USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 SER OG : rot 180:sc=-0.00591 USER MOD Set 1.2: A 70 GLN : amide:sc= -0.788 X(o=-0.79,f=-0.34) USER MOD Single : A 3 GLN : amide:sc= 0.123 K(o=0.12,f=-7.3!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 145:sc= -0.0616 (180deg=-0.574) USER MOD Single : A 20 GLN : amide:sc= -0.629 K(o=-0.63,f=-1.9!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 142:sc= -1.71 USER MOD Single : A 25 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-0.4) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -108:sc= -1.87 (180deg=-4.64!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.11) USER MOD Single : A 65 GLN : amide:sc= -2.85! K(o=-2.8!,f=-0.8) USER MOD Single : A 66 MET CE :methyl 180:sc= -0.551 (180deg=-0.551) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= -0.104 (180deg=-0.599) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 34:sc= 0.207 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 24:sc= 0.47 USER MOD Single : A 105 LYS NZ :NH3+ -162:sc= -0.0914 (180deg=-0.637) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -52.018 -31.771 59.922 1.00 0.00 N ATOM 11 CA VAL A 2 -51.737 -32.756 61.022 1.00 0.00 C ATOM 12 C VAL A 2 -52.540 -34.015 60.716 1.00 0.00 C ATOM 13 O VAL A 2 -53.593 -33.946 60.112 1.00 0.00 O ATOM 14 CB VAL A 2 -52.186 -32.157 62.370 1.00 0.00 C ATOM 15 CG1 VAL A 2 -53.700 -31.857 62.344 1.00 0.00 C ATOM 16 CG2 VAL A 2 -51.929 -33.174 63.499 1.00 0.00 C ATOM 0 HA VAL A 2 -50.673 -32.987 61.084 1.00 0.00 H new ATOM 0 HB VAL A 2 -51.624 -31.239 62.540 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -54.004 -31.435 63.302 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -53.916 -31.144 61.548 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -54.251 -32.780 62.164 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -52.247 -32.749 64.451 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -52.493 -34.086 63.302 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -50.865 -33.407 63.543 1.00 0.00 H new ATOM 26 N GLN A 3 -52.039 -35.149 61.131 1.00 0.00 N ATOM 27 CA GLN A 3 -52.747 -36.446 60.884 1.00 0.00 C ATOM 28 C GLN A 3 -53.025 -37.092 62.237 1.00 0.00 C ATOM 29 O GLN A 3 -52.313 -36.871 63.197 1.00 0.00 O ATOM 30 CB GLN A 3 -51.837 -37.331 60.029 1.00 0.00 C ATOM 31 CG GLN A 3 -52.430 -38.736 59.828 1.00 0.00 C ATOM 32 CD GLN A 3 -53.755 -38.676 59.059 1.00 0.00 C ATOM 33 OE1 GLN A 3 -54.764 -38.209 59.547 1.00 0.00 O ATOM 34 NE2 GLN A 3 -53.792 -39.146 57.841 1.00 0.00 N ATOM 0 H GLN A 3 -51.158 -35.235 61.637 1.00 0.00 H new ATOM 0 HA GLN A 3 -53.690 -36.301 60.358 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -51.680 -36.860 59.058 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -50.860 -37.414 60.504 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -51.719 -39.359 59.285 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -52.591 -39.207 60.798 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -52.950 -39.541 57.421 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -54.662 -39.118 57.310 1.00 0.00 H new ATOM 43 N VAL A 4 -54.065 -37.883 62.272 1.00 0.00 N ATOM 44 CA VAL A 4 -54.474 -38.596 63.525 1.00 0.00 C ATOM 45 C VAL A 4 -54.595 -40.090 63.217 1.00 0.00 C ATOM 46 O VAL A 4 -55.468 -40.507 62.483 1.00 0.00 O ATOM 47 CB VAL A 4 -55.828 -38.064 63.993 1.00 0.00 C ATOM 48 CG1 VAL A 4 -56.229 -38.756 65.305 1.00 0.00 C ATOM 49 CG2 VAL A 4 -55.700 -36.571 64.252 1.00 0.00 C ATOM 0 H VAL A 4 -54.663 -38.071 61.468 1.00 0.00 H new ATOM 0 HA VAL A 4 -53.733 -38.433 64.308 1.00 0.00 H new ATOM 0 HB VAL A 4 -56.582 -38.259 63.230 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -57.195 -38.375 65.637 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -56.300 -39.831 65.142 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -55.477 -38.553 66.068 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -56.659 -36.176 64.587 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -54.948 -36.398 65.022 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -55.401 -36.067 63.333 1.00 0.00 H new ATOM 59 N GLU A 5 -53.714 -40.866 63.787 1.00 0.00 N ATOM 60 CA GLU A 5 -53.725 -42.348 63.569 1.00 0.00 C ATOM 61 C GLU A 5 -54.096 -42.912 64.942 1.00 0.00 C ATOM 62 O GLU A 5 -53.250 -43.086 65.796 1.00 0.00 O ATOM 63 CB GLU A 5 -52.325 -42.795 63.144 1.00 0.00 C ATOM 64 CG GLU A 5 -52.349 -44.219 62.557 1.00 0.00 C ATOM 65 CD GLU A 5 -52.973 -45.216 63.537 1.00 0.00 C ATOM 66 OE1 GLU A 5 -54.188 -45.182 63.647 1.00 0.00 O ATOM 67 OE2 GLU A 5 -52.196 -45.954 64.118 1.00 0.00 O ATOM 0 H GLU A 5 -52.974 -40.534 64.405 1.00 0.00 H new ATOM 0 HA GLU A 5 -54.414 -42.681 62.793 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -51.928 -42.100 62.404 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -51.654 -42.764 64.003 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -52.914 -44.221 61.625 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -51.333 -44.532 62.315 1.00 0.00 H new ATOM 74 N THR A 6 -55.361 -43.186 65.121 1.00 0.00 N ATOM 75 CA THR A 6 -55.792 -43.729 66.438 1.00 0.00 C ATOM 76 C THR A 6 -55.298 -45.155 66.672 1.00 0.00 C ATOM 77 O THR A 6 -55.008 -45.895 65.752 1.00 0.00 O ATOM 78 CB THR A 6 -57.325 -43.687 66.497 1.00 0.00 C ATOM 79 OG1 THR A 6 -57.638 -42.313 66.317 1.00 0.00 O ATOM 80 CG2 THR A 6 -57.840 -44.000 67.911 1.00 0.00 C ATOM 0 H THR A 6 -56.099 -43.060 64.428 1.00 0.00 H new ATOM 0 HA THR A 6 -55.354 -43.114 67.225 1.00 0.00 H new ATOM 0 HB THR A 6 -57.748 -44.389 65.778 1.00 0.00 H new ATOM 0 HG1 THR A 6 -58.610 -42.193 66.340 1.00 0.00 H new ATOM 0 HG21 THR A 6 -58.929 -43.962 67.918 1.00 0.00 H new ATOM 0 HG22 THR A 6 -57.510 -44.996 68.206 1.00 0.00 H new ATOM 0 HG23 THR A 6 -57.447 -43.264 68.613 1.00 0.00 H new ATOM 88 N ILE A 7 -55.221 -45.489 67.932 1.00 0.00 N ATOM 89 CA ILE A 7 -54.759 -46.841 68.380 1.00 0.00 C ATOM 90 C ILE A 7 -55.888 -47.462 69.197 1.00 0.00 C ATOM 91 O ILE A 7 -56.347 -48.550 68.912 1.00 0.00 O ATOM 92 CB ILE A 7 -53.502 -46.688 69.255 1.00 0.00 C ATOM 93 CG1 ILE A 7 -52.418 -45.979 68.414 1.00 0.00 C ATOM 94 CG2 ILE A 7 -53.020 -48.107 69.653 1.00 0.00 C ATOM 95 CD1 ILE A 7 -51.271 -45.480 69.306 1.00 0.00 C ATOM 0 H ILE A 7 -55.467 -44.861 68.697 1.00 0.00 H new ATOM 0 HA ILE A 7 -54.513 -47.472 67.526 1.00 0.00 H new ATOM 0 HB ILE A 7 -53.708 -46.106 70.153 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -52.028 -46.666 67.663 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -52.859 -45.139 67.878 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -52.128 -48.027 70.275 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -53.807 -48.616 70.210 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -52.786 -48.677 68.754 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -50.520 -44.984 68.690 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -51.661 -44.775 70.040 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -50.816 -46.326 69.821 1.00 0.00 H new ATOM 107 N SER A 8 -56.311 -46.742 70.206 1.00 0.00 N ATOM 108 CA SER A 8 -57.418 -47.237 71.101 1.00 0.00 C ATOM 109 C SER A 8 -58.579 -46.237 71.175 1.00 0.00 C ATOM 110 O SER A 8 -58.640 -45.466 72.111 1.00 0.00 O ATOM 111 CB SER A 8 -56.861 -47.464 72.504 1.00 0.00 C ATOM 112 OG SER A 8 -55.791 -48.373 72.294 1.00 0.00 O ATOM 0 H SER A 8 -55.938 -45.826 70.455 1.00 0.00 H new ATOM 0 HA SER A 8 -57.801 -48.168 70.683 1.00 0.00 H new ATOM 0 HB2 SER A 8 -56.514 -46.533 72.953 1.00 0.00 H new ATOM 0 HB3 SER A 8 -57.615 -47.879 73.173 1.00 0.00 H new ATOM 0 HG SER A 8 -55.364 -48.580 73.152 1.00 0.00 H new ATOM 118 N PRO A 9 -59.466 -46.257 70.209 1.00 0.00 N ATOM 119 CA PRO A 9 -60.636 -45.347 70.181 1.00 0.00 C ATOM 120 C PRO A 9 -61.221 -45.062 71.571 1.00 0.00 C ATOM 121 O PRO A 9 -60.946 -45.757 72.529 1.00 0.00 O ATOM 122 CB PRO A 9 -61.586 -46.055 69.224 1.00 0.00 C ATOM 123 CG PRO A 9 -60.596 -46.605 68.167 1.00 0.00 C ATOM 124 CD PRO A 9 -59.451 -47.171 69.033 1.00 0.00 C ATOM 0 HA PRO A 9 -60.392 -44.339 69.847 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -62.147 -46.850 69.715 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -62.315 -45.372 68.788 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -61.053 -47.376 67.547 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -60.246 -45.822 67.495 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -59.631 -48.207 69.320 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -58.495 -47.147 68.510 1.00 0.00 H new ATOM 132 N GLY A 10 -62.029 -44.037 71.644 1.00 0.00 N ATOM 133 CA GLY A 10 -62.678 -43.639 72.938 1.00 0.00 C ATOM 134 C GLY A 10 -64.178 -43.857 72.737 1.00 0.00 C ATOM 135 O GLY A 10 -64.574 -44.334 71.691 1.00 0.00 O ATOM 0 H GLY A 10 -62.273 -43.446 70.850 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -62.303 -44.242 73.765 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -62.463 -42.598 73.179 1.00 0.00 H new ATOM 139 N ASP A 11 -64.986 -43.523 73.709 1.00 0.00 N ATOM 140 CA ASP A 11 -66.453 -43.724 73.546 1.00 0.00 C ATOM 141 C ASP A 11 -66.932 -43.305 72.152 1.00 0.00 C ATOM 142 O ASP A 11 -67.492 -44.088 71.410 1.00 0.00 O ATOM 143 CB ASP A 11 -67.162 -42.912 74.630 1.00 0.00 C ATOM 144 CG ASP A 11 -66.709 -41.459 74.543 1.00 0.00 C ATOM 145 OD1 ASP A 11 -65.508 -41.257 74.617 1.00 0.00 O ATOM 146 OD2 ASP A 11 -67.596 -40.637 74.408 1.00 0.00 O ATOM 0 H ASP A 11 -64.695 -43.123 74.601 1.00 0.00 H new ATOM 0 HA ASP A 11 -66.688 -44.783 73.649 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -68.243 -42.977 74.502 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -66.933 -43.319 75.615 1.00 0.00 H new ATOM 151 N GLY A 12 -66.689 -42.059 71.841 1.00 0.00 N ATOM 152 CA GLY A 12 -67.086 -41.483 70.518 1.00 0.00 C ATOM 153 C GLY A 12 -68.235 -40.514 70.760 1.00 0.00 C ATOM 154 O GLY A 12 -69.033 -40.242 69.886 1.00 0.00 O ATOM 0 H GLY A 12 -66.221 -41.399 72.463 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -66.243 -40.969 70.057 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -67.391 -42.274 69.833 1.00 0.00 H new ATOM 158 N ARG A 13 -68.284 -40.013 71.968 1.00 0.00 N ATOM 159 CA ARG A 13 -69.351 -39.045 72.375 1.00 0.00 C ATOM 160 C ARG A 13 -68.797 -37.836 73.127 1.00 0.00 C ATOM 161 O ARG A 13 -69.324 -36.751 72.980 1.00 0.00 O ATOM 162 CB ARG A 13 -70.368 -39.774 73.258 1.00 0.00 C ATOM 163 CG ARG A 13 -70.987 -40.909 72.439 1.00 0.00 C ATOM 164 CD ARG A 13 -72.041 -41.613 73.294 1.00 0.00 C ATOM 165 NE ARG A 13 -71.354 -42.182 74.502 1.00 0.00 N ATOM 166 CZ ARG A 13 -71.373 -43.466 74.754 1.00 0.00 C ATOM 167 NH1 ARG A 13 -72.417 -44.162 74.396 1.00 0.00 N ATOM 168 NH2 ARG A 13 -70.349 -44.007 75.356 1.00 0.00 N ATOM 0 H ARG A 13 -67.616 -40.238 72.705 1.00 0.00 H new ATOM 0 HA ARG A 13 -69.820 -38.667 71.466 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -69.882 -40.170 74.150 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -71.141 -39.084 73.596 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -71.440 -40.515 71.529 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -70.217 -41.616 72.131 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -72.819 -40.911 73.594 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -72.527 -42.405 72.724 1.00 0.00 H new ATOM 0 HE ARG A 13 -70.863 -41.555 75.139 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -73.199 -43.704 73.929 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -72.451 -45.164 74.584 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -69.551 -43.430 75.622 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -70.347 -45.006 75.560 1.00 0.00 H new ATOM 182 N THR A 14 -67.758 -38.008 73.918 1.00 0.00 N ATOM 183 CA THR A 14 -67.191 -36.840 74.681 1.00 0.00 C ATOM 184 C THR A 14 -65.808 -36.426 74.191 1.00 0.00 C ATOM 185 O THR A 14 -64.918 -37.239 74.040 1.00 0.00 O ATOM 186 CB THR A 14 -67.075 -37.216 76.140 1.00 0.00 C ATOM 187 OG1 THR A 14 -68.378 -37.647 76.508 1.00 0.00 O ATOM 188 CG2 THR A 14 -66.819 -35.984 77.019 1.00 0.00 C ATOM 0 H THR A 14 -67.281 -38.897 74.068 1.00 0.00 H new ATOM 0 HA THR A 14 -67.869 -36.000 74.528 1.00 0.00 H new ATOM 0 HB THR A 14 -66.272 -37.942 76.270 1.00 0.00 H new ATOM 0 HG1 THR A 14 -68.381 -37.912 77.452 1.00 0.00 H new ATOM 0 HG21 THR A 14 -66.741 -36.291 78.062 1.00 0.00 H new ATOM 0 HG22 THR A 14 -65.890 -35.504 76.711 1.00 0.00 H new ATOM 0 HG23 THR A 14 -67.644 -35.280 76.909 1.00 0.00 H new ATOM 196 N PHE A 15 -65.670 -35.147 73.952 1.00 0.00 N ATOM 197 CA PHE A 15 -64.379 -34.559 73.474 1.00 0.00 C ATOM 198 C PHE A 15 -64.107 -33.368 74.395 1.00 0.00 C ATOM 199 O PHE A 15 -64.965 -33.046 75.192 1.00 0.00 O ATOM 200 CB PHE A 15 -64.537 -34.082 72.039 1.00 0.00 C ATOM 201 CG PHE A 15 -64.906 -35.263 71.139 1.00 0.00 C ATOM 202 CD1 PHE A 15 -66.168 -35.818 71.198 1.00 0.00 C ATOM 203 CD2 PHE A 15 -63.981 -35.780 70.255 1.00 0.00 C ATOM 204 CE1 PHE A 15 -66.504 -36.878 70.380 1.00 0.00 C ATOM 205 CE2 PHE A 15 -64.313 -36.839 69.434 1.00 0.00 C ATOM 206 CZ PHE A 15 -65.576 -37.388 69.497 1.00 0.00 C ATOM 0 H PHE A 15 -66.420 -34.466 74.072 1.00 0.00 H new ATOM 0 HA PHE A 15 -63.564 -35.282 73.497 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -65.310 -33.315 71.984 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -63.610 -33.625 71.694 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -66.897 -35.421 71.888 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -62.990 -35.353 70.205 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -67.493 -37.308 70.432 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -63.584 -37.237 68.743 1.00 0.00 H new ATOM 0 HZ PHE A 15 -65.838 -38.216 68.856 1.00 0.00 H new ATOM 216 N PRO A 16 -62.971 -32.720 74.310 1.00 0.00 N ATOM 217 CA PRO A 16 -62.818 -31.412 74.994 1.00 0.00 C ATOM 218 C PRO A 16 -63.701 -30.339 74.342 1.00 0.00 C ATOM 219 O PRO A 16 -63.975 -30.390 73.159 1.00 0.00 O ATOM 220 CB PRO A 16 -61.318 -31.097 74.889 1.00 0.00 C ATOM 221 CG PRO A 16 -60.668 -32.466 74.537 1.00 0.00 C ATOM 222 CD PRO A 16 -61.713 -33.136 73.621 1.00 0.00 C ATOM 0 HA PRO A 16 -63.143 -31.437 76.034 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -61.120 -30.352 74.119 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -60.927 -30.699 75.826 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -59.712 -32.338 74.029 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -60.477 -33.061 75.430 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -61.661 -32.773 72.595 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -61.599 -34.219 73.582 1.00 0.00 H new ATOM 230 N LYS A 17 -64.130 -29.383 75.130 1.00 0.00 N ATOM 231 CA LYS A 17 -64.989 -28.276 74.640 1.00 0.00 C ATOM 232 C LYS A 17 -64.326 -26.914 74.894 1.00 0.00 C ATOM 233 O LYS A 17 -63.323 -26.804 75.574 1.00 0.00 O ATOM 234 CB LYS A 17 -66.287 -28.379 75.376 1.00 0.00 C ATOM 235 CG LYS A 17 -66.960 -29.707 74.994 1.00 0.00 C ATOM 236 CD LYS A 17 -68.251 -29.936 75.808 1.00 0.00 C ATOM 237 CE LYS A 17 -69.317 -28.879 75.476 1.00 0.00 C ATOM 238 NZ LYS A 17 -69.556 -28.834 74.006 1.00 0.00 N ATOM 0 H LYS A 17 -63.909 -29.329 76.124 1.00 0.00 H new ATOM 0 HA LYS A 17 -65.144 -28.355 73.564 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -66.117 -28.336 76.452 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -66.934 -27.540 75.122 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -67.194 -29.705 73.929 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -66.268 -30.531 75.167 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -68.644 -30.931 75.597 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -68.022 -29.903 76.873 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -70.246 -29.113 75.996 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -68.992 -27.900 75.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -70.560 -28.633 73.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -68.971 -28.086 73.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -69.304 -29.751 73.585 1.00 0.00 H new ATOM 252 N ARG A 18 -64.931 -25.900 74.331 1.00 0.00 N ATOM 253 CA ARG A 18 -64.430 -24.518 74.472 1.00 0.00 C ATOM 254 C ARG A 18 -64.810 -23.977 75.845 1.00 0.00 C ATOM 255 O ARG A 18 -65.915 -23.525 76.071 1.00 0.00 O ATOM 256 CB ARG A 18 -65.044 -23.632 73.381 1.00 0.00 C ATOM 257 CG ARG A 18 -64.390 -22.244 73.471 1.00 0.00 C ATOM 258 CD ARG A 18 -64.953 -21.344 72.371 1.00 0.00 C ATOM 259 NE ARG A 18 -64.241 -20.026 72.458 1.00 0.00 N ATOM 260 CZ ARG A 18 -64.883 -18.915 72.722 1.00 0.00 C ATOM 261 NH1 ARG A 18 -65.711 -18.436 71.835 1.00 0.00 N ATOM 262 NH2 ARG A 18 -64.673 -18.326 73.868 1.00 0.00 N ATOM 0 H ARG A 18 -65.775 -25.985 73.765 1.00 0.00 H new ATOM 0 HA ARG A 18 -63.345 -24.515 74.369 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -64.876 -24.069 72.397 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -66.123 -23.554 73.516 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -64.580 -21.803 74.450 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -63.309 -22.332 73.366 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -64.803 -21.797 71.391 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -66.027 -21.209 72.499 1.00 0.00 H new ATOM 0 HE ARG A 18 -63.233 -19.994 72.308 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -65.851 -18.926 70.951 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -66.219 -17.572 72.025 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -64.019 -18.732 74.538 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -65.163 -17.460 74.094 1.00 0.00 H new ATOM 276 N GLY A 19 -63.856 -24.043 76.733 1.00 0.00 N ATOM 277 CA GLY A 19 -64.047 -23.563 78.136 1.00 0.00 C ATOM 278 C GLY A 19 -63.679 -24.685 79.107 1.00 0.00 C ATOM 279 O GLY A 19 -63.931 -24.592 80.292 1.00 0.00 O ATOM 0 H GLY A 19 -62.927 -24.419 76.541 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -63.425 -22.687 78.321 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -65.082 -23.257 78.291 1.00 0.00 H new ATOM 283 N GLN A 20 -63.086 -25.730 78.585 1.00 0.00 N ATOM 284 CA GLN A 20 -62.671 -26.895 79.437 1.00 0.00 C ATOM 285 C GLN A 20 -61.150 -26.987 79.415 1.00 0.00 C ATOM 286 O GLN A 20 -60.481 -26.271 78.697 1.00 0.00 O ATOM 287 CB GLN A 20 -63.231 -28.195 78.875 1.00 0.00 C ATOM 288 CG GLN A 20 -64.753 -28.246 78.984 1.00 0.00 C ATOM 289 CD GLN A 20 -65.172 -28.392 80.450 1.00 0.00 C ATOM 290 OE1 GLN A 20 -65.086 -27.474 81.241 1.00 0.00 O ATOM 291 NE2 GLN A 20 -65.632 -29.548 80.849 1.00 0.00 N ATOM 0 H GLN A 20 -62.868 -25.829 77.594 1.00 0.00 H new ATOM 0 HA GLN A 20 -63.048 -26.748 80.449 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -62.937 -28.297 77.830 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -62.799 -29.040 79.411 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -65.186 -27.339 78.563 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -65.139 -29.083 78.402 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -65.707 -30.322 80.189 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -65.917 -29.676 81.820 1.00 0.00 H new ATOM 300 N THR A 21 -60.639 -27.883 80.216 1.00 0.00 N ATOM 301 CA THR A 21 -59.160 -28.101 80.309 1.00 0.00 C ATOM 302 C THR A 21 -58.890 -29.579 80.031 1.00 0.00 C ATOM 303 O THR A 21 -59.251 -30.430 80.817 1.00 0.00 O ATOM 304 CB THR A 21 -58.682 -27.741 81.707 1.00 0.00 C ATOM 305 OG1 THR A 21 -59.042 -26.374 81.860 1.00 0.00 O ATOM 306 CG2 THR A 21 -57.152 -27.733 81.755 1.00 0.00 C ATOM 0 H THR A 21 -61.193 -28.487 80.823 1.00 0.00 H new ATOM 0 HA THR A 21 -58.631 -27.477 79.589 1.00 0.00 H new ATOM 0 HB THR A 21 -59.091 -28.431 82.445 1.00 0.00 H new ATOM 0 HG1 THR A 21 -58.767 -26.061 82.747 1.00 0.00 H new ATOM 0 HG21 THR A 21 -56.821 -27.474 82.761 1.00 0.00 H new ATOM 0 HG22 THR A 21 -56.775 -28.721 81.492 1.00 0.00 H new ATOM 0 HG23 THR A 21 -56.770 -26.998 81.047 1.00 0.00 H new ATOM 314 N CYS A 22 -58.259 -29.854 78.924 1.00 0.00 N ATOM 315 CA CYS A 22 -57.966 -31.277 78.588 1.00 0.00 C ATOM 316 C CYS A 22 -56.908 -31.783 79.559 1.00 0.00 C ATOM 317 O CYS A 22 -56.037 -31.048 79.974 1.00 0.00 O ATOM 318 CB CYS A 22 -57.412 -31.360 77.157 1.00 0.00 C ATOM 319 SG CYS A 22 -58.289 -30.473 75.848 1.00 0.00 S ATOM 0 H CYS A 22 -57.936 -29.165 78.244 1.00 0.00 H new ATOM 0 HA CYS A 22 -58.873 -31.877 78.660 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -56.385 -30.995 77.176 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -57.371 -32.412 76.876 1.00 0.00 H new ATOM 0 HG CYS A 22 -57.428 -29.961 75.019 1.00 0.00 H new ATOM 325 N VAL A 23 -57.028 -33.036 79.888 1.00 0.00 N ATOM 326 CA VAL A 23 -56.073 -33.711 80.821 1.00 0.00 C ATOM 327 C VAL A 23 -55.486 -34.786 79.919 1.00 0.00 C ATOM 328 O VAL A 23 -56.136 -35.782 79.665 1.00 0.00 O ATOM 329 CB VAL A 23 -56.856 -34.308 81.987 1.00 0.00 C ATOM 330 CG1 VAL A 23 -55.905 -34.990 82.959 1.00 0.00 C ATOM 331 CG2 VAL A 23 -57.541 -33.168 82.726 1.00 0.00 C ATOM 0 H VAL A 23 -57.770 -33.643 79.540 1.00 0.00 H new ATOM 0 HA VAL A 23 -55.314 -33.070 81.270 1.00 0.00 H new ATOM 0 HB VAL A 23 -57.577 -35.033 81.609 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -56.473 -35.413 83.788 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -55.367 -35.786 82.444 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -55.192 -34.260 83.343 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -58.109 -33.568 83.566 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -56.789 -32.470 83.095 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -58.216 -32.648 82.047 1.00 0.00 H new ATOM 341 N VAL A 24 -54.279 -34.548 79.450 1.00 0.00 N ATOM 342 CA VAL A 24 -53.575 -35.517 78.534 1.00 0.00 C ATOM 343 C VAL A 24 -52.191 -35.993 79.016 1.00 0.00 C ATOM 344 O VAL A 24 -51.509 -35.314 79.757 1.00 0.00 O ATOM 345 CB VAL A 24 -53.402 -34.833 77.143 1.00 0.00 C ATOM 346 CG1 VAL A 24 -54.704 -34.136 76.747 1.00 0.00 C ATOM 347 CG2 VAL A 24 -52.345 -33.684 77.142 1.00 0.00 C ATOM 0 H VAL A 24 -53.741 -33.709 79.666 1.00 0.00 H new ATOM 0 HA VAL A 24 -54.201 -36.409 78.501 1.00 0.00 H new ATOM 0 HB VAL A 24 -53.098 -35.635 76.470 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -54.580 -33.659 75.775 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -55.507 -34.870 76.691 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -54.954 -33.381 77.492 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -52.277 -33.253 76.143 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -52.646 -32.912 77.850 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -51.373 -34.083 77.432 1.00 0.00 H new ATOM 357 N HIS A 25 -51.838 -37.169 78.554 1.00 0.00 N ATOM 358 CA HIS A 25 -50.518 -37.813 78.892 1.00 0.00 C ATOM 359 C HIS A 25 -49.947 -38.261 77.559 1.00 0.00 C ATOM 360 O HIS A 25 -50.516 -39.095 76.883 1.00 0.00 O ATOM 361 CB HIS A 25 -50.699 -39.049 79.808 1.00 0.00 C ATOM 362 CG HIS A 25 -49.413 -39.885 79.865 1.00 0.00 C ATOM 363 ND1 HIS A 25 -49.355 -41.109 80.275 1.00 0.00 N ATOM 364 CD2 HIS A 25 -48.104 -39.579 79.527 1.00 0.00 C ATOM 365 CE1 HIS A 25 -48.135 -41.537 80.206 1.00 0.00 C ATOM 366 NE2 HIS A 25 -47.324 -40.618 79.747 1.00 0.00 N ATOM 0 H HIS A 25 -52.426 -37.730 77.937 1.00 0.00 H new ATOM 0 HA HIS A 25 -49.873 -37.116 79.427 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -50.971 -38.725 80.813 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -51.520 -39.663 79.438 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -47.772 -38.627 79.140 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -47.824 -42.531 80.492 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -46.318 -40.690 79.594 1.00 0.00 H new ATOM 374 N TYR A 26 -48.826 -37.696 77.201 1.00 0.00 N ATOM 375 CA TYR A 26 -48.162 -38.047 75.904 1.00 0.00 C ATOM 376 C TYR A 26 -46.666 -38.340 76.018 1.00 0.00 C ATOM 377 O TYR A 26 -46.052 -38.248 77.061 1.00 0.00 O ATOM 378 CB TYR A 26 -48.357 -36.893 74.985 1.00 0.00 C ATOM 379 CG TYR A 26 -47.683 -35.688 75.652 1.00 0.00 C ATOM 380 CD1 TYR A 26 -46.346 -35.387 75.440 1.00 0.00 C ATOM 381 CD2 TYR A 26 -48.428 -34.886 76.482 1.00 0.00 C ATOM 382 CE1 TYR A 26 -45.772 -34.288 76.055 1.00 0.00 C ATOM 383 CE2 TYR A 26 -47.855 -33.799 77.084 1.00 0.00 C ATOM 384 CZ TYR A 26 -46.531 -33.488 76.880 1.00 0.00 C ATOM 385 OH TYR A 26 -45.970 -32.387 77.493 1.00 0.00 O ATOM 0 H TYR A 26 -48.333 -36.997 77.756 1.00 0.00 H new ATOM 0 HA TYR A 26 -48.618 -38.968 75.541 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -47.914 -37.095 74.010 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -49.418 -36.703 74.821 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -45.750 -36.013 74.792 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -49.469 -35.114 76.660 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -44.730 -34.058 75.888 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -48.453 -33.174 77.731 1.00 0.00 H new ATOM 0 HH TYR A 26 -46.648 -31.935 78.038 1.00 0.00 H new ATOM 395 N THR A 27 -46.151 -38.692 74.874 1.00 0.00 N ATOM 396 CA THR A 27 -44.713 -39.013 74.711 1.00 0.00 C ATOM 397 C THR A 27 -44.391 -38.282 73.408 1.00 0.00 C ATOM 398 O THR A 27 -45.040 -38.514 72.405 1.00 0.00 O ATOM 399 CB THR A 27 -44.545 -40.507 74.557 1.00 0.00 C ATOM 400 OG1 THR A 27 -45.102 -41.048 75.746 1.00 0.00 O ATOM 401 CG2 THR A 27 -43.066 -40.891 74.616 1.00 0.00 C ATOM 0 H THR A 27 -46.693 -38.772 74.014 1.00 0.00 H new ATOM 0 HA THR A 27 -44.073 -38.723 75.545 1.00 0.00 H new ATOM 0 HB THR A 27 -44.989 -40.848 73.622 1.00 0.00 H new ATOM 0 HG1 THR A 27 -45.033 -42.025 75.724 1.00 0.00 H new ATOM 0 HG21 THR A 27 -42.966 -41.970 74.503 1.00 0.00 H new ATOM 0 HG22 THR A 27 -42.528 -40.391 73.811 1.00 0.00 H new ATOM 0 HG23 THR A 27 -42.649 -40.586 75.576 1.00 0.00 H new ATOM 409 N GLY A 28 -43.412 -37.415 73.425 1.00 0.00 N ATOM 410 CA GLY A 28 -43.046 -36.660 72.180 1.00 0.00 C ATOM 411 C GLY A 28 -41.723 -37.148 71.602 1.00 0.00 C ATOM 412 O GLY A 28 -40.676 -37.036 72.208 1.00 0.00 O ATOM 0 H GLY A 28 -42.848 -37.194 74.245 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -43.835 -36.777 71.437 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -42.976 -35.596 72.405 1.00 0.00 H new ATOM 416 N MET A 29 -41.830 -37.689 70.418 1.00 0.00 N ATOM 417 CA MET A 29 -40.658 -38.229 69.674 1.00 0.00 C ATOM 418 C MET A 29 -40.668 -37.525 68.327 1.00 0.00 C ATOM 419 O MET A 29 -41.541 -36.726 68.048 1.00 0.00 O ATOM 420 CB MET A 29 -40.828 -39.737 69.494 1.00 0.00 C ATOM 421 CG MET A 29 -40.924 -40.385 70.878 1.00 0.00 C ATOM 422 SD MET A 29 -41.136 -42.182 70.944 1.00 0.00 S ATOM 423 CE MET A 29 -39.382 -42.626 70.960 1.00 0.00 C ATOM 0 H MET A 29 -42.715 -37.781 69.920 1.00 0.00 H new ATOM 0 HA MET A 29 -39.717 -38.062 70.199 1.00 0.00 H new ATOM 0 HB2 MET A 29 -41.725 -39.950 68.913 1.00 0.00 H new ATOM 0 HB3 MET A 29 -39.985 -40.150 68.940 1.00 0.00 H new ATOM 0 HG2 MET A 29 -40.020 -40.132 71.432 1.00 0.00 H new ATOM 0 HG3 MET A 29 -41.760 -39.928 71.407 1.00 0.00 H new ATOM 0 HE1 MET A 29 -39.282 -43.711 71.000 1.00 0.00 H new ATOM 0 HE2 MET A 29 -38.903 -42.250 70.056 1.00 0.00 H new ATOM 0 HE3 MET A 29 -38.903 -42.185 71.834 1.00 0.00 H new ATOM 694 N PHE A 46 -49.841 -33.631 81.486 1.00 0.00 N ATOM 695 CA PHE A 46 -50.087 -32.193 81.152 1.00 0.00 C ATOM 696 C PHE A 46 -51.574 -31.818 81.188 1.00 0.00 C ATOM 697 O PHE A 46 -52.438 -32.666 81.089 1.00 0.00 O ATOM 698 CB PHE A 46 -49.506 -32.049 79.817 1.00 0.00 C ATOM 699 CG PHE A 46 -49.558 -30.662 79.223 1.00 0.00 C ATOM 700 CD1 PHE A 46 -48.845 -29.664 79.828 1.00 0.00 C ATOM 701 CD2 PHE A 46 -50.296 -30.399 78.097 1.00 0.00 C ATOM 702 CE1 PHE A 46 -48.863 -28.384 79.315 1.00 0.00 C ATOM 703 CE2 PHE A 46 -50.320 -29.128 77.577 1.00 0.00 C ATOM 704 CZ PHE A 46 -49.605 -28.115 78.183 1.00 0.00 C ATOM 0 HA PHE A 46 -49.641 -31.517 81.881 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -48.464 -32.367 79.859 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -50.021 -32.732 79.142 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -48.264 -29.880 80.713 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -50.857 -31.189 77.621 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -48.300 -27.598 79.796 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -50.901 -28.920 76.690 1.00 0.00 H new ATOM 0 HZ PHE A 46 -49.626 -27.116 77.773 1.00 0.00 H new ATOM 714 N LYS A 47 -51.833 -30.542 81.328 1.00 0.00 N ATOM 715 CA LYS A 47 -53.245 -30.037 81.373 1.00 0.00 C ATOM 716 C LYS A 47 -53.363 -28.679 80.667 1.00 0.00 C ATOM 717 O LYS A 47 -52.756 -27.722 81.105 1.00 0.00 O ATOM 718 CB LYS A 47 -53.686 -29.871 82.816 1.00 0.00 C ATOM 719 CG LYS A 47 -53.637 -31.243 83.502 1.00 0.00 C ATOM 720 CD LYS A 47 -54.258 -31.205 84.917 1.00 0.00 C ATOM 721 CE LYS A 47 -53.412 -30.363 85.887 1.00 0.00 C ATOM 722 NZ LYS A 47 -53.563 -28.908 85.606 1.00 0.00 N ATOM 0 H LYS A 47 -51.119 -29.818 81.414 1.00 0.00 H new ATOM 0 HA LYS A 47 -53.879 -30.763 80.864 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -53.034 -29.166 83.332 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -54.696 -29.462 82.859 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -54.169 -31.973 82.892 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -52.602 -31.578 83.569 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -55.266 -30.793 84.861 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -54.350 -32.221 85.302 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -53.714 -30.572 86.913 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -52.363 -30.646 85.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -52.689 -28.545 85.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -54.358 -28.761 84.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -53.747 -28.400 86.495 1.00 0.00 H new ATOM 736 N PHE A 48 -54.124 -28.588 79.601 1.00 0.00 N ATOM 737 CA PHE A 48 -54.259 -27.261 78.891 1.00 0.00 C ATOM 738 C PHE A 48 -55.706 -26.981 78.491 1.00 0.00 C ATOM 739 O PHE A 48 -56.549 -27.856 78.530 1.00 0.00 O ATOM 740 CB PHE A 48 -53.388 -27.235 77.620 1.00 0.00 C ATOM 741 CG PHE A 48 -53.929 -28.112 76.474 1.00 0.00 C ATOM 742 CD1 PHE A 48 -53.814 -29.493 76.490 1.00 0.00 C ATOM 743 CD2 PHE A 48 -54.541 -27.507 75.386 1.00 0.00 C ATOM 744 CE1 PHE A 48 -54.301 -30.244 75.433 1.00 0.00 C ATOM 745 CE2 PHE A 48 -55.027 -28.261 74.334 1.00 0.00 C ATOM 746 CZ PHE A 48 -54.905 -29.630 74.362 1.00 0.00 C ATOM 0 H PHE A 48 -54.653 -29.359 79.192 1.00 0.00 H new ATOM 0 HA PHE A 48 -53.927 -26.493 79.590 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -53.305 -26.206 77.269 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -52.381 -27.567 77.874 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -53.344 -29.985 77.329 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -54.639 -26.432 75.360 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -54.205 -31.320 75.451 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -55.501 -27.776 73.493 1.00 0.00 H new ATOM 0 HZ PHE A 48 -55.284 -30.223 73.543 1.00 0.00 H new ATOM 756 N MET A 49 -55.952 -25.752 78.109 1.00 0.00 N ATOM 757 CA MET A 49 -57.313 -25.307 77.687 1.00 0.00 C ATOM 758 C MET A 49 -57.365 -24.844 76.226 1.00 0.00 C ATOM 759 O MET A 49 -56.435 -24.258 75.709 1.00 0.00 O ATOM 760 CB MET A 49 -57.694 -24.215 78.642 1.00 0.00 C ATOM 761 CG MET A 49 -58.938 -23.462 78.194 1.00 0.00 C ATOM 762 SD MET A 49 -58.760 -22.305 76.813 1.00 0.00 S ATOM 763 CE MET A 49 -58.368 -20.829 77.786 1.00 0.00 C ATOM 0 H MET A 49 -55.244 -25.019 78.072 1.00 0.00 H new ATOM 0 HA MET A 49 -58.020 -26.136 77.725 1.00 0.00 H new ATOM 0 HB2 MET A 49 -57.867 -24.643 79.629 1.00 0.00 H new ATOM 0 HB3 MET A 49 -56.864 -23.515 78.739 1.00 0.00 H new ATOM 0 HG2 MET A 49 -59.697 -24.196 77.923 1.00 0.00 H new ATOM 0 HG3 MET A 49 -59.323 -22.908 79.050 1.00 0.00 H new ATOM 0 HE1 MET A 49 -58.217 -19.982 77.117 1.00 0.00 H new ATOM 0 HE2 MET A 49 -59.192 -20.612 78.466 1.00 0.00 H new ATOM 0 HE3 MET A 49 -57.459 -21.003 78.361 1.00 0.00 H new ATOM 773 N LEU A 50 -58.481 -25.134 75.603 1.00 0.00 N ATOM 774 CA LEU A 50 -58.738 -24.777 74.184 1.00 0.00 C ATOM 775 C LEU A 50 -59.410 -23.401 74.064 1.00 0.00 C ATOM 776 O LEU A 50 -60.345 -23.105 74.781 1.00 0.00 O ATOM 777 CB LEU A 50 -59.627 -25.886 73.637 1.00 0.00 C ATOM 778 CG LEU A 50 -60.194 -25.584 72.246 1.00 0.00 C ATOM 779 CD1 LEU A 50 -59.062 -25.421 71.249 1.00 0.00 C ATOM 780 CD2 LEU A 50 -61.071 -26.763 71.816 1.00 0.00 C ATOM 0 H LEU A 50 -59.256 -25.627 76.048 1.00 0.00 H new ATOM 0 HA LEU A 50 -57.810 -24.698 73.618 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -59.054 -26.812 73.594 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -60.453 -26.054 74.329 1.00 0.00 H new ATOM 0 HG LEU A 50 -60.776 -24.663 72.278 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -59.474 -25.207 70.263 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -58.419 -24.598 71.560 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -58.479 -26.341 71.207 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -61.485 -26.567 70.827 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -60.469 -27.671 71.784 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -61.884 -26.891 72.530 1.00 0.00 H new ATOM 792 N GLY A 51 -58.930 -22.589 73.158 1.00 0.00 N ATOM 793 CA GLY A 51 -59.513 -21.226 72.956 1.00 0.00 C ATOM 794 C GLY A 51 -58.377 -20.214 72.885 1.00 0.00 C ATOM 795 O GLY A 51 -58.449 -19.239 72.164 1.00 0.00 O ATOM 0 H GLY A 51 -58.149 -22.814 72.541 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -60.101 -21.199 72.039 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -60.188 -20.979 73.775 1.00 0.00 H new ATOM 799 N LYS A 52 -57.342 -20.472 73.643 1.00 0.00 N ATOM 800 CA LYS A 52 -56.155 -19.563 73.677 1.00 0.00 C ATOM 801 C LYS A 52 -54.910 -20.367 73.296 1.00 0.00 C ATOM 802 O LYS A 52 -53.878 -20.248 73.926 1.00 0.00 O ATOM 803 CB LYS A 52 -56.060 -19.025 75.085 1.00 0.00 C ATOM 804 CG LYS A 52 -55.138 -17.798 75.119 1.00 0.00 C ATOM 805 CD LYS A 52 -55.076 -17.262 76.549 1.00 0.00 C ATOM 806 CE LYS A 52 -54.239 -15.980 76.545 1.00 0.00 C ATOM 807 NZ LYS A 52 -54.153 -15.426 77.926 1.00 0.00 N ATOM 0 H LYS A 52 -57.268 -21.288 74.250 1.00 0.00 H new ATOM 0 HA LYS A 52 -56.243 -18.735 72.973 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -57.052 -18.755 75.447 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -55.676 -19.797 75.753 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -54.140 -18.068 74.774 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -55.511 -17.028 74.444 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -56.080 -17.059 76.922 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -54.632 -18.003 77.214 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -53.239 -16.189 76.165 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -54.687 -15.245 75.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -53.583 -14.556 77.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -55.109 -15.210 78.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -53.706 -16.125 78.553 1.00 0.00 H new ATOM 821 N GLN A 53 -55.096 -21.151 72.265 1.00 0.00 N ATOM 822 CA GLN A 53 -54.049 -22.045 71.679 1.00 0.00 C ATOM 823 C GLN A 53 -52.734 -22.057 72.456 1.00 0.00 C ATOM 824 O GLN A 53 -51.683 -21.742 71.935 1.00 0.00 O ATOM 825 CB GLN A 53 -53.795 -21.592 70.248 1.00 0.00 C ATOM 826 CG GLN A 53 -55.154 -21.391 69.566 1.00 0.00 C ATOM 827 CD GLN A 53 -54.931 -21.117 68.078 1.00 0.00 C ATOM 828 OE1 GLN A 53 -55.862 -20.905 67.326 1.00 0.00 O ATOM 829 NE2 GLN A 53 -53.712 -21.115 67.612 1.00 0.00 N ATOM 0 H GLN A 53 -55.989 -21.209 71.776 1.00 0.00 H new ATOM 0 HA GLN A 53 -54.427 -23.066 71.725 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -53.223 -20.664 70.238 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -53.206 -22.336 69.712 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -55.775 -22.277 69.696 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -55.686 -20.558 70.026 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -52.926 -21.292 68.238 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -53.545 -20.936 66.622 1.00 0.00 H new ATOM 838 N GLU A 54 -52.844 -22.430 73.700 1.00 0.00 N ATOM 839 CA GLU A 54 -51.634 -22.483 74.565 1.00 0.00 C ATOM 840 C GLU A 54 -50.660 -23.530 74.027 1.00 0.00 C ATOM 841 O GLU A 54 -49.494 -23.533 74.367 1.00 0.00 O ATOM 842 CB GLU A 54 -52.061 -22.843 75.986 1.00 0.00 C ATOM 843 CG GLU A 54 -53.027 -21.768 76.488 1.00 0.00 C ATOM 844 CD GLU A 54 -53.465 -22.117 77.911 1.00 0.00 C ATOM 845 OE1 GLU A 54 -52.578 -22.193 78.745 1.00 0.00 O ATOM 846 OE2 GLU A 54 -54.661 -22.286 78.080 1.00 0.00 O ATOM 0 H GLU A 54 -53.717 -22.700 74.154 1.00 0.00 H new ATOM 0 HA GLU A 54 -51.136 -21.514 74.568 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -52.541 -23.821 76.001 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -51.191 -22.905 76.639 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -52.544 -20.791 76.472 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -53.895 -21.706 75.832 1.00 0.00 H new ATOM 853 N VAL A 55 -51.162 -24.405 73.192 1.00 0.00 N ATOM 854 CA VAL A 55 -50.303 -25.487 72.594 1.00 0.00 C ATOM 855 C VAL A 55 -50.252 -25.317 71.076 1.00 0.00 C ATOM 856 O VAL A 55 -51.108 -24.672 70.503 1.00 0.00 O ATOM 857 CB VAL A 55 -50.916 -26.847 72.958 1.00 0.00 C ATOM 858 CG1 VAL A 55 -51.026 -26.941 74.467 1.00 0.00 C ATOM 859 CG2 VAL A 55 -52.331 -26.996 72.387 1.00 0.00 C ATOM 0 H VAL A 55 -52.137 -24.421 72.893 1.00 0.00 H new ATOM 0 HA VAL A 55 -49.287 -25.427 72.984 1.00 0.00 H new ATOM 0 HB VAL A 55 -50.276 -27.626 72.544 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -51.460 -27.903 74.741 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -50.034 -26.851 74.910 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -51.663 -26.137 74.836 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -52.734 -27.970 72.664 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -52.970 -26.211 72.790 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -52.296 -26.913 71.301 1.00 0.00 H new ATOM 869 N ILE A 56 -49.261 -25.889 70.437 1.00 0.00 N ATOM 870 CA ILE A 56 -49.188 -25.744 68.948 1.00 0.00 C ATOM 871 C ILE A 56 -50.544 -26.144 68.352 1.00 0.00 C ATOM 872 O ILE A 56 -51.435 -26.538 69.077 1.00 0.00 O ATOM 873 CB ILE A 56 -48.068 -26.652 68.383 1.00 0.00 C ATOM 874 CG1 ILE A 56 -48.306 -28.074 68.939 1.00 0.00 C ATOM 875 CG2 ILE A 56 -46.679 -26.067 68.776 1.00 0.00 C ATOM 876 CD1 ILE A 56 -47.238 -29.050 68.447 1.00 0.00 C ATOM 0 H ILE A 56 -48.516 -26.437 70.868 1.00 0.00 H new ATOM 0 HA ILE A 56 -48.959 -24.711 68.685 1.00 0.00 H new ATOM 0 HB ILE A 56 -48.084 -26.698 67.294 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -48.301 -28.046 70.029 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -49.291 -28.426 68.633 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -45.890 -26.705 68.379 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -46.577 -25.064 68.363 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -46.597 -26.022 69.862 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -47.434 -30.041 68.856 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -47.261 -29.096 67.358 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -46.256 -28.710 68.775 1.00 0.00 H new ATOM 888 N ARG A 57 -50.698 -26.048 67.059 1.00 0.00 N ATOM 889 CA ARG A 57 -51.987 -26.417 66.434 1.00 0.00 C ATOM 890 C ARG A 57 -52.135 -27.932 66.392 1.00 0.00 C ATOM 891 O ARG A 57 -53.085 -28.452 66.944 1.00 0.00 O ATOM 892 CB ARG A 57 -52.020 -25.832 65.025 1.00 0.00 C ATOM 893 CG ARG A 57 -53.429 -25.968 64.448 1.00 0.00 C ATOM 894 CD ARG A 57 -53.454 -25.268 63.086 1.00 0.00 C ATOM 895 NE ARG A 57 -53.091 -23.829 63.302 1.00 0.00 N ATOM 896 CZ ARG A 57 -53.899 -22.859 62.956 1.00 0.00 C ATOM 897 NH1 ARG A 57 -54.399 -22.856 61.751 1.00 0.00 N ATOM 898 NH2 ARG A 57 -54.177 -21.928 63.827 1.00 0.00 N ATOM 0 H ARG A 57 -49.979 -25.727 66.411 1.00 0.00 H new ATOM 0 HA ARG A 57 -52.817 -26.018 67.017 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -51.725 -24.783 65.049 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -51.303 -26.350 64.388 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -53.697 -27.019 64.341 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -54.161 -25.520 65.120 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -52.750 -25.741 62.401 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -54.442 -25.349 62.633 1.00 0.00 H new ATOM 0 HE ARG A 57 -52.193 -23.601 63.729 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -54.158 -23.601 61.097 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -55.031 -22.109 61.463 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -53.767 -21.964 64.760 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -54.805 -21.165 63.575 1.00 0.00 H new ATOM 912 N GLY A 58 -51.206 -28.585 65.734 1.00 0.00 N ATOM 913 CA GLY A 58 -51.202 -30.077 65.611 1.00 0.00 C ATOM 914 C GLY A 58 -51.873 -30.756 66.799 1.00 0.00 C ATOM 915 O GLY A 58 -52.516 -31.775 66.667 1.00 0.00 O ATOM 0 H GLY A 58 -50.425 -28.129 65.262 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -51.715 -30.365 64.693 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -50.174 -30.430 65.526 1.00 0.00 H new ATOM 919 N TRP A 59 -51.688 -30.147 67.942 1.00 0.00 N ATOM 920 CA TRP A 59 -52.286 -30.686 69.197 1.00 0.00 C ATOM 921 C TRP A 59 -53.729 -30.205 69.192 1.00 0.00 C ATOM 922 O TRP A 59 -54.643 -30.969 68.962 1.00 0.00 O ATOM 923 CB TRP A 59 -51.551 -30.095 70.432 1.00 0.00 C ATOM 924 CG TRP A 59 -50.652 -31.100 71.148 1.00 0.00 C ATOM 925 CD1 TRP A 59 -49.696 -31.813 70.529 1.00 0.00 C ATOM 926 CD2 TRP A 59 -50.632 -31.380 72.471 1.00 0.00 C ATOM 927 NE1 TRP A 59 -49.133 -32.489 71.508 1.00 0.00 N ATOM 928 CE2 TRP A 59 -49.624 -32.298 72.724 1.00 0.00 C ATOM 929 CE3 TRP A 59 -51.411 -30.932 73.524 1.00 0.00 C ATOM 930 CZ2 TRP A 59 -49.405 -32.743 74.016 1.00 0.00 C ATOM 931 CZ3 TRP A 59 -51.185 -31.382 74.787 1.00 0.00 C ATOM 932 CH2 TRP A 59 -50.183 -32.287 75.036 1.00 0.00 C ATOM 0 H TRP A 59 -51.144 -29.292 68.059 1.00 0.00 H new ATOM 0 HA TRP A 59 -52.209 -31.772 69.249 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -50.949 -29.244 70.113 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -52.291 -29.715 71.137 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -49.448 -31.828 69.478 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -48.357 -33.129 71.339 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -52.203 -30.221 73.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -48.616 -33.453 74.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -51.799 -31.025 75.601 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -50.012 -32.638 76.043 1.00 0.00 H new ATOM 943 N GLU A 60 -53.844 -28.924 69.457 1.00 0.00 N ATOM 944 CA GLU A 60 -55.154 -28.200 69.515 1.00 0.00 C ATOM 945 C GLU A 60 -56.236 -28.937 68.721 1.00 0.00 C ATOM 946 O GLU A 60 -57.270 -29.318 69.231 1.00 0.00 O ATOM 947 CB GLU A 60 -54.919 -26.816 68.953 1.00 0.00 C ATOM 948 CG GLU A 60 -56.128 -25.940 69.236 1.00 0.00 C ATOM 949 CD GLU A 60 -55.984 -24.656 68.419 1.00 0.00 C ATOM 950 OE1 GLU A 60 -54.906 -24.089 68.501 1.00 0.00 O ATOM 951 OE2 GLU A 60 -56.955 -24.319 67.761 1.00 0.00 O ATOM 0 H GLU A 60 -53.041 -28.324 69.644 1.00 0.00 H new ATOM 0 HA GLU A 60 -55.512 -28.145 70.543 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -54.027 -26.378 69.400 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -54.742 -26.874 67.879 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -57.047 -26.461 68.968 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -56.191 -25.710 70.300 1.00 0.00 H new ATOM 958 N GLU A 61 -55.915 -29.122 67.467 1.00 0.00 N ATOM 959 CA GLU A 61 -56.809 -29.811 66.527 1.00 0.00 C ATOM 960 C GLU A 61 -56.668 -31.303 66.810 1.00 0.00 C ATOM 961 O GLU A 61 -57.643 -31.998 67.015 1.00 0.00 O ATOM 962 CB GLU A 61 -56.371 -29.480 65.101 1.00 0.00 C ATOM 963 CG GLU A 61 -57.286 -30.204 64.114 1.00 0.00 C ATOM 964 CD GLU A 61 -56.864 -29.833 62.690 1.00 0.00 C ATOM 965 OE1 GLU A 61 -56.923 -28.649 62.403 1.00 0.00 O ATOM 966 OE2 GLU A 61 -56.509 -30.756 61.976 1.00 0.00 O ATOM 0 H GLU A 61 -55.036 -28.808 67.055 1.00 0.00 H new ATOM 0 HA GLU A 61 -57.848 -29.503 66.640 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -56.416 -28.404 64.935 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -55.336 -29.784 64.946 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -57.220 -31.282 64.259 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -58.325 -29.922 64.286 1.00 0.00 H new ATOM 973 N GLY A 62 -55.444 -31.764 66.816 1.00 0.00 N ATOM 974 CA GLY A 62 -55.206 -33.200 67.084 1.00 0.00 C ATOM 975 C GLY A 62 -55.960 -33.631 68.337 1.00 0.00 C ATOM 976 O GLY A 62 -56.963 -34.309 68.278 1.00 0.00 O ATOM 0 H GLY A 62 -54.607 -31.206 66.647 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -55.531 -33.796 66.231 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -54.139 -33.382 67.212 1.00 0.00 H new ATOM 980 N VAL A 63 -55.454 -33.226 69.467 1.00 0.00 N ATOM 981 CA VAL A 63 -56.126 -33.595 70.738 1.00 0.00 C ATOM 982 C VAL A 63 -57.642 -33.419 70.649 1.00 0.00 C ATOM 983 O VAL A 63 -58.370 -34.323 71.001 1.00 0.00 O ATOM 984 CB VAL A 63 -55.574 -32.727 71.859 1.00 0.00 C ATOM 985 CG1 VAL A 63 -56.176 -33.265 73.165 1.00 0.00 C ATOM 986 CG2 VAL A 63 -54.017 -32.790 71.886 1.00 0.00 C ATOM 0 H VAL A 63 -54.611 -32.660 69.564 1.00 0.00 H new ATOM 0 HA VAL A 63 -55.928 -34.648 70.938 1.00 0.00 H new ATOM 0 HB VAL A 63 -55.840 -31.680 71.716 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -55.810 -32.674 74.005 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -57.263 -33.197 73.120 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -55.883 -34.306 73.299 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -53.641 -32.163 72.694 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -53.697 -33.820 72.047 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -53.622 -32.432 70.935 1.00 0.00 H new ATOM 996 N ALA A 64 -58.100 -32.277 70.207 1.00 0.00 N ATOM 997 CA ALA A 64 -59.581 -32.084 70.103 1.00 0.00 C ATOM 998 C ALA A 64 -60.263 -33.300 69.495 1.00 0.00 C ATOM 999 O ALA A 64 -61.082 -33.980 70.077 1.00 0.00 O ATOM 1000 CB ALA A 64 -59.882 -30.894 69.212 1.00 0.00 C ATOM 0 H ALA A 64 -57.528 -31.483 69.918 1.00 0.00 H new ATOM 0 HA ALA A 64 -59.958 -31.926 71.113 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -60.961 -30.758 69.139 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -59.431 -29.998 69.637 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -59.471 -31.070 68.218 1.00 0.00 H new ATOM 1006 N GLN A 65 -59.830 -33.478 68.288 1.00 0.00 N ATOM 1007 CA GLN A 65 -60.272 -34.557 67.388 1.00 0.00 C ATOM 1008 C GLN A 65 -60.286 -35.873 68.150 1.00 0.00 C ATOM 1009 O GLN A 65 -60.851 -36.845 67.688 1.00 0.00 O ATOM 1010 CB GLN A 65 -59.293 -34.489 66.212 1.00 0.00 C ATOM 1011 CG GLN A 65 -59.759 -35.233 64.970 1.00 0.00 C ATOM 1012 CD GLN A 65 -58.777 -34.879 63.832 1.00 0.00 C ATOM 1013 OE1 GLN A 65 -58.840 -35.438 62.756 1.00 0.00 O ATOM 1014 NE2 GLN A 65 -57.858 -33.960 64.025 1.00 0.00 N ATOM 0 H GLN A 65 -59.133 -32.867 67.863 1.00 0.00 H new ATOM 0 HA GLN A 65 -61.290 -34.460 67.011 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -59.124 -33.443 65.954 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -58.333 -34.898 66.528 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -59.771 -36.308 65.147 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -60.776 -34.942 64.706 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -57.795 -33.483 64.924 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -57.208 -33.723 63.275 1.00 0.00 H new ATOM 1023 N MET A 66 -59.666 -35.900 69.308 1.00 0.00 N ATOM 1024 CA MET A 66 -59.673 -37.196 70.090 1.00 0.00 C ATOM 1025 C MET A 66 -60.773 -37.128 71.158 1.00 0.00 C ATOM 1026 O MET A 66 -61.188 -36.055 71.545 1.00 0.00 O ATOM 1027 CB MET A 66 -58.349 -37.423 70.817 1.00 0.00 C ATOM 1028 CG MET A 66 -57.164 -37.469 69.843 1.00 0.00 C ATOM 1029 SD MET A 66 -55.654 -38.285 70.427 1.00 0.00 S ATOM 1030 CE MET A 66 -55.575 -37.625 72.113 1.00 0.00 C ATOM 0 H MET A 66 -59.172 -35.118 69.739 1.00 0.00 H new ATOM 0 HA MET A 66 -59.840 -38.008 69.382 1.00 0.00 H new ATOM 0 HB2 MET A 66 -58.192 -36.625 71.543 1.00 0.00 H new ATOM 0 HB3 MET A 66 -58.397 -38.358 71.376 1.00 0.00 H new ATOM 0 HG2 MET A 66 -57.492 -37.972 68.933 1.00 0.00 H new ATOM 0 HG3 MET A 66 -56.911 -36.445 69.567 1.00 0.00 H new ATOM 0 HE1 MET A 66 -54.698 -38.027 72.621 1.00 0.00 H new ATOM 0 HE2 MET A 66 -55.505 -36.538 72.075 1.00 0.00 H new ATOM 0 HE3 MET A 66 -56.474 -37.912 72.659 1.00 0.00 H new ATOM 1040 N SER A 67 -61.222 -38.270 71.625 1.00 0.00 N ATOM 1041 CA SER A 67 -62.308 -38.310 72.671 1.00 0.00 C ATOM 1042 C SER A 67 -61.863 -38.955 73.984 1.00 0.00 C ATOM 1043 O SER A 67 -61.024 -39.832 74.030 1.00 0.00 O ATOM 1044 CB SER A 67 -63.493 -39.101 72.130 1.00 0.00 C ATOM 1045 OG SER A 67 -62.946 -40.390 71.891 1.00 0.00 O ATOM 0 H SER A 67 -60.883 -39.185 71.327 1.00 0.00 H new ATOM 0 HA SER A 67 -62.572 -37.275 72.886 1.00 0.00 H new ATOM 0 HB2 SER A 67 -64.312 -39.139 72.848 1.00 0.00 H new ATOM 0 HB3 SER A 67 -63.889 -38.657 71.217 1.00 0.00 H new ATOM 0 HG SER A 67 -63.643 -40.981 71.537 1.00 0.00 H new ATOM 1051 N VAL A 68 -62.479 -38.462 75.021 1.00 0.00 N ATOM 1052 CA VAL A 68 -62.205 -38.941 76.400 1.00 0.00 C ATOM 1053 C VAL A 68 -62.000 -40.450 76.505 1.00 0.00 C ATOM 1054 O VAL A 68 -62.955 -41.196 76.588 1.00 0.00 O ATOM 1055 CB VAL A 68 -63.378 -38.502 77.281 1.00 0.00 C ATOM 1056 CG1 VAL A 68 -63.223 -38.990 78.721 1.00 0.00 C ATOM 1057 CG2 VAL A 68 -63.444 -36.976 77.293 1.00 0.00 C ATOM 0 H VAL A 68 -63.182 -37.725 74.966 1.00 0.00 H new ATOM 0 HA VAL A 68 -61.262 -38.503 76.728 1.00 0.00 H new ATOM 0 HB VAL A 68 -64.288 -38.936 76.867 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -64.076 -38.657 79.312 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -63.176 -40.079 78.733 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -62.306 -38.583 79.146 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -64.276 -36.653 77.918 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -62.513 -36.575 77.693 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -63.590 -36.610 76.277 1.00 0.00 H new ATOM 1067 N GLY A 69 -60.769 -40.888 76.502 1.00 0.00 N ATOM 1068 CA GLY A 69 -60.490 -42.358 76.605 1.00 0.00 C ATOM 1069 C GLY A 69 -59.906 -42.841 75.289 1.00 0.00 C ATOM 1070 O GLY A 69 -59.754 -44.025 75.065 1.00 0.00 O ATOM 0 H GLY A 69 -59.942 -40.295 76.433 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -59.794 -42.553 77.421 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -61.408 -42.901 76.832 1.00 0.00 H new ATOM 1074 N GLN A 70 -59.589 -41.901 74.439 1.00 0.00 N ATOM 1075 CA GLN A 70 -58.999 -42.257 73.104 1.00 0.00 C ATOM 1076 C GLN A 70 -57.493 -42.006 73.105 1.00 0.00 C ATOM 1077 O GLN A 70 -57.011 -41.046 73.671 1.00 0.00 O ATOM 1078 CB GLN A 70 -59.657 -41.396 72.012 1.00 0.00 C ATOM 1079 CG GLN A 70 -58.970 -41.675 70.661 1.00 0.00 C ATOM 1080 CD GLN A 70 -59.761 -41.012 69.532 1.00 0.00 C ATOM 1081 OE1 GLN A 70 -60.952 -41.206 69.393 1.00 0.00 O ATOM 1082 NE2 GLN A 70 -59.132 -40.226 68.701 1.00 0.00 N ATOM 0 H GLN A 70 -59.711 -40.902 74.606 1.00 0.00 H new ATOM 0 HA GLN A 70 -59.181 -43.313 72.907 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -60.721 -41.623 71.946 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -59.572 -40.339 72.265 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -57.949 -41.293 70.676 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -58.906 -42.750 70.490 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -58.132 -40.060 68.814 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -59.641 -39.778 67.939 1.00 0.00 H new ATOM 1091 N ARG A 71 -56.784 -42.898 72.457 1.00 0.00 N ATOM 1092 CA ARG A 71 -55.292 -42.788 72.359 1.00 0.00 C ATOM 1093 C ARG A 71 -54.923 -42.827 70.898 1.00 0.00 C ATOM 1094 O ARG A 71 -55.489 -43.567 70.115 1.00 0.00 O ATOM 1095 CB ARG A 71 -54.622 -43.950 73.049 1.00 0.00 C ATOM 1096 CG ARG A 71 -53.095 -43.847 72.934 1.00 0.00 C ATOM 1097 CD ARG A 71 -52.495 -45.039 73.678 1.00 0.00 C ATOM 1098 NE ARG A 71 -51.021 -45.059 73.407 1.00 0.00 N ATOM 1099 CZ ARG A 71 -50.146 -44.934 74.373 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -50.378 -45.528 75.511 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -49.074 -44.221 74.164 1.00 0.00 N ATOM 0 H ARG A 71 -57.181 -43.710 71.984 1.00 0.00 H new ATOM 0 HA ARG A 71 -54.966 -41.863 72.834 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -54.911 -43.970 74.100 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -54.962 -44.886 72.607 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -52.788 -43.854 71.888 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -52.741 -42.910 73.363 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -52.685 -44.955 74.748 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -52.957 -45.968 73.344 1.00 0.00 H new ATOM 0 HE ARG A 71 -50.692 -45.173 72.448 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -51.228 -46.077 75.636 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -49.709 -45.443 76.276 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -48.928 -43.772 73.260 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -48.381 -44.112 74.905 1.00 0.00 H new ATOM 1115 N ALA A 72 -53.952 -42.010 70.594 1.00 0.00 N ATOM 1116 CA ALA A 72 -53.466 -41.918 69.175 1.00 0.00 C ATOM 1117 C ALA A 72 -52.000 -41.567 68.999 1.00 0.00 C ATOM 1118 O ALA A 72 -51.276 -41.304 69.936 1.00 0.00 O ATOM 1119 CB ALA A 72 -54.275 -40.865 68.432 1.00 0.00 C ATOM 0 H ALA A 72 -53.472 -41.403 71.258 1.00 0.00 H new ATOM 0 HA ALA A 72 -53.595 -42.925 68.778 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -53.924 -40.796 67.402 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -55.329 -41.144 68.439 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -54.152 -39.899 68.922 1.00 0.00 H new ATOM 1125 N LYS A 73 -51.649 -41.589 67.741 1.00 0.00 N ATOM 1126 CA LYS A 73 -50.274 -41.277 67.259 1.00 0.00 C ATOM 1127 C LYS A 73 -50.495 -40.214 66.188 1.00 0.00 C ATOM 1128 O LYS A 73 -50.935 -40.507 65.094 1.00 0.00 O ATOM 1129 CB LYS A 73 -49.630 -42.527 66.654 1.00 0.00 C ATOM 1130 CG LYS A 73 -48.246 -42.132 66.114 1.00 0.00 C ATOM 1131 CD LYS A 73 -47.447 -43.373 65.665 1.00 0.00 C ATOM 1132 CE LYS A 73 -48.101 -44.056 64.454 1.00 0.00 C ATOM 1133 NZ LYS A 73 -48.297 -43.070 63.354 1.00 0.00 N ATOM 0 H LYS A 73 -52.298 -41.824 66.990 1.00 0.00 H new ATOM 0 HA LYS A 73 -49.609 -40.939 68.054 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -49.537 -43.310 67.406 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -50.252 -42.927 65.853 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -48.362 -41.448 65.274 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -47.691 -41.598 66.885 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -46.428 -43.079 65.412 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -47.379 -44.081 66.491 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -47.475 -44.878 64.108 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -49.060 -44.486 64.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -48.429 -43.575 62.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -49.138 -42.491 63.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -47.461 -42.455 63.286 1.00 0.00 H new ATOM 1147 N LEU A 74 -50.184 -38.995 66.533 1.00 0.00 N ATOM 1148 CA LEU A 74 -50.370 -37.872 65.565 1.00 0.00 C ATOM 1149 C LEU A 74 -49.031 -37.465 64.950 1.00 0.00 C ATOM 1150 O LEU A 74 -47.984 -37.621 65.545 1.00 0.00 O ATOM 1151 CB LEU A 74 -50.969 -36.670 66.292 1.00 0.00 C ATOM 1152 CG LEU A 74 -52.331 -37.014 66.967 1.00 0.00 C ATOM 1153 CD1 LEU A 74 -52.163 -37.635 68.365 1.00 0.00 C ATOM 1154 CD2 LEU A 74 -53.146 -35.746 67.144 1.00 0.00 C ATOM 0 H LEU A 74 -49.809 -38.726 67.443 1.00 0.00 H new ATOM 0 HA LEU A 74 -51.039 -38.204 64.771 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -50.268 -36.318 67.049 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -51.111 -35.853 65.585 1.00 0.00 H new ATOM 0 HG LEU A 74 -52.823 -37.734 66.314 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -53.144 -37.854 68.786 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -51.588 -38.558 68.287 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -51.638 -36.934 69.014 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -54.098 -35.988 67.616 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -52.597 -35.045 67.773 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -53.329 -35.292 66.170 1.00 0.00 H new ATOM 1166 N THR A 75 -49.119 -36.946 63.754 1.00 0.00 N ATOM 1167 CA THR A 75 -47.909 -36.486 63.000 1.00 0.00 C ATOM 1168 C THR A 75 -48.176 -35.023 62.665 1.00 0.00 C ATOM 1169 O THR A 75 -49.108 -34.711 61.951 1.00 0.00 O ATOM 1170 CB THR A 75 -47.763 -37.304 61.718 1.00 0.00 C ATOM 1171 OG1 THR A 75 -47.641 -38.645 62.169 1.00 0.00 O ATOM 1172 CG2 THR A 75 -46.420 -37.012 61.044 1.00 0.00 C ATOM 0 H THR A 75 -49.999 -36.818 63.254 1.00 0.00 H new ATOM 0 HA THR A 75 -46.991 -36.607 63.575 1.00 0.00 H new ATOM 0 HB THR A 75 -48.588 -37.097 61.037 1.00 0.00 H new ATOM 0 HG1 THR A 75 -47.544 -39.242 61.398 1.00 0.00 H new ATOM 0 HG21 THR A 75 -46.334 -37.604 60.133 1.00 0.00 H new ATOM 0 HG22 THR A 75 -46.360 -35.952 60.796 1.00 0.00 H new ATOM 0 HG23 THR A 75 -45.608 -37.272 61.723 1.00 0.00 H new ATOM 1180 N ILE A 76 -47.357 -34.145 63.184 1.00 0.00 N ATOM 1181 CA ILE A 76 -47.530 -32.678 62.929 1.00 0.00 C ATOM 1182 C ILE A 76 -46.429 -32.181 62.008 1.00 0.00 C ATOM 1183 O ILE A 76 -45.292 -32.589 62.114 1.00 0.00 O ATOM 1184 CB ILE A 76 -47.433 -31.905 64.256 1.00 0.00 C ATOM 1185 CG1 ILE A 76 -48.314 -32.609 65.319 1.00 0.00 C ATOM 1186 CG2 ILE A 76 -47.900 -30.453 63.970 1.00 0.00 C ATOM 1187 CD1 ILE A 76 -48.091 -32.043 66.727 1.00 0.00 C ATOM 0 H ILE A 76 -46.565 -34.382 63.781 1.00 0.00 H new ATOM 0 HA ILE A 76 -48.505 -32.517 62.469 1.00 0.00 H new ATOM 0 HB ILE A 76 -46.417 -31.882 64.649 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -49.364 -32.499 65.048 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -48.095 -33.677 65.320 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -47.847 -29.867 64.887 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -47.254 -30.005 63.215 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -48.927 -30.466 63.606 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -48.731 -32.569 67.436 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -47.047 -32.177 67.012 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -48.336 -30.981 66.735 1.00 0.00 H new ATOM 1199 N SER A 77 -46.814 -31.295 61.130 1.00 0.00 N ATOM 1200 CA SER A 77 -45.858 -30.691 60.138 1.00 0.00 C ATOM 1201 C SER A 77 -45.758 -29.193 60.485 1.00 0.00 C ATOM 1202 O SER A 77 -46.679 -28.664 61.074 1.00 0.00 O ATOM 1203 CB SER A 77 -46.448 -30.922 58.734 1.00 0.00 C ATOM 1204 OG SER A 77 -47.765 -30.405 58.844 1.00 0.00 O ATOM 0 H SER A 77 -47.772 -30.952 61.052 1.00 0.00 H new ATOM 0 HA SER A 77 -44.861 -31.131 60.166 1.00 0.00 H new ATOM 0 HB2 SER A 77 -45.875 -30.402 57.966 1.00 0.00 H new ATOM 0 HB3 SER A 77 -46.452 -31.979 58.468 1.00 0.00 H new ATOM 0 HG SER A 77 -47.766 -29.639 59.456 1.00 0.00 H new ATOM 1210 N PRO A 78 -44.682 -28.526 60.139 1.00 0.00 N ATOM 1211 CA PRO A 78 -44.484 -27.109 60.531 1.00 0.00 C ATOM 1212 C PRO A 78 -45.767 -26.269 60.500 1.00 0.00 C ATOM 1213 O PRO A 78 -46.126 -25.663 61.490 1.00 0.00 O ATOM 1214 CB PRO A 78 -43.369 -26.610 59.564 1.00 0.00 C ATOM 1215 CG PRO A 78 -43.254 -27.738 58.504 1.00 0.00 C ATOM 1216 CD PRO A 78 -43.539 -29.004 59.315 1.00 0.00 C ATOM 0 HA PRO A 78 -44.190 -27.008 61.576 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -43.636 -25.658 59.105 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -42.425 -26.458 60.088 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -43.973 -27.607 57.695 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -42.264 -27.765 58.049 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -43.805 -29.853 58.685 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -42.687 -29.312 59.921 1.00 0.00 H new ATOM 1224 N ASP A 79 -46.418 -26.253 59.366 1.00 0.00 N ATOM 1225 CA ASP A 79 -47.678 -25.474 59.197 1.00 0.00 C ATOM 1226 C ASP A 79 -48.520 -25.435 60.474 1.00 0.00 C ATOM 1227 O ASP A 79 -49.170 -24.456 60.777 1.00 0.00 O ATOM 1228 CB ASP A 79 -48.458 -26.106 58.028 1.00 0.00 C ATOM 1229 CG ASP A 79 -48.502 -27.627 58.184 1.00 0.00 C ATOM 1230 OD1 ASP A 79 -47.999 -28.079 59.199 1.00 0.00 O ATOM 1231 OD2 ASP A 79 -49.039 -28.246 57.280 1.00 0.00 O ATOM 0 H ASP A 79 -46.121 -26.759 58.532 1.00 0.00 H new ATOM 0 HA ASP A 79 -47.436 -24.434 58.980 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -49.472 -25.707 57.999 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -47.985 -25.844 57.082 1.00 0.00 H new ATOM 1236 N TYR A 80 -48.474 -26.529 61.192 1.00 0.00 N ATOM 1237 CA TYR A 80 -49.228 -26.691 62.473 1.00 0.00 C ATOM 1238 C TYR A 80 -48.291 -26.635 63.695 1.00 0.00 C ATOM 1239 O TYR A 80 -48.739 -26.378 64.795 1.00 0.00 O ATOM 1240 CB TYR A 80 -49.960 -28.046 62.405 1.00 0.00 C ATOM 1241 CG TYR A 80 -51.292 -27.916 61.639 1.00 0.00 C ATOM 1242 CD1 TYR A 80 -51.325 -27.413 60.355 1.00 0.00 C ATOM 1243 CD2 TYR A 80 -52.480 -28.297 62.234 1.00 0.00 C ATOM 1244 CE1 TYR A 80 -52.524 -27.292 59.679 1.00 0.00 C ATOM 1245 CE2 TYR A 80 -53.678 -28.178 61.560 1.00 0.00 C ATOM 1246 CZ TYR A 80 -53.707 -27.674 60.277 1.00 0.00 C ATOM 1247 OH TYR A 80 -54.904 -27.553 59.600 1.00 0.00 O ATOM 0 H TYR A 80 -47.923 -27.347 60.932 1.00 0.00 H new ATOM 0 HA TYR A 80 -49.938 -25.873 62.593 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -49.324 -28.783 61.914 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -50.151 -28.412 63.414 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -50.406 -27.111 59.874 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -52.470 -28.693 63.239 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -52.535 -26.895 58.675 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -54.597 -28.481 62.040 1.00 0.00 H new ATOM 0 HH TYR A 80 -55.636 -27.870 60.170 1.00 0.00 H new ATOM 1457 N THR A 96 -40.337 -31.894 62.001 1.00 0.00 N ATOM 1458 CA THR A 96 -41.700 -32.492 62.127 1.00 0.00 C ATOM 1459 C THR A 96 -41.792 -33.003 63.565 1.00 0.00 C ATOM 1460 O THR A 96 -40.807 -33.488 64.084 1.00 0.00 O ATOM 1461 CB THR A 96 -41.812 -33.647 61.133 1.00 0.00 C ATOM 1462 OG1 THR A 96 -41.435 -33.060 59.897 1.00 0.00 O ATOM 1463 CG2 THR A 96 -43.262 -34.059 60.889 1.00 0.00 C ATOM 0 HA THR A 96 -42.501 -31.783 61.916 1.00 0.00 H new ATOM 0 HB THR A 96 -41.234 -34.498 61.493 1.00 0.00 H new ATOM 0 HG1 THR A 96 -40.875 -32.274 60.066 1.00 0.00 H new ATOM 0 HG21 THR A 96 -43.291 -34.883 60.176 1.00 0.00 H new ATOM 0 HG22 THR A 96 -43.713 -34.377 61.829 1.00 0.00 H new ATOM 0 HG23 THR A 96 -43.818 -33.212 60.488 1.00 0.00 H new ATOM 1471 N LEU A 97 -42.935 -32.904 64.203 1.00 0.00 N ATOM 1472 CA LEU A 97 -43.068 -33.393 65.597 1.00 0.00 C ATOM 1473 C LEU A 97 -43.970 -34.642 65.532 1.00 0.00 C ATOM 1474 O LEU A 97 -44.783 -34.768 64.637 1.00 0.00 O ATOM 1475 CB LEU A 97 -43.787 -32.353 66.471 1.00 0.00 C ATOM 1476 CG LEU A 97 -43.341 -30.869 66.437 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -44.142 -30.171 67.541 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -41.881 -30.617 66.770 1.00 0.00 C ATOM 0 H LEU A 97 -43.784 -32.501 63.807 1.00 0.00 H new ATOM 0 HA LEU A 97 -42.083 -33.594 66.020 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -44.843 -32.380 66.204 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -43.711 -32.690 67.505 1.00 0.00 H new ATOM 0 HG LEU A 97 -43.501 -30.513 65.419 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -43.875 -29.115 67.572 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -45.208 -30.270 67.335 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -43.914 -30.631 68.502 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -41.675 -29.548 66.717 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -41.670 -30.978 67.777 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -41.249 -31.144 66.055 1.00 0.00 H new ATOM 1490 N VAL A 98 -43.819 -35.538 66.470 1.00 0.00 N ATOM 1491 CA VAL A 98 -44.665 -36.769 66.486 1.00 0.00 C ATOM 1492 C VAL A 98 -45.068 -37.009 67.937 1.00 0.00 C ATOM 1493 O VAL A 98 -44.226 -37.123 68.804 1.00 0.00 O ATOM 1494 CB VAL A 98 -43.873 -37.955 65.985 1.00 0.00 C ATOM 1495 CG1 VAL A 98 -44.815 -39.185 65.975 1.00 0.00 C ATOM 1496 CG2 VAL A 98 -43.417 -37.667 64.553 1.00 0.00 C ATOM 0 H VAL A 98 -43.143 -35.471 67.230 1.00 0.00 H new ATOM 0 HA VAL A 98 -45.536 -36.645 65.843 1.00 0.00 H new ATOM 0 HB VAL A 98 -43.007 -38.141 66.620 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -44.270 -40.058 65.617 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -45.178 -39.373 66.985 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -45.661 -38.990 65.316 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -42.844 -38.514 64.176 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -44.289 -37.508 63.918 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -42.793 -36.773 64.543 1.00 0.00 H new ATOM 1506 N PHE A 99 -46.348 -37.081 68.179 1.00 0.00 N ATOM 1507 CA PHE A 99 -46.848 -37.319 69.571 1.00 0.00 C ATOM 1508 C PHE A 99 -47.648 -38.626 69.633 1.00 0.00 C ATOM 1509 O PHE A 99 -48.197 -39.094 68.656 1.00 0.00 O ATOM 1510 CB PHE A 99 -47.775 -36.188 70.012 1.00 0.00 C ATOM 1511 CG PHE A 99 -47.012 -34.897 70.326 1.00 0.00 C ATOM 1512 CD1 PHE A 99 -46.571 -34.076 69.317 1.00 0.00 C ATOM 1513 CD2 PHE A 99 -46.778 -34.538 71.642 1.00 0.00 C ATOM 1514 CE1 PHE A 99 -45.908 -32.903 69.619 1.00 0.00 C ATOM 1515 CE2 PHE A 99 -46.120 -33.371 71.950 1.00 0.00 C ATOM 1516 CZ PHE A 99 -45.681 -32.548 70.933 1.00 0.00 C ATOM 0 H PHE A 99 -47.076 -36.985 67.471 1.00 0.00 H new ATOM 0 HA PHE A 99 -45.979 -37.371 70.227 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -48.505 -35.993 69.227 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -48.332 -36.502 70.895 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -46.743 -34.348 68.286 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -47.117 -35.184 72.438 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -45.565 -32.260 68.822 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -45.948 -33.100 72.981 1.00 0.00 H new ATOM 0 HZ PHE A 99 -45.162 -31.630 71.165 1.00 0.00 H new ATOM 1526 N ASP A 100 -47.675 -39.167 70.819 1.00 0.00 N ATOM 1527 CA ASP A 100 -48.414 -40.434 71.104 1.00 0.00 C ATOM 1528 C ASP A 100 -49.259 -39.914 72.253 1.00 0.00 C ATOM 1529 O ASP A 100 -48.840 -40.000 73.388 1.00 0.00 O ATOM 1530 CB ASP A 100 -47.465 -41.529 71.583 1.00 0.00 C ATOM 1531 CG ASP A 100 -46.344 -41.709 70.558 1.00 0.00 C ATOM 1532 OD1 ASP A 100 -45.634 -40.737 70.359 1.00 0.00 O ATOM 1533 OD2 ASP A 100 -46.264 -42.808 70.035 1.00 0.00 O ATOM 0 H ASP A 100 -47.200 -38.771 71.630 1.00 0.00 H new ATOM 0 HA ASP A 100 -48.947 -40.884 70.266 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -47.047 -41.265 72.554 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -48.008 -42.465 71.714 1.00 0.00 H new ATOM 1538 N VAL A 101 -50.429 -39.387 71.979 1.00 0.00 N ATOM 1539 CA VAL A 101 -51.275 -38.840 73.102 1.00 0.00 C ATOM 1540 C VAL A 101 -52.433 -39.718 73.539 1.00 0.00 C ATOM 1541 O VAL A 101 -52.999 -40.487 72.788 1.00 0.00 O ATOM 1542 CB VAL A 101 -51.860 -37.479 72.682 1.00 0.00 C ATOM 1543 CG1 VAL A 101 -52.471 -36.726 73.888 1.00 0.00 C ATOM 1544 CG2 VAL A 101 -50.808 -36.642 71.979 1.00 0.00 C ATOM 0 H VAL A 101 -50.834 -39.310 71.046 1.00 0.00 H new ATOM 0 HA VAL A 101 -50.596 -38.773 73.952 1.00 0.00 H new ATOM 0 HB VAL A 101 -52.671 -37.664 71.978 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -52.874 -35.770 73.554 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -53.271 -37.325 74.323 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -51.699 -36.552 74.637 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -51.239 -35.684 71.689 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -49.968 -36.473 72.652 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -50.460 -37.167 71.089 1.00 0.00 H new ATOM 1554 N GLU A 102 -52.730 -39.539 74.798 1.00 0.00 N ATOM 1555 CA GLU A 102 -53.836 -40.269 75.480 1.00 0.00 C ATOM 1556 C GLU A 102 -54.733 -39.235 76.189 1.00 0.00 C ATOM 1557 O GLU A 102 -54.374 -38.765 77.251 1.00 0.00 O ATOM 1558 CB GLU A 102 -53.234 -41.237 76.501 1.00 0.00 C ATOM 1559 CG GLU A 102 -54.364 -42.014 77.179 1.00 0.00 C ATOM 1560 CD GLU A 102 -53.754 -42.998 78.181 1.00 0.00 C ATOM 1561 OE1 GLU A 102 -53.097 -42.510 79.085 1.00 0.00 O ATOM 1562 OE2 GLU A 102 -53.981 -44.180 77.981 1.00 0.00 O ATOM 0 H GLU A 102 -52.229 -38.890 75.405 1.00 0.00 H new ATOM 0 HA GLU A 102 -54.430 -40.835 74.762 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -52.547 -41.925 76.008 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -52.656 -40.688 77.244 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -55.041 -41.328 77.688 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -54.953 -42.550 76.435 1.00 0.00 H new ATOM 1569 N LEU A 103 -55.863 -38.883 75.618 1.00 0.00 N ATOM 1570 CA LEU A 103 -56.730 -37.880 76.321 1.00 0.00 C ATOM 1571 C LEU A 103 -57.318 -38.652 77.491 1.00 0.00 C ATOM 1572 O LEU A 103 -57.944 -39.683 77.323 1.00 0.00 O ATOM 1573 CB LEU A 103 -57.844 -37.372 75.357 1.00 0.00 C ATOM 1574 CG LEU A 103 -58.911 -36.464 76.064 1.00 0.00 C ATOM 1575 CD1 LEU A 103 -58.286 -35.199 76.722 1.00 0.00 C ATOM 1576 CD2 LEU A 103 -59.943 -36.008 75.005 1.00 0.00 C ATOM 0 H LEU A 103 -56.214 -39.232 74.726 1.00 0.00 H new ATOM 0 HA LEU A 103 -56.185 -36.996 76.651 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -57.383 -36.812 74.543 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -58.346 -38.230 74.910 1.00 0.00 H new ATOM 0 HG LEU A 103 -59.372 -37.053 76.857 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -59.071 -34.609 77.195 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -57.557 -35.502 77.473 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -57.792 -34.598 75.959 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -60.694 -35.375 75.478 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -59.436 -35.446 74.221 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -60.427 -36.882 74.569 1.00 0.00 H new ATOM 1588 N LEU A 104 -57.101 -38.108 78.660 1.00 0.00 N ATOM 1589 CA LEU A 104 -57.596 -38.749 79.913 1.00 0.00 C ATOM 1590 C LEU A 104 -58.973 -38.249 80.301 1.00 0.00 C ATOM 1591 O LEU A 104 -59.905 -39.019 80.421 1.00 0.00 O ATOM 1592 CB LEU A 104 -56.593 -38.443 81.031 1.00 0.00 C ATOM 1593 CG LEU A 104 -55.158 -38.899 80.584 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -54.107 -38.043 81.254 1.00 0.00 C ATOM 1595 CD2 LEU A 104 -54.895 -40.355 80.998 1.00 0.00 C ATOM 0 H LEU A 104 -56.594 -37.234 78.801 1.00 0.00 H new ATOM 0 HA LEU A 104 -57.683 -39.823 79.750 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -56.595 -37.376 81.254 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -56.882 -38.960 81.946 1.00 0.00 H new ATOM 0 HG LEU A 104 -55.107 -38.800 79.500 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -53.116 -38.368 80.937 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -54.254 -37.000 80.973 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -54.192 -38.143 82.336 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -53.895 -40.649 80.678 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -54.970 -40.444 82.082 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -55.633 -41.006 80.528 1.00 0.00 H new ATOM 1607 N LYS A 105 -59.086 -36.965 80.492 1.00 0.00 N ATOM 1608 CA LYS A 105 -60.407 -36.408 80.876 1.00 0.00 C ATOM 1609 C LYS A 105 -60.390 -34.876 80.782 1.00 0.00 C ATOM 1610 O LYS A 105 -59.417 -34.292 80.347 1.00 0.00 O ATOM 1611 CB LYS A 105 -60.737 -36.887 82.324 1.00 0.00 C ATOM 1612 CG LYS A 105 -62.252 -37.123 82.474 1.00 0.00 C ATOM 1613 CD LYS A 105 -62.518 -37.671 83.878 1.00 0.00 C ATOM 1614 CE LYS A 105 -64.016 -37.964 84.014 1.00 0.00 C ATOM 1615 NZ LYS A 105 -64.804 -36.718 83.797 1.00 0.00 N ATOM 0 H LYS A 105 -58.330 -36.286 80.400 1.00 0.00 H new ATOM 0 HA LYS A 105 -61.180 -36.762 80.194 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -60.195 -37.807 82.543 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -60.404 -36.141 83.046 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -62.798 -36.192 82.320 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -62.603 -37.827 81.719 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -61.938 -38.579 84.046 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -62.204 -36.949 84.632 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -64.313 -38.722 83.290 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -64.227 -38.369 85.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -65.763 -36.842 84.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -64.338 -35.924 84.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -64.862 -36.517 82.778 1.00 0.00 H new ATOM 1629 N LEU A 106 -61.466 -34.245 81.183 1.00 0.00 N ATOM 1630 CA LEU A 106 -61.552 -32.748 81.134 1.00 0.00 C ATOM 1631 C LEU A 106 -61.710 -32.230 82.573 1.00 0.00 C ATOM 1632 O LEU A 106 -62.187 -32.931 83.443 1.00 0.00 O ATOM 1633 CB LEU A 106 -62.787 -32.315 80.331 1.00 0.00 C ATOM 1634 CG LEU A 106 -62.934 -33.138 79.057 1.00 0.00 C ATOM 1635 CD1 LEU A 106 -64.226 -32.694 78.364 1.00 0.00 C ATOM 1636 CD2 LEU A 106 -61.766 -32.891 78.107 1.00 0.00 C ATOM 0 H LEU A 106 -62.299 -34.707 81.547 1.00 0.00 H new ATOM 0 HA LEU A 106 -60.654 -32.348 80.663 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -63.681 -32.428 80.945 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -62.706 -31.258 80.077 1.00 0.00 H new ATOM 0 HG LEU A 106 -62.954 -34.197 79.312 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -64.361 -33.266 77.446 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -65.073 -32.868 79.028 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -64.164 -31.632 78.125 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -61.897 -33.491 77.206 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -61.733 -31.835 77.838 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -60.833 -33.170 78.597 1.00 0.00 H new ATOM 1648 N GLU A 107 -61.300 -31.008 82.783 1.00 0.00 N ATOM 1649 CA GLU A 107 -61.403 -30.369 84.142 1.00 0.00 C ATOM 1650 C GLU A 107 -61.952 -28.944 84.033 1.00 0.00 C ATOM 1651 O GLU A 107 -62.984 -28.719 84.644 1.00 0.00 O ATOM 1652 CB GLU A 107 -60.011 -30.354 84.792 1.00 0.00 C ATOM 1653 CG GLU A 107 -59.680 -31.768 85.286 1.00 0.00 C ATOM 1654 CD GLU A 107 -60.530 -32.096 86.519 1.00 0.00 C ATOM 1655 OE1 GLU A 107 -61.242 -31.202 86.947 1.00 0.00 O ATOM 1656 OE2 GLU A 107 -60.414 -33.227 86.962 1.00 0.00 O ATOM 1657 OXT GLU A 107 -61.315 -28.161 83.348 1.00 0.00 O ATOM 0 H GLU A 107 -60.891 -30.411 82.064 1.00 0.00 H new ATOM 0 HA GLU A 107 -62.092 -30.946 84.758 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -59.263 -30.021 84.073 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -59.990 -29.649 85.623 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -59.872 -32.494 84.496 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -58.621 -31.839 85.533 1.00 0.00 H new