507186 +1 -9.72105099 +1 H(ATOM 1934 HE2 PHE A 124) 6.48761056 +1 -17.12641690 +1 -7.37283010 +1 H(ATOM 1935 HZ PHE A 124) 4.33109195 +1 -16.37301842 +1 -8.41502786 +1 N(ATOM 1936 N PRO A 125) 11.00500000 +0 -12.59700000 +0 -7.03600000 +0 C(ATOM 1937 CA PRO A 125) 11.81700000 +0 -12.86200000 +0 -5.86000000 +0 C(ATOM 1938 C PRO A 125) 11.43300000 +0 -12.03100000 +0 -4.65500000 +0 O(ATOM 1939 O PRO A 125) 11.57300000 +0 -12.51400000 +0 -3.53600000 +0 C(ATOM 1940 CB PRO A 125) 13.24900000 +0 -12.49800000 +0 -6.33200000 +0 C(ATOM 1941 CG PRO A 125) 13.20200000 +0 -12.85800000 +0 -7.79300000 +0 C(ATOM 1942 CD PRO A 125) 11.83000000 +0 -12.41200000 +0 -8.25300000 +0 H(ATOM 1943 HA PRO A 125) 11.75691436 +1 -13.94996953 +1 -5.56773540 +1 H(ATOM 1944 1HB PRO A 125) 14.01662168 +1 -13.07127814 +1 -5.77769413 +1 H(ATOM 1945 2HB PRO A 125) 13.48099563 +1 -11.42936271 +1 -6.16848722 +1 H(ATOM 1946 1HG PRO A 125) 14.00991165 +1 -12.36305789 +1 -8.37505963 +1 H(ATOM 1947 2HG PRO A 125) 13.36259733 +1 -13.94434072 +1 -7.94781688 +1 H(ATOM 1948 1HD PRO A 125) 11.83338991 +1 -11.33719046 +1 -8.55276018 +1 H(ATOM 1949 2HD PRO A 125) 11.42914244 +1 -12.99565459 +1 -9.10584940 +1 N(ATOM 1950 N LEU A 126) 11.04500000 +0 -10.76300000 +0 -4.83900000 +0 C(ATOM 1951 CA LEU A 126) 10.72900000 +0 -9.90100000 +0 -3.68300000 +0 C(ATOM 1952 C LEU A 126) 9.39200000 +0 -10.36100000 +0 -3.04100000 +0 O(ATOM 1953 O LEU A 126) 9.22100000 +0 -10.32200000 +0 -1.84100000 +0 C(ATOM 1954 CB LEU A 126) 10.60300000 +0 -8.43200000 +0 -4.06000000 +0 C(ATOM 1955 CG LEU A 126) 11.79100000 +0 -7.73100000 +0 -4.75400000 +0 C(ATOM 1956 CD1 LEU A 126) 11.41800000 +0 -6.26200000 +0 -5.13800000 +0 C(ATOM 1957 CD2 LEU A 126) 13.03900000 +0 -7.82500000 +0 -3.85100000 +0 H(ATOM 1958 H LEU A 126) 10.80957628 +1 -10.40117871 +1 -5.76278822 +1 H(ATOM 1959 HA LEU A 126) 11.53829915 +1 -10.04273997 +1 -2.90745831 +1 H(ATOM 1960 1HB LEU A 126) 9.70916245 +1 -8.30238639 +1 -4.71746770 +1 H(ATOM 1961 2HB LEU A 126) 10.34816874 +1 -7.86307434 +1 -3.13577830 +1 H(ATOM 1962 HG LEU A 126) 12.01508082 +1 -8.26801671 +1 -5.70718866 +1 H(ATOM 1963 1HD1 LEU A 126) 10.54759800 +1 -6.24132615 +1 -5.79674911 +1 H(ATOM 1964 2HD1 LEU A 126) 11.19321790 +1 -5.66805709 +1 -4.24945491 +1 H(ATOM 1965 3HD1 LEU A 126) 12.25377872 +1 -5.78049629 +1 -5.65643737 +1 H(ATOM 1966 1HD2 LEU A 126) 13.31894766 +1 -8.86616605 +1 -3.66398827 +1 H(ATOM 1967 2HD2 LEU A 126) 13.89852265 +1 -7.33127672 +1 -4.31650834 +1 H(ATOM 1968 3HD2 LEU A 126) 12.87943518 +1 -7.33668294 +1 -2.88273963 +1 N(ATOM 1969 N LEU A 127) 8.44400000 +0 -10.76000000 +0 -3.87000000 +0 C(ATOM 1970 CA LEU A 127) 7.21800000 +0 -11.38000000 +0 -3.36700000 +0 C(ATOM 1971 C LEU A 127) 7.54900000 +0 -12.60000000 +0 -2.48000000 +0 O(ATOM 1972 O LEU A 127) 7.01300000 +0 -12.77300000 +0 -1.36800000 +0 C(ATOM 1973 CB LEU A 127) 6.33700000 +0 -11.79700000 +0 -4.56600000 +0 C(ATOM 1974 CG LEU A 127) 4.97000000 +0 -12.52200000 +0 -4.34100000 +0 C(ATOM 1975 CD1 LEU A 127) 3.76000000 +0 -11.73500000 +0 -4.83900000 +0 C(ATOM 1976 CD2 LEU A 127) 4.96400000 +0 -13.82500000 +0 -5.14300000 +0 H(ATOM 1977 H LEU A 127) 8.59465792 +1 -10.79673624 +1 -4.88662698 +1 H(ATOM 1978 HA LEU A 127) 6.66829739 +1 -10.63498363 +1 -2.71762571 +1 H(ATOM 1979 1HB LEU A 127) 6.13493061 +1 -10.87701155 +1 -5.15776331 +1 H(ATOM 1980 2HB LEU A 127) 6.95536810 +1 -12.43181493 +1 -5.24264940 +1 H(ATOM 1981 HG LEU A 127) 4.86272444 +1 -12.73929912 +1 -3.25272586 +1 H(ATOM 1982 1HD1 LEU A 127) 3.58015302 +1 -10.84141965 +1 -4.22725652 +1 H(ATOM 1983 2HD1 LEU A 127) 3.89253997 +1 -11.39732607 +1 -5.87371166 +1 H(ATOM 1984 3HD1 LEU A 127) 2.84561263 +1 -12.33809656 +1 -4.82544117 +1 H(ATOM 1985 1HD2 LEU A 127) 5.79940256 +1 -14.47956159 +1 -4.86431741 +1 H(ATOM 1986 2HD2 LEU A 127) 4.04327197 +1 -14.39481055 +1 -4.97413519 +1 H(ATOM 1987 3HD2 LEU A 127) 5.04701805 +1 -13.64209577 +1 -6.22070605 +1 N(ATOM 1988 N LEU A 128) 8.43300000 +0 -13.45900000 +0 -2.99000000 +0 C(ATOM 1989 CA LEU A 128) 8.77000000 +0 -14.68700000 +0 -2.32200000 +0 C(ATOM 1990 C LEU A 128) 9.50100000 +0 -14.40300000 +0 -1.02600000 +0 O(ATOM 1991 O LEU A 128) 9.35900000 +0 -15.14800000 +0 -0.03500000 +0 C(ATOM 1992 CB LEU A 128) 9.60700000 +0 -15.60800000 +0 -3.23000000 +0 C(ATOM 1993 CG LEU A 128) 8.92300000 +0 -16.26400000 +0 -4.41100000 +0 C(ATOM 1994 CD1 LEU A 128) 10.05800000 +0 -17.15600000 +0 -5.03500000 +0 C(ATOM 1995 CD2 LEU A 128) 7.62100000 +0 -17.06600000 +0 -4.05200000 +0 H(ATOM 1996 H LEU A 128) 8.84448227 +1 -13.31593019 +1 -3.92340137 +1 H(ATOM 1997 HA LEU A 128) 7.81113810 +1 -15.23437643 +1 -2.03914182 +1 H(ATOM 1998 1HB LEU A 128) 10.03603548 +1 -16.40686034 +1 -2.57524917 +1 H(ATOM 1999 2HB LEU A 128) 10.49055692 +1 -15.02835715 +1 -3.59049084 +1 H(ATOM 2000 HG LEU A 128) 8.63176010 +1 -15.48936631 +1 -5.16042220 +1 H(ATOM 2001 1HD1 LEU A 128) 11.03388044 +1 -16.66637588 +1 -4.98969809 +1 H(ATOM 2002 2HD1 LEU A 128) 10.13864281 +1 -18.11172835 +1 -4.51057383 +1 H(ATOM 2003 3HD1 LEU A 128) 9.85553000 +1 -17.36542753 +1 -6.08529003 +1 H(ATOM 2004 1HD2 LEU A 128) 6.82715627 +1 -16.38648293 +1 -3.73376461 +1 H(ATOM 2005 2HD2 LEU A 128) 7.27208698 +1 -17.62302575 +1 -4.92301658 +1 H(ATOM 2006 3HD2 LEU A 128) 7.81519127 +1 -17.77537729 +1 -3.24194271 +1 N(ATOM 2007 N GLN A 129) 10.25300000 +0 -13.30300000 +0 -1.00100000 +0 C(ATOM 2008 CA GLN A 129) 11.00400000 +0 -12.86600000 +0 0.16100000 +0 C(ATOM 2009 C GLN A 129) 10.16300000 +0 -11.98300000 +0 1.05700000 +0 O(ATOM 2010 O GLN A 129) 10.66100000 +0 -11.42200000 +0 1.98000000 +0 C(ATOM 2011 CB GLN A 129) 12.30000000 +0 -12.08800000 +0 -0.23600000 +0 C(ATOM 2012 CG GLN A 129) 13.33300000 +0 -12.96000000 +0 -1.03300000 +0 C(ATOM 2013 CD GLN A 129) 14.25300000 +0 -12.17200000 +0 -1.97600000 +0 O(ATOM 2014 OE1 GLN A 129) 14.56600000 +0 -11.01500000 +0 -1.73400000 +0 N(ATOM 2015 NE2 GLN A 129) 14.63700000 +0 -12.81300000 +0 -3.07800000 +0 H(ATOM 2016 H GLN A 129) 10.46465461 +1 -12.77996314 +1 -1.86813900 +1 H(ATOM 2017 HA GLN A 129) 11.31221456 +1 -13.77125049 +1 0.77147997 +1 H(ATOM 2018 1HB GLN A 129) 12.02322803 +1 -11.20873499 +1 -0.85122193 +1 H(ATOM 2019 2HB GLN A 129) 12.77768401 +1 -11.69575963 +1 0.68304632 +1 H(ATOM 2020 1HG GLN A 129) 12.77592361 +1 -13.72719075 +1 -1.61108008 +1 H(ATOM 2021 2HG GLN A 129) 13.96829999 +1 -13.52050170 +1 -0.31709763 +1 H(ATOM 2022 1HE2 GLN A 129) 14.26547631 +1 -13.70979218 +1 -3.35927340 +1 H(ATOM 2023 2HE2 GLN A 129) 15.24292865 +1 -12.37377549 +1 -3.75458312 +1 N(ATOM 2024 N LYS A 130) 8.88700000 +0 -11.85000000 +0 0.74800000 +0 C(ATOM 2025 CA LYS A 130) 7.93400000 +0 -11.11700000 +0 1.56200000 +0 C(ATOM 2026 C LYS A 130) 8.30300000 +0 -9.62900000 +0 1.78800000 +0 O(ATOM 2027 O LYS A 130) 8.18600000 +0 -9.10700000 +0 2.89500000 +0 C(ATOM 2028 CB LYS A 130) 7.71700000 +0 -11.83600000 +0 2.91700000 +0 C(ATOM 2029 CG LYS A 130) 7.84700000 +0 -13.42300000 +0 2.92500000 +0 C(ATOM 2030 CD LYS A 130) 6.48500000 +0 -14.18900000 +0 2.97100000 +0 C(ATOM 2031 CE LYS A 130) 6.53600000 +0 -15.49700000 +0 3.79600000 +0 N(ATOM 2032 NZ LYS A 130) 6.85400000 +0 -15.27500000 +0 5.28400000 +0 H(ATOM 2033 H LYS A 130) 8.47842515 +1 -12.26632730 +1 -0.09587265 +1 H(ATOM 2034 HA LYS A 130) 6.94510281 +1 -11.11993127 +1 1.00663749 +1 H(ATOM 2035 1HB LYS A 130) 8.46480641 +1 -11.44842215 +1 3.63842831 +1 H(ATOM 2036 2HB LYS A 130) 6.72950626 +1 -11.55349978 +1 3.31687970 +1 H(ATOM 2037 1HG LYS A 130) 8.45604580 +1 -13.68874832 +1 3.80376200 +1 H(ATOM 2038 2HG LYS A 130) 8.40852182 +1 -13.76955099 +1 2.04320353 +1 H(ATOM 2039 1HD LYS A 130) 6.16808991 +1 -14.42057867 +1 1.93856621 +1 H(ATOM 2040 2HD LYS A 130) 5.69515495 +1 -13.52714494 +1 3.37025245 +1 H(ATOM 2041 1HE LYS A 130) 5.56307875 +1 -16.01936906 +1 3.74214185 +1 H(ATOM 2042 2HE LYS A 130) 7.31069307 +1 -16.18014541 +1 3.39908593 +1 H(ATOM 2043 1HZ LYS A 130) 7.71840723 +1 -14.75011308 +1 5.35743851 +1 H(ATOM 2044 2HZ LYS A 130) 6.13072003 +1 -14.69379584 +1 5.68965627 +1 N(ATOM 2045 N LYS A 131) 8.74600000 +0 -8.97800000 +0 0.71900000 +0 C(ATOM 2046 CA LYS A 131) 9.06600000 +0 -7.55700000 +0 0.69900000 +0 C(ATOM 2047 C LYS A 131) 8.06900000 +0 -6.83800000 +0 -0.20400000 +0 O(ATOM 2048 O LYS A 131) 7.81100000 +0 -7.29700000 +0 -1.27400000 +0 C(ATOM 2049 CB LYS A 131) 10.42600000 +0 -7.36700000 +0 0.10200000 +0 C(ATOM 2050 CG LYS A 131) 11.58300000 +0 -8.14400000 +0 0.78800000 +0 C(ATOM 2051 CD LYS A 131) 11.82700000 +0 -7.76900000 +0 2.25100000 +0 C(ATOM 2052 CE LYS A 131) 13.06700000 +0 -8.59500000 +0 2.75900000 +0 N(ATOM 2053 NZ LYS A 131) 12.97800000 +0 -9.05300000 +0 4.16400000 +0 H(ATOM 2054 H LYS A 131) 8.96903121 +1 -9.47195502 +1 -0.15896122 +1 H(ATOM 2055 HA LYS A 131) 9.02958357 +1 -7.15025638 +1 1.75381465 +1 H(ATOM 2056 1HB LYS A 131) 10.41589342 +1 -7.66160854 +1 -0.97436703 +1 H(ATOM 2057 2HB LYS A 131) 10.68039488 +1 -6.28389568 +1 0.10483173 +1 H(ATOM 2058 1HG LYS A 131) 12.50254243 +1 -7.97329914 +1 0.19440457 +1 H(ATOM 2059 2HG LYS A 131) 11.36216318 +1 -9.23226030 +1 0.72713852 +1 H(ATOM 2060 1HD LYS A 131) 12.00134925 +1 -6.69142272 +1 2.37664177 +1 H(ATOM 2061 2HD LYS A 131) 10.93906386 +1 -8.01116735 +1 2.86389243 +1 H(ATOM 2062 1HE LYS A 131) 13.22740173 +1 -9.45855416 +1 2.07119899 +1 H(ATOM 2063 2HE LYS A 131) 13.97030779 +1 -7.95328983 +1 2.66784735 +1 H(ATOM 2064 1HZ LYS A 131) 12.24342762 +1 -9.74806329 +1 4.24653875 +1 H(ATOM 2065 2HZ LYS A 131) 13.84648985 +1 -9.50199542 +1 4.44190319 +1 N(ATOM 2066 N LYS A 132) 7.53000000 +0 -5.72300000 +0 0.20200000 +0 C(ATOM 2067 CA LYS A 132) 6.55100000 +0 -4.99800000 +0 -0.60500000 +0 C(ATOM 2068 C LYS A 132) 7.34700000 +0 -4.21500000 +0 -1.66600000 +0 O(ATOM 2069 O LYS A 132) 8.45000000 +0 -3.75600000 +0 -1.37300000 +0 C(ATOM 2070 CB LYS A 132) 5.71900000 +0 -4.06000000 +0 0.26600000 +0 C(ATOM 2071 CG LYS A 132) 4.83700000 +0 -4.77500000 +0 1.27000000 +0 C(ATOM 2072 CD LYS A 132) 4.35600000 +0 -3.81900000 +0 2.43800000 +0 C(ATOM 2073 CE LYS A 132) 3.69200000 +0 -4.63700000 +0 3.59600000 +0 N(ATOM 2074 NZ LYS A 132) 2.33600000 +0 -4.16400000 +0 4.10500000 +0 H(ATOM 2075 H LYS A 132) 7.89222850 +1 -5.19517722 +1 1.00922277 +1 H(ATOM 2076 HA LYS A 132) 5.87159813 +1 -5.75216230 +1 -1.11689780 +1 H(ATOM 2077 1HB LYS A 132) 5.09929881 +1 -3.40938579 +1 -0.38762469 +1 H(ATOM 2078 2HB LYS A 132) 6.39478815 +1 -3.34665808 +1 0.79912950 +1 H(ATOM 2079 1HG LYS A 132) 3.94149134 +1 -5.19564834 +1 0.77672257 +1 H(ATOM 2080 2HG LYS A 132) 5.38221313 +1 -5.62199663 +1 1.72543027 +1 H(ATOM 2081 1HD LYS A 132) 3.63813374 +1 -3.08611377 +1 2.03905821 +1 H(ATOM 2082 2HD LYS A 132) 5.20552233 +1 -3.24106911 +1 2.83076182 +1 H(ATOM 2083 1HE LYS A 132) 3.60168446 +1 -5.69571788 +1 3.27783912 +1 H(ATOM 2084 2HE LYS A 132) 4.39418176 +1 -4.62466794 +1 4.45627611 +1 H(ATOM 2085 1HZ LYS A 132) 1.60924156 +1 -4.71445493 +1 3.66142895 +1 H(ATOM 2086 2HZ LYS A 132) 2.27906450 +1 -4.33203362 +1 5.09949118 +1 N(ATOM 2087 N PHE A 133) 6.80800000 +0 -4.05900000 +0 -2.86000000 +0 C(ATOM 2088 CA PHE A 133) 7.57900000 +0 -3.40500000 +0 -3.92400000 +0 C(ATOM 2089 C PHE A 133) 6.71400000 +0 -2.50200000 +0 -4.76000000 +0 O(ATOM 2090 O PHE A 133) 5.47400000 +0 -2.64200000 +0 -4.82000000 +0 C(ATOM 2091 CB PHE A 133) 8.21600000 +0 -4.45900000 +0 -4.75800000 +0 C(ATOM 2092 CG PHE A 133) 7.22300000 +0 -5.39400000 +0 -5.37400000 +0 C(ATOM 2093 CD1 PHE A 133) 6.62800000 +0 -5.07900000 +0 -6.59900000 +0 C(ATOM 2094 CD2 PHE A 133) 6.90200000 +0 -6.56000000 +0 -4.74300000 +0 C(ATOM 2095 CE1 PHE A 133) 5.74500000 +0 -5.92100000 +0 -7.16900000 +0 C(ATOM 2096 CE2 PHE A 133) 5.96800000 +0 -7.39400000 +0 -5.28100000 +0 C(ATOM 2097 CZ PHE A 133) 5.39100000 +0 -7.09200000 +0 -6.49100000 +0 H(ATOM 2098 H PHE A 133) 5.89949338 +1 -4.46161206 +1 -3.12151385 +1 H(ATOM 2099 HA PHE A 133) 8.39799542 +1 -2.77381447 +1 -3.43115376 +1 H(ATOM 2100 1HB PHE A 133) 8.86860532 +1 -4.00442300 +1 -5.54336986 +1 H(ATOM 2101 2HB PHE A 133) 8.94427398 +1 -5.03941186 +1 -4.13300981 +1 H(ATOM 2102 HD1 PHE A 133) 6.89685922 +1 -4.13901511 +1 -7.08959962 +1 H(ATOM 2103 HD2 PHE A 133) 7.36965548 +1 -6.82070402 +1 -3.77940110 +1 H(ATOM 2104 HE1 PHE A 133) 5.29387717 +1 -5.70596675 +1 -8.13922400 +1 H(ATOM 2105 HE2 PHE A 133) 5.68437540 +1 -8.30945940 +1 -4.75081302 +1 H(ATOM 2106 HZ PHE A 133) 4.66267254 +1 -7.76718667 +1 -6.94113368 +1 N(ATOM 2107 N HIS A 134) 7.37200000 +0 -1.57800000 +0 -5.44200000 +0 C(ATOM 2108 CA HIS A 134) 6.77100000 +0 -0.82700000 +0 -6.52200000 +0 C(ATOM 2109 C HIS A 134) 7.69400000 +0 -1.05200000 +0 -7.72200000 +0 O(ATOM 2110 O HIS A 134) 8.95700000 +0 -0.88500000 +0 -7.61600000 +0 C(ATOM 2111 CB HIS A 134) 6.72800000 +0 0.65100000 +0 -6.26200000 +0 C(ATOM 2112 CG HIS A 134) 5.59700000 +0 1.10300000 +0 -5.42200000 +0 N(ATOM 2113 ND1 HIS A 134) 5.39400000 +0 2.43100000 +0 -5.15000000 +0 C(ATOM 2114 CD2 HIS A 134) 4.64200000 +0 0.43100000 +0 -4.73800000 +0 N(ATOM 2115 NE2 HIS A 134) 3.84600000 +0 1.36300000 +0 -4.13300000 +0 C(ATOM 2116 CE1 HIS A 134) 4.36300000 +0 2.55500000 +0 -4.33500000 +0 H(ATOM 2117 H HIS A 134) 8.40292327 +1 -1.48237777 +1 -5.37413724 +1 H(ATOM 2118 HA HIS A 134) 5.71681208 +1 -1.21811611 +1 -6.72739219 +1 H(ATOM 2119 1HB HIS A 134) 6.67188006 +1 1.19956889 +1 -7.24710798 +1 H(ATOM 2120 2HB HIS A 134) 7.69634099 +1 0.99248476 +1 -5.81224052 +1 H(ATOM 2121 HD1 HIS A 134) 6.01533579 +1 3.18087317 +1 -5.47027957 +1 H(ATOM 2122 HD2 HIS A 134) 4.45557077 +1 -0.63907261 +1 -4.66347252 +1 H(ATOM 2123 HE2 HIS A 134) 2.91145472 +1 1.15551596 +1 -3.62540274 +1 H(ATOM 2124 HE1 HIS A 134) 3.97191523 +1 3.50997925 +1 -3.93661260 +1 N(ATOM 2125 N GLY A 135) 7.09600000 +0 -1.51200000 +0 -8.80400000 +0 C(ATOM 2126 CA GLY A 135) 7.80900000 +0 -1.63100000 +0 -10.04500000 +0 C(ATOM 2127 C GLY A 135) 7.18700000 +0 -0.86000000 +0 -11.19100000 +0 O(ATOM 2128 O GLY A 135) 5.97700000 +0 -0.51800000 +0 -11.18200000 +0 H(ATOM 2129 H GLY A 135) 6.06010048 +1 -1.63383868 +1 -8.86215178 +1 H(ATOM 2130 1HA GLY A 135) 7.85307850 +1 -2.71826377 +1 -10.34295716 +1 H(ATOM 2131 2HA GLY A 135) 8.89442644 +1 -1.33999695 +1 -9.91791608 +1 N(ATOM 2132 N TYR A 136) 8.01000000 +0 -0.67700000 +0 -12.22300000 +0 C(ATOM 2133 CA TYR A 136) 7.57100000 +0 -0.02100000 +0 -13.48400000 +0 C(ATOM 2134 C TYR A 136) 8.36500000 +0 -0.68400000 +0 -14.58800000 +0 O(ATOM 2135 O TYR A 136) 9.57800000 +0 -0.79200000 +0 -14.50200000 +0 C(ATOM 2136 CB TYR A 136) 7.86000000 +0 1.51300000 +0 -13.46800000 +0 C(ATOM 2137 CG TYR A 136) 7.83300000 +0 2.12900000 +0 -14.85700000 +0 C(ATOM 2138 CD1 TYR A 136) 6.63400000 +0 2.31700000 +0 -15.52600000 +0 C(ATOM 2139 CD2 TYR A 136) 9.01200000 +0 2.46900000 +0 -15.53100000 +0 C(ATOM 2140 CE1 TYR A 136) 6.61300000 +0 2.87600000 +0 -16.80000000 +0 C(ATOM 2141 CE2 TYR A 136) 8.97800000 +0 3.02900000 +0 -16.82600000 +0 C(ATOM 2142 CZ TYR A 136) 7.78400000 +0 3.19900000 +0 -17.45300000 +0 O(ATOM 2143 OH TYR A 136) 7.70000000 +0 3.75900000 +0 -18.71500000 +0 H(ATOM 2144 H TYR A 136) 9.03176926 +1 -0.84310158 +1 -12.17436880 +1 H(ATOM 2145 HA TYR A 136) 6.45483759 +1 -0.17211028 +1 -13.60219901 +1 H(ATOM 2146 1HB TYR A 136) 8.85170711 +1 1.69197438 +1 -12.99284892 +1 H(ATOM 2147 2HB TYR A 136) 7.12073409 +1 2.00808726 +1 -12.80899358 +1 H(ATOM 2148 HD1 TYR A 136) 5.69177092 +1 2.01719180 +1 -15.05585628 +1 H(ATOM 2149 HD2 TYR A 136) 9.97876330 +1 2.31568492 +1 -15.04927743 +1 H(ATOM 2150 HE1 TYR A 136) 5.65020893 +1 3.03735457 +1 -17.28831232 +1 H(ATOM 2151 HE2 TYR A 136) 9.91842239 +1 3.30941025 +1 -17.30914033 +1 H(ATOM 2152 HH TYR A 136) 6.85033800 +1 3.59399955 +1 -19.18629578 +1 N(ATOM 2153 N PHE A 137) 7.68500000 +0 -1.14000000 +0 -15.60900000 +0 C(ATOM 2154 CA PHE A 137) 8.31400000 +0 -1.74200000 +0 -16.77500000 +0 C(ATOM 2155 C PHE A 137) 7.72900000 +0 -1.15100000 +0 -18.01000000 +0 O(ATOM 2156 O PHE A 137) 6.52800000 +0 -1.05100000 +0 -18.15000000 +0 C(ATOM 2157 CB PHE A 137) 8.13000000 +0 -3.27800000 +0 -16.79800000 +0 C(ATOM 2158 CG PHE A 137) 8.73500000 +0 -3.96400000 +0 -15.57400000 +0 C(ATOM 2159 CD1 PHE A 137) 8.05200000 +0 -3.96600000 +0 -14.38800000 +0 C(ATOM 2160 CD2 PHE A 137) 9.97500000 +0 -4.48900000 +0 -15.60700000 +0 C(ATOM 2161 CE1 PHE A 137) 8.62800000 +0 -4.55100000 +0 -13.19400000 +0 C(ATOM 2162 CE2 PHE A 137) 10.56700000 +0 -4.99100000 +0 -14.44700000 +0 C(ATOM 2163 CZ PHE A 137) 9.87400000 +0 -5.08100000 +0 -13.28500000 +0 H(ATOM 2164 H PHE A 137) 6.65355576 +1 -1.03696459 +1 -15.66796404 +1 H(ATOM 2165 HA PHE A 137) 9.43913461 +1 -1.54267039 +1 -16.71560303 +1 H(ATOM 2166 1HB PHE A 137) 8.57899078 +1 -3.68450793 +1 -17.72723803 +1 H(ATOM 2167 2HB PHE A 137) 7.04449057 +1 -3.51686449 +1 -16.85497777 +1 H(ATOM 2168 HD1 PHE A 137) 7.05388561 +1 -3.53837024 +1 -14.30846559 +1 H(ATOM 2169 HD2 PHE A 137) 10.56136905 +1 -4.49141605 +1 -16.53318076 +1 H(ATOM 2170 HE1 PHE A 137) 8.04126636 +1 -4.55925415 +1 -12.28357478 +1 H(ATOM 2171 HE2 PHE A 137) 11.60067570 +1 -5.35174183 +1 -14.50196497 +1 H(ATOM 2172 HZ PHE A 137) 10.34311808 +1 -5.53278553 +1 -12.40311542 +1 N(ATOM 2173 N LYS A 138) 8.58000000 +0 -0.76500000 +0 -18.95700000 +0 C(ATOM 2174 CA LYS A 138) 8.13700000 +0 -0.33600000 +0 -20.25300000 +0 C(ATOM 2175 C LYS A 138) 8.47700000 +0 -1.44800000 +0 -21.23000000 +0 O(ATOM 2176 O LYS A 138) 9.66800000 +0 -1.79200000 +0 -21.39800000 +0 C(ATOM 2177 CB LYS A 138) 8.91100000 +0 0.91300000 +0 -20.66700000 +0 C(ATOM 2178 CG LYS A 138) 8.78600000 +0 1.32000000 +0 -22.09800000 +0 C(ATOM 2179 CD LYS A 138) 9.50200000 +0 2.65600000 +0 -22.29800000 +0 C(ATOM 2180 CE LYS A 138) 9.49000000 +0 3.22100000 +0 -23.74500000 +0 N(ATOM 2181 NZ LYS A 138) 10.44000000 +0 4.45800000 +0 -23.86000000 +0 H(ATOM 2182 H LYS A 138) 9.60845896 +1 -0.85123149 +1 -18.85865666 +1 H(ATOM 2183 HA LYS A 138) 7.02320597 +1 -0.12415259 +1 -20.24969173 +1 H(ATOM 2184 1HB LYS A 138) 9.99352263 +1 0.76475624 +1 -20.42161588 +1 H(ATOM 2185 2HB LYS A 138) 8.59124936 +1 1.75182682 +1 -19.99964019 +1 H(ATOM 2186 1HG LYS A 138) 9.21144584 +1 0.54860209 +1 -22.77722367 +1 H(ATOM 2187 2HG LYS A 138) 7.72205572 +1 1.40698764 +1 -22.40491252 +1 H(ATOM 2188 1HD LYS A 138) 9.04027900 +1 3.41837452 +1 -21.62575899 +1 H(ATOM 2189 2HD LYS A 138) 10.56048707 +1 2.56964181 +1 -21.95579332 +1 H(ATOM 2190 1HE LYS A 138) 9.83516968 +1 2.46567256 +1 -24.47848261 +1 H(ATOM 2191 2HE LYS A 138) 8.47192358 +1 3.54304890 +1 -24.03623458 +1 H(ATOM 2192 1HZ LYS A 138) 11.43876502 +1 4.15515871 +1 -23.75812142 +1 H(ATOM 2193 2HZ LYS A 138) 10.31114635 +1 4.91258655 +1 -24.77800049 +1 H(ATOM 2194 3HZ LYS A 138) 10.22442356 +1 5.13240175 +1 -23.11682924 +1 N(ATOM 2195 N PHE A 139) 7.47200000 +0 -1.92600000 +0 -21.95100000 +0 C(ATOM 2196 CA PHE A 139) 7.62300000 +0 -2.98200000 +0 -22.91000000 +0 C(ATOM 2197 C PHE A 139) 7.42400000 +0 -2.46400000 +0 -24.30400000 +0 O(ATOM 2198 O PHE A 139) 6.59200000 +0 -1.57000000 +0 -24.52900000 +0 C(ATOM 2199 CB PHE A 139) 6.53500000 +0 -4.06000000 +0 -22.70700000 +0 C(ATOM 2200 CG PHE A 139) 6.81300000 +0 -5.06600000 +0 -21.67500000 +0 C(ATOM 2201 CD1 PHE A 139) 6.55200000 +0 -4.82200000 +0 -20.33600000 +0 C(ATOM 2202 CD2 PHE A 139) 7.19400000 +0 -6.32500000 +0 -22.05200000 +0 C(ATOM 2203 CE1 PHE A 139) 6.74000000 +0 -5.85100000 +0 -19.35300000 +0 C(ATOM 2204 CE2 PHE A 139) 7.40800000 +0 -7.33900000 +0 -21.12900000 +0 C(ATOM 2205 CZ PHE A 139) 7.21300000 +0 -7.13300000 +0 -19.79600000 +0 H(ATOM 2206 H PHE A 139) 6.51850540 +1 -1.53192502 +1 -21.90869208 +1 H(ATOM 2207 HA PHE A 139) 8.64753920 +1 -3.46978509 +1 -22.78398821 +1 H(ATOM 2208 1HB PHE A 139) 6.33141681 +1 -4.56624946 +1 -23.68740864 +1 H(ATOM 2209 2HB PHE A 139) 5.55532798 +1 -3.55638859 +1 -22.49692243 +1 H(ATOM 2210 HD1 PHE A 139) 6.19527315 +1 -3.84836469 +1 -20.01018999 +1 H(ATOM 2211 HD2 PHE A 139) 7.34845928 +1 -6.54374750 +1 -23.11546043 +1 H(ATOM 2212 HE1 PHE A 139) 6.52672306 +1 -5.66897555 +1 -18.31380308 +1 H(ATOM 2213 HE2 PHE A 139) 7.72753897 +1 -8.31816372 +1 -21.49784119 +1 H(ATOM 2214 HZ PHE A 139) 7.36256853 +1 -7.91000965 +1 -19.05234182 +1 N(ATOM 2215 N GLN A 140) 8.20800000 +0 -2.99300000 +0 -25.23500000 +0 C(ATOM 2216 CA GLN A 140) 7.91900000 +0 -2.96300000 +0 -26.68600000 +0 C(ATOM 2217 C GLN A 140) 7.37000000 +0 -4.31700000 +0 -27.06100000 +0 O(ATOM 2218 O GLN A 140) 8.12600000 +0 -5.26400000 +0 -27.13600000 +0 C(ATOM 2219 CB GLN A 140) 9.24600000 +0 -2.72000000 +0 -27.44100000 +0 C(ATOM 2220 CG GLN A 140) 9.19100000 +0 -2.68000000 +0 -28.94500000 +0 C(ATOM 2221 CD GLN A 140) 10.58600000 +0 -2.20600000 +0 -29.45900000 +0 O(ATOM 2222 OE1 GLN A 140) 11.48600000 +0 -3.04100000 +0 -29.72600000 +0 N(ATOM 2223 NE2 GLN A 140) 10.80200000 +0 -0.87600000 +0 -29.48000000 +0 H(ATOM 2224 H GLN A 140) 8.86143691 +1 -3.75849948 +1 -24.97658641 +1 H(ATOM 2225 HA GLN A 140) 7.19895659 +1 -2.12757816 +1 -26.90597376 +1 H(ATOM 2226 1HB GLN A 140) 9.97262632 +1 -3.51453134 +1 -27.13263662 +1 H(ATOM 2227 2HB GLN A 140) 9.67709044 +1 -1.76955831 +1 -27.04549294 +1 H(ATOM 2228 1HG GLN A 140) 8.97732037 +1 -3.68247455 +1 -29.37599569 +1 H(ATOM 2229 2HG GLN A 140) 8.38991103 +1 -2.01998674 +1 -29.32803242 +1 H(ATOM 2230 1HE2 GLN A 140) 11.68224584 +1 -0.48324865 +1 -29.78327326 +1 H(ATOM 2231 2HE2 GLN A 140) 10.07278541 +1 -0.20364777 +1 -29.31622758 +1 N(ATOM 2232 N GLY A 141) 6.07000000 +0 -4.40900000 +0 -27.30500000 +0 C(ATOM 2233 CA GLY A 141) 5.42200000 +0 -5.68900000 +0 -27.59100000 +0 C(ATOM 2234 C GLY A 141) 5.43600000 +0 -6.48900000 +0 -26.29500000 +0 O(ATOM 2235 O GLY A 141) 5.56100000 +0 -5.94300000 +0 -25.26000000 +0 H(ATOM 2236 H GLY A 141) 5.41784037 +1 -3.64220848 +1 -27.09779032 +1 H(ATOM 2237 1HA GLY A 141) 5.94323490 +1 -6.21604223 +1 -28.42708861 +1 H(ATOM 2238 2HA GLY A 141) 4.37187315 +1 -5.51998010 +1 -27.93613233 +1 N(ATOM 2239 N GLN A 142) 5.38700000 +0 -7.80200000 +0 -26.35500000 +0 C(ATOM 2240 CA GLN A 142) 5.17500000 +0 -8.58400000 +0 -25.14100000 +0 C(ATOM 2241 C GLN A 142) 6.43700000 +0 -9.22000000 +0 -24.62800000 +0 O(ATOM 2242 O GLN A 142) 6.38200000 +0 -9.93300000 +0 -23.62400000 +0 C(ATOM 2243 CB GLN A 142) 4.15600000 +0 -9.69500000 +0 -25.40800000 +0 C(ATOM 2244 CG GLN A 142) 2.84700000 +0 -9.21900000 +0 -25.93900000 +0 C(ATOM 2245 CD GLN A 142) 1.71600000 +0 -10.17300000 +0 -25.52700000 +0 O(ATOM 2246 OE1 GLN A 142) 1.93100000 +0 -11.41000000 +0 -25.34300000 +0 N(ATOM 2247 NE2 GLN A 142) 0.51200000 +0 -9.60700000 +0 -25.35200000 +0 H(ATOM 2248 H GLN A 142) 5.24898967 +1 -8.30344559 +1 -27.24610024 +1 H(ATOM 2249 HA GLN A 142) 4.78403276 +1 -7.90243096 +1 -24.31693458 +1 H(ATOM 2250 1HB GLN A 142) 3.99824907 +1 -10.26315649 +1 -24.45695326 +1 H(ATOM 2251 2HB GLN A 142) 4.59411831 +1 -10.46077756 +1 -26.09411628 +1 H(ATOM 2252 1HG GLN A 142) 2.61785599 +1 -8.18196136 +1 -25.60666694 +1 H(ATOM 2253 2HG GLN A 142) 2.84279999 +1 -9.15091331 +1 -27.05277718 +1 H(ATOM 2254 1HE2 GLN A 142) 0.32691465 +1 -8.63300576 +1 -25.53740659 +1 H(ATOM 2255 2HE2 GLN A 142) -0.30383096 +1 -10.16460743 +1 -25.16982810 +1 N(ATOM 2256 N ASP A 143) 7.57300000 +0 -9.02700000 +0 -25.30500000 +0 C(ATOM 2257 CA ASP A 143) 8.78000000 +0 -9.73100000 +0 -24.91100000 +0 C(ATOM 2258 C ASP A 143) 9.91800000 +0 -8.85000000 +0 -24.42500000 +0 O(ATOM 2259 O ASP A 143) 10.83600000 +0 -9.32900000 +0 -23.71200000 +0 C(ATOM 2260 CB ASP A 143) 9.28000000 +0 -10.69200000 +0 -26.02200000 +0 C(ATOM 2261 CG ASP A 143) 8.17600000 +0 -11.63200000 +0 -26.56400000 +0 O(ATOM 2262 OD1 ASP A 143) 7.32600000 +0 -12.11800000 +0 -25.79700000 +0 O(ATOM 2263 OD2 ASP A 143) 8.15600000 +0 -11.83600000 +0 -27.80600000 +0 H(ATOM 2264 H ASP A 143) 7.59494210 +1 -8.56850762 +1 -26.22061447 +1 H(ATOM 2265 HA ASP A 143) 8.51152413 +1 -10.40137583 +1 -24.02013554 +1 H(ATOM 2266 1HB ASP A 143) 10.11745734 +1 -11.30924532 +1 -25.64621895 +1 H(ATOM 2267 2HB ASP A 143) 9.67739527 +1 -10.11127120 +1 -26.87975911 +1 N(ATOM 2268 N THR A 144) 9.90200000 +0 -7.56800000 +0 -24.77400000 +0 C(ATOM 2269 CA THR A 144) 11.12900000 +0 -6.76600000 +0 -24.64600000 +0 C(ATOM 2270 C THR A 144) 10.90900000 +0 -5.68300000 +0 -23.66600000 +0 O(ATOM 2271 O THR A 144) 10.04300000 +0 -4.82600000 +0 -23.86700000 +0 C(ATOM 2272 CB THR A 144) 11.52800000 +0 -6.11400000 +0 -25.99400000 +0 O(ATOM 2273 OG1 THR A 144) 11.59800000 +0 -7.14000000 +0 -26.99800000 +0 C(ATOM 2274 CG2 THR A 144) 12.88500000 +0 -5.36900000 +0 -25.86400000 +0 H(ATOM 2275 H THR A 144) 9.14342358 +1 -7.12356262 +1 -25.28491013 +1 H(ATOM 2276 HA THR A 144) 11.97736836 +1 -7.46357268 +1 -24.34666495 +1 H(ATOM 2277 HB THR A 144) 10.73828188 +1 -5.39430551 +1 -26.32615101 +1 H(ATOM 2278 HG1 THR A 144) 10.68571651 +1 -7.33620459 +1 -27.31804554 +1 H(ATOM 2279 1HG2 THR A 144) 13.18155812 +1 -4.95379737 +1 -26.83547813 +1 H(ATOM 2280 2HG2 THR A 144) 12.80561645 +1 -4.53828919 +1 -25.15537362 +1 H(ATOM 2281 3HG2 THR A 144) 13.68975770 +1 -6.03741552 +1 -25.53808000 +1 N(ATOM 2282 N ILE A 145) 11.70400000 +0 -5.70800000 +0 -22.59000000 +0 C(ATOM 2283 CA ILE A 145) 11.67700000 +0 -4.65000000 +0 -21.61700000 +0 C(ATOM 2284 C ILE A 145) 12.70900000 +0 -3.63900000 +0 -22.03100000 +0 O(ATOM 2285 O ILE A 145) 13.90700000 +0 -3.92900000 +0 -22.15200000 +0 C(ATOM 2286 CB ILE A 145) 11.93000000 +0 -5.17600000 +0 -20.20900000 +0 C(ATOM 2287 CG1 ILE A 145) 10.89600000 +0 -6.19000000 +0 -19.78500000 +0 C(ATOM 2288 CG2 ILE A 145) 12.13000000 +0 -4.02600000 +0 -19.14900000 +0 C(ATOM 2289 CD1 ILE A 145) 11.38500000 +0 -6.98600000 +0 -18.53700000 +0 H(ATOM 2290 H ILE A 145) 12.43367711 +1 -6.42881315 +1 -22.44281703 +1 H(ATOM 2291 HA ILE A 145) 10.63540632 +1 -4.17425141 +1 -21.61496514 +1 H(ATOM 2292 HB ILE A 145) 12.93203891 +1 -5.70580159 +1 -20.23580461 +1 H(ATOM 2293 1HG1 ILE A 145) 9.92982320 +1 -5.70013061 +1 -19.55408003 +1 H(ATOM 2294 2HG1 ILE A 145) 10.67228698 +1 -6.90488660 +1 -20.59962708 +1 H(ATOM 2295 1HG2 ILE A 145) 12.98017074 +1 -3.39406887 +1 -19.42032646 +1 H(ATOM 2296 2HG2 ILE A 145) 11.24382629 +1 -3.38713746 +1 -19.08412507 +1 H(ATOM 2297 3HG2 ILE A 145) 12.33045431 +1 -4.45009830 +1 -18.16349256 +1 H(ATOM 2298 1HD1 ILE A 145) 10.62225837 +1 -7.69879868 +1 -18.21689345 +1 H(ATOM 2299 2HD1 ILE A 145) 12.30129365 +1 -7.54119384 +1 -18.77067541 +1 H(ATOM 2300 3HD1 ILE A 145) 11.60031054 +1 -6.31879651 +1 -17.69826860 +1 N(ATOM 2301 N LEU A 146) 12.25100000 +0 -2.43500000 +0 -22.26100000 +0 C(ATOM 2302 CA LEU A 146) 13.14000000 +0 -1.35100000 +0 -22.64600000 +0 C(ATOM 2303 C LEU A 146) 13.68600000 +0 -0.57300000 +0 -21.45500000 +0 O(ATOM 2304 O LEU A 146) 14.86800000 +0 -0.20600000 +0 -21.41800000 +0 C(ATOM 2305 CB LEU A 146) 12.35600000 +0 -0.38800000 +0 -23.55800000 +0 C(ATOM 2306 CG LEU A 146) 11.84500000 +0 -0.94000000 +0 -24.90600000 +0 C(ATOM 2307 CD1 LEU A 146) 11.14100000 +0 0.21600000 +0 -25.62000000 +0 C(ATOM 2308 CD2 LEU A 146) 12.93400000 +0 -1.48800000 +0 -25.79100000 +0 H(ATOM 2309 H LEU A 146) 11.24509148 +1 -2.21088346 +1 -22.21086016 +1 H(ATOM 2310 HA LEU A 146) 14.02854857 +1 -1.77354001 +1 -23.21181570 +1 H(ATOM 2311 1HB LEU A 146) 11.48550115 +1 0.02204997 +1 -23.00234828 +1 H(ATOM 2312 2HB LEU A 146) 13.00412532 +1 0.49516707 +1 -23.76369680 +1 H(ATOM 2313 HG LEU A 146) 11.09773404 +1 -1.74944708 +1 -24.69896093 +1 H(ATOM 2314 1HD1 LEU A 146) 10.22726916 +1 0.51799814 +1 -25.09879921 +1 H(ATOM 2315 2HD1 LEU A 146) 11.78734251 +1 1.09833772 +1 -25.71175470 +1 H(ATOM 2316 3HD1 LEU A 146) 10.85204602 +1 -0.05458375 +1 -26.64227038 +1 H(ATOM 2317 1HD2 LEU A 146) 13.47027772 +1 -2.32331060 +1 -25.32014338 +1 H(ATOM 2318 2HD2 LEU A 146) 12.53359738 +1 -1.86018174 +1 -26.74284387 +1 H(ATOM 2319 3HD2 LEU A 146) 13.68333002 +1 -0.72466976 +1 -26.04239950 +1 N(ATOM 2320 N ASP A 147) 12.79800000 +0 -0.18700000 +0 -20.56100000 +0 C(ATOM 2321 CA ASP A 147) 13.11500000 +0 0.50100000 +0 -19.29000000 +0 C(ATOM 2322 C ASP A 147) 12.49200000 +0 -0.25400000 +0 -18.13100000 +0 O(ATOM 2323 O ASP A 147) 11.38500000 +0 -0.82100000 +0 -18.24400000 +0 C(ATOM 2324 CB ASP A 147) 12.55500000 +0 1.95700000 +0 -19.16700000 +0 C(ATOM 2325 CG ASP A 147) 12.90200000 +0 2.87800000 +0 -20.30400000 +0 O(ATOM 2326 OD1 ASP A 147) 13.96600000 +0 2.74300000 +0 -20.91500000 +0 O(ATOM 2327 OD2 ASP A 147) 12.07500000 +0 3.86700000 +0 -20.47600000 +0 H(ATOM 2328 H ASP A 147) 11.83425139 +1 -0.55309973 +1 -20.59110496 +1 H(ATOM 2329 HA ASP A 147) 14.24298776 +1 0.56311391 +1 -19.20816887 +1 H(ATOM 2330 1HB ASP A 147) 12.94932077 +1 2.41590829 +1 -18.23055927 +1 H(ATOM 2331 2HB ASP A 147) 11.45210537 +1 1.92976839 +1 -19.04712754 +1 N(ATOM 2332 N TYR A 148) 13.10300000 +0 -0.18200000 +0 -16.94100000 +0 C(ATOM 2333 CA TYR A 148) 12.32900000 +0 -0.58000000 +0 -15.73600000 +0 C(ATOM 2334 C TYR A 148) 12.86000000 +0 0.07500000 +0 -14.51200000 +0 O(ATOM 2335 O TYR A 148) 14.03100000 +0 0.43700000 +0 -14.45000000 +0 C(ATOM 2336 CB TYR A 148) 12.25500000 +0 -2.09100000 +0 -15.52200000 +0 C(ATOM 2337 CG TYR A 148) 13.50000000 +0 -2.70700000 +0 -14.90700000 +0 C(ATOM 2338 CD1 TYR A 148) 13.62100000 +0 -2.78700000 +0 -13.54800000 +0 C(ATOM 2339 CD2 TYR A 148) 14.50100000 +0 -3.22900000 +0 -15.69500000 +0 C(ATOM 2340 CE1 TYR A 148) 14.75800000 +0 -3.32400000 +0 -12.96500000 +0 C(ATOM 2341 CE2 TYR A 148) 15.64900000 +0 -3.78000000 +0 -15.13700000 +0 C(ATOM 2342 CZ TYR A 148) 15.77300000 +0 -3.78000000 +0 -13.76600000 +0 O(ATOM 2343 OH TYR A 148) 16.84600000 +0 -4.33700000 +0 -13.10500000 +0 H(ATOM 2344 H TYR A 148) 14.02901314 +1 0.20950536 +1 -16.77695689 +1 H(ATOM 2345 HA TYR A 148) 11.25253286 +1 -0.23446065 +1 -15.92717815 +1 H(ATOM 2346 1HB TYR A 148) 12.02946195 +1 -2.58106276 +1 -16.49689886 +1 H(ATOM 2347 2HB TYR A 148) 11.36927535 +1 -2.32177590 +1 -14.88172360 +1 H(ATOM 2348 HD1 TYR A 148) 12.81501927 +1 -2.42690084 +1 -12.89937377 +1 H(ATOM 2349 HD2 TYR A 148) 14.40602563 +1 -3.20930985 +1 -16.78719636 +1 H(ATOM 2350 HE1 TYR A 148) 14.83889540 +1 -3.36917243 +1 -11.87597277 +1 H(ATOM 2351 HE2 TYR A 148) 16.43371555 +1 -4.19236397 +1 -15.77241644 +1 H(ATOM 2352 HH TYR A 148) 16.89029873 +1 -4.05727515 +1 -12.14998329 +1 N(ATOM 2353 N THR A 149) 11.99500000 +0 0.25100000 +0 -13.53800000 +0 C(ATOM 2354 CA THR A 149) 12.44500000 +0 0.52900000 +0 -12.18000000 +0 C(ATOM 2355 C THR A 149) 11.79700000 +0 -0.47300000 +0 -11.19800000 +0 O(ATOM 2356 O THR A 149) 10.70600000 +0 -0.99300000 +0 -11.42500000 +0 C(ATOM 2357 CB THR A 149) 12.11800000 +0 1.92000000 +0 -11.67400000 +0 O(ATOM 2358 OG1 THR A 149) 10.68300000 +0 2.07300000 +0 -11.59000000 +0 C(ATOM 2359 CG2 THR A 149) 12.72700000 +0 3.02000000 +0 -12.61300000 +0 H(ATOM 2360 H THR A 149) 10.99407420 +1 -0.00812607 +1 -13.60748499 +1 H(ATOM 2361 HA THR A 149) 13.57888964 +1 0.41014489 +1 -12.14552687 +1 H(ATOM 2362 HB THR A 149) 12.51982003 +1 2.06958620 +1 -10.64212495 +1 H(ATOM 2363 HG1 THR A 149) 10.38117656 +1 1.81371579 +1 -10.69033425 +1 H(ATOM 2364 1HG2 THR A 149) 12.53041629 +1 4.01609625 +1 -12.20555797 +1 H(ATOM 2365 2HG2 THR A 149) 13.80929396 +1 2.88285165 +1 -12.69754947 +1 H(ATOM 2366 3HG2 THR A 149) 12.28738753 +1 2.96622207 +1 -13.61419511 +1 N(ATOM 2367 N LEU A 150) 12.52000000 +0 -0.74000000 +0 -10.11700000 +0 C(ATOM 2368 CA LEU A 150) 12.04400000 +0 -1.63500000 +0 -9.09900000 +0 C(ATOM 2369 C LEU A 150) 12.58800000 +0 -1.18200000 +0 -7.74700000 +0 O(ATOM 2370 O LEU A 150) 13.80800000 +0 -1.04600000 +0 -7.61100000 +0 C(ATOM 2371 CB LEU A 150) 12.51600000 +0 -3.06000000 +0 -9.39500000 +0 C(ATOM 2372 CG LEU A 150) 12.00200000 +0 -4.15100000 +0 -8.44800000 +0 C(ATOM 2373 CD1 LEU A 150) 10.41900000 +0 -4.19900000 +0 -8.40700000 +0 C(ATOM 2374 CD2 LEU A 150) 12.55800000 +0 -5.55000000 +0 -8.86000000 +0 H(ATOM 2375 H LEU A 150) 13.44414489 +1 -0.31683643 +1 -9.94294216 +1 H(ATOM 2376 HA LEU A 150) 10.90773550 +1 -1.62671460 +1 -9.08738479 +1 H(ATOM 2377 1HB LEU A 150) 12.21414486 +1 -3.31640880 +1 -10.43596629 +1 H(ATOM 2378 2HB LEU A 150) 13.63016588 +1 -3.08497205 +1 -9.39527367 +1 H(ATOM 2379 HG LEU A 150) 12.35327003 +1 -3.93502930 +1 -7.41366627 +1 H(ATOM 2380 1HD1 LEU A 150) 10.01863370 +1 -3.27902731 +1 -7.97473237 +1 H(ATOM 2381 2HD1 LEU A 150) 10.01600621 +1 -4.31850920 +1 -9.41329232 +1 H(ATOM 2382 3HD1 LEU A 150) 10.08708089 +1 -5.03389282 +1 -7.78666014 +1 H(ATOM 2383 1HD2 LEU A 150) 13.65327514 +1 -5.53725621 +1 -8.88464113 +1 H(ATOM 2384 2HD2 LEU A 150) 12.25520740 +1 -6.31449970 +1 -8.13761582 +1 H(ATOM 2385 3HD2 LEU A 150) 12.19308874 +1 -5.83876424 +1 -9.84764051 +1 N(ATOM 2386 N ARG A 151) 11.71600000 +0 -1.01900000 +0 -6.75900000 +0 C(ATOM 2387 CA ARG A 151) 12.22600000 +0 -0.77100000 +0 -5.37000000 +0 C(ATOM 2388 C ARG A 151) 11.35100000 +0 -1.44900000 +0 -4.36800000 +0 O(ATOM 2389 O ARG A 151) 10.19000000 +0 -1.77000000 +0 -4.66000000 +0 C(ATOM 2390 CB ARG A 151) 12.29100000 +0 0.72900000 +0 -5.09700000 +0 C(ATOM 2391 CG ARG A 151) 10.95400000 +0 1.48000000 +0 -5.08900000 +0 C(ATOM 2392 CD ARG A 151) 10.90000000 +0 2.97200000 +0 -4.55000000 +0 N(ATOM 2393 NE ARG A 151) 9.85400000 +0 3.64100000 +0 -5.38200000 +0 C(ATOM 2394 CZ ARG A 151) 8.67100000 +0 4.15500000 +0 -4.98700000 +0 N(ATOM 2395 NH1 ARG A 151) 8.36100000 +0 4.21400000 +0 -3.69800000 +0 N(ATOM 2396 NH2 ARG A 151) 7.79500000 +0 4.67500000 +0 -5.90100000 +0 H(ATOM 2397 H ARG A 151) 10.69909787 +1 -1.10590292 +1 -6.82702656 +1 H(ATOM 2398 HA ARG A 151) 13.28515546 +1 -1.17826046 +1 -5.31924066 +1 H(ATOM 2399 1HB ARG A 151) 12.81065544 +1 0.90562214 +1 -4.12596965 +1 H(ATOM 2400 2HB ARG A 151) 12.96585969 +1 1.20226727 +1 -5.84985007 +1 H(ATOM 2401 1HG ARG A 151) 10.55511680 +1 1.46474416 +1 -6.12302148 +1 H(ATOM 2402 2HG ARG A 151) 10.22286908 +1 0.90183767 +1 -4.48476367 +1 H(ATOM 2403 1HD ARG A 151) 10.67787911 +1 2.99693958 +1 -3.47170256 +1 H(ATOM 2404 2HD ARG A 151) 11.86630873 +1 3.49268374 +1 -4.71842807 +1 H(ATOM 2405 HE ARG A 151) 10.02072432 +1 3.56447621 +1 -6.38654797 +1 H(ATOM 2406 1HH1 ARG A 151) 7.64686529 +1 4.85145174 +1 -3.35463787 +1 H(ATOM 2407 2HH1 ARG A 151) 8.97933666 +1 3.89267685 +1 -2.96519027 +1 H(ATOM 2408 HH2 ARG A 151) 6.98860226 +1 5.14600231 +1 -5.51366453 +1 N(ATOM 2409 N GLU A 152) 11.89500000 +0 -1.65300000 +0 -3.17100000 +0 C(ATOM 2410 CA GLU A 152) 11.09100000 +0 -2.08200000 +0 -2.04000000 +0 C(ATOM 2411 C GLU A 152) 10.44900000 +0 -0.84900000 +0 -1.46700000 +0 O(ATOM 2412 O GLU A 152) 11.04000000 +0 0.24600000 +0 -1.48900000 +0 C(ATOM 2413 CB GLU A 152) 11.95800000 +0 -2.80200000 +0 -0.99400000 +0 C(ATOM 2414 CG GLU A 152) 12.60400000 +0 -4.04500000 +0 -1.58500000 +0 C(ATOM 2415 CD GLU A 152) 13.43400000 +0 -4.88900000 +0 -0.58100000 +0 O(ATOM 2416 OE1 GLU A 152) 13.48400000 +0 -4.58200000 +0 0.64600000 +0 O(ATOM 2417 OE2 GLU A 152) 14.04500000 +0 -5.88600000 +0 -1.03900000 +0 H(ATOM 2418 H GLU A 152) 12.79933689 +1 -1.22588106 +1 -2.91762878 +1 H(ATOM 2419 HA GLU A 152) 10.29747939 +1 -2.81243172 +1 -2.41000510 +1 H(ATOM 2420 1HB GLU A 152) 11.32849260 +1 -3.06600264 +1 -0.11423438 +1 H(ATOM 2421 2HB GLU A 152) 12.73257089 +1 -2.11356874 +1 -0.58638881 +1 H(ATOM 2422 1HG GLU A 152) 11.84057635 +1 -4.72475418 +1 -2.02477962 +1 H(ATOM 2423 2HG GLU A 152) 13.29804872 +1 -3.77750518 +1 -2.41460007 +1 H(ATOM 2424 HE1 GLU A 152) 14.07186298 +1 -5.14551349 +1 1.24290355 +1 N(ATOM 2425 N VAL A 153) 9.25000000 +0 -1.03400000 +0 -0.89700000 +0 C(ATOM 2426 CA VAL A 153) 8.48100000 +0 0.03100000 +0 -0.27400000 +0 C(ATOM 2427 C VAL A 153) 7.90600000 +0 -0.46000000 +0 1.08000000 +0 O(ATOM 2428 O VAL A 153) 7.82400000 +0 -1.66300000 +0 1.33100000 +0 C(ATOM 2429 CB VAL A 153) 7.35100000 +0 0.54200000 +0 -1.15000000 +0 C(ATOM 2430 CG1 VAL A 153) 7.90700000 +0 1.09700000 +0 -2.50000000 +0 C(ATOM 2431 CG2 VAL A 153) 6.26900000 +0 -0.53100000 +0 -1.39900000 +0 H(ATOM 2432 H VAL A 153) 8.76211120 +1 -1.94178221 +1 -0.95053863 +1 H(ATOM 2433 HA VAL A 153) 9.19189485 +1 0.89420290 +1 -0.06046874 +1 H(ATOM 2434 HB VAL A 153) 6.85738245 +1 1.40347303 +1 -0.62552929 +1 H(ATOM 2435 1HG1 VAL A 153) 8.81281934 +1 1.68846397 +1 -2.33108572 +1 H(ATOM 2436 2HG1 VAL A 153) 8.17374173 +1 0.28159643 +1 -3.17855591 +1 H(ATOM 2437 3HG1 VAL A 153) 7.16342585 +1 1.72827649 +1 -2.99080832 +1 H(ATOM 2438 1HG2 VAL A 153) 5.90696568 +1 -0.96479298 +1 -0.46021436 +1 H(ATOM 2439 2HG2 VAL A 153) 5.40743287 +1 -0.08683002 +1 -1.91208017 +1 H(ATOM 2440 3HG2 VAL A 153) 6.64545491 +1 -1.34800521 +1 -2.02212944 +1 N(ATOM 2441 N ASP A 154) 7.53000000 +0 0.47400000 +0 1.93600000 +0 C(ATOM 2442 CA ASP A 154) 6.87000000 +0 0.12300000 +0 3.20400000 +0 C(ATOM 2443 C ASP A 154) 5.35100000 +0 0.15500000 +0 3.14000000 +0 O(ATOM 2444 O ASP A 154) 4.68500000 +0 -0.64400000 +0 3.83300000 +0 C(ATOM 2445 CB ASP A 154) 7.36300000 +0 1.03800000 +0 4.30400000 +0 C(ATOM 2446 CG ASP A 154) 8.71400000 +0 0.63700000 +0 4.78100000 +0 O(ATOM 2447 OD1 ASP A 154) 8.89400000 +0 -0.56900000 +0 5.12000000 +0 O(ATOM 2448 OD2 ASP A 154) 9.58700000 +0 1.52000000 +0 4.82600000 +0 H(ATOM 2449 H ASP A 154) 7.59305905 +1 1.48158018 +1 1.73015845 +1 H(ATOM 2450 HA ASP A 154) 7.14280887 +1 -0.96302424 +1 3.44980831 +1 H(ATOM 2451 1HB ASP A 154) 6.65325755 +1 1.04222719 +1 5.17568026 +1 H(ATOM 2452 2HB ASP A 154) 7.38188605 +1 2.11142207 +1 3.98255547 +1 H(ATOM 2453 HD1 ASP A 154) 9.82503150 +1 -0.83412225 +1 5.43026881 +1 N(ATOM 2454 N THR A 155) 4.83300000 +0 1.07100000 +0 2.32500000 +0 C(ATOM 2455 CA THR A 155) 3.40900000 +0 1.17400000 +0 2.03000000 +0 C(ATOM 2456 C THR A 155) 3.27100000 +0 0.95900000 +0 0.56100000 +0 O(ATOM 2457 O THR A 155) 3.82900000 +0 1.72400000 +0 -0.17600000 +0 C(ATOM 2458 CB THR A 155) 2.82600000 +0 2.62100000 +0 2.31700000 +0 O(ATOM 2459 OG1 THR A 155) 2.83000000 +0 2.86500000 +0 3.71200000 +0 C(ATOM 2460 CG2 THR A 155) 1.36900000 +0 2.75700000 +0 1.71100000 +0 H(ATOM 2461 H THR A 155) 5.42322824 +1 1.72239454 +1 1.79183108 +1 H(ATOM 2462 HA THR A 155) 2.83494529 +1 0.43816505 +1 2.66533238 +1 H(ATOM 2463 HB THR A 155) 3.48633755 +1 3.38838043 +1 1.85185279 +1 H(ATOM 2464 HG1 THR A 155) 3.72957457 +1 2.68809602 +1 4.07104908 +1 H(ATOM 2465 1HG2 THR A 155) 0.95042153 +1 3.73087338 +1 1.98295223 +1 H(ATOM 2466 2HG2 THR A 155) 1.40444874 +1 2.68495899 +1 0.61846853 +1 H(ATOM 2467 3HG2 THR A 155) 0.70318446 +1 1.98115295 +1 2.09773061 +1 N(ATOM 2468 N VAL A 156) 2.52500000 +0 -0.07800000 +0 0.14500000 +0 C(ATOM 2469 CA VAL A 156) 2.25200000 +0 -0.37600000 +0 -1.26100000 +0 C(ATOM 2470 C VAL A 156) 1.28100000 +0 0.67900000 +0 -1.84600000 +0 O(ATOM 2471 O VAL A 156) 1.43200000 +0 1.13000000 +0 -3.00800000 +0 C(ATOM 2472 CB VAL A 156) 1.57400000 +0 -1.78100000 +0 -1.42400000 +0 C(ATOM 2473 CG1 VAL A 156) 1.13200000 +0 -1.97500000 +0 -2.87800000 +0 C(ATOM 2474 CG2 VAL A 156) 2.51200000 +0 -2.89900000 +0 -0.91900000 +0 O(ATOM 2475 OXT VAL A 156) 0.33600000 +0 1.09300000 +0 -1.11300000 +0 H(ATOM 2476 H VAL A 156) 2.02533018 +1 -0.66565544 +1 0.82128934 +1 H(ATOM 2477 HA VAL A 156) 3.21415709 +1 -0.35336467 +1 -1.83260891 +1 H(ATOM 2478 HB VAL A 156) 0.65864855 +1 -1.79032591 +1 -0.77755993 +1 H(ATOM 2479 1HG1 VAL A 156) 0.36833599 +1 -1.24749234 +1 -3.17854749 +1 H(ATOM 2480 2HG1 VAL A 156) 1.97091188 +1 -1.87412050 +1 -3.57516446 +1 H(ATOM 2481 3HG1 VAL A 156) 0.70485907 +1 -2.97524958 +1 -3.02809537 +1 H(ATOM 2482 1HG2 VAL A 156) 2.88408125 +1 -2.69259311 +1 0.08992774 +1 H(ATOM 2483 2HG2 VAL A 156) 1.97979825 +1 -3.85756906 +1 -0.86520672 +1 H(ATOM 2484 3HG2 VAL A 156) 3.37003512 +1 -3.03333267 +1 -1.58537353 +1 O(HETATM 2486 OP3 8OG A1157) -6.11200000 +0 -11.46500000 +0 -18.09500000 +0 P(HETATM 2487 P 8OG A1157) -6.54900000 +0 -10.03300000 +0 -18.25500000 +0 O(HETATM 2488 O5' 8OG A1157) -5.68800000 +0 -9.01800000 +0 -17.38000000 +0 C(HETATM 2489 C5' 8OG A1157) -4.31900000 +0 -9.00900000 +0 -17.29000000 +0 C(HETATM 2490 C4' 8OG A1157) -3.66900000 +0 -9.70300000 +0 -16.08300000 +0 O(HETATM 2491 O4' 8OG A1157) -2.22000000 +0 -9.84400000 +0 -16.23200000 +0 C(HETATM 2492 C1' 8OG A1157) -1.62300000 +0 -9.08100000 +0 -15.18300000 +0 C(HETATM 2493 C2' 8OG A1157) -2.68500000 +0 -8.24100000 +0 -14.60000000 +0 N(HETATM 2494 N9 8OG A1157) -0.47600000 +0 -8.61300000 +0 -15.87100000 +0 C(HETATM 2495 C4 8OG A1157) 0.78700000 +0 -9.16300000 +0 -15.55900000 +0 C(HETATM 2496 C5 8OG A1157) 1.79300000 +0 -8.48000000 +0 -16.43700000 +0 N(HETATM 2497 N7 8OG A1157) 1.05000000 +0 -7.54600000 +0 -17.23500000 +0 C(HETATM 2498 C8 8OG A1157) -0.23700000 +0 -7.70800000 +0 -16.82800000 +0 O(HETATM 2499 O8 8OG A1157) -1.18400000 +0 -7.06500000 +0 -17.29500000 +0 C(HETATM 2500 C6 8OG A1157) 3.16500000 +0 -8.83300000 +0 -16.34200000 +0 O(HETATM 2501 O6 8OG A1157) 4.02600000 +0 -8.32100000 +0 -17.02100000 +0 N(HETATM 2502 N1 8OG A1157) 3.49000000 +0 -9.80300000 +0 -15.42800000 +0 C(HETATM 2503 C2 8OG A1157) 2.52300000 +0 -10.47600000 +0 -14.56800000 +0 N(HETATM 2504 N2 8OG A1157) 2.95100000 +0 -11.43600000 +0 -13.68300000 +0 N(HETATM 2505 N3 8OG A1157) 1.12000000 +0 -10.15200000 +0 -14.62700000 +0 C(HETATM 2506 C3' 8OG A1157) -3.86600000 +0 -9.08800000 +0 -14.74900000 +0 O(HETATM 2507 O3' 8OG A1157) -3.91500000 +0 -10.11800000 +0 -13.79400000 +0 O(HETATM 2508 OP2 8OG A1157) -6.29100000 +0 -9.53500000 +0 -19.63200000 +0 O(HETATM 2509 OP1 8OG A1157) -8.02900000 +0 -9.90300000 +0 -17.77800000 +0 H(HETATM 2510 1H5' 8OG A1157) -4.13273909 +1 -7.89692828 +1 -17.21829252 +1 H(HETATM 2511 2H5' 8OG A1157) -3.75862652 +1 -9.33594442 +1 -18.19978008 +1 H(HETATM 2512 H1' 8OG A1157) -1.27832105 +1 -9.85245392 +1 -14.41111071 +1 H(HETATM 2513 1H2' 8OG A1157) -2.78950762 +1 -7.26292764 +1 -15.14098539 +1 H(HETATM 2514 2H2' 8OG A1157) -2.47564418 +1 -7.94559098 +1 -13.54710879 +1 H(HETATM 2515 H7 8OG A1157) 1.40490916 +1 -7.04620548 +1 -18.05384933 +1 H(HETATM 2516 1H2 8OG A1157) 3.73180594 +1 -12.02042862 +1 -13.95405920 +1 H(HETATM 2517 2H2 8OG A1157) 2.17611920 +1 -11.99568722 +1 -13.28553070 +1 H(HETATM 2518 H4' 8OG A1157) -3.99324006 +1 -10.78332286 +1 -16.07551641 +1 H(HETATM 2519 1H3' 8OG A1157) -4.13265388 +1 -9.73789225 +1 -12.91333621 +1 H(HETATM 2520 2H3' 8OG A1157) -4.84291839 +1 -8.53558066 +1 -14.66863124 +1 H(HETATM 2521 HP2 8OG A1157) -6.67795441 +1 -8.56716911 +1 -19.77975337 +1 S(HETATM 2522 S SO4 A1158) -2.77400000 +0 -5.55300000 +0 4.01900000 +0 O(HETATM 2523 O1 SO4 A1158) -1.92000000 +0 -6.72600000 +0 4.16100000 +0 O(HETATM 2524 O4 SO4 A1158) -2.04300000 +0 -4.30500000 +0 4.35100000 +0 O(HETATM 2525 O3 SO4 A1158) -3.81800000 +0 -5.93000000 +0 4.96200000 +0 O(HETATM 2526 O2 SO4 A1158) -3.23100000 +0 -5.36200000 +0 2.66400000 +0 H(HETATM 2527 H1 SO4 A1158) -0.93470801 +1 -6.81763274 +1 4.17514503 +1 H(HETATM 2528 H4 SO4 A1158) -1.81271929 +1 -3.92428094 +1 5.24585287 +1 S(HETATM 2529 S SO4 A1159) -3.37600000 +0 -15.00200000 +0 4.98300000 +0 O(HETATM 2530 O1 SO4 A1159) -1.96500000 +0 -14.79300000 +0 4.60400000 +0 O(HETATM 2531 O4 SO4 A1159) -3.80700000 +0 -13.96700000 +0 5.96800000 +0 O(HETATM 2532 O3 SO4 A1159) -3.40000000 +0 -16.38400000 +0 5.50700000 +0 O(HETATM 2533 O2 SO4 A1159) -4.22100000 +0 -14.78700000 +0 3.80200000 +0 H(HETATM 2534 H1 SO4 A1159) -1.47156248 +1 -14.22438006 +1 3.91115323 +1 H(HETATM 2535 H4 SO4 A1159) -3.75152363 +1 -14.04527453 +1 6.96977981 +1 O(HETATM 2536 O HOH A2001) -2.13300000 +0 7.58100000 +0 -20.05200000 +0 H(HETATM 2537 1H HOH A2001) -2.04730135 +1 6.98700093 +1 -20.79726643 +1 H(HETATM 2538 2H HOH A2001) -2.28325513 +1 7.00262992 +1 -19.28495565 +1 O(HETATM 2539 O HOH A2002) -9.86800000 +0 -1.30700000 +0 -14.83600000 +0 H(HETATM 2540 1H HOH A2002) -9.00417578 +1 -1.60109947 +1 -14.54261474 +1 H(HETATM 2541 2H HOH A2002) -10.53059711 +1 -1.68098785 +1 -14.23149576 +1 O(HETATM 2542 O HOH A2003) -5.23900000 +0 -0.87800000 +0 -20.16800000 +0 H(HETATM 2543 1H HOH A2003) -4.53224388 +1 -0.85394445 +1 -20.83751822 +1 H(HETATM 2544 2H HOH A2003) -5.14066652 +1 -0.05375454 +1 -19.69435134 +1 O(HETATM 2545 O HOH A2004) -9.94300000 +0 -7.28900000 +0 -10.98600000 +0 H(HETATM 2546 1H HOH A2004) -9.15621866 +1 -7.18069485 +1 -11.52338108 +1 H(HETATM 2547 2H HOH A2004) -9.64452914 +1 -7.78396382 +1 -10.22311061 +1 O(HETATM 2548 O HOH A2005) 0.58500000 +0 -30.13300000 +0 -6.72100000 +0 H(HETATM 2549 1H HOH A2005) 1.09273799 +1 -29.72926362 +1 -5.98989787 +1 H(HETATM 2550 2H HOH A2005) -0.32211265 +1 -29.92540633 +1 -6.50355842 +1 O(HETATM 2551 O HOH A2006) -2.04800000 +0 -17.51400000 +0 -7.48800000 +0 H(HETATM 2552 1H HOH A2006) -1.43445622 +1 -18.14284527 +1 -7.89059972 +1 H(HETATM 2553 2H HOH A2006) -2.16460794 +1 -16.76442102 +1 -8.05910489 +1 O(HETATM 2554 O HOH A2007) -1.55200000 +0 -20.19100000 +0 -25.65800000 +0 H(HETATM 2555 1H HOH A2007) -1.01945263 +1 -20.97159033 +1 -25.45265661 +1 H(HETATM 2556 2H HOH A2007) -1.37779627 +1 -19.57759810 +1 -24.94251085 +1 O(HETATM 2557 O HOH A2008) 2.95000000 +0 -18.59500000 +0 2.79800000 +0 H(HETATM 2558 1H HOH A2008) 2.49594960 +1 -18.48813890 +1 1.95137095 +1 H(HETATM 2559 2H HOH A2008) 2.24676090 +1 -18.66117378 +1 3.44516260 +1 O(HETATM 2560 O HOH A2009) 6.47900000 +0 -18.81800000 +0 0.85400000 +0 H(HETATM 2561 1H HOH A2009) 5.66346538 +1 -19.12586186 +1 0.43463770 +1 H(HETATM 2562 2H HOH A2009) 6.89762941 +1 -19.64402309 +1 1.14039644 +1 O(HETATM 2563 O HOH A2010) 0.58400000 +0 -25.81600000 +0 1.48600000 +0 H(HETATM 2564 1H HOH A2010) 0.48086410 +1 -26.59393999 +1 0.91960751 +1 H(HETATM 2565 2H HOH A2010) 0.09471747 +1 -25.14548072 +1 0.96897394 +1 O(HETATM 2566 O HOH A2011) 3.31400000 +0 -25.57900000 +0 1.12100000 +0 H(HETATM 2567 1H HOH A2011) 3.63342792 +1 -26.25641203 +1 1.72061121 +1 H(HETATM 2568 2H HOH A2011) 2.34782675 +1 -25.59918336 +1 1.20431894 +1 O(HETATM 2569 O HOH A2012) 9.13800000 +0 -25.08200000 +0 -2.38200000 +0 H(HETATM 2570 1H HOH A2012) 8.17770114 +1 -25.11651654 +1 -2.21506578 +1 H(HETATM 2571 2H HOH A2012) 9.38953076 +1 -26.00514729 +1 -2.46808986 +1 O(HETATM 2572 O HOH A2013) 1.67000000 +0 -29.12600000 +0 -4.64800000 +0 H(HETATM 2573 1H HOH A2013) 2.46642976 +1 -28.62720159 +1 -4.92811213 +1 H(HETATM 2574 2H HOH A2013) 2.01198922 +1 -29.85856191 +1 -4.11178100 +1 O(HETATM 2575 O HOH A2014) -2.65000000 +0 -30.19700000 +0 -3.78300000 +0 H(HETATM 2576 1H HOH A2014) -2.27668645 +1 -30.96101354 +1 -3.32540083 +1 H(HETATM 2577 2H HOH A2014) -3.41368447 +1 -29.94874284 +1 -3.24985204 +1 O(HETATM 2578 O HOH A2015) -6.53300000 +0 -2.52200000 +0 -2.37300000 +0 H(HETATM 2579 1H HOH A2015) -5.72417668 +1 -2.59800331 +1 -2.88876210 +1 H(HETATM 2580 2H HOH A2015) -6.45879432 +1 -3.14254600 +1 -1.63599893 +1 O(HETATM 2581 O HOH A2016) -15.42900000 +0 -14.07900000 +0 -1.90100000 +0 H(HETATM 2582 1H HOH A2016) -15.68260801 +1 -13.58808063 +1 -2.69255937 +1 H(HETATM 2583 2H HOH A2016) -15.51490154 +1 -13.43645532 +1 -1.18491538 +1 O(HETATM 2584 O HOH A2017) -2.36100000 +0 -21.00600000 +0 -23.96400000 +0 H(HETATM 2585 1H HOH A2017) -2.42165760 +1 -20.49636009 +1 -23.14607735 +1 H(HETATM 2586 2H HOH A2017) -3.20273824 +1 -20.84936511 +1 -24.40956531 +1 O(HETATM 2587 O HOH A2018) -8.69200000 +0 -13.12800000 +0 -21.10500000 +0 H(HETATM 2588 1H HOH A2018) -8.14357520 +1 -12.33462774 +1 -21.19238405 +1 H(HETATM 2589 2H HOH A2018) -9.07599705 +1 -13.06162051 +1 -20.23718196 +1 O(HETATM 2590 O HOH A2019) -7.42100000 +0 -10.94400000 +0 -21.44500000 +0 H(HETATM 2591 1H HOH A2019) -7.10845046 +1 -10.29645980 +1 -20.79854717 +1 H(HETATM 2592 2H HOH A2019) -8.10770061 +1 -10.48949249 +1 -21.95633889 +1 O(HETATM 2593 O HOH A2020) -10.48600000 +0 -20.81000000 +0 -23.35700000 +0 H(HETATM 2594 1H HOH A2020) -10.35141173 +1 -20.67873597 +1 -22.42413069 +1 H(HETATM 2595 2H HOH A2020) -11.42987622 +1 -21.02143006 +1 -23.50601580 +1 O(HETATM 2596 O HOH A2021) -16.48700000 +0 -16.36600000 +0 -23.10000000 +0 H(HETATM 2597 1H HOH A2021) -16.27439955 +1 -16.78433464 +1 -22.25342345 +1 H(HETATM 2598 2H HOH A2021) -16.01066859 +1 -15.53044573 +1 -23.07896107 +1 O(HETATM 2599 O HOH A2022) 0.97400000 +0 -11.74400000 +0 2.14800000 +0 H(HETATM 2600 1H HOH A2022) 1.87879042 +1 -12.09659973 +1 2.05462270 +1 H(HETATM 2601 2H HOH A2022) 1.03966117 +1 -11.12052269 +1 2.89230866 +1 O(HETATM 2602 O HOH A2023) -7.48100000 +0 -15.17700000 +0 -27.31900000 +0 H(HETATM 2603 1H HOH A2023) -7.23327443 +1 -14.45539641 +1 -27.91514559 +1 H(HETATM 2604 2H HOH A2023) -8.43820740 +1 -15.07851834 +1 -27.21875179 +1 O(HETATM 2605 O HOH A2024) -1.17100000 +0 -11.47000000 +0 -18.54700000 +0 H(HETATM 2606 1H HOH A2024) -1.94409259 +1 -11.57761436 +1 -19.10367446 +1 H(HETATM 2607 2H HOH A2024) -1.30044659 +1 -10.67123766 +1 -18.02166277 +1 O(HETATM 2608 O HOH A2025) -4.03000000 +0 -2.40000000 +0 -3.78200000 +0 H(HETATM 2609 1H HOH A2025) -3.40506736 +1 -3.14790701 +1 -3.87611828 +1 H(HETATM 2610 2H HOH A2025) -3.55957765 +1 -1.78289091 +1 -3.19325738 +1 O(HETATM 2611 O HOH A2026) -0.35900000 +0 -14.82100000 +0 -18.40600000 +0 H(HETATM 2612 1H HOH A2026) -0.32066052 +1 -15.41963348 +1 -19.15065799 +1 H(HETATM 2613 2H HOH A2026) -1.25895089 +1 -14.52390877 +1 -18.31896008 +1 O(HETATM 2614 O HOH A2027) 5.37100000 +0 -18.90500000 +0 -22.40600000 +0 H(HETATM 2615 1H HOH A2027) 5.86368448 +1 -19.69503395 +1 -22.19627976 +1 H(HETATM 2616 2H HOH A2027) 4.45516634 +1 -19.04005514 +1 -22.11262157 +1 O(HETATM 2617 O HOH A2028) 6.41200000 +0 -16.47000000 +0 -22.90100000 +0 H(HETATM 2618 1H HOH A2028) 5.93619196 +1 -17.30543529 +1 -22.73175699 +1 H(HETATM 2619 2H HOH A2028) 7.23537387 +1 -16.58068795 +1 -22.40976012 +1 O(HETATM 2620 O HOH A2029) 3.61000000 +0 -14.05100000 +0 -16.08300000 +0 H(HETATM 2621 1H HOH A2029) 3.98670225 +1 -13.72409092 +1 -15.27251737 +1 H(HETATM 2622 2H HOH A2029) 3.21722839 +1 -14.91297007 +1 -15.92604876 +1 O(HETATM 2623 O HOH A2030) 6.33800000 +0 -24.03900000 +0 -18.31200000 +0 H(HETATM 2624 1H HOH A2030) 6.79987142 +1 -23.49970627 +1 -18.96881616 +1 H(HETATM 2625 2H HOH A2030) 6.96285351 +1 -24.14330868 +1 -17.58944852 +1 O(HETATM 2626 O HOH A2031) -2.66400000 +0 -13.62600000 +0 -17.07500000 +0 H(HETATM 2627 1H HOH A2031) -2.25238133 +1 -12.76257402 +1 -17.10946671 +1 H(HETATM 2628 2H HOH A2031) -3.22349288 +1 -13.59741536 +1 -16.28633393 +1 O(HETATM 2629 O HOH A2032) 3.90400000 +0 -13.28100000 +0 1.60100000 +0 H(HETATM 2630 1H HOH A2032) 4.27991490 +1 -12.74288876 +1 0.86918365 +1 H(HETATM 2631 2H HOH A2032) 3.90590444 +1 -14.17532415 +1 1.29018115 +1 O(HETATM 2632 O HOH A2033) -3.82600000 +0 -12.94700000 +0 -14.60500000 +0 H(HETATM 2633 1H HOH A2033) -3.50255815 +1 -13.54328302 +1 -13.91165329 +1 H(HETATM 2634 2H HOH A2033) -3.75381982 +1 -12.04411901 +1 -14.27455230 +1 O(HETATM 2635 O HOH A2034) -5.84900000 +0 -13.33100000 +0 -16.12700000 +0 H(HETATM 2636 1H HOH A2034) -5.26846764 +1 -13.09982542 +1 -15.38868094 +1 H(HETATM 2637 2H HOH A2034) -5.99077157 +1 -12.53857957 +1 -16.66912629 +1 O(HETATM 2638 O HOH A2035) -9.04400000 +0 -11.72200000 +0 -16.48200000 +0 H(HETATM 2639 1H HOH A2035) -8.50698971 +1 -11.01734764 +1 -17.01165812 +1 H(HETATM 2640 2H HOH A2035) -8.51221770 +1 -11.89565141 +1 -15.71126158 +1 O(HETATM 2641 O HOH A2036) -10.46100000 +0 -8.57100000 +0 -17.18600000 +0 H(HETATM 2642 1H HOH A2036) -9.62108990 +1 -8.76676648 +1 -17.60761755 +1 H(HETATM 2643 2H HOH A2036) -10.90451682 +1 -9.41716462 +1 -17.02378765 +1 O(HETATM 2644 O HOH A2037) -12.71900000 +0 -7.65200000 +0 -14.92900000 +0 H(HETATM 2645 1H HOH A2037) -12.07474191 +1 -8.16578506 +1 -15.42238218 +1 H(HETATM 2646 2H HOH A2037) -12.18136901 +1 -6.97897977 +1 -14.47774868 +1 O(HETATM 2647 O HOH A2038) -16.57800000 +0 -1.62500000 +0 -15.81300000 +0 H(HETATM 2648 1H HOH A2038) -15.74522522 +1 -1.81035765 +1 -16.26459227 +1 H(HETATM 2649 2H HOH A2038) -16.96123672 +1 -0.90322553 +1 -16.32424966 +1 O(HETATM 2650 O HOH A2039) -19.50300000 +0 -3.78700000 +0 -10.29300000 +0 H(HETATM 2651 1H HOH A2039) -19.07109058 +1 -2.94433048 +1 -10.49985811 +1 H(HETATM 2652 2H HOH A2039) -18.86076877 +1 -4.44788858 +1 -10.56143839 +1 O(HETATM 2653 O HOH A2040) -20.68400000 +0 0.93300000 +0 -15.30400000 +0 H(HETATM 2654 1H HOH A2040) -19.82247638 +1 0.62163083 +1 -15.60088435 +1 H(HETATM 2655 2H HOH A2040) -20.50210478 +1 1.48582356 +1 -14.53400590 +1 O(HETATM 2656 O HOH A2041) -14.25300000 +0 4.30300000 +0 -15.74000000 +0 H(HETATM 2657 1H HOH A2041) -15.09865495 +1 3.84998849 +1 -15.73438527 +1 H(HETATM 2658 2H HOH A2041) -14.36995335 +1 5.03779759 +1 -15.12545000 +1 O(HETATM 2659 O HOH A2042) -16.15800000 +0 -4.14900000 +0 -4.04900000 +0 H(HETATM 2660 1H HOH A2042) -16.10578182 +1 -3.79510724 +1 -3.14683972 +1 H(HETATM 2661 2H HOH A2042) -17.06311960 +1 -3.96894781 +1 -4.31966918 +1 O(HETATM 2662 O HOH A2043) -12.74900000 +0 -4.05800000 +0 -0.71900000 +0 H(HETATM 2663 1H HOH A2043) -12.84333618 +1 -5.01587875 +1 -0.65321385 +1 H(HETATM 2664 2H HOH A2043) -13.46458791 +1 -3.70798425 +1 -0.16266078 +1 O(HETATM 2665 O HOH A2044) -9.45500000 +0 -2.20200000 +0 -2.48100000 +0 H(HETATM 2666 1H HOH A2044) -8.49413434 +1 -2.17777153 +1 -2.37078249 +1 H(HETATM 2667 2H HOH A2044) -9.80697541 +1 -2.38205262 +1 -1.60317622 +1 O(HETATM 2668 O HOH A2045) 13.99600000 +0 -9.09400000 +0 -20.10900000 +0 H(HETATM 2669 1H HOH A2045) 13.79829460 +1 -9.94179768 +1 -19.69812382 +1 H(HETATM 2670 2H HOH A2045) 14.78290196 +1 -8.75440056 +1 -19.66559869 +1 O(HETATM 2671 O HOH A2046) -6.81700000 +0 -4.38700000 +0 0.10600000 +0 H(HETATM 2672 1H HOH A2046) -7.57977459 +1 -4.96849613 +1 0.23334919 +1 H(HETATM 2673 2H HOH A2046) -6.03026942 +1 -4.91561120 +1 0.26620405 +1 O(HETATM 2674 O HOH A2047) -5.81100000 +0 -6.00800000 +0 1.42800000 +0 H(HETATM 2675 1H HOH A2047) -4.97771390 +1 -5.74683472 +1 1.85352738 +1 H(HETATM 2676 2H HOH A2047) -5.80135457 +1 -6.97185278 +1 1.45972877 +1 O(HETATM 2677 O HOH A2048) -8.60600000 +0 -8.97200000 +0 2.84000000 +0 H(HETATM 2678 1H HOH A2048) -8.84395693 +1 -8.45931927 +1 2.02601426 +1 H(HETATM 2679 2H HOH A2048) -9.30628953 +1 -8.82955004 +1 3.47081084 +1 O(HETATM 2680 O HOH A2049) -15.60100000 +0 -9.47900000 +0 -5.13000000 +0 H(HETATM 2681 1H HOH A2049) -14.80231679 +1 -9.26922432 +1 -5.62769439 +1 H(HETATM 2682 2H HOH A2049) -15.68072559 +1 -8.77643958 +1 -4.48541056 +1 O(HETATM 2683 O HOH A2050) 10.94800000 +0 -19.06700000 +0 -0.96400000 +0 H(HETATM 2684 1H HOH A2050) 10.26731078 +1 -18.42146597 +1 -0.70458721 +1 H(HETATM 2685 2H HOH A2050) 10.45379569 +1 -19.88199060 +1 -1.08552498 +1 O(HETATM 2686 O HOH A2051) 12.55900000 +0 -16.74300000 +0 -7.14300000 +0 H(HETATM 2687 1H HOH A2051) 13.01343629 +1 -16.44126166 +1 -6.33417951 +1 H(HETATM 2688 2H HOH A2051) 11.88084792 +1 -16.08794460 +1 -7.27858952 +1 O(HETATM 2689 O HOH A2052) -12.12000000 +0 -15.17100000 +0 -4.51300000 +0 H(HETATM 2690 1H HOH A2052) -12.12299481 +1 -16.08213655 +1 -4.85286897 +1 H(HETATM 2691 2H HOH A2052) -12.19747071 +1 -14.59260392 +1 -5.27865401 +1 O(HETATM 2692 O HOH A2053) -12.61700000 +0 -14.38900000 +0 -2.07300000 +0 H(HETATM 2693 1H HOH A2053) -12.44945622 +1 -14.61941865 +1 -2.99617643 +1 H(HETATM 2694 2H HOH A2053) -13.57818866 +1 -14.38477614 +1 -1.97810831 +1 O(HETATM 2695 O HOH A2054) 7.32000000 +0 3.03300000 +0 -9.46800000 +0 H(HETATM 2696 1H HOH A2054) 8.16523149 +1 2.56108607 +1 -9.43739290 +1 H(HETATM 2697 2H HOH A2054) 7.26361152 +1 3.48290938 +1 -8.61122303 +1 O(HETATM 2698 O HOH A2055) -14.29300000 +0 -10.79900000 +0 -15.65200000 +0 H(HETATM 2699 1H HOH A2055) -13.54106412 +1 -11.08272337 +1 -16.23067677 +1 H(HETATM 2700 2H HOH A2055) -14.05996683 +1 -9.90483720 +1 -15.36890256 +1 O(HETATM 2701 O HOH A2056) -11.65200000 +0 -10.79000000 +0 -16.56300000 +0 H(HETATM 2702 1H HOH A2056) -10.80791975 +1 -11.29211107 +1 -16.55586166 +1 H(HETATM 2703 2H HOH A2056) -11.74320211 +1 -10.52959536 +1 -15.61824174 +1 O(HETATM 2704 O HOH A2057) -12.14300000 +0 -13.18700000 +0 -15.78300000 +0 H(HETATM 2705 1H HOH A2057) -11.58362829 +1 -13.32113519 +1 -16.58219112 +1 H(HETATM 2706 2H HOH A2057) -12.51366045 +1 -14.05504753 +1 -15.57952603 +1 O(HETATM 2707 O HOH A2058) 18.51900000 +0 -2.26000000 +0 -20.23200000 +0 H(HETATM 2708 1H HOH A2058) 17.84917974 +1 -2.85712309 +1 -20.60369719 +1 H(HETATM 2709 2H HOH A2058) 18.52481165 +1 -2.48955981 +1 -19.28669161 +1 O(HETATM 2710 O HOH A2059) -15.25400000 +0 -19.99800000 +0 -11.75300000 +0 H(HETATM 2711 1H HOH A2059) -14.65015988 +1 -19.78733343 +1 -12.47290127 +1 H(HETATM 2712 2H HOH A2059) -14.86310699 +1 -19.53373052 +1 -11.00366585 +1 O(HETATM 2713 O HOH A2060) 6.90000000 +0 5.41000000 +0 -13.76700000 +0 H(HETATM 2714 1H HOH A2060) 7.66368587 +1 5.19443016 +1 -13.20952446 +1 H(HETATM 2715 2H HOH A2060) 6.71507504 +1 4.58529835 +1 -14.22445597 +1 O(HETATM 2716 O HOH A2061) -17.95700000 +0 -13.12300000 +0 -11.54600000 +0 H(HETATM 2717 1H HOH A2061) -17.29316049 +1 -12.67423342 +1 -12.10598022 +1 H(HETATM 2718 2H HOH A2061) -17.45327238 +1 -13.53849624 +1 -10.85299624 +1 O(HETATM 2719 O HOH A2062) -12.33000000 +0 -21.96400000 +0 -12.22800000 +0 H(HETATM 2720 1H HOH A2062) -11.52730117 +1 -22.35519312 +1 -12.59059966 +1 H(HETATM 2721 2H HOH A2062) -12.08738732 +1 -21.10966522 +1 -11.89462982 +1 O(HETATM 2722 O HOH A2063) -7.46700000 +0 -22.06400000 +0 -12.43700000 +0 H(HETATM 2723 1H HOH A2063) -8.18735453 +1 -22.71076644 +1 -12.40513413 +1 H(HETATM 2724 2H HOH A2063) -7.89902938 +1 -21.28532067 +1 -12.79924281 +1 O(HETATM 2725 O HOH A2064) -12.21400000 +0 -23.83600000 +0 -7.07000000 +0 H(HETATM 2726 1H HOH A2064) -11.63046669 +1 -24.57196085 +1 -6.88707170 +1 H(HETATM 2727 2H HOH A2064) -11.73896232 +1 -23.29552628 +1 -7.70524834 +1 O(HETATM 2728 O HOH A2065) -14.04000000 +0 -23.29500000 +0 -4.49800000 +0 H(HETATM 2729 1H HOH A2065) -13.51361205 +1 -22.91216841 +1 -5.21427283 +1 H(HETATM 2730 2H HOH A2065) -14.14919261 +1 -22.59461488 +1 -3.84553825 +1 O(HETATM 2731 O HOH A2066) -14.65800000 +0 -21.66800000 +0 -2.39400000 +0 H(HETATM 2732 1H HOH A2066) -13.94094936 +1 -22.09917097 +1 -1.90431454 +1 H(HETATM 2733 2H HOH A2066) -14.39687379 +1 -20.72938188 +1 -2.36362116 +1 O(HETATM 2734 O HOH A2067) -0.58500000 +0 -13.66300000 +0 2.60400000 +0 H(HETATM 2735 1H HOH A2067) 0.01227830 +1 -12.86980025 +1 2.55822872 +1 H(HETATM 2736 2H HOH A2067) -0.00315327 +1 -14.40923941 +1 2.44433004 +1 O(HETATM 2737 O HOH A2068) 0.48000000 +0 -4.11200000 +0 2.57300000 +0 H(HETATM 2738 1H HOH A2068) 0.83705318 +1 -3.31719560 +1 2.16725549 +1 H(HETATM 2739 2H HOH A2068) -0.29951312 +1 -3.81934680 +1 3.04536371 +1 O(HETATM 2740 O HOH A2069) -1.01900000 +0 0.19500000 +0 1.06300000 +0 H(HETATM 2741 1H HOH A2069) -0.49312748 +1 0.51308135 +1 0.29276722 +1 H(HETATM 2742 2H HOH A2069) -0.43303982 +1 -0.40727990 +1 1.51215101 +1 O(HETATM 2743 O HOH A2070) -1.82900000 +0 -4.25200000 +0 -3.97800000 +0 H(HETATM 2744 1H HOH A2070) -1.04297332 +1 -3.99912369 +1 -4.47544525 +1 H(HETATM 2745 2H HOH A2070) -1.81472394 +1 -5.21732997 +1 -4.03972291 +1 O(HETATM 2746 O HOH A2071) -3.31500000 +0 3.02500000 +0 -7.94800000 +0 H(HETATM 2747 1H HOH A2071) -3.07251972 +1 2.73048992 +1 -8.86589845 +1 H(HETATM 2748 2H HOH A2071) -3.19200052 +1 3.97420566 +1 -7.96782795 +1 O(HETATM 2749 O HOH A2072) 6.79000000 +0 5.61000000 +0 -25.70800000 +0 H(HETATM 2750 1H HOH A2072) 7.71886452 +1 5.49933464 +1 -25.95195539 +1 H(HETATM 2751 2H HOH A2072) 6.68998802 +1 6.56532613 +1 -25.58453756 +1 O(HETATM 2752 O HOH A2073) 0.92700000 +0 1.90100000 +0 -22.15600000 +0 H(HETATM 2753 1H HOH A2073) 0.78253695 +1 2.32373332 +1 -23.01051914 +1 H(HETATM 2754 2H HOH A2073) 0.07431997 +1 1.87358681 +1 -21.71727873 +1 O(HETATM 2755 O HOH A2074) 3.92700000 +0 -2.22700000 +0 -27.52000000 +0 H(HETATM 2756 1H HOH A2074) 3.85267519 +1 -1.27362226 +1 -27.37169243 +1 H(HETATM 2757 2H HOH A2074) 3.02470862 +1 -2.55253814 +1 -27.48697325 +1 O(HETATM 2758 O HOH A2075) 0.78700000 +0 4.85500000 +0 -30.87800000 +0 H(HETATM 2759 1H HOH A2075) 0.41057366 +1 4.36446338 +1 -30.13112139 +1 H(HETATM 2760 2H HOH A2075) 0.86055300 +1 5.75903509 +1 -30.55377732 +1 O(HETATM 2761 O HOH A2076) -3.30300000 +0 -0.19800000 +0 -26.45900000 +0 H(HETATM 2762 1H HOH A2076) -3.92325688 +1 -0.93298157 +1 -26.37650586 +1 H(HETATM 2763 2H HOH A2076) -3.50097612 +1 0.35816701 +1 -25.69834149 +1 O(HETATM 2764 O HOH A2077) -2.84500000 +0 -0.17900000 +0 -21.82000000 +0 H(HETATM 2765 1H HOH A2077) -2.41474881 +1 0.61563395 +1 -21.47653871 +1 H(HETATM 2766 2H HOH A2077) -2.14995915 +1 -0.71272086 +1 -22.19198555 +1 O(HETATM 2767 O HOH A2078) -4.26300000 +0 1.87900000 +0 -23.89400000 +0 H(HETATM 2768 1H HOH A2078) -4.06656394 +1 1.11476533 +1 -23.34056576 +1 H(HETATM 2769 2H HOH A2078) -5.21578836 +1 1.87002523 +1 -24.03577230 +1 O(HETATM 2770 O HOH A2079) 4.66400000 +0 -12.00100000 +0 -0.44500000 +0 H(HETATM 2771 1H HOH A2079) 5.51368883 +1 -12.31896435 +1 -0.79054345 +1 H(HETATM 2772 2H HOH A2079) 4.84238785 +1 -11.07128875 +1 -0.20733273 +1 O(HETATM 2773 O HOH A2080) -10.29600000 +0 -19.82900000 +0 4.85900000 +0 H(HETATM 2774 1H HOH A2080) -9.62021393 +1 -19.83318298 +1 4.17213159 +1 H(HETATM 2775 2H HOH A2080) -9.84217914 +1 -19.51770330 +1 5.65188500 +1 O(HETATM 2776 O HOH A2081) -6.83300000 +0 -25.99000000 +0 -2.43100000 +0 H(HETATM 2777 1H HOH A2081) -7.75393706 +1 -25.69756094 +1 -2.42059551 +1 H(HETATM 2778 2H HOH A2081) -6.36504947 +1 -25.38300006 +1 -1.86141694 +1 O(HETATM 2779 O HOH A2082) -13.30800000 +0 -26.10800000 +0 -4.40300000 +0 H(HETATM 2780 1H HOH A2082) -13.53592673 +1 -25.17653392 +1 -4.55418097 +1 H(HETATM 2781 2H HOH A2082) -13.86551398 +1 -26.38310965 +1 -3.66530697 +1 O(HETATM 2782 O HOH A2083) -14.68800000 +0 -23.80900000 +0 -14.49300000 +0 H(HETATM 2783 1H HOH A2083) -13.75423156 +1 -24.03615325 +1 -14.63039673 +1 H(HETATM 2784 2H HOH A2083) -14.64380627 +1 -23.15034027 +1 -13.79083516 +1 O(HETATM 2785 O HOH A2084) -6.40400000 +0 -27.13400000 +0 -20.92300000 +0 H(HETATM 2786 1H HOH A2084) -5.65483352 +1 -26.54223715 +1 -20.93321954 +1 H(HETATM 2787 2H HOH A2084) -7.01411108 +1 -26.76787991 +1 -20.23550506 +1 O(HETATM 2788 O HOH A2085) -12.28500000 +0 -17.65000000 +0 -17.41700000 +0 H(HETATM 2789 1H HOH A2085) -12.07522336 +1 -16.72681091 +1 -17.22839210 +1 H(HETATM 2790 2H HOH A2085) -12.99511303 +1 -17.88805057 +1 -16.81603310 +1 O(HETATM 2791 O HOH A2086) -14.65700000 +0 -20.34600000 +0 -17.02700000 +0 H(HETATM 2792 1H HOH A2086) -15.48218028 +1 -20.50267291 +1 -17.51408026 +1 H(HETATM 2793 2H HOH A2086) -14.87769099 +1 -20.41207164 +1 -16.09700306 +1 O(HETATM 2794 O HOH A2087) -16.95800000 +0 -20.75900000 +0 -18.73200000 +0 H(HETATM 2795 1H HOH A2087) -17.11393629 +1 -19.86553928 +1 -19.06695627 +1 H(HETATM 2796 2H HOH A2087) -17.70742044 +1 -20.91179140 +1 -18.13505174 +1 O(HETATM 2797 O HOH A2088) -15.83600000 +0 -17.51100000 +0 -20.71300000 +0 H(HETATM 2798 1H HOH A2088) -15.67027592 +1 -18.44516050 +1 -20.79769764 +1 H(HETATM 2799 2H HOH A2088) -15.09319092 +1 -17.14079072 +1 -20.22562106 +1 O(HETATM 2800 O HOH A2089) -11.78600000 +0 -11.75800000 +0 -18.64800000 +0 H(HETATM 2801 1H HOH A2089) -10.86860566 +1 -11.49844669 +1 -18.72176212 +1 H(HETATM 2802 2H HOH A2089) -12.25314829 +1 -10.98157625 +1 -18.30205388 +1 O(HETATM 2803 O HOH A2090) -3.81700000 +0 -24.88600000 +0 -21.23900000 +0 H(HETATM 2804 1H HOH A2090) -3.04016693 +1 -24.75171687 +1 -21.82586907 +1 H(HETATM 2805 2H HOH A2090) -4.12375371 +1 -24.01051151 +1 -21.02053545 +1 O(HETATM 2806 O HOH A2091) -2.79500000 +0 -28.91600000 +0 -15.81700000 +0 H(HETATM 2807 1H HOH A2091) -3.18801148 +1 -28.47821831 +1 -15.06122583 +1 H(HETATM 2808 2H HOH A2091) -2.36841888 +1 -28.23119363 +1 -16.37320212 +1 O(HETATM 2809 O HOH A2092) -1.57000000 +0 -24.45600000 +0 -22.53400000 +0 H(HETATM 2810 1H HOH A2092) -1.36742295 +1 -25.07893352 +1 -23.25112185 +1 H(HETATM 2811 2H HOH A2092) -1.58242883 +1 -23.58978272 +1 -22.96372932 +1 O(HETATM 2812 O HOH A2093) -4.20200000 +0 -28.27100000 +0 -13.54800000 +0 H(HETATM 2813 1H HOH A2093) -3.49004444 +1 -28.22745593 +1 -12.89172931 +1 H(HETATM 2814 2H HOH A2093) -4.49493835 +1 -27.34429764 +1 -13.58646586 +1 O(HETATM 2815 O HOH A2094) -4.70900000 +0 -27.76700000 +0 -9.80600000 +0 H(HETATM 2816 1H HOH A2094) -4.31726972 +1 -27.23145903 +1 -10.50508177 +1 H(HETATM 2817 2H HOH A2094) -5.60010781 +1 -27.43437964 +1 -9.68685751 +1 O(HETATM 2818 O HOH A2095) 4.71100000 +0 -28.90800000 +0 -7.31100000 +0 H(HETATM 2819 1H HOH A2095) 4.01953544 +1 -28.24482544 +1 -7.44176479 +1 H(HETATM 2820 2H HOH A2095) 5.50257400 +1 -28.50370836 +1 -7.67385133 +1 O(HETATM 2821 O HOH A2096) 7.11300000 +0 -27.58800000 +0 -8.89000000 +0 H(HETATM 2822 1H HOH A2096) 8.04249304 +1 -27.89398820 +1 -8.88577719 +1 H(HETATM 2823 2H HOH A2096) 6.95982774 +1 -27.33027791 +1 -9.80449987 +1 O(HETATM 2824 O HOH A2097) 3.90400000 +0 -27.73600000 +0 -5.51700000 +0 H(HETATM 2825 1H HOH A2097) 4.68698536 +1 -28.06001135 +1 -5.02173945 +1 H(HETATM 2826 2H HOH A2097) 3.97870012 +1 -26.78443022 +1 -5.42938754 +1 O(HETATM 2827 O HOH A2098) 12.34000000 +0 -20.75000000 +0 -9.01200000 +0 H(HETATM 2828 1H HOH A2098) 13.26155343 +1 -21.00338651 +1 -8.91254550 +1 H(HETATM 2829 2H HOH A2098) 12.05734031 +1 -20.46009483 +1 -8.13723844 +1 O(HETATM 2830 O HOH A2099) 8.59000000 +0 -25.44100000 +0 -13.24200000 +0 H(HETATM 2831 1H HOH A2099) 8.72787478 +1 -24.71493722 +1 -12.62290956 +1 H(HETATM 2832 2H HOH A2099) 8.17875402 +1 -26.12158762 +1 -12.71108992 +1 O(HETATM 2833 O HOH A2100) 12.28400000 +0 -20.76400000 +0 -16.14000000 +0 H(HETATM 2834 1H HOH A2100) 13.22665393 +1 -20.54814811 +1 -16.10174506 +1 H(HETATM 2835 2H HOH A2100) 12.02333480 +1 -20.91191823 +1 -15.22657186 +1 O(HETATM 2836 O HOH A2101) 9.89000000 +0 -14.32800000 +0 -16.17600000 +0 H(HETATM 2837 1H HOH A2101) 9.79286066 +1 -15.18917941 +1 -16.60895171 +1 H(HETATM 2838 2H HOH A2101) 9.22379672 +1 -13.75623392 +1 -16.55432634 +1 O(HETATM 2839 O HOH A2102) 9.90600000 +0 -14.65400000 +0 -20.12400000 +0 H(HETATM 2840 1H HOH A2102) 9.83813902 +1 -15.44331885 +1 -19.57256403 +1 H(HETATM 2841 2H HOH A2102) 9.04087780 +1 -14.24805375 +1 -20.01726795 +1 O(HETATM 2842 O HOH A2103) 13.56300000 +0 -11.43200000 +0 -17.88800000 +0 H(HETATM 2843 1H HOH A2103) 12.81629399 +1 -10.97717108 +1 -17.46326723 +1 H(HETATM 2844 2H HOH A2103) 14.32491242 +1 -11.25966606 +1 -17.32058119 +1 O(HETATM 2845 O HOH A2104) 12.47100000 +0 -13.70500000 +0 -17.02500000 +0 H(HETATM 2846 1H HOH A2104) 12.65693786 +1 -12.82878715 +1 -17.33598166 +1 H(HETATM 2847 2H HOH A2104) 11.58910694 +1 -13.72253875 +1 -16.62184916 +1 O(HETATM 2848 O HOH A2105) 14.47200000 +0 -14.26900000 +0 -10.67500000 +0 H(HETATM 2849 1H HOH A2105) 14.00588608 +1 -13.44624292 +1 -10.88317020 +1 H(HETATM 2850 2H HOH A2105) 13.97481494 +1 -14.67852741 +1 -9.97254407 +1 O(HETATM 2851 O HOH A2106) 15.09100000 +0 -8.30100000 +0 -8.52100000 +0 H(HETATM 2852 1H HOH A2106) 14.21960406 +1 -8.58412689 +1 -8.81961088 +1 H(HETATM 2853 2H HOH A2106) 14.94363772 +1 -7.91642773 +1 -7.66020322 +1 O(HETATM 2854 O HOH A2107) 11.28800000 +0 -15.97500000 +0 2.05300000 +0 H(HETATM 2855 1H HOH A2107) 10.71460302 +1 -15.74497274 +1 1.30590080 +1 H(HETATM 2856 2H HOH A2107) 10.67697892 +1 -16.10173388 +1 2.78465934 +1 O(HETATM 2857 O HOH A2108) 8.51600000 +0 -17.59300000 +0 0.00500000 +0 H(HETATM 2858 1H HOH A2108) 8.58333345 +1 -16.64489225 +1 -0.02028481 +1 H(HETATM 2859 2H HOH A2108) 7.63776348 +1 -17.88628063 +1 0.22607498 +1 O(HETATM 2860 O HOH A2109) 12.78200000 +0 -12.86400000 +0 3.51600000 +0 H(HETATM 2861 1H HOH A2109) 12.17373005 +1 -12.21681915 +1 3.12380731 +1 H(HETATM 2862 2H HOH A2109) 12.51762549 +1 -13.69517004 +1 3.10988093 +1 O(HETATM 2863 O HOH A2110) 16.30300000 +0 -9.82600000 +0 -3.73000000 +0 H(HETATM 2864 1H HOH A2110) 15.62516415 +1 -10.20388385 +1 -3.14165256 +1 H(HETATM 2865 2H HOH A2110) 16.39381269 +1 -8.92315214 +1 -3.41169708 +1 O(HETATM 2866 O HOH A2111) 14.80900000 +0 -9.96500000 +0 0.23300000 +0 H(HETATM 2867 1H HOH A2111) 14.96208826 +1 -9.02156840 +1 0.16288737 +1 H(HETATM 2868 2H HOH A2111) 14.02676656 +1 -10.15329259 +1 -0.29783426 +1 O(HETATM 2869 O HOH A2112) 13.72000000 +0 -15.70000000 +0 -4.84900000 +0 H(HETATM 2870 1H HOH A2112) 14.65748300 +1 -15.92106729 +1 -4.95722390 +1 H(HETATM 2871 2H HOH A2112) 13.43592980 +1 -16.24237739 +1 -4.10161766 +1 O(HETATM 2872 O HOH A2113) 4.67100000 +0 -8.31500000 +0 2.25300000 +0 H(HETATM 2873 1H HOH A2113) 3.90442891 +1 -7.73307215 +1 2.22032181 +1 H(HETATM 2874 2H HOH A2113) 5.43050255 +1 -7.74719888 +1 2.43755557 +1 O(HETATM 2875 O HOH A2114) 5.31000000 +0 -9.57000000 +0 0.11300000 +0 H(HETATM 2876 1H HOH A2114) 5.00252167 +1 -9.11696253 +1 0.90992552 +1 H(HETATM 2877 2H HOH A2114) 6.16247749 +1 -9.21657199 +1 -0.12264273 +1 O(HETATM 2878 O HOH A2115) 9.35300000 +0 -4.11100000 +0 1.88000000 +0 H(HETATM 2879 1H HOH A2115) 9.23752452 +1 -3.59048587 +1 1.06925841 +1 H(HETATM 2880 2H HOH A2115) 9.00437418 +1 -3.51018254 +1 2.55495191 +1 O(HETATM 2881 O HOH A2116) 1.35900000 +0 -1.63700000 +0 2.33500000 +0 H(HETATM 2882 1H HOH A2116) 0.79794855 +1 -1.23622057 +1 3.01688372 +1 H(HETATM 2883 2H HOH A2116) 2.04596530 +1 -2.10002999 +1 2.87270829 +1 O(HETATM 2884 O HOH A2117) 9.96100000 +0 1.44000000 +0 -9.04300000 +0 H(HETATM 2885 1H HOH A2117) 9.80536202 +1 0.57215328 +1 -8.64665728 +1 H(HETATM 2886 2H HOH A2117) 10.34889319 +1 1.98904301 +1 -8.35592143 +1 O(HETATM 2887 O HOH A2118) 5.38900000 +0 1.44900000 +0 -9.71600000 +0 H(HETATM 2888 1H HOH A2118) 5.50186150 +1 0.66129684 +1 -10.21591935 +1 H(HETATM 2889 2H HOH A2118) 6.18995859 +1 1.94954483 +1 -9.70643660 +1 O(HETATM 2890 O HOH A2119) 9.93900000 +0 4.86500000 +0 -19.47000000 +0 H(HETATM 2891 1H HOH A2119) 10.70508870 +1 4.38948371 +1 -19.85458115 +1 H(HETATM 2892 2H HOH A2119) 9.22652031 +1 4.26413513 +1 -19.34756033 +1 O(HETATM 2893 O HOH A2120) 13.10900000 +0 3.50800000 +0 -23.55400000 +0 H(HETATM 2894 1H HOH A2120) 13.34171915 +1 3.18231937 +1 -22.65741042 +1 H(HETATM 2895 2H HOH A2120) 13.69534170 +1 4.26046446 +1 -23.69319479 +1 O(HETATM 2896 O HOH A2121) 9.40600000 +0 4.86500000 +0 -26.89000000 +0 H(HETATM 2897 1H HOH A2121) 9.74451754 +1 5.70783424 +1 -27.22625382 +1 H(HETATM 2898 2H HOH A2121) 8.82113782 +1 4.54401895 +1 -27.58484330 +1 O(HETATM 2899 O HOH A2122) 8.50900000 +0 -7.79300000 +0 -28.02900000 +0 H(HETATM 2900 1H HOH A2122) 8.67365304 +1 -7.79749021 +1 -28.97475089 +1 H(HETATM 2901 2H HOH A2122) 8.30446588 +1 -6.87905578 +1 -27.79019597 +1 O(HETATM 2902 O HOH A2123) 5.33700000 +0 -8.72000000 +0 -29.30900000 +0 H(HETATM 2903 1H HOH A2123) 6.29169394 +1 -8.59545698 +1 -29.33994802 +1 H(HETATM 2904 2H HOH A2123) 4.97695749 +1 -8.08104828 +1 -29.93724568 +1 O(HETATM 2905 O HOH A2124) 11.47300000 +0 -12.29100000 +0 -23.45200000 +0 H(HETATM 2906 1H HOH A2124) 11.44690484 +1 -11.32252602 +1 -23.49248924 +1 H(HETATM 2907 2H HOH A2124) 10.57024146 +1 -12.54701390 +1 -23.25933221 +1 O(HETATM 2908 O HOH A2125) 13.49000000 +0 -7.98100000 +0 -22.22000000 +0 H(HETATM 2909 1H HOH A2125) 12.85627624 +1 -8.55963326 +1 -22.65479519 +1 H(HETATM 2910 2H HOH A2125) 13.63843873 +1 -8.37329675 +1 -21.35607064 +1 O(HETATM 2911 O HOH A2126) 17.43500000 +0 0.12700000 +0 -20.41000000 +0 H(HETATM 2912 1H HOH A2126) 16.50187302 +1 0.04709000 +1 -20.61651516 +1 H(HETATM 2913 2H HOH A2126) 17.78221685 +1 -0.77283390 +1 -20.33916289 +1 O(HETATM 2914 O HOH A2127) 13.13400000 +0 6.43300000 +0 -21.11700000 +0 H(HETATM 2915 1H HOH A2127) 12.84906949 +1 5.49904956 +1 -20.97522136 +1 H(HETATM 2916 2H HOH A2127) 12.31695690 +1 6.92936339 +1 -21.03140349 +1 O(HETATM 2917 O HOH A2128) 18.89800000 +0 -5.24700000 +0 -14.55800000 +0 H(HETATM 2918 1H HOH A2128) 18.16115534 +1 -4.88793969 +1 -14.05566650 +1 H(HETATM 2919 2H HOH A2128) 19.12079665 +1 -6.07029878 +1 -14.11510276 +1 O(HETATM 2920 O HOH A2129) 9.50900000 +0 4.51600000 +0 -12.07200000 +0 H(HETATM 2921 1H HOH A2129) 10.01377819 +1 3.68200285 +1 -12.07743683 +1 H(HETATM 2922 2H HOH A2129) 8.99973867 +1 4.45245959 +1 -11.25714491 +1 O(HETATM 2923 O HOH A2130) 14.56100000 +0 -4.07600000 +0 -5.91200000 +0 H(HETATM 2924 1H HOH A2130) 14.50432357 +1 -4.06927986 +1 -4.95242079 +1 H(HETATM 2925 2H HOH A2130) 14.23848559 +1 -3.21547256 +1 -6.18353099 +1 O(HETATM 2926 O HOH A2131) 15.65700000 +0 -7.17400000 +0 0.49400000 +0 H(HETATM 2927 1H HOH A2131) 15.07379489 +1 -6.68454344 +1 -0.11633946 +1 H(HETATM 2928 2H HOH A2131) 15.48914235 +1 -6.84653255 +1 1.37330034 +1 O(HETATM 2929 O HOH A2132) 7.07800000 +0 3.42100000 +0 1.40000000 +0 H(HETATM 2930 1H HOH A2132) 6.94924562 +1 3.66730990 +1 0.47635366 +1 H(HETATM 2931 2H HOH A2132) 7.92369508 +1 3.82759617 +1 1.63980995 +1 O(HETATM 2932 O HOH A2133) -2.45300000 +0 0.31800000 +0 -2.58800000 +0 H(HETATM 2933 1H HOH A2133) -1.51888365 +1 0.49881217 +1 -2.39551056 +1 H(HETATM 2934 2H HOH A2133) -2.86272542 +1 0.32743396 +1 -1.71625457 +1 O(HETATM 2935 O HOH A2134) 2.71600000 +0 -6.93600000 +0 -19.02100000 +0 H(HETATM 2936 1H HOH A2134) 3.25153963 +1 -7.63521528 +1 -18.60078685 +1 H(HETATM 2937 2H HOH A2134) 3.15710323 +1 -6.11760689 +1 -18.76188506 +1 "[8OG]1157:A.C6" "[8OG]1157:A.N1" User-supplied pi bonds ------------------------------------------------------------------------------- HTML OUTPUT noopt opt-H setpi t=2W GNORM=5 charge=-1 MOZYME eps=78.4 Optimizing the positions of the hydrogen atoms HERBERTS TEST WAS SATISFIED IN BFGS SCF FIELD WAS ACHIEVED PM7 CALCULATION MOPAC2016 (Version: 17.276W) Wed Oct 04 05:58:18 2017 FINAL HEAT OF FORMATION = -23049.07118 KCAL/MOL = -96437.31381 KJ/MOL VAN DER WAALS AREA = 6337.62 SQUARE ANGSTROMS TOTAL ENERGY = -275226.15920 EV ELECTRONIC ENERGY = -30555177.43153 EV CORE-CORE REPULSION = 30277482.24255 EV DIELECTRIC ENERGY = -54.14159 EV COSMO AREA = 6337.62 SQUARE ANGSTROMS COSMO VOLUME = 25493.24 CUBIC ANGSTROMS GRADIENT NORM = 9.03156 NO. OF FILLED LEVELS = 4099 MOLECULAR WEIGHT = 20735.6060 MOLECULAR DIMENSIONS (Angstroms) Atom Atom Distance H 2759 H 235 48.92566 H 1500 O 2448 42.26053 H 1764 H 635 40.18040 SCF CALCULATIONS = 292 WALL-CLOCK TIME = 8 HOURS 18 MINUTES AND 16.554 SECONDS COMPUTATION TIME = 13 HOURS 15 MINUTES AND 32.656 SECONDS Empirical Formula: C817 H1514 N214 O382 S8 P = 2936 atoms NET CHARGE ON RESIDUES Residue Charge Anion or Cation? ALA A 3 -0.038 SER A 4 +0.018 ARG A 5 -0.001 LEU A 6 +0.037 TYR A 7 -0.012 THR A 8 -0.001 LEU A 9 +0.007 VAL A 10 -0.015 LEU A 11 +0.019 VAL A 12 -0.030 LEU A 13 +0.011 GLN A 14 +0.054 PRO A 15 +0.028 GLN A 16 -0.050 ARG A 17 +0.010 VAL A 18 +0.009 LEU A 19 -0.005 LEU A 20 +0.032 GLY A 21 +0.010 MET A 22 -0.011 LYS A 23 +1.008 CATION LYS A 24 +0.931 CATION ARG A 25 +0.005 GLY A 26 +0.026 PHE A 27 -0.016 GLY A 28 -0.005 ALA A 29 +0.008 GLY A 30 -0.011 ARG A 31 +0.951 CATION TRP A 32 +0.014 ASN A 33 -0.002 GLY A 34 +0.014 PHE A 35 -0.011 GLY A 36 -0.009 GLY A 37 -0.013 LYS A 38 +0.058 VAL A 39 -0.057 GLN A 40 +0.088 GLU A 41 -0.007 GLY A 42 -0.036 GLU A 43 -0.863 ANION THR A 44 +0.006 ILE A 45 -0.036 GLU A 46 -0.916 ANION ASP A 47 -0.028 GLY A 48 +0.084 ALA A 49 -0.037 ARG A 50 +0.951 CATION ARG A 51 +0.948 CATION GLU A 52 -0.049 LEU A 53 +0.007 GLN A 54 +0.050 GLU A 55 -0.034 GLU A 56 -0.062 SER A 57 -0.035 GLY A 58 +0.035 LEU A 59 -0.024 THR A 60 -0.011 VAL A 61 +0.075 ASP A 62 -0.054 ALA A 63 +0.017 LEU A 64 -0.002 HIS A 65 -0.057 LYS A 66 +0.063 VAL A 67 -0.013 GLY A 68 -0.037 GLN A 69 -0.041 ILE A 70 +0.023 VAL A 71 +0.004 PHE A 72 +0.028 GLU A 73 -0.050 PHE A 74 +0.014 VAL A 75 +0.030 GLY A 76 -0.049 GLU A 77 +0.027 PRO A 78 +0.027 GLU A 79 -0.029 LEU A 80 +0.055 MET A 81 -0.015 ASP A 82 -0.905 ANION VAL A 83 +0.070 HIS A 84 +0.903 CATION VAL A 85 -0.022 PHE A 86 +0.031 CYS A 87 -0.008 THR A 88 +0.050 ASP A 89 -0.003 SER A 90 -0.041 ILE A 91 -0.009 GLN A 92 +0.013 GLY A 93 +0.047 THR A 94 -0.006 PRO A 95 -0.001 VAL A 96 -0.006 GLU A 97 -0.884 ANION SER A 98 +0.005 ASP A 99 -0.013 GLU A 100 +0.003 MET A 101 +0.040 ARG A 102 +0.007 PRO A 103 -0.006 CYS A 104 -0.015 TRP A 105 +0.054 PHE A 106 -0.018 GLN A 107 +0.020 LEU A 108 +0.017 ASP A 109 -0.041 GLN A 110 +0.007 ILE A 111 +0.045 PRO A 112 +0.000 PHE A 113 -0.038 LYS A 114 +0.074 ASP A 115 -0.036 MET A 116 -0.005 TRP A 117 +0.035 PRO A 118 -0.009 ASP A 119 -0.150 ASP A 120 -0.071 SER A 121 +0.033 TYR A 122 +0.038 TRP A 123 -0.017 PHE A 124 -0.019 PRO A 125 +0.026 LEU A 126 +0.013 LEU A 127 +0.000 LEU A 128 +0.015 GLN A 129 +0.057 LYS A 130 -0.013 LYS A 131 +0.022 LYS A 132 -0.029 PHE A 133 +0.013 HIS A 134 +0.833 CATION GLY A 135 +0.051 TYR A 136 +0.046 PHE A 137 +0.032 LYS A 138 +0.935 CATION PHE A 139 +0.042 GLN A 140 -0.020 GLY A 141 +0.070 GLN A 142 -0.034 ASP A 143 -1.002 ANION THR A 144 -0.011 ILE A 145 -0.004 LEU A 146 +0.020 ASP A 147 -0.946 ANION TYR A 148 +0.031 THR A 149 +0.012 LEU A 150 -0.008 ARG A 151 -0.008 GLU A 152 +0.067 VAL A 153 +0.028 ASP A 154 -0.030 THR A 155 -0.010 VAL A 156 -0.874 ANION 8OG A1157 -1.585 ANION SO4 A1158 +0.025 SO4 A1159 -0.022 Salt Bridges Found (Up to 8.0 Angstroms) No. Cationic site Anionic site Dist. (Angstroms) 1 (ATOM 738 NH1 ARG A 50) A50(+) (ATOM 692 OE2 GLU A 46) A46(-) 2.63 2 (ATOM 2115 NE2 HIS A 134) A134(+) (ATOM 2471 O VAL A 156) A156(-) 2.67 3 (ATOM 760 NE ARG A 51) A51(+) (ATOM 643 OE1 GLU A 43) A43(-) 2.77 4 (ATOM 368 NZ LYS A 24) A24(+) (ATOM 1470 OE2 GLU A 97) A97(-) 2.79 5 (ATOM 466 NH2 ARG A 31) A31(+) (ATOM 2262 OD1 ASP A 143) A143(-) 2.80 6 (ATOM 1278 ND1 HIS A 84) A84(+) (ATOM 1250 OD1 ASP A 82) A82(-) 3.42 7 (ATOM 2181 NZ LYS A 138) A138(+) (ATOM 2327 OD2 ASP A 147) A147(-) 3.80 8 (ATOM 1280 NE2 HIS A 84) A84(+) (ATOM 2471 O VAL A 156) A156(-) 6.33 DIPOLE X Y Z TOTAL POINT-CHG. -17.478 109.815 49.638 121.773 HYBRID 0.452 13.385 7.665 15.431 SUM -17.027 123.201 57.302 136.937 ********************** * * * JOB ENDED NORMALLY * * * ********************** TOTAL JOB TIME: 29896.77 SECONDS == MOPAC DONE ==