USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 453 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 Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 92 THR OG1 : rot 82:sc= 0.898 USER MOD Single : A 94 SER OG : rot 154:sc= -0.165 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 176:sc= -0.148 (180deg=-0.206) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -0.753 K(o=-0.75,f=-3.2) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 120 SER OG : rot 81:sc= 0.516 USER MOD Single : A 121 SER OG : rot 93:sc= 0.702 USER MOD Single : A 122 LYS NZ :NH3+ -116:sc= 0.612 (180deg=-0.00797) USER MOD Single : A 123 MET CE :methyl 179:sc= -0.0281 (180deg=-0.0297) USER MOD Single : A 126 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.063) USER MOD Single : A 131 SER OG : rot 180:sc= 0.00466 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.0614 USER MOD Single : A 134 MET CE :methyl 144:sc= -0.0286 (180deg=-3.13!) USER MOD Single : A 135 CYS SG : rot 68:sc= -0.103 USER MOD Single : A 136 THR OG1 : rot -55:sc= 0.645 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.0935 K(o=-0.094,f=-1!) USER MOD Single : A 144 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00013) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 11.211 0.645 12.418 1.00 0.00 N ATOM 109 CA TRP A 87 11.069 0.380 10.991 1.00 0.00 C ATOM 110 C TRP A 87 11.894 1.366 10.170 1.00 0.00 C ATOM 111 O TRP A 87 12.011 2.539 10.525 1.00 0.00 O ATOM 112 CB TRP A 87 9.598 0.462 10.580 1.00 0.00 C ATOM 113 CG TRP A 87 8.790 -0.719 11.027 1.00 0.00 C ATOM 114 CD1 TRP A 87 8.694 -1.213 12.297 1.00 0.00 C ATOM 115 CD2 TRP A 87 7.968 -1.555 10.206 1.00 0.00 C ATOM 116 NE1 TRP A 87 7.861 -2.305 12.314 1.00 0.00 N ATOM 117 CE2 TRP A 87 7.402 -2.535 11.044 1.00 0.00 C ATOM 118 CE3 TRP A 87 7.653 -1.570 8.844 1.00 0.00 C ATOM 119 CZ2 TRP A 87 6.541 -3.518 10.564 1.00 0.00 C ATOM 120 CZ3 TRP A 87 6.798 -2.546 8.369 1.00 0.00 C ATOM 121 CH2 TRP A 87 6.249 -3.509 9.227 1.00 0.00 C ATOM 0 HA TRP A 87 11.438 -0.627 10.795 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.162 1.370 10.996 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.535 0.547 9.495 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.199 -0.805 13.160 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.623 -2.856 13.139 1.00 0.00 H new ATOM 0 HE3 TRP A 87 8.070 -0.832 8.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.118 -4.262 11.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 6.548 -2.567 7.318 1.00 0.00 H new ATOM 0 HH2 TRP A 87 5.583 -4.258 8.825 1.00 0.00 H new ATOM 132 N VAL A 88 12.465 0.882 9.072 1.00 0.00 N ATOM 133 CA VAL A 88 13.278 1.721 8.200 1.00 0.00 C ATOM 134 C VAL A 88 12.465 2.237 7.018 1.00 0.00 C ATOM 135 O VAL A 88 11.370 1.745 6.744 1.00 0.00 O ATOM 136 CB VAL A 88 14.505 0.956 7.669 1.00 0.00 C ATOM 137 CG1 VAL A 88 15.596 0.895 8.728 1.00 0.00 C ATOM 138 CG2 VAL A 88 14.107 -0.443 7.221 1.00 0.00 C ATOM 0 H VAL A 88 12.380 -0.087 8.765 1.00 0.00 H new ATOM 0 HA VAL A 88 13.617 2.565 8.801 1.00 0.00 H new ATOM 0 HB VAL A 88 14.900 1.491 6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.455 0.351 8.335 1.00 0.00 H new ATOM 0 HG12 VAL A 88 15.900 1.907 8.996 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.216 0.383 9.612 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.986 -0.970 6.849 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.687 -0.990 8.065 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.363 -0.373 6.428 1.00 0.00 H new ATOM 148 N GLN A 89 13.007 3.230 6.322 1.00 0.00 N ATOM 149 CA GLN A 89 12.331 3.813 5.169 1.00 0.00 C ATOM 150 C GLN A 89 11.965 2.738 4.151 1.00 0.00 C ATOM 151 O GLN A 89 10.852 2.718 3.627 1.00 0.00 O ATOM 152 CB GLN A 89 13.218 4.873 4.513 1.00 0.00 C ATOM 153 CG GLN A 89 14.583 4.350 4.096 1.00 0.00 C ATOM 154 CD GLN A 89 15.426 5.405 3.407 1.00 0.00 C ATOM 155 OE1 GLN A 89 14.934 6.158 2.566 1.00 0.00 O ATOM 156 NE2 GLN A 89 16.704 5.466 3.761 1.00 0.00 N ATOM 0 H GLN A 89 13.912 3.648 6.536 1.00 0.00 H new ATOM 0 HA GLN A 89 11.412 4.284 5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.707 5.271 3.636 1.00 0.00 H new ATOM 0 HB3 GLN A 89 13.352 5.703 5.207 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.112 3.985 4.976 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.453 3.500 3.427 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.070 4.822 4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.320 6.157 3.332 1.00 0.00 H new ATOM 165 N ASP A 90 12.910 1.845 3.876 1.00 0.00 N ATOM 166 CA ASP A 90 12.687 0.766 2.922 1.00 0.00 C ATOM 167 C ASP A 90 11.404 0.008 3.248 1.00 0.00 C ATOM 168 O ASP A 90 10.444 0.034 2.477 1.00 0.00 O ATOM 169 CB ASP A 90 13.876 -0.197 2.921 1.00 0.00 C ATOM 170 CG ASP A 90 15.130 0.432 2.346 1.00 0.00 C ATOM 171 OD1 ASP A 90 15.042 1.043 1.261 1.00 0.00 O ATOM 172 OD2 ASP A 90 16.199 0.311 2.980 1.00 0.00 O ATOM 0 H ASP A 90 13.837 1.848 4.301 1.00 0.00 H new ATOM 0 HA ASP A 90 12.585 1.207 1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.073 -0.527 3.941 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.620 -1.085 2.343 1.00 0.00 H new ATOM 177 N GLU A 91 11.395 -0.666 4.393 1.00 0.00 N ATOM 178 CA GLU A 91 10.230 -1.432 4.819 1.00 0.00 C ATOM 179 C GLU A 91 9.004 -0.532 4.948 1.00 0.00 C ATOM 180 O GLU A 91 8.012 -0.707 4.240 1.00 0.00 O ATOM 181 CB GLU A 91 10.508 -2.127 6.154 1.00 0.00 C ATOM 182 CG GLU A 91 11.501 -3.272 6.048 1.00 0.00 C ATOM 183 CD GLU A 91 11.622 -4.060 7.338 1.00 0.00 C ATOM 184 OE1 GLU A 91 10.711 -3.954 8.185 1.00 0.00 O ATOM 185 OE2 GLU A 91 12.627 -4.783 7.500 1.00 0.00 O ATOM 0 H GLU A 91 12.181 -0.697 5.042 1.00 0.00 H new ATOM 0 HA GLU A 91 10.027 -2.187 4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.887 -1.393 6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.570 -2.507 6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.193 -3.942 5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.479 -2.876 5.775 1.00 0.00 H new ATOM 192 N THR A 92 9.080 0.434 5.859 1.00 0.00 N ATOM 193 CA THR A 92 7.978 1.361 6.083 1.00 0.00 C ATOM 194 C THR A 92 7.281 1.714 4.774 1.00 0.00 C ATOM 195 O THR A 92 6.058 1.622 4.666 1.00 0.00 O ATOM 196 CB THR A 92 8.463 2.657 6.760 1.00 0.00 C ATOM 197 OG1 THR A 92 9.088 2.352 8.011 1.00 0.00 O ATOM 198 CG2 THR A 92 7.303 3.616 6.987 1.00 0.00 C ATOM 0 H THR A 92 9.893 0.594 6.453 1.00 0.00 H new ATOM 0 HA THR A 92 7.271 0.858 6.743 1.00 0.00 H new ATOM 0 HB THR A 92 9.186 3.136 6.101 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.014 2.073 7.854 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.670 4.524 7.466 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.848 3.870 6.030 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.560 3.142 7.628 1.00 0.00 H new ATOM 206 N ARG A 93 8.067 2.118 3.782 1.00 0.00 N ATOM 207 CA ARG A 93 7.525 2.485 2.479 1.00 0.00 C ATOM 208 C ARG A 93 6.770 1.316 1.855 1.00 0.00 C ATOM 209 O ARG A 93 5.624 1.460 1.429 1.00 0.00 O ATOM 210 CB ARG A 93 8.649 2.938 1.544 1.00 0.00 C ATOM 211 CG ARG A 93 8.175 3.836 0.413 1.00 0.00 C ATOM 212 CD ARG A 93 9.180 3.872 -0.727 1.00 0.00 C ATOM 213 NE ARG A 93 8.569 4.303 -1.982 1.00 0.00 N ATOM 214 CZ ARG A 93 8.251 5.564 -2.249 1.00 0.00 C ATOM 215 NH1 ARG A 93 8.485 6.514 -1.354 1.00 0.00 N ATOM 216 NH2 ARG A 93 7.698 5.878 -3.414 1.00 0.00 N ATOM 0 H ARG A 93 9.081 2.200 3.855 1.00 0.00 H new ATOM 0 HA ARG A 93 6.827 3.310 2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.403 3.468 2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.134 2.059 1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.214 3.479 0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.015 4.846 0.791 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.996 4.548 -0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.616 2.882 -0.857 1.00 0.00 H new ATOM 0 HE ARG A 93 8.376 3.596 -2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.910 6.277 -0.458 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.240 7.482 -1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.517 5.150 -4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.454 6.847 -3.618 1.00 0.00 H new ATOM 230 N SER A 94 7.420 0.158 1.804 1.00 0.00 N ATOM 231 CA SER A 94 6.812 -1.036 1.228 1.00 0.00 C ATOM 232 C SER A 94 5.468 -1.332 1.886 1.00 0.00 C ATOM 233 O SER A 94 4.447 -1.464 1.209 1.00 0.00 O ATOM 234 CB SER A 94 7.746 -2.237 1.387 1.00 0.00 C ATOM 235 OG SER A 94 7.549 -3.177 0.344 1.00 0.00 O ATOM 0 H SER A 94 8.368 0.021 2.155 1.00 0.00 H new ATOM 0 HA SER A 94 6.645 -0.853 0.167 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.782 -1.899 1.385 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.568 -2.715 2.350 1.00 0.00 H new ATOM 0 HG SER A 94 8.370 -3.695 0.211 1.00 0.00 H new ATOM 241 N LEU A 95 5.474 -1.436 3.210 1.00 0.00 N ATOM 242 CA LEU A 95 4.256 -1.716 3.962 1.00 0.00 C ATOM 243 C LEU A 95 3.142 -0.749 3.575 1.00 0.00 C ATOM 244 O LEU A 95 2.120 -1.154 3.020 1.00 0.00 O ATOM 245 CB LEU A 95 4.528 -1.623 5.465 1.00 0.00 C ATOM 246 CG LEU A 95 3.297 -1.499 6.363 1.00 0.00 C ATOM 247 CD1 LEU A 95 2.432 -2.746 6.259 1.00 0.00 C ATOM 248 CD2 LEU A 95 3.712 -1.255 7.806 1.00 0.00 C ATOM 0 H LEU A 95 6.309 -1.331 3.786 1.00 0.00 H new ATOM 0 HA LEU A 95 3.934 -2.728 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.087 -2.508 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.172 -0.762 5.645 1.00 0.00 H new ATOM 0 HG LEU A 95 2.710 -0.645 6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.561 -2.639 6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.105 -2.877 5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.010 -3.616 6.570 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.823 -1.169 8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.322 -2.088 8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.289 -0.332 7.868 1.00 0.00 H new ATOM 260 N ILE A 96 3.348 0.530 3.869 1.00 0.00 N ATOM 261 CA ILE A 96 2.363 1.555 3.548 1.00 0.00 C ATOM 262 C ILE A 96 1.783 1.343 2.154 1.00 0.00 C ATOM 263 O ILE A 96 0.573 1.447 1.951 1.00 0.00 O ATOM 264 CB ILE A 96 2.972 2.967 3.629 1.00 0.00 C ATOM 265 CG1 ILE A 96 3.492 3.242 5.041 1.00 0.00 C ATOM 266 CG2 ILE A 96 1.943 4.013 3.225 1.00 0.00 C ATOM 267 CD1 ILE A 96 4.447 4.413 5.117 1.00 0.00 C ATOM 0 H ILE A 96 4.188 0.881 4.329 1.00 0.00 H new ATOM 0 HA ILE A 96 1.567 1.469 4.287 1.00 0.00 H new ATOM 0 HB ILE A 96 3.811 3.024 2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.645 3.431 5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.994 2.350 5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.389 5.006 3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.616 3.826 2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.085 3.958 3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.775 4.549 6.148 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.313 4.218 4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.943 5.317 4.774 1.00 0.00 H new ATOM 279 N MET A 97 2.654 1.044 1.196 1.00 0.00 N ATOM 280 CA MET A 97 2.227 0.814 -0.180 1.00 0.00 C ATOM 281 C MET A 97 1.268 -0.370 -0.261 1.00 0.00 C ATOM 282 O MET A 97 0.130 -0.229 -0.707 1.00 0.00 O ATOM 283 CB MET A 97 3.441 0.564 -1.077 1.00 0.00 C ATOM 284 CG MET A 97 4.363 1.766 -1.201 1.00 0.00 C ATOM 285 SD MET A 97 3.792 2.957 -2.428 1.00 0.00 S ATOM 286 CE MET A 97 4.420 4.485 -1.736 1.00 0.00 C ATOM 0 H MET A 97 3.659 0.955 1.347 1.00 0.00 H new ATOM 0 HA MET A 97 1.705 1.706 -0.527 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.008 -0.279 -0.681 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.096 0.277 -2.070 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.443 2.259 -0.232 1.00 0.00 H new ATOM 0 HG3 MET A 97 5.363 1.425 -1.469 1.00 0.00 H new ATOM 0 HE1 MET A 97 4.147 5.317 -2.384 1.00 0.00 H new ATOM 0 HE2 MET A 97 3.991 4.640 -0.746 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.506 4.429 -1.656 1.00 0.00 H new ATOM 296 N PHE A 98 1.736 -1.536 0.172 1.00 0.00 N ATOM 297 CA PHE A 98 0.920 -2.744 0.148 1.00 0.00 C ATOM 298 C PHE A 98 -0.472 -2.472 0.710 1.00 0.00 C ATOM 299 O PHE A 98 -1.470 -2.978 0.198 1.00 0.00 O ATOM 300 CB PHE A 98 1.597 -3.859 0.948 1.00 0.00 C ATOM 301 CG PHE A 98 2.693 -4.557 0.194 1.00 0.00 C ATOM 302 CD1 PHE A 98 2.395 -5.399 -0.865 1.00 0.00 C ATOM 303 CD2 PHE A 98 4.020 -4.371 0.544 1.00 0.00 C ATOM 304 CE1 PHE A 98 3.401 -6.044 -1.560 1.00 0.00 C ATOM 305 CE2 PHE A 98 5.031 -5.013 -0.147 1.00 0.00 C ATOM 306 CZ PHE A 98 4.720 -5.850 -1.201 1.00 0.00 C ATOM 0 H PHE A 98 2.676 -1.670 0.544 1.00 0.00 H new ATOM 0 HA PHE A 98 0.817 -3.062 -0.890 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.009 -3.438 1.865 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.846 -4.592 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.365 -5.553 -1.151 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.268 -3.717 1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.155 -6.699 -2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.062 -4.860 0.137 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.508 -6.352 -1.743 1.00 0.00 H new ATOM 316 N ARG A 99 -0.529 -1.669 1.768 1.00 0.00 N ATOM 317 CA ARG A 99 -1.797 -1.330 2.402 1.00 0.00 C ATOM 318 C ARG A 99 -2.648 -0.458 1.484 1.00 0.00 C ATOM 319 O ARG A 99 -3.863 -0.635 1.394 1.00 0.00 O ATOM 320 CB ARG A 99 -1.552 -0.607 3.727 1.00 0.00 C ATOM 321 CG ARG A 99 -1.331 -1.546 4.902 1.00 0.00 C ATOM 322 CD ARG A 99 -2.613 -2.267 5.288 1.00 0.00 C ATOM 323 NE ARG A 99 -3.601 -1.357 5.861 1.00 0.00 N ATOM 324 CZ ARG A 99 -4.496 -0.693 5.137 1.00 0.00 C ATOM 325 NH1 ARG A 99 -4.526 -0.838 3.819 1.00 0.00 N ATOM 326 NH2 ARG A 99 -5.363 0.117 5.731 1.00 0.00 N ATOM 0 H ARG A 99 0.288 -1.241 2.204 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.336 -2.257 2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.682 0.041 3.622 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -2.405 0.037 3.943 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.564 -2.277 4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.959 -0.980 5.756 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.035 -2.753 4.408 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.384 -3.053 6.007 1.00 0.00 H new ATOM 0 HE ARG A 99 -3.604 -1.224 6.872 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -3.861 -1.460 3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.214 -0.327 3.265 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.343 0.231 6.744 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.049 0.626 5.174 1.00 0.00 H new ATOM 340 N ARG A 100 -2.002 0.485 0.805 1.00 0.00 N ATOM 341 CA ARG A 100 -2.700 1.386 -0.104 1.00 0.00 C ATOM 342 C ARG A 100 -3.221 0.631 -1.324 1.00 0.00 C ATOM 343 O ARG A 100 -4.344 0.855 -1.772 1.00 0.00 O ATOM 344 CB ARG A 100 -1.770 2.516 -0.550 1.00 0.00 C ATOM 345 CG ARG A 100 -1.436 3.502 0.558 1.00 0.00 C ATOM 346 CD ARG A 100 -0.470 4.574 0.077 1.00 0.00 C ATOM 347 NE ARG A 100 -1.168 5.728 -0.482 1.00 0.00 N ATOM 348 CZ ARG A 100 -1.914 6.557 0.241 1.00 0.00 C ATOM 349 NH1 ARG A 100 -2.056 6.360 1.544 1.00 0.00 N ATOM 350 NH2 ARG A 100 -2.518 7.586 -0.340 1.00 0.00 N ATOM 0 H ARG A 100 -0.996 0.645 0.867 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.550 1.813 0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -0.845 2.085 -0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.236 3.054 -1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.352 3.971 0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.998 2.968 1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.156 4.897 0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.194 4.152 -0.677 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.078 5.908 -1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.592 5.571 1.994 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.629 6.998 2.097 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.410 7.741 -1.342 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.090 8.222 0.216 1.00 0.00 H new ATOM 364 N GLY A 101 -2.395 -0.265 -1.857 1.00 0.00 N ATOM 365 CA GLY A 101 -2.790 -1.038 -3.019 1.00 0.00 C ATOM 366 C GLY A 101 -3.921 -2.001 -2.718 1.00 0.00 C ATOM 367 O GLY A 101 -4.831 -2.173 -3.529 1.00 0.00 O ATOM 0 H GLY A 101 -1.460 -0.469 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.097 -0.360 -3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -1.930 -1.597 -3.389 1.00 0.00 H new ATOM 371 N MET A 102 -3.864 -2.632 -1.550 1.00 0.00 N ATOM 372 CA MET A 102 -4.893 -3.583 -1.145 1.00 0.00 C ATOM 373 C MET A 102 -6.037 -2.874 -0.427 1.00 0.00 C ATOM 374 O MET A 102 -7.076 -3.474 -0.152 1.00 0.00 O ATOM 375 CB MET A 102 -4.294 -4.658 -0.236 1.00 0.00 C ATOM 376 CG MET A 102 -3.731 -5.850 -0.994 1.00 0.00 C ATOM 377 SD MET A 102 -3.068 -7.119 0.102 1.00 0.00 S ATOM 378 CE MET A 102 -4.579 -7.833 0.747 1.00 0.00 C ATOM 0 H MET A 102 -3.117 -2.502 -0.868 1.00 0.00 H new ATOM 0 HA MET A 102 -5.289 -4.056 -2.044 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.501 -4.213 0.366 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.061 -5.007 0.455 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.515 -6.284 -1.614 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.944 -5.509 -1.667 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.336 -8.681 1.387 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.117 -7.083 1.327 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.204 -8.170 -0.080 1.00 0.00 H new ATOM 388 N ASP A 103 -5.839 -1.595 -0.127 1.00 0.00 N ATOM 389 CA ASP A 103 -6.855 -0.804 0.558 1.00 0.00 C ATOM 390 C ASP A 103 -8.247 -1.130 0.026 1.00 0.00 C ATOM 391 O ASP A 103 -9.188 -1.316 0.796 1.00 0.00 O ATOM 392 CB ASP A 103 -6.568 0.689 0.390 1.00 0.00 C ATOM 393 CG ASP A 103 -7.259 1.278 -0.824 1.00 0.00 C ATOM 394 OD1 ASP A 103 -6.933 0.858 -1.955 1.00 0.00 O ATOM 395 OD2 ASP A 103 -8.126 2.158 -0.644 1.00 0.00 O ATOM 0 H ASP A 103 -4.984 -1.084 -0.347 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.823 -1.055 1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.893 1.221 1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.492 0.842 0.302 1.00 0.00 H new ATOM 400 N GLY A 104 -8.370 -1.198 -1.296 1.00 0.00 N ATOM 401 CA GLY A 104 -9.650 -1.500 -1.908 1.00 0.00 C ATOM 402 C GLY A 104 -10.429 -2.547 -1.136 1.00 0.00 C ATOM 403 O GLY A 104 -11.627 -2.390 -0.896 1.00 0.00 O ATOM 0 H GLY A 104 -7.605 -1.049 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.242 -0.587 -1.975 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.488 -1.850 -2.927 1.00 0.00 H new ATOM 407 N LEU A 105 -9.748 -3.620 -0.746 1.00 0.00 N ATOM 408 CA LEU A 105 -10.384 -4.698 0.002 1.00 0.00 C ATOM 409 C LEU A 105 -10.819 -4.220 1.384 1.00 0.00 C ATOM 410 O LEU A 105 -11.961 -4.426 1.793 1.00 0.00 O ATOM 411 CB LEU A 105 -9.427 -5.884 0.138 1.00 0.00 C ATOM 412 CG LEU A 105 -9.060 -6.603 -1.161 1.00 0.00 C ATOM 413 CD1 LEU A 105 -7.845 -7.493 -0.953 1.00 0.00 C ATOM 414 CD2 LEU A 105 -10.240 -7.418 -1.671 1.00 0.00 C ATOM 0 H LEU A 105 -8.756 -3.766 -0.936 1.00 0.00 H new ATOM 0 HA LEU A 105 -11.270 -5.015 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.508 -5.532 0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.874 -6.610 0.818 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.811 -5.853 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.599 -7.997 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.999 -6.885 -0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -8.066 -8.237 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.961 -7.923 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -10.520 -8.160 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -11.085 -6.756 -1.860 1.00 0.00 H new ATOM 426 N PHE A 106 -9.900 -3.578 2.098 1.00 0.00 N ATOM 427 CA PHE A 106 -10.188 -3.069 3.434 1.00 0.00 C ATOM 428 C PHE A 106 -11.438 -2.193 3.424 1.00 0.00 C ATOM 429 O PHE A 106 -12.272 -2.273 4.324 1.00 0.00 O ATOM 430 CB PHE A 106 -8.997 -2.271 3.966 1.00 0.00 C ATOM 431 CG PHE A 106 -7.794 -3.118 4.267 1.00 0.00 C ATOM 432 CD1 PHE A 106 -6.918 -3.484 3.257 1.00 0.00 C ATOM 433 CD2 PHE A 106 -7.539 -3.549 5.559 1.00 0.00 C ATOM 434 CE1 PHE A 106 -5.810 -4.264 3.530 1.00 0.00 C ATOM 435 CE2 PHE A 106 -6.432 -4.329 5.838 1.00 0.00 C ATOM 436 CZ PHE A 106 -5.567 -4.687 4.822 1.00 0.00 C ATOM 0 H PHE A 106 -8.950 -3.398 1.774 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.368 -3.921 4.090 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.723 -1.512 3.234 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.298 -1.746 4.873 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.103 -3.156 2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.212 -3.273 6.357 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.135 -4.542 2.734 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.244 -4.658 6.849 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.702 -5.297 5.038 1.00 0.00 H new ATOM 532 N LYS A 113 -8.565 -9.466 8.648 1.00 0.00 N ATOM 533 CA LYS A 113 -7.629 -10.487 9.105 1.00 0.00 C ATOM 534 C LYS A 113 -6.918 -11.140 7.924 1.00 0.00 C ATOM 535 O LYS A 113 -5.688 -11.193 7.880 1.00 0.00 O ATOM 536 CB LYS A 113 -8.364 -11.552 9.924 1.00 0.00 C ATOM 537 CG LYS A 113 -7.440 -12.420 10.760 1.00 0.00 C ATOM 538 CD LYS A 113 -8.186 -13.087 11.904 1.00 0.00 C ATOM 539 CE LYS A 113 -7.365 -14.203 12.529 1.00 0.00 C ATOM 540 NZ LYS A 113 -8.217 -15.166 13.280 1.00 0.00 N ATOM 0 HA LYS A 113 -6.882 -10.004 9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.082 -11.062 10.582 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -8.934 -12.189 9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.984 -13.182 10.128 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -6.629 -11.811 11.159 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.429 -12.344 12.663 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -9.130 -13.490 11.538 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.820 -14.733 11.748 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.622 -13.774 13.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -7.619 -15.911 13.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -8.718 -14.665 14.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -8.909 -15.595 12.633 1.00 0.00 H new ATOM 554 N HIS A 114 -7.698 -11.636 6.969 1.00 0.00 N ATOM 555 CA HIS A 114 -7.141 -12.283 5.786 1.00 0.00 C ATOM 556 C HIS A 114 -6.217 -11.333 5.032 1.00 0.00 C ATOM 557 O HIS A 114 -5.179 -11.743 4.509 1.00 0.00 O ATOM 558 CB HIS A 114 -8.264 -12.760 4.865 1.00 0.00 C ATOM 559 CG HIS A 114 -9.136 -11.653 4.360 1.00 0.00 C ATOM 560 ND1 HIS A 114 -10.061 -11.003 5.150 1.00 0.00 N ATOM 561 CD2 HIS A 114 -9.220 -11.079 3.137 1.00 0.00 C ATOM 562 CE1 HIS A 114 -10.677 -10.079 4.435 1.00 0.00 C ATOM 563 NE2 HIS A 114 -10.185 -10.104 3.209 1.00 0.00 N ATOM 0 H HIS A 114 -8.717 -11.602 6.991 1.00 0.00 H new ATOM 0 HA HIS A 114 -6.558 -13.144 6.113 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.827 -13.284 4.015 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -8.881 -13.481 5.401 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.637 -11.339 2.266 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -11.451 -9.416 4.792 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.475 -9.498 2.441 1.00 0.00 H new ATOM 571 N LEU A 115 -6.599 -10.062 4.977 1.00 0.00 N ATOM 572 CA LEU A 115 -5.805 -9.052 4.285 1.00 0.00 C ATOM 573 C LEU A 115 -4.435 -8.897 4.937 1.00 0.00 C ATOM 574 O LEU A 115 -3.419 -8.784 4.251 1.00 0.00 O ATOM 575 CB LEU A 115 -6.538 -7.710 4.285 1.00 0.00 C ATOM 576 CG LEU A 115 -7.956 -7.719 3.715 1.00 0.00 C ATOM 577 CD1 LEU A 115 -8.631 -6.375 3.939 1.00 0.00 C ATOM 578 CD2 LEU A 115 -7.933 -8.066 2.233 1.00 0.00 C ATOM 0 H LEU A 115 -7.454 -9.706 5.404 1.00 0.00 H new ATOM 0 HA LEU A 115 -5.662 -9.380 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.583 -7.343 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.944 -6.995 3.716 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.532 -8.483 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.640 -6.401 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.681 -6.167 5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.056 -5.592 3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.951 -8.068 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.340 -7.326 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.491 -9.053 2.097 1.00 0.00 H new ATOM 590 N TRP A 116 -4.414 -8.895 6.265 1.00 0.00 N ATOM 591 CA TRP A 116 -3.168 -8.756 7.010 1.00 0.00 C ATOM 592 C TRP A 116 -2.198 -9.879 6.663 1.00 0.00 C ATOM 593 O TRP A 116 -1.078 -9.629 6.218 1.00 0.00 O ATOM 594 CB TRP A 116 -3.446 -8.752 8.514 1.00 0.00 C ATOM 595 CG TRP A 116 -4.007 -7.454 9.011 1.00 0.00 C ATOM 596 CD1 TRP A 116 -5.149 -7.279 9.738 1.00 0.00 C ATOM 597 CD2 TRP A 116 -3.451 -6.149 8.814 1.00 0.00 C ATOM 598 NE1 TRP A 116 -5.337 -5.945 10.006 1.00 0.00 N ATOM 599 CE2 TRP A 116 -4.309 -5.231 9.451 1.00 0.00 C ATOM 600 CE3 TRP A 116 -2.312 -5.667 8.164 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -4.062 -3.860 9.454 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -2.068 -4.307 8.168 1.00 0.00 C ATOM 603 CH2 TRP A 116 -2.939 -3.416 8.810 1.00 0.00 C ATOM 0 H TRP A 116 -5.246 -8.988 6.848 1.00 0.00 H new ATOM 0 HA TRP A 116 -2.711 -7.807 6.730 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -4.144 -9.555 8.749 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -2.520 -8.968 9.048 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -5.808 -8.073 10.056 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -6.116 -5.550 10.533 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.634 -6.345 7.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.733 -3.172 9.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -1.191 -3.924 7.668 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -2.720 -2.359 8.796 1.00 0.00 H new ATOM 614 N GLU A 117 -2.636 -11.118 6.868 1.00 0.00 N ATOM 615 CA GLU A 117 -1.804 -12.280 6.576 1.00 0.00 C ATOM 616 C GLU A 117 -1.259 -12.215 5.153 1.00 0.00 C ATOM 617 O GLU A 117 -0.140 -12.651 4.886 1.00 0.00 O ATOM 618 CB GLU A 117 -2.605 -13.569 6.770 1.00 0.00 C ATOM 619 CG GLU A 117 -3.881 -13.622 5.947 1.00 0.00 C ATOM 620 CD GLU A 117 -4.504 -15.005 5.927 1.00 0.00 C ATOM 621 OE1 GLU A 117 -5.066 -15.418 6.963 1.00 0.00 O ATOM 622 OE2 GLU A 117 -4.430 -15.672 4.874 1.00 0.00 O ATOM 0 H GLU A 117 -3.561 -11.342 7.235 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.962 -12.276 7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.977 -14.420 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.858 -13.674 7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.600 -12.909 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.663 -13.310 4.925 1.00 0.00 H new ATOM 629 N GLN A 118 -2.060 -11.668 4.243 1.00 0.00 N ATOM 630 CA GLN A 118 -1.658 -11.548 2.847 1.00 0.00 C ATOM 631 C GLN A 118 -0.562 -10.500 2.683 1.00 0.00 C ATOM 632 O GLN A 118 0.515 -10.790 2.164 1.00 0.00 O ATOM 633 CB GLN A 118 -2.863 -11.183 1.977 1.00 0.00 C ATOM 634 CG GLN A 118 -3.669 -12.387 1.519 1.00 0.00 C ATOM 635 CD GLN A 118 -4.359 -12.156 0.189 1.00 0.00 C ATOM 636 OE1 GLN A 118 -3.706 -11.980 -0.840 1.00 0.00 O ATOM 637 NE2 GLN A 118 -5.687 -12.156 0.203 1.00 0.00 N ATOM 0 H GLN A 118 -2.990 -11.302 4.448 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.264 -12.512 2.525 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.514 -10.512 2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.516 -10.634 1.102 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.009 -13.251 1.437 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -4.417 -12.628 2.275 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.188 -12.306 1.079 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.206 -12.006 -0.662 1.00 0.00 H new ATOM 646 N ILE A 119 -0.846 -9.281 3.130 1.00 0.00 N ATOM 647 CA ILE A 119 0.116 -8.190 3.034 1.00 0.00 C ATOM 648 C ILE A 119 1.469 -8.597 3.608 1.00 0.00 C ATOM 649 O ILE A 119 2.486 -8.560 2.915 1.00 0.00 O ATOM 650 CB ILE A 119 -0.383 -6.932 3.769 1.00 0.00 C ATOM 651 CG1 ILE A 119 -1.605 -6.349 3.056 1.00 0.00 C ATOM 652 CG2 ILE A 119 0.727 -5.896 3.861 1.00 0.00 C ATOM 653 CD1 ILE A 119 -2.178 -5.128 3.740 1.00 0.00 C ATOM 0 H ILE A 119 -1.734 -9.024 3.562 1.00 0.00 H new ATOM 0 HA ILE A 119 0.228 -7.961 1.974 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.675 -7.213 4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -1.329 -6.087 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.378 -7.115 2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.358 -5.013 4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.571 -6.315 4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.048 -5.616 2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -3.041 -4.769 3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -2.486 -5.389 4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -1.421 -4.345 3.781 1.00 0.00 H new ATOM 665 N SER A 120 1.473 -8.988 4.878 1.00 0.00 N ATOM 666 CA SER A 120 2.701 -9.402 5.547 1.00 0.00 C ATOM 667 C SER A 120 3.428 -10.470 4.736 1.00 0.00 C ATOM 668 O SER A 120 4.614 -10.336 4.434 1.00 0.00 O ATOM 669 CB SER A 120 2.390 -9.932 6.948 1.00 0.00 C ATOM 670 OG SER A 120 1.264 -9.276 7.504 1.00 0.00 O ATOM 0 H SER A 120 0.640 -9.027 5.465 1.00 0.00 H new ATOM 0 HA SER A 120 3.351 -8.531 5.632 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.203 -11.005 6.901 1.00 0.00 H new ATOM 0 HB3 SER A 120 3.255 -9.787 7.595 1.00 0.00 H new ATOM 0 HG SER A 120 0.443 -9.682 7.154 1.00 0.00 H new ATOM 676 N SER A 121 2.708 -11.531 4.387 1.00 0.00 N ATOM 677 CA SER A 121 3.284 -12.625 3.614 1.00 0.00 C ATOM 678 C SER A 121 3.993 -12.098 2.370 1.00 0.00 C ATOM 679 O SER A 121 5.141 -12.450 2.098 1.00 0.00 O ATOM 680 CB SER A 121 2.196 -13.622 3.211 1.00 0.00 C ATOM 681 OG SER A 121 1.877 -14.490 4.284 1.00 0.00 O ATOM 0 H SER A 121 1.725 -11.656 4.627 1.00 0.00 H new ATOM 0 HA SER A 121 4.017 -13.132 4.241 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.302 -13.083 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.533 -14.206 2.354 1.00 0.00 H new ATOM 0 HG SER A 121 1.120 -14.124 4.787 1.00 0.00 H new ATOM 687 N LYS A 122 3.300 -11.250 1.617 1.00 0.00 N ATOM 688 CA LYS A 122 3.860 -10.672 0.402 1.00 0.00 C ATOM 689 C LYS A 122 5.205 -10.009 0.684 1.00 0.00 C ATOM 690 O LYS A 122 6.173 -10.215 -0.046 1.00 0.00 O ATOM 691 CB LYS A 122 2.890 -9.648 -0.194 1.00 0.00 C ATOM 692 CG LYS A 122 1.780 -10.272 -1.022 1.00 0.00 C ATOM 693 CD LYS A 122 0.533 -9.404 -1.027 1.00 0.00 C ATOM 694 CE LYS A 122 0.582 -8.365 -2.136 1.00 0.00 C ATOM 695 NZ LYS A 122 -0.575 -7.429 -2.071 1.00 0.00 N ATOM 0 H LYS A 122 2.349 -10.948 1.828 1.00 0.00 H new ATOM 0 HA LYS A 122 4.015 -11.478 -0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.446 -9.067 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.449 -8.951 -0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.126 -10.419 -2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.537 -11.257 -0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.348 -10.032 -1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.432 -8.905 -0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.511 -7.800 -2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.589 -8.867 -3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.159 -7.539 -2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.147 -7.643 -1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.227 -6.451 -2.014 1.00 0.00 H new ATOM 709 N MET A 123 5.256 -9.215 1.749 1.00 0.00 N ATOM 710 CA MET A 123 6.483 -8.525 2.129 1.00 0.00 C ATOM 711 C MET A 123 7.652 -9.502 2.214 1.00 0.00 C ATOM 712 O MET A 123 8.708 -9.275 1.624 1.00 0.00 O ATOM 713 CB MET A 123 6.299 -7.813 3.470 1.00 0.00 C ATOM 714 CG MET A 123 5.406 -6.586 3.389 1.00 0.00 C ATOM 715 SD MET A 123 6.328 -5.078 3.031 1.00 0.00 S ATOM 716 CE MET A 123 7.026 -4.719 4.641 1.00 0.00 C ATOM 0 H MET A 123 4.462 -9.034 2.364 1.00 0.00 H new ATOM 0 HA MET A 123 6.707 -7.784 1.361 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.875 -8.514 4.189 1.00 0.00 H new ATOM 0 HB3 MET A 123 7.276 -7.517 3.852 1.00 0.00 H new ATOM 0 HG2 MET A 123 4.654 -6.739 2.615 1.00 0.00 H new ATOM 0 HG3 MET A 123 4.873 -6.466 4.332 1.00 0.00 H new ATOM 0 HE1 MET A 123 7.640 -3.821 4.579 1.00 0.00 H new ATOM 0 HE2 MET A 123 6.222 -4.560 5.359 1.00 0.00 H new ATOM 0 HE3 MET A 123 7.642 -5.558 4.966 1.00 0.00 H new ATOM 726 N ARG A 124 7.455 -10.589 2.953 1.00 0.00 N ATOM 727 CA ARG A 124 8.494 -11.600 3.117 1.00 0.00 C ATOM 728 C ARG A 124 8.992 -12.092 1.761 1.00 0.00 C ATOM 729 O ARG A 124 10.189 -12.301 1.569 1.00 0.00 O ATOM 730 CB ARG A 124 7.964 -12.778 3.936 1.00 0.00 C ATOM 731 CG ARG A 124 7.650 -12.423 5.381 1.00 0.00 C ATOM 732 CD ARG A 124 6.537 -13.296 5.940 1.00 0.00 C ATOM 733 NE ARG A 124 6.574 -13.362 7.398 1.00 0.00 N ATOM 734 CZ ARG A 124 7.514 -14.007 8.081 1.00 0.00 C ATOM 735 NH1 ARG A 124 8.489 -14.636 7.441 1.00 0.00 N ATOM 736 NH2 ARG A 124 7.479 -14.021 9.408 1.00 0.00 N ATOM 0 H ARG A 124 6.586 -10.792 3.447 1.00 0.00 H new ATOM 0 HA ARG A 124 9.330 -11.144 3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 124 7.062 -13.163 3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 124 8.700 -13.581 3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 124 8.547 -12.541 5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 124 7.358 -11.375 5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 124 5.572 -12.903 5.619 1.00 0.00 H new ATOM 0 HD3 ARG A 124 6.624 -14.302 5.529 1.00 0.00 H new ATOM 0 HE ARG A 124 5.838 -12.887 7.921 1.00 0.00 H new ATOM 0 HH11 ARG A 124 8.519 -14.626 6.422 1.00 0.00 H new ATOM 0 HH12 ARG A 124 9.209 -15.130 7.968 1.00 0.00 H new ATOM 0 HH21 ARG A 124 6.731 -13.537 9.904 1.00 0.00 H new ATOM 0 HH22 ARG A 124 8.201 -14.516 9.932 1.00 0.00 H new ATOM 750 N GLU A 125 8.064 -12.275 0.827 1.00 0.00 N ATOM 751 CA GLU A 125 8.410 -12.744 -0.510 1.00 0.00 C ATOM 752 C GLU A 125 9.294 -11.730 -1.231 1.00 0.00 C ATOM 753 O GLU A 125 10.241 -12.098 -1.926 1.00 0.00 O ATOM 754 CB GLU A 125 7.143 -13.005 -1.327 1.00 0.00 C ATOM 755 CG GLU A 125 6.581 -14.406 -1.150 1.00 0.00 C ATOM 756 CD GLU A 125 7.569 -15.485 -1.549 1.00 0.00 C ATOM 757 OE1 GLU A 125 8.237 -15.320 -2.591 1.00 0.00 O ATOM 758 OE2 GLU A 125 7.674 -16.493 -0.819 1.00 0.00 O ATOM 0 H GLU A 125 7.068 -12.106 0.971 1.00 0.00 H new ATOM 0 HA GLU A 125 8.966 -13.676 -0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.382 -12.279 -1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.361 -12.841 -2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.293 -14.549 -0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.675 -14.509 -1.748 1.00 0.00 H new ATOM 765 N LYS A 126 8.976 -10.451 -1.060 1.00 0.00 N ATOM 766 CA LYS A 126 9.740 -9.382 -1.693 1.00 0.00 C ATOM 767 C LYS A 126 11.129 -9.265 -1.073 1.00 0.00 C ATOM 768 O LYS A 126 12.079 -8.845 -1.731 1.00 0.00 O ATOM 769 CB LYS A 126 8.997 -8.051 -1.562 1.00 0.00 C ATOM 770 CG LYS A 126 8.050 -7.767 -2.715 1.00 0.00 C ATOM 771 CD LYS A 126 6.715 -8.469 -2.526 1.00 0.00 C ATOM 772 CE LYS A 126 6.723 -9.858 -3.147 1.00 0.00 C ATOM 773 NZ LYS A 126 6.638 -9.801 -4.632 1.00 0.00 N ATOM 0 H LYS A 126 8.195 -10.130 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 126 9.853 -9.626 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.432 -8.050 -0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.725 -7.243 -1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.888 -6.692 -2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 126 8.505 -8.094 -3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.491 -8.546 -1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.922 -7.872 -2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 126 7.634 -10.381 -2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 126 5.885 -10.435 -2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 6.442 -10.752 -5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 5.873 -9.155 -4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.540 -9.457 -5.018 1.00 0.00 H new ATOM 787 N GLY A 127 11.238 -9.640 0.198 1.00 0.00 N ATOM 788 CA GLY A 127 12.515 -9.571 0.885 1.00 0.00 C ATOM 789 C GLY A 127 12.392 -8.990 2.280 1.00 0.00 C ATOM 790 O GLY A 127 13.340 -9.035 3.064 1.00 0.00 O ATOM 0 H GLY A 127 10.465 -9.990 0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 127 12.945 -10.571 0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 127 13.206 -8.963 0.301 1.00 0.00 H new ATOM 794 N PHE A 128 11.221 -8.443 2.590 1.00 0.00 N ATOM 795 CA PHE A 128 10.979 -7.849 3.900 1.00 0.00 C ATOM 796 C PHE A 128 10.264 -8.834 4.820 1.00 0.00 C ATOM 797 O PHE A 128 9.070 -9.092 4.664 1.00 0.00 O ATOM 798 CB PHE A 128 10.148 -6.572 3.758 1.00 0.00 C ATOM 799 CG PHE A 128 10.873 -5.460 3.054 1.00 0.00 C ATOM 800 CD1 PHE A 128 12.187 -5.161 3.375 1.00 0.00 C ATOM 801 CD2 PHE A 128 10.240 -4.715 2.073 1.00 0.00 C ATOM 802 CE1 PHE A 128 12.857 -4.139 2.730 1.00 0.00 C ATOM 803 CE2 PHE A 128 10.905 -3.692 1.424 1.00 0.00 C ATOM 804 CZ PHE A 128 12.215 -3.403 1.753 1.00 0.00 C ATOM 0 H PHE A 128 10.426 -8.399 1.953 1.00 0.00 H new ATOM 0 HA PHE A 128 11.944 -7.600 4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 128 9.234 -6.802 3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.849 -6.230 4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 128 12.694 -5.733 4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.215 -4.936 1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 128 13.881 -3.916 2.989 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.401 -3.119 0.660 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.736 -2.603 1.248 1.00 0.00 H new ATOM 814 N ASP A 129 11.003 -9.383 5.778 1.00 0.00 N ATOM 815 CA ASP A 129 10.441 -10.339 6.724 1.00 0.00 C ATOM 816 C ASP A 129 10.005 -9.641 8.009 1.00 0.00 C ATOM 817 O ASP A 129 10.821 -9.384 8.894 1.00 0.00 O ATOM 818 CB ASP A 129 11.462 -11.432 7.044 1.00 0.00 C ATOM 819 CG ASP A 129 12.840 -10.870 7.335 1.00 0.00 C ATOM 820 OD1 ASP A 129 13.440 -10.268 6.420 1.00 0.00 O ATOM 821 OD2 ASP A 129 13.317 -11.032 8.477 1.00 0.00 O ATOM 0 H ASP A 129 11.993 -9.182 5.920 1.00 0.00 H new ATOM 0 HA ASP A 129 9.564 -10.795 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 129 11.118 -12.006 7.904 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.525 -12.124 6.204 1.00 0.00 H new ATOM 826 N ARG A 130 8.715 -9.336 8.102 1.00 0.00 N ATOM 827 CA ARG A 130 8.172 -8.665 9.277 1.00 0.00 C ATOM 828 C ARG A 130 6.866 -9.318 9.720 1.00 0.00 C ATOM 829 O ARG A 130 5.988 -9.592 8.901 1.00 0.00 O ATOM 830 CB ARG A 130 7.939 -7.182 8.982 1.00 0.00 C ATOM 831 CG ARG A 130 9.199 -6.338 9.074 1.00 0.00 C ATOM 832 CD ARG A 130 9.566 -6.039 10.519 1.00 0.00 C ATOM 833 NE ARG A 130 10.395 -7.091 11.102 1.00 0.00 N ATOM 834 CZ ARG A 130 10.552 -7.262 12.410 1.00 0.00 C ATOM 835 NH1 ARG A 130 9.940 -6.455 13.266 1.00 0.00 N ATOM 836 NH2 ARG A 130 11.323 -8.242 12.864 1.00 0.00 N ATOM 0 H ARG A 130 8.027 -9.543 7.378 1.00 0.00 H new ATOM 0 HA ARG A 130 8.897 -8.758 10.085 1.00 0.00 H new ATOM 0 HB2 ARG A 130 7.516 -7.081 7.982 1.00 0.00 H new ATOM 0 HB3 ARG A 130 7.199 -6.793 9.682 1.00 0.00 H new ATOM 0 HG2 ARG A 130 10.024 -6.860 8.589 1.00 0.00 H new ATOM 0 HG3 ARG A 130 9.052 -5.403 8.534 1.00 0.00 H new ATOM 0 HD2 ARG A 130 10.098 -5.089 10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 130 8.656 -5.926 11.108 1.00 0.00 H new ATOM 0 HE ARG A 130 10.880 -7.729 10.471 1.00 0.00 H new ATOM 0 HH11 ARG A 130 9.347 -5.701 12.921 1.00 0.00 H new ATOM 0 HH12 ARG A 130 10.062 -6.589 14.270 1.00 0.00 H new ATOM 0 HH21 ARG A 130 11.796 -8.864 12.209 1.00 0.00 H new ATOM 0 HH22 ARG A 130 11.443 -8.373 13.868 1.00 0.00 H new ATOM 850 N SER A 131 6.744 -9.565 11.020 1.00 0.00 N ATOM 851 CA SER A 131 5.548 -10.189 11.572 1.00 0.00 C ATOM 852 C SER A 131 4.291 -9.459 11.108 1.00 0.00 C ATOM 853 O SER A 131 4.310 -8.263 10.814 1.00 0.00 O ATOM 854 CB SER A 131 5.611 -10.201 13.100 1.00 0.00 C ATOM 855 OG SER A 131 6.873 -10.656 13.555 1.00 0.00 O ATOM 0 H SER A 131 7.460 -9.342 11.711 1.00 0.00 H new ATOM 0 HA SER A 131 5.505 -11.216 11.210 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.423 -9.198 13.483 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.825 -10.845 13.494 1.00 0.00 H new ATOM 0 HG SER A 131 6.888 -10.653 14.535 1.00 0.00 H new ATOM 861 N PRO A 132 3.171 -10.194 11.041 1.00 0.00 N ATOM 862 CA PRO A 132 1.884 -9.637 10.615 1.00 0.00 C ATOM 863 C PRO A 132 1.303 -8.668 11.639 1.00 0.00 C ATOM 864 O PRO A 132 0.693 -7.660 11.281 1.00 0.00 O ATOM 865 CB PRO A 132 0.990 -10.873 10.482 1.00 0.00 C ATOM 866 CG PRO A 132 1.593 -11.878 11.401 1.00 0.00 C ATOM 867 CD PRO A 132 3.075 -11.624 11.377 1.00 0.00 C ATOM 0 HA PRO A 132 1.975 -9.058 9.696 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.039 -10.649 10.761 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.969 -11.238 9.455 1.00 0.00 H new ATOM 0 HG2 PRO A 132 1.195 -11.772 12.410 1.00 0.00 H new ATOM 0 HG3 PRO A 132 1.366 -12.892 11.073 1.00 0.00 H new ATOM 0 HD2 PRO A 132 3.536 -11.842 12.341 1.00 0.00 H new ATOM 0 HD3 PRO A 132 3.577 -12.246 10.636 1.00 0.00 H new ATOM 875 N THR A 133 1.497 -8.979 12.918 1.00 0.00 N ATOM 876 CA THR A 133 0.992 -8.136 13.994 1.00 0.00 C ATOM 877 C THR A 133 1.644 -6.758 13.965 1.00 0.00 C ATOM 878 O THR A 133 0.997 -5.749 14.247 1.00 0.00 O ATOM 879 CB THR A 133 1.238 -8.778 15.372 1.00 0.00 C ATOM 880 OG1 THR A 133 2.419 -9.586 15.333 1.00 0.00 O ATOM 881 CG2 THR A 133 0.049 -9.628 15.793 1.00 0.00 C ATOM 0 H THR A 133 2.000 -9.808 13.233 1.00 0.00 H new ATOM 0 HA THR A 133 -0.081 -8.031 13.836 1.00 0.00 H new ATOM 0 HB THR A 133 1.370 -7.979 16.102 1.00 0.00 H new ATOM 0 HG1 THR A 133 2.569 -9.989 16.214 1.00 0.00 H new ATOM 0 HG21 THR A 133 0.246 -10.071 16.769 1.00 0.00 H new ATOM 0 HG22 THR A 133 -0.842 -9.003 15.851 1.00 0.00 H new ATOM 0 HG23 THR A 133 -0.110 -10.420 15.061 1.00 0.00 H new ATOM 889 N MET A 134 2.927 -6.722 13.620 1.00 0.00 N ATOM 890 CA MET A 134 3.664 -5.466 13.552 1.00 0.00 C ATOM 891 C MET A 134 3.024 -4.513 12.548 1.00 0.00 C ATOM 892 O MET A 134 2.808 -3.337 12.844 1.00 0.00 O ATOM 893 CB MET A 134 5.122 -5.726 13.168 1.00 0.00 C ATOM 894 CG MET A 134 5.871 -6.588 14.172 1.00 0.00 C ATOM 895 SD MET A 134 6.310 -5.686 15.671 1.00 0.00 S ATOM 896 CE MET A 134 7.808 -4.859 15.141 1.00 0.00 C ATOM 0 H MET A 134 3.477 -7.548 13.383 1.00 0.00 H new ATOM 0 HA MET A 134 3.632 -5.001 14.538 1.00 0.00 H new ATOM 0 HB2 MET A 134 5.151 -6.211 12.192 1.00 0.00 H new ATOM 0 HB3 MET A 134 5.638 -4.771 13.065 1.00 0.00 H new ATOM 0 HG2 MET A 134 5.256 -7.448 14.437 1.00 0.00 H new ATOM 0 HG3 MET A 134 6.778 -6.976 13.707 1.00 0.00 H new ATOM 0 HE1 MET A 134 7.858 -3.870 15.596 1.00 0.00 H new ATOM 0 HE2 MET A 134 8.675 -5.444 15.448 1.00 0.00 H new ATOM 0 HE3 MET A 134 7.804 -4.759 14.056 1.00 0.00 H new ATOM 906 N CYS A 135 2.724 -5.027 11.360 1.00 0.00 N ATOM 907 CA CYS A 135 2.109 -4.221 10.311 1.00 0.00 C ATOM 908 C CYS A 135 0.746 -3.699 10.755 1.00 0.00 C ATOM 909 O CYS A 135 0.373 -2.566 10.449 1.00 0.00 O ATOM 910 CB CYS A 135 1.962 -5.041 9.029 1.00 0.00 C ATOM 911 SG CYS A 135 3.496 -5.820 8.471 1.00 0.00 S ATOM 0 H CYS A 135 2.897 -5.998 11.099 1.00 0.00 H new ATOM 0 HA CYS A 135 2.758 -3.368 10.115 1.00 0.00 H new ATOM 0 HB2 CYS A 135 1.212 -5.815 9.190 1.00 0.00 H new ATOM 0 HB3 CYS A 135 1.587 -4.393 8.237 1.00 0.00 H new ATOM 0 HG CYS A 135 3.846 -6.743 9.317 1.00 0.00 H new ATOM 917 N THR A 136 0.005 -4.534 11.477 1.00 0.00 N ATOM 918 CA THR A 136 -1.317 -4.159 11.961 1.00 0.00 C ATOM 919 C THR A 136 -1.241 -2.955 12.893 1.00 0.00 C ATOM 920 O THR A 136 -1.819 -1.905 12.615 1.00 0.00 O ATOM 921 CB THR A 136 -1.996 -5.326 12.702 1.00 0.00 C ATOM 922 OG1 THR A 136 -2.112 -6.458 11.833 1.00 0.00 O ATOM 923 CG2 THR A 136 -3.375 -4.921 13.201 1.00 0.00 C ATOM 0 H THR A 136 0.299 -5.475 11.739 1.00 0.00 H new ATOM 0 HA THR A 136 -1.912 -3.899 11.085 1.00 0.00 H new ATOM 0 HB THR A 136 -1.379 -5.590 13.561 1.00 0.00 H new ATOM 0 HG1 THR A 136 -2.586 -6.196 11.016 1.00 0.00 H new ATOM 0 HG21 THR A 136 -3.835 -5.761 13.721 1.00 0.00 H new ATOM 0 HG22 THR A 136 -3.281 -4.078 13.886 1.00 0.00 H new ATOM 0 HG23 THR A 136 -3.998 -4.633 12.354 1.00 0.00 H new ATOM 931 N ASP A 137 -0.523 -3.114 14.000 1.00 0.00 N ATOM 932 CA ASP A 137 -0.370 -2.039 14.973 1.00 0.00 C ATOM 933 C ASP A 137 0.321 -0.833 14.345 1.00 0.00 C ATOM 934 O ASP A 137 -0.092 0.309 14.548 1.00 0.00 O ATOM 935 CB ASP A 137 0.429 -2.527 16.182 1.00 0.00 C ATOM 936 CG ASP A 137 0.062 -1.789 17.455 1.00 0.00 C ATOM 937 OD1 ASP A 137 0.576 -0.670 17.660 1.00 0.00 O ATOM 938 OD2 ASP A 137 -0.738 -2.332 18.246 1.00 0.00 O ATOM 0 H ASP A 137 -0.038 -3.977 14.245 1.00 0.00 H new ATOM 0 HA ASP A 137 -1.364 -1.736 15.302 1.00 0.00 H new ATOM 0 HB2 ASP A 137 0.256 -3.594 16.321 1.00 0.00 H new ATOM 0 HB3 ASP A 137 1.494 -2.400 15.986 1.00 0.00 H new ATOM 943 N LYS A 138 1.377 -1.093 13.581 1.00 0.00 N ATOM 944 CA LYS A 138 2.127 -0.030 12.923 1.00 0.00 C ATOM 945 C LYS A 138 1.196 0.882 12.130 1.00 0.00 C ATOM 946 O LYS A 138 1.283 2.106 12.225 1.00 0.00 O ATOM 947 CB LYS A 138 3.187 -0.625 11.994 1.00 0.00 C ATOM 948 CG LYS A 138 3.804 0.389 11.046 1.00 0.00 C ATOM 949 CD LYS A 138 4.551 1.475 11.800 1.00 0.00 C ATOM 950 CE LYS A 138 5.644 2.097 10.945 1.00 0.00 C ATOM 951 NZ LYS A 138 6.468 3.067 11.717 1.00 0.00 N ATOM 0 H LYS A 138 1.733 -2.032 13.402 1.00 0.00 H new ATOM 0 HA LYS A 138 2.619 0.563 13.693 1.00 0.00 H new ATOM 0 HB2 LYS A 138 3.977 -1.073 12.597 1.00 0.00 H new ATOM 0 HB3 LYS A 138 2.737 -1.428 11.411 1.00 0.00 H new ATOM 0 HG2 LYS A 138 4.487 -0.118 10.364 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.022 0.841 10.436 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.850 2.248 12.115 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.990 1.055 12.705 1.00 0.00 H new ATOM 0 HE2 LYS A 138 6.286 1.311 10.548 1.00 0.00 H new ATOM 0 HE3 LYS A 138 5.193 2.602 10.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 7.202 3.469 11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 5.860 3.831 12.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 6.919 2.580 12.518 1.00 0.00 H new ATOM 965 N TRP A 139 0.305 0.278 11.352 1.00 0.00 N ATOM 966 CA TRP A 139 -0.643 1.037 10.545 1.00 0.00 C ATOM 967 C TRP A 139 -1.505 1.939 11.422 1.00 0.00 C ATOM 968 O TRP A 139 -1.596 3.144 11.188 1.00 0.00 O ATOM 969 CB TRP A 139 -1.532 0.088 9.739 1.00 0.00 C ATOM 970 CG TRP A 139 -2.492 0.799 8.834 1.00 0.00 C ATOM 971 CD1 TRP A 139 -3.783 1.143 9.116 1.00 0.00 C ATOM 972 CD2 TRP A 139 -2.237 1.250 7.499 1.00 0.00 C ATOM 973 NE1 TRP A 139 -4.346 1.781 8.037 1.00 0.00 N ATOM 974 CE2 TRP A 139 -3.418 1.860 7.033 1.00 0.00 C ATOM 975 CE3 TRP A 139 -1.126 1.200 6.653 1.00 0.00 C ATOM 976 CZ2 TRP A 139 -3.517 2.413 5.759 1.00 0.00 C ATOM 977 CZ3 TRP A 139 -1.226 1.749 5.389 1.00 0.00 C ATOM 978 CH2 TRP A 139 -2.414 2.350 4.952 1.00 0.00 C ATOM 0 H TRP A 139 0.219 -0.734 11.263 1.00 0.00 H new ATOM 0 HA TRP A 139 -0.076 1.665 9.858 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -0.901 -0.571 9.142 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -2.093 -0.545 10.427 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -4.287 0.943 10.050 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -5.300 2.138 7.991 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -0.205 0.740 6.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.432 2.875 5.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.374 1.714 4.726 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.460 2.772 3.959 1.00 0.00 H new ATOM 989 N ARG A 140 -2.136 1.348 12.431 1.00 0.00 N ATOM 990 CA ARG A 140 -2.991 2.099 13.342 1.00 0.00 C ATOM 991 C ARG A 140 -2.341 3.424 13.730 1.00 0.00 C ATOM 992 O ARG A 140 -2.983 4.473 13.701 1.00 0.00 O ATOM 993 CB ARG A 140 -3.283 1.275 14.598 1.00 0.00 C ATOM 994 CG ARG A 140 -4.527 0.409 14.482 1.00 0.00 C ATOM 995 CD ARG A 140 -4.198 -0.967 13.924 1.00 0.00 C ATOM 996 NE ARG A 140 -4.279 -1.000 12.466 1.00 0.00 N ATOM 997 CZ ARG A 140 -5.424 -1.000 11.794 1.00 0.00 C ATOM 998 NH1 ARG A 140 -6.579 -0.969 12.445 1.00 0.00 N ATOM 999 NH2 ARG A 140 -5.416 -1.031 10.467 1.00 0.00 N ATOM 0 H ARG A 140 -2.071 0.351 12.638 1.00 0.00 H new ATOM 0 HA ARG A 140 -3.929 2.311 12.828 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -2.425 0.637 14.812 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -3.398 1.950 15.446 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -4.991 0.304 15.463 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.255 0.900 13.836 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -3.195 -1.255 14.238 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -4.886 -1.702 14.342 1.00 0.00 H new ATOM 0 HE ARG A 140 -3.408 -1.024 11.935 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -6.589 -0.945 13.465 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -7.457 -0.969 11.926 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -4.530 -1.055 9.963 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -6.296 -1.031 9.952 1.00 0.00 H new ATOM 1013 N ASN A 141 -1.064 3.367 14.094 1.00 0.00 N ATOM 1014 CA ASN A 141 -0.328 4.562 14.489 1.00 0.00 C ATOM 1015 C ASN A 141 -0.272 5.569 13.344 1.00 0.00 C ATOM 1016 O ASN A 141 -0.502 6.763 13.542 1.00 0.00 O ATOM 1017 CB ASN A 141 1.091 4.191 14.926 1.00 0.00 C ATOM 1018 CG ASN A 141 1.662 5.174 15.929 1.00 0.00 C ATOM 1019 OD1 ASN A 141 0.948 5.682 16.793 1.00 0.00 O ATOM 1020 ND2 ASN A 141 2.957 5.446 15.819 1.00 0.00 N ATOM 0 H ASN A 141 -0.518 2.506 14.124 1.00 0.00 H new ATOM 0 HA ASN A 141 -0.851 5.020 15.328 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.084 3.193 15.363 1.00 0.00 H new ATOM 0 HB3 ASN A 141 1.739 4.151 14.051 1.00 0.00 H new ATOM 0 HD21 ASN A 141 3.398 6.099 16.466 1.00 0.00 H new ATOM 0 HD22 ASN A 141 3.511 5.001 15.087 1.00 0.00 H new ATOM 1027 N LEU A 142 0.035 5.081 12.148 1.00 0.00 N ATOM 1028 CA LEU A 142 0.120 5.938 10.970 1.00 0.00 C ATOM 1029 C LEU A 142 -1.151 6.765 10.805 1.00 0.00 C ATOM 1030 O LEU A 142 -1.102 7.920 10.380 1.00 0.00 O ATOM 1031 CB LEU A 142 0.359 5.094 9.717 1.00 0.00 C ATOM 1032 CG LEU A 142 1.789 4.594 9.507 1.00 0.00 C ATOM 1033 CD1 LEU A 142 1.831 3.543 8.409 1.00 0.00 C ATOM 1034 CD2 LEU A 142 2.715 5.755 9.172 1.00 0.00 C ATOM 0 H LEU A 142 0.229 4.096 11.968 1.00 0.00 H new ATOM 0 HA LEU A 142 0.960 6.620 11.107 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -0.305 4.230 9.753 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.070 5.682 8.846 1.00 0.00 H new ATOM 0 HG LEU A 142 2.133 4.135 10.434 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.856 3.199 8.274 1.00 0.00 H new ATOM 0 HD12 LEU A 142 1.199 2.700 8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.468 3.976 7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.729 5.382 9.026 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.372 6.242 8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.708 6.474 9.991 1.00 0.00 H new ATOM 1046 N LEU A 143 -2.288 6.167 11.146 1.00 0.00 N ATOM 1047 CA LEU A 143 -3.573 6.849 11.038 1.00 0.00 C ATOM 1048 C LEU A 143 -3.686 7.964 12.073 1.00 0.00 C ATOM 1049 O LEU A 143 -4.120 9.074 11.762 1.00 0.00 O ATOM 1050 CB LEU A 143 -4.718 5.852 11.219 1.00 0.00 C ATOM 1051 CG LEU A 143 -4.644 4.583 10.369 1.00 0.00 C ATOM 1052 CD1 LEU A 143 -5.739 3.607 10.770 1.00 0.00 C ATOM 1053 CD2 LEU A 143 -4.749 4.926 8.890 1.00 0.00 C ATOM 0 H LEU A 143 -2.346 5.212 11.499 1.00 0.00 H new ATOM 0 HA LEU A 143 -3.639 7.292 10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -4.757 5.560 12.269 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -5.655 6.361 10.995 1.00 0.00 H new ATOM 0 HG LEU A 143 -3.679 4.107 10.544 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -5.670 2.710 10.154 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -5.619 3.337 11.819 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -6.713 4.073 10.624 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -4.695 4.011 8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -5.699 5.425 8.699 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -3.929 5.587 8.611 1.00 0.00 H new ATOM 1065 N LYS A 144 -3.291 7.663 13.305 1.00 0.00 N ATOM 1066 CA LYS A 144 -3.344 8.640 14.387 1.00 0.00 C ATOM 1067 C LYS A 144 -2.462 9.845 14.076 1.00 0.00 C ATOM 1068 O LYS A 144 -2.862 10.988 14.290 1.00 0.00 O ATOM 1069 CB LYS A 144 -2.903 7.997 15.704 1.00 0.00 C ATOM 1070 CG LYS A 144 -2.851 8.971 16.868 1.00 0.00 C ATOM 1071 CD LYS A 144 -4.243 9.301 17.381 1.00 0.00 C ATOM 1072 CE LYS A 144 -4.211 9.741 18.837 1.00 0.00 C ATOM 1073 NZ LYS A 144 -3.443 11.005 19.017 1.00 0.00 N ATOM 0 H LYS A 144 -2.930 6.749 13.580 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.374 8.982 14.484 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -3.588 7.186 15.950 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -1.917 7.552 15.569 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -2.257 8.543 17.675 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -2.351 9.887 16.555 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -4.679 10.092 16.770 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -4.886 8.427 17.278 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -5.230 9.881 19.197 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -3.764 8.954 19.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -3.459 11.281 20.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -2.459 10.860 18.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -3.875 11.758 18.444 1.00 0.00 H new ATOM 1087 N GLU A 145 -1.262 9.579 13.569 1.00 0.00 N ATOM 1088 CA GLU A 145 -0.325 10.643 13.228 1.00 0.00 C ATOM 1089 C GLU A 145 -0.771 11.378 11.967 1.00 0.00 C ATOM 1090 O GLU A 145 -0.706 12.605 11.895 1.00 0.00 O ATOM 1091 CB GLU A 145 1.080 10.071 13.028 1.00 0.00 C ATOM 1092 CG GLU A 145 1.241 9.291 11.733 1.00 0.00 C ATOM 1093 CD GLU A 145 2.644 8.748 11.550 1.00 0.00 C ATOM 1094 OE1 GLU A 145 3.221 8.247 12.538 1.00 0.00 O ATOM 1095 OE2 GLU A 145 3.166 8.823 10.418 1.00 0.00 O ATOM 0 H GLU A 145 -0.916 8.637 13.386 1.00 0.00 H new ATOM 0 HA GLU A 145 -0.306 11.354 14.054 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.801 10.888 13.042 1.00 0.00 H new ATOM 0 HB3 GLU A 145 1.321 9.419 13.868 1.00 0.00 H new ATOM 0 HG2 GLU A 145 0.531 8.464 11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 145 0.993 9.937 10.891 1.00 0.00 H new