USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 875 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 94 TYR OH : rot 180:sc=-0.000128 USER MOD Set 1.2: A 98 HIS :FLIP no HE2:sc= -3.72! C(o=-4.5!,f=-3.7!) USER MOD Set 2.1: A 66 LYS NZ :NH3+ -108:sc= -1.68! (180deg=-4.35!) USER MOD Set 2.2: A 67 HIS :FLIP no HE2:sc= -3.75! C(o=-9.3!,f=-5.4!) USER MOD Set 3.1: A 23 TYR OH : rot 165:sc= 0 USER MOD Set 3.2: A 34 MET CE :methyl -141:sc= -3.62 (180deg=-8.45!) USER MOD Set 4.1: A 14 ASN : amide:sc=-0.00671 X(o=-2.9,f=-3.2) USER MOD Set 4.2: A 16 HIS : no HD1:sc= -2.9 X(o=-2.9,f=-3.1) USER MOD Single : A 18 SER OG : rot -70:sc= 1.13 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00484 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc=0.000636 USER MOD Single : A 71 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.5) USER MOD Single : A 76 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.63) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -71:sc= 0.262 USER MOD Single : A 87 SER OG : rot 24:sc= 0.184 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.102 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 167:sc= -0.006 (180deg=-0.143) USER MOD Single : A 104 MET CE :methyl -161:sc= -0.326 (180deg=-0.713) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.0019 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -3.692 -9.507 -10.671 1.00 0.00 N ATOM 151 CA ASN A 14 -3.320 -8.600 -9.591 1.00 0.00 C ATOM 152 C ASN A 14 -2.714 -7.314 -10.145 1.00 0.00 C ATOM 153 O ASN A 14 -1.498 -7.122 -10.144 1.00 0.00 O ATOM 154 CB ASN A 14 -2.328 -9.280 -8.646 1.00 0.00 C ATOM 155 CG ASN A 14 -2.736 -10.699 -8.301 1.00 0.00 C ATOM 156 OD1 ASN A 14 -2.532 -11.624 -9.088 1.00 0.00 O ATOM 157 ND2 ASN A 14 -3.316 -10.877 -7.120 1.00 0.00 N ATOM 0 HA ASN A 14 -4.223 -8.345 -9.036 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.341 -9.291 -9.107 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.245 -8.696 -7.729 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.613 -11.810 -6.833 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.465 -10.081 -6.500 1.00 0.00 H new ATOM 164 N PRO A 15 -3.580 -6.412 -10.629 1.00 0.00 N ATOM 165 CA PRO A 15 -3.153 -5.128 -11.193 1.00 0.00 C ATOM 166 C PRO A 15 -2.608 -4.180 -10.131 1.00 0.00 C ATOM 167 O PRO A 15 -1.837 -3.269 -10.434 1.00 0.00 O ATOM 168 CB PRO A 15 -4.439 -4.565 -11.804 1.00 0.00 C ATOM 169 CG PRO A 15 -5.539 -5.204 -11.029 1.00 0.00 C ATOM 170 CD PRO A 15 -5.043 -6.575 -10.661 1.00 0.00 C ATOM 0 HA PRO A 15 -2.340 -5.247 -11.910 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.475 -3.479 -11.720 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.511 -4.805 -12.865 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.777 -4.623 -10.138 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.451 -5.265 -11.623 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.432 -6.897 -9.695 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.348 -7.323 -11.393 1.00 0.00 H new ATOM 178 N HIS A 16 -3.013 -4.400 -8.884 1.00 0.00 N ATOM 179 CA HIS A 16 -2.564 -3.565 -7.776 1.00 0.00 C ATOM 180 C HIS A 16 -1.067 -3.738 -7.537 1.00 0.00 C ATOM 181 O HIS A 16 -0.314 -2.765 -7.528 1.00 0.00 O ATOM 182 CB HIS A 16 -3.338 -3.910 -6.503 1.00 0.00 C ATOM 183 CG HIS A 16 -3.333 -5.372 -6.176 1.00 0.00 C ATOM 184 ND1 HIS A 16 -4.248 -6.262 -6.697 1.00 0.00 N ATOM 185 CD2 HIS A 16 -2.516 -6.097 -5.378 1.00 0.00 C ATOM 186 CE1 HIS A 16 -3.995 -7.472 -6.231 1.00 0.00 C ATOM 187 NE2 HIS A 16 -2.948 -7.400 -5.428 1.00 0.00 N ATOM 0 H HIS A 16 -3.651 -5.149 -8.616 1.00 0.00 H new ATOM 0 HA HIS A 16 -2.755 -2.524 -8.038 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -2.910 -3.358 -5.667 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -4.369 -3.574 -6.612 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.679 -5.721 -4.808 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.550 -8.368 -6.466 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -2.529 -8.184 -4.927 1.00 0.00 H new ATOM 196 N GLU A 17 -0.644 -4.984 -7.344 1.00 0.00 N ATOM 197 CA GLU A 17 0.763 -5.283 -7.104 1.00 0.00 C ATOM 198 C GLU A 17 1.660 -4.446 -8.011 1.00 0.00 C ATOM 199 O GLU A 17 2.810 -4.163 -7.675 1.00 0.00 O ATOM 200 CB GLU A 17 1.037 -6.771 -7.330 1.00 0.00 C ATOM 201 CG GLU A 17 0.698 -7.642 -6.132 1.00 0.00 C ATOM 202 CD GLU A 17 1.287 -9.035 -6.238 1.00 0.00 C ATOM 203 OE1 GLU A 17 2.272 -9.208 -6.985 1.00 0.00 O ATOM 204 OE2 GLU A 17 0.761 -9.953 -5.573 1.00 0.00 O ATOM 0 H GLU A 17 -1.255 -5.801 -7.349 1.00 0.00 H new ATOM 0 HA GLU A 17 0.989 -5.033 -6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.461 -7.111 -8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.090 -6.904 -7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.066 -7.164 -5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.385 -7.716 -6.036 1.00 0.00 H new ATOM 211 N SER A 18 1.125 -4.052 -9.162 1.00 0.00 N ATOM 212 CA SER A 18 1.877 -3.251 -10.121 1.00 0.00 C ATOM 213 C SER A 18 1.722 -1.763 -9.825 1.00 0.00 C ATOM 214 O SER A 18 2.661 -0.984 -9.987 1.00 0.00 O ATOM 215 CB SER A 18 1.410 -3.552 -11.546 1.00 0.00 C ATOM 216 OG SER A 18 0.167 -2.929 -11.817 1.00 0.00 O ATOM 0 H SER A 18 0.173 -4.274 -9.453 1.00 0.00 H new ATOM 0 HA SER A 18 2.931 -3.513 -10.030 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.158 -3.204 -12.258 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.318 -4.630 -11.682 1.00 0.00 H new ATOM 0 HG SER A 18 -0.541 -3.375 -11.306 1.00 0.00 H new ATOM 222 N LYS A 19 0.527 -1.374 -9.391 1.00 0.00 N ATOM 223 CA LYS A 19 0.246 0.020 -9.071 1.00 0.00 C ATOM 224 C LYS A 19 1.464 0.692 -8.445 1.00 0.00 C ATOM 225 O LYS A 19 2.215 0.083 -7.683 1.00 0.00 O ATOM 226 CB LYS A 19 -0.948 0.115 -8.119 1.00 0.00 C ATOM 227 CG LYS A 19 -2.273 -0.248 -8.766 1.00 0.00 C ATOM 228 CD LYS A 19 -2.774 0.863 -9.673 1.00 0.00 C ATOM 229 CE LYS A 19 -4.027 0.445 -10.427 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.136 1.130 -11.745 1.00 0.00 N ATOM 0 H LYS A 19 -0.262 -2.005 -9.253 1.00 0.00 H new ATOM 0 HA LYS A 19 0.005 0.538 -9.999 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.776 -0.544 -7.268 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.010 1.131 -7.728 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.158 -1.166 -9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.014 -0.449 -7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.985 1.752 -9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.993 1.133 -10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.016 -0.634 -10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.906 0.674 -9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.003 0.818 -12.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.172 2.159 -11.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.310 0.892 -12.330 1.00 0.00 H new ATOM 244 N PRO A 20 1.665 1.977 -8.771 1.00 0.00 N ATOM 245 CA PRO A 20 2.790 2.759 -8.250 1.00 0.00 C ATOM 246 C PRO A 20 2.648 3.058 -6.761 1.00 0.00 C ATOM 247 O PRO A 20 3.633 3.067 -6.024 1.00 0.00 O ATOM 248 CB PRO A 20 2.729 4.054 -9.063 1.00 0.00 C ATOM 249 CG PRO A 20 1.304 4.173 -9.480 1.00 0.00 C ATOM 250 CD PRO A 20 0.811 2.766 -9.675 1.00 0.00 C ATOM 0 HA PRO A 20 3.735 2.225 -8.344 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.040 4.911 -8.466 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.392 4.011 -9.927 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.717 4.690 -8.721 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.214 4.749 -10.401 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.244 2.670 -9.417 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.916 2.443 -10.711 1.00 0.00 H new ATOM 258 N TRP A 21 1.417 3.301 -6.327 1.00 0.00 N ATOM 259 CA TRP A 21 1.146 3.599 -4.925 1.00 0.00 C ATOM 260 C TRP A 21 1.163 2.327 -4.085 1.00 0.00 C ATOM 261 O TRP A 21 0.856 2.356 -2.892 1.00 0.00 O ATOM 262 CB TRP A 21 -0.205 4.302 -4.784 1.00 0.00 C ATOM 263 CG TRP A 21 -1.266 3.734 -5.677 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.684 4.239 -6.875 1.00 0.00 C ATOM 265 CD2 TRP A 21 -2.044 2.555 -5.443 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.676 3.444 -7.400 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.913 2.405 -6.540 1.00 0.00 C ATOM 268 CE3 TRP A 21 -2.088 1.611 -4.414 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.817 1.349 -6.635 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.985 0.564 -4.509 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.839 0.439 -5.613 1.00 0.00 C ATOM 0 H TRP A 21 0.591 3.298 -6.925 1.00 0.00 H new ATOM 0 HA TRP A 21 1.931 4.262 -4.561 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.536 4.232 -3.748 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.080 5.361 -5.008 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.293 5.131 -7.341 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.157 3.602 -8.286 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.433 1.698 -3.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.477 1.252 -7.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -3.029 -0.171 -3.719 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.528 -0.392 -5.658 1.00 0.00 H new ATOM 282 N TYR A 22 1.522 1.213 -4.712 1.00 0.00 N ATOM 283 CA TYR A 22 1.576 -0.070 -4.022 1.00 0.00 C ATOM 284 C TYR A 22 2.961 -0.313 -3.431 1.00 0.00 C ATOM 285 O TYR A 22 3.974 -0.171 -4.117 1.00 0.00 O ATOM 286 CB TYR A 22 1.211 -1.204 -4.981 1.00 0.00 C ATOM 287 CG TYR A 22 1.231 -2.572 -4.336 1.00 0.00 C ATOM 288 CD1 TYR A 22 0.120 -3.056 -3.655 1.00 0.00 C ATOM 289 CD2 TYR A 22 2.359 -3.379 -4.406 1.00 0.00 C ATOM 290 CE1 TYR A 22 0.133 -4.304 -3.063 1.00 0.00 C ATOM 291 CE2 TYR A 22 2.380 -4.630 -3.819 1.00 0.00 C ATOM 292 CZ TYR A 22 1.265 -5.087 -3.148 1.00 0.00 C ATOM 293 OH TYR A 22 1.283 -6.332 -2.561 1.00 0.00 O ATOM 0 H TYR A 22 1.780 1.172 -5.698 1.00 0.00 H new ATOM 0 HA TYR A 22 0.853 -0.046 -3.207 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.217 -1.018 -5.389 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.906 -1.197 -5.820 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.769 -2.446 -3.588 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.235 -3.023 -4.928 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.738 -4.664 -2.537 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.264 -5.246 -3.885 1.00 0.00 H new ATOM 0 HH TYR A 22 2.154 -6.753 -2.714 1.00 0.00 H new ATOM 303 N TYR A 23 2.997 -0.680 -2.155 1.00 0.00 N ATOM 304 CA TYR A 23 4.257 -0.942 -1.470 1.00 0.00 C ATOM 305 C TYR A 23 4.346 -2.401 -1.032 1.00 0.00 C ATOM 306 O TYR A 23 3.379 -2.968 -0.523 1.00 0.00 O ATOM 307 CB TYR A 23 4.403 -0.023 -0.256 1.00 0.00 C ATOM 308 CG TYR A 23 4.850 1.378 -0.607 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.172 1.643 -0.941 1.00 0.00 C ATOM 310 CD2 TYR A 23 3.950 2.437 -0.605 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.586 2.921 -1.262 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.354 3.718 -0.926 1.00 0.00 C ATOM 313 CZ TYR A 23 5.673 3.955 -1.253 1.00 0.00 C ATOM 314 OH TYR A 23 6.080 5.231 -1.572 1.00 0.00 O ATOM 0 H TYR A 23 2.168 -0.803 -1.574 1.00 0.00 H new ATOM 0 HA TYR A 23 5.069 -0.741 -2.168 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.448 0.030 0.266 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.121 -0.462 0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.889 0.835 -0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.917 2.255 -0.348 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.618 3.110 -1.518 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.641 4.530 -0.921 1.00 0.00 H new ATOM 0 HH TYR A 23 5.295 5.789 -1.753 1.00 0.00 H new ATOM 324 N ASP A 24 5.514 -3.001 -1.232 1.00 0.00 N ATOM 325 CA ASP A 24 5.732 -4.394 -0.856 1.00 0.00 C ATOM 326 C ASP A 24 6.824 -4.506 0.203 1.00 0.00 C ATOM 327 O ASP A 24 6.741 -5.335 1.109 1.00 0.00 O ATOM 328 CB ASP A 24 6.109 -5.223 -2.085 1.00 0.00 C ATOM 329 CG ASP A 24 7.603 -5.224 -2.346 1.00 0.00 C ATOM 330 OD1 ASP A 24 8.092 -4.279 -3.001 1.00 0.00 O ATOM 331 OD2 ASP A 24 8.283 -6.169 -1.896 1.00 0.00 O ATOM 0 H ASP A 24 6.324 -2.546 -1.652 1.00 0.00 H new ATOM 0 HA ASP A 24 4.803 -4.781 -0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.766 -6.249 -1.947 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.591 -4.829 -2.959 1.00 0.00 H new ATOM 336 N ARG A 25 7.847 -3.666 0.083 1.00 0.00 N ATOM 337 CA ARG A 25 8.956 -3.673 1.029 1.00 0.00 C ATOM 338 C ARG A 25 8.928 -2.426 1.908 1.00 0.00 C ATOM 339 O ARG A 25 9.970 -1.843 2.211 1.00 0.00 O ATOM 340 CB ARG A 25 10.290 -3.754 0.283 1.00 0.00 C ATOM 341 CG ARG A 25 10.705 -2.444 -0.366 1.00 0.00 C ATOM 342 CD ARG A 25 11.640 -2.677 -1.542 1.00 0.00 C ATOM 343 NE ARG A 25 13.042 -2.683 -1.134 1.00 0.00 N ATOM 344 CZ ARG A 25 13.667 -3.758 -0.666 1.00 0.00 C ATOM 345 NH1 ARG A 25 13.017 -4.907 -0.547 1.00 0.00 N ATOM 346 NH2 ARG A 25 14.945 -3.684 -0.316 1.00 0.00 N ATOM 0 H ARG A 25 7.931 -2.972 -0.660 1.00 0.00 H new ATOM 0 HA ARG A 25 8.851 -4.550 1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.068 -4.067 0.980 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.221 -4.524 -0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.819 -1.908 -0.705 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.198 -1.811 0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.396 -3.628 -2.016 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.483 -1.899 -2.289 1.00 0.00 H new ATOM 0 HE ARG A 25 13.571 -1.814 -1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.035 -4.967 -0.815 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.499 -5.731 -0.187 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.448 -2.801 -0.406 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.424 -4.510 0.043 1.00 0.00 H new ATOM 360 N LEU A 26 7.730 -2.022 2.315 1.00 0.00 N ATOM 361 CA LEU A 26 7.565 -0.844 3.159 1.00 0.00 C ATOM 362 C LEU A 26 7.090 -1.236 4.555 1.00 0.00 C ATOM 363 O LEU A 26 6.445 -2.269 4.734 1.00 0.00 O ATOM 364 CB LEU A 26 6.570 0.128 2.524 1.00 0.00 C ATOM 365 CG LEU A 26 6.577 1.554 3.078 1.00 0.00 C ATOM 366 CD1 LEU A 26 7.866 2.267 2.698 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.368 2.328 2.573 1.00 0.00 C ATOM 0 H LEU A 26 6.858 -2.493 2.074 1.00 0.00 H new ATOM 0 HA LEU A 26 8.535 -0.354 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.771 0.175 1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.567 -0.281 2.642 1.00 0.00 H new ATOM 0 HG LEU A 26 6.521 1.502 4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.854 3.280 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.717 1.724 3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.952 2.309 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.389 3.340 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.393 2.371 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.455 1.828 2.896 1.00 0.00 H new ATOM 379 N SER A 27 7.412 -0.404 5.540 1.00 0.00 N ATOM 380 CA SER A 27 7.019 -0.665 6.920 1.00 0.00 C ATOM 381 C SER A 27 6.546 0.616 7.601 1.00 0.00 C ATOM 382 O SER A 27 6.974 1.715 7.246 1.00 0.00 O ATOM 383 CB SER A 27 8.189 -1.269 7.699 1.00 0.00 C ATOM 384 OG SER A 27 8.635 -2.472 7.098 1.00 0.00 O ATOM 0 H SER A 27 7.944 0.456 5.408 1.00 0.00 H new ATOM 0 HA SER A 27 6.193 -1.376 6.909 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.010 -0.553 7.741 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.884 -1.464 8.727 1.00 0.00 H new ATOM 0 HG SER A 27 9.384 -2.837 7.614 1.00 0.00 H new ATOM 390 N ARG A 28 5.662 0.465 8.581 1.00 0.00 N ATOM 391 CA ARG A 28 5.129 1.608 9.312 1.00 0.00 C ATOM 392 C ARG A 28 6.234 2.609 9.636 1.00 0.00 C ATOM 393 O ARG A 28 6.100 3.804 9.376 1.00 0.00 O ATOM 394 CB ARG A 28 4.452 1.145 10.603 1.00 0.00 C ATOM 395 CG ARG A 28 3.760 2.264 11.364 1.00 0.00 C ATOM 396 CD ARG A 28 3.206 1.775 12.693 1.00 0.00 C ATOM 397 NE ARG A 28 4.252 1.234 13.557 1.00 0.00 N ATOM 398 CZ ARG A 28 4.683 -0.021 13.491 1.00 0.00 C ATOM 399 NH1 ARG A 28 4.161 -0.859 12.606 1.00 0.00 N ATOM 400 NH2 ARG A 28 5.638 -0.439 14.311 1.00 0.00 N ATOM 0 H ARG A 28 5.300 -0.438 8.887 1.00 0.00 H new ATOM 0 HA ARG A 28 4.390 2.100 8.679 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.720 0.374 10.363 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.199 0.685 11.250 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.465 3.076 11.539 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.950 2.670 10.758 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.706 2.599 13.202 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.453 1.008 12.512 1.00 0.00 H new ATOM 0 HE ARG A 28 4.675 1.853 14.249 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.427 -0.541 11.974 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.494 -1.822 12.557 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.042 0.203 14.993 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.968 -1.403 14.260 1.00 0.00 H new ATOM 414 N GLY A 29 7.327 2.112 10.207 1.00 0.00 N ATOM 415 CA GLY A 29 8.439 2.976 10.558 1.00 0.00 C ATOM 416 C GLY A 29 8.738 4.002 9.483 1.00 0.00 C ATOM 417 O GLY A 29 9.046 5.154 9.785 1.00 0.00 O ATOM 0 H GLY A 29 7.462 1.127 10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.215 3.489 11.493 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.327 2.368 10.732 1.00 0.00 H new ATOM 421 N GLU A 30 8.650 3.581 8.225 1.00 0.00 N ATOM 422 CA GLU A 30 8.916 4.473 7.102 1.00 0.00 C ATOM 423 C GLU A 30 7.634 5.156 6.634 1.00 0.00 C ATOM 424 O GLU A 30 7.611 6.365 6.404 1.00 0.00 O ATOM 425 CB GLU A 30 9.545 3.696 5.944 1.00 0.00 C ATOM 426 CG GLU A 30 10.853 3.014 6.307 1.00 0.00 C ATOM 427 CD GLU A 30 11.405 2.169 5.175 1.00 0.00 C ATOM 428 OE1 GLU A 30 11.850 2.751 4.164 1.00 0.00 O ATOM 429 OE2 GLU A 30 11.390 0.926 5.300 1.00 0.00 O ATOM 0 H GLU A 30 8.397 2.630 7.958 1.00 0.00 H new ATOM 0 HA GLU A 30 9.614 5.240 7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.837 2.944 5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.720 4.378 5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.588 3.770 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.699 2.385 7.183 1.00 0.00 H new ATOM 436 N ALA A 31 6.570 4.373 6.495 1.00 0.00 N ATOM 437 CA ALA A 31 5.284 4.902 6.056 1.00 0.00 C ATOM 438 C ALA A 31 5.005 6.261 6.688 1.00 0.00 C ATOM 439 O ALA A 31 4.978 7.281 6.000 1.00 0.00 O ATOM 440 CB ALA A 31 4.169 3.923 6.392 1.00 0.00 C ATOM 0 H ALA A 31 6.573 3.370 6.680 1.00 0.00 H new ATOM 0 HA ALA A 31 5.323 5.035 4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.214 4.330 6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.354 2.974 5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.139 3.762 7.470 1.00 0.00 H new ATOM 446 N GLU A 32 4.798 6.268 8.001 1.00 0.00 N ATOM 447 CA GLU A 32 4.520 7.503 8.724 1.00 0.00 C ATOM 448 C GLU A 32 5.425 8.632 8.240 1.00 0.00 C ATOM 449 O GLU A 32 4.954 9.719 7.905 1.00 0.00 O ATOM 450 CB GLU A 32 4.707 7.293 10.228 1.00 0.00 C ATOM 451 CG GLU A 32 3.569 6.528 10.882 1.00 0.00 C ATOM 452 CD GLU A 32 3.604 6.611 12.396 1.00 0.00 C ATOM 453 OE1 GLU A 32 4.450 5.926 13.008 1.00 0.00 O ATOM 454 OE2 GLU A 32 2.786 7.361 12.968 1.00 0.00 O ATOM 0 H GLU A 32 4.818 5.432 8.585 1.00 0.00 H new ATOM 0 HA GLU A 32 3.484 7.782 8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.640 6.755 10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.806 8.264 10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.618 6.921 10.522 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.617 5.482 10.578 1.00 0.00 H new ATOM 461 N ASP A 33 6.726 8.366 8.208 1.00 0.00 N ATOM 462 CA ASP A 33 7.699 9.359 7.765 1.00 0.00 C ATOM 463 C ASP A 33 7.353 9.874 6.372 1.00 0.00 C ATOM 464 O ASP A 33 7.118 11.067 6.181 1.00 0.00 O ATOM 465 CB ASP A 33 9.107 8.761 7.767 1.00 0.00 C ATOM 466 CG ASP A 33 10.178 9.804 8.020 1.00 0.00 C ATOM 467 OD1 ASP A 33 9.939 10.712 8.842 1.00 0.00 O ATOM 468 OD2 ASP A 33 11.255 9.712 7.395 1.00 0.00 O ATOM 0 H ASP A 33 7.132 7.472 8.483 1.00 0.00 H new ATOM 0 HA ASP A 33 7.668 10.198 8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.169 7.987 8.532 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.294 8.277 6.809 1.00 0.00 H new ATOM 473 N MET A 34 7.325 8.967 5.401 1.00 0.00 N ATOM 474 CA MET A 34 7.008 9.330 4.025 1.00 0.00 C ATOM 475 C MET A 34 5.874 10.349 3.979 1.00 0.00 C ATOM 476 O MET A 34 5.953 11.351 3.267 1.00 0.00 O ATOM 477 CB MET A 34 6.625 8.086 3.221 1.00 0.00 C ATOM 478 CG MET A 34 7.817 7.236 2.812 1.00 0.00 C ATOM 479 SD MET A 34 7.523 6.313 1.291 1.00 0.00 S ATOM 480 CE MET A 34 5.913 5.606 1.631 1.00 0.00 C ATOM 0 H MET A 34 7.518 7.975 5.542 1.00 0.00 H new ATOM 0 HA MET A 34 7.896 9.781 3.581 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.941 7.477 3.813 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.085 8.394 2.326 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.688 7.878 2.680 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.054 6.539 3.616 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.874 4.587 1.246 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.741 5.594 2.707 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.142 6.206 1.147 1.00 0.00 H new ATOM 490 N LEU A 35 4.818 10.086 4.742 1.00 0.00 N ATOM 491 CA LEU A 35 3.666 10.980 4.788 1.00 0.00 C ATOM 492 C LEU A 35 4.074 12.370 5.265 1.00 0.00 C ATOM 493 O LEU A 35 3.794 13.371 4.606 1.00 0.00 O ATOM 494 CB LEU A 35 2.588 10.408 5.710 1.00 0.00 C ATOM 495 CG LEU A 35 1.564 9.483 5.052 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.800 10.221 3.964 1.00 0.00 C ATOM 497 CD2 LEU A 35 2.248 8.249 4.483 1.00 0.00 C ATOM 0 H LEU A 35 4.736 9.261 5.337 1.00 0.00 H new ATOM 0 HA LEU A 35 3.264 11.066 3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.079 9.860 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.054 11.239 6.171 1.00 0.00 H new ATOM 0 HG LEU A 35 0.852 9.161 5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.076 9.547 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.278 11.073 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.498 10.573 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.504 7.602 4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.982 8.552 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.749 7.708 5.286 1.00 0.00 H new ATOM 509 N MET A 36 4.740 12.424 6.414 1.00 0.00 N ATOM 510 CA MET A 36 5.190 13.691 6.978 1.00 0.00 C ATOM 511 C MET A 36 5.950 14.509 5.938 1.00 0.00 C ATOM 512 O MET A 36 5.968 15.739 5.995 1.00 0.00 O ATOM 513 CB MET A 36 6.078 13.444 8.199 1.00 0.00 C ATOM 514 CG MET A 36 5.461 12.502 9.219 1.00 0.00 C ATOM 515 SD MET A 36 6.024 12.832 10.900 1.00 0.00 S ATOM 516 CE MET A 36 4.558 12.405 11.837 1.00 0.00 C ATOM 0 H MET A 36 4.980 11.605 6.973 1.00 0.00 H new ATOM 0 HA MET A 36 4.310 14.256 7.287 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.031 13.033 7.867 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.293 14.398 8.681 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.375 12.591 9.180 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.706 11.474 8.953 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.748 12.557 12.899 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.728 13.038 11.523 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.304 11.360 11.659 1.00 0.00 H new ATOM 526 N ARG A 37 6.576 13.819 4.991 1.00 0.00 N ATOM 527 CA ARG A 37 7.339 14.482 3.941 1.00 0.00 C ATOM 528 C ARG A 37 6.408 15.111 2.908 1.00 0.00 C ATOM 529 O ARG A 37 6.752 16.111 2.276 1.00 0.00 O ATOM 530 CB ARG A 37 8.278 13.486 3.257 1.00 0.00 C ATOM 531 CG ARG A 37 9.643 13.385 3.916 1.00 0.00 C ATOM 532 CD ARG A 37 9.650 12.349 5.029 1.00 0.00 C ATOM 533 NE ARG A 37 10.783 12.523 5.933 1.00 0.00 N ATOM 534 CZ ARG A 37 12.042 12.277 5.589 1.00 0.00 C ATOM 535 NH1 ARG A 37 12.327 11.849 4.367 1.00 0.00 N ATOM 536 NH2 ARG A 37 13.020 12.460 6.468 1.00 0.00 N ATOM 0 H ARG A 37 6.570 12.801 4.929 1.00 0.00 H new ATOM 0 HA ARG A 37 7.932 15.273 4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.811 12.501 3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.408 13.779 2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.391 13.122 3.168 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.926 14.357 4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.721 12.419 5.595 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.684 11.350 4.594 1.00 0.00 H new ATOM 0 HE ARG A 37 10.598 12.851 6.881 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.579 11.708 3.689 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.295 11.661 4.105 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.805 12.790 7.409 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.986 12.271 6.202 1.00 0.00 H new ATOM 550 N ILE A 38 5.230 14.519 2.742 1.00 0.00 N ATOM 551 CA ILE A 38 4.251 15.022 1.787 1.00 0.00 C ATOM 552 C ILE A 38 3.572 16.284 2.309 1.00 0.00 C ATOM 553 O ILE A 38 2.889 16.273 3.333 1.00 0.00 O ATOM 554 CB ILE A 38 3.175 13.965 1.474 1.00 0.00 C ATOM 555 CG1 ILE A 38 3.806 12.575 1.383 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.453 14.311 0.181 1.00 0.00 C ATOM 557 CD1 ILE A 38 4.964 12.499 0.412 1.00 0.00 C ATOM 0 H ILE A 38 4.931 13.691 3.256 1.00 0.00 H new ATOM 0 HA ILE A 38 4.795 15.257 0.872 1.00 0.00 H new ATOM 0 HB ILE A 38 2.446 13.960 2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.152 12.277 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.043 11.857 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.696 13.555 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.975 15.285 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.170 14.341 -0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.362 11.484 0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.619 12.766 -0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.746 13.192 0.723 1.00 0.00 H new ATOM 569 N PRO A 39 3.761 17.399 1.587 1.00 0.00 N ATOM 570 CA PRO A 39 3.173 18.690 1.957 1.00 0.00 C ATOM 571 C PRO A 39 1.659 18.711 1.775 1.00 0.00 C ATOM 572 O PRO A 39 1.012 19.734 1.999 1.00 0.00 O ATOM 573 CB PRO A 39 3.841 19.673 0.993 1.00 0.00 C ATOM 574 CG PRO A 39 4.224 18.847 -0.186 1.00 0.00 C ATOM 575 CD PRO A 39 4.562 17.485 0.355 1.00 0.00 C ATOM 0 HA PRO A 39 3.336 18.926 3.009 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.159 20.475 0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.713 20.142 1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.406 18.790 -0.905 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.076 19.282 -0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.300 16.696 -0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.628 17.388 0.561 1.00 0.00 H new ATOM 583 N ARG A 40 1.101 17.575 1.368 1.00 0.00 N ATOM 584 CA ARG A 40 -0.337 17.464 1.155 1.00 0.00 C ATOM 585 C ARG A 40 -1.010 16.776 2.338 1.00 0.00 C ATOM 586 O ARG A 40 -0.703 15.627 2.658 1.00 0.00 O ATOM 587 CB ARG A 40 -0.625 16.688 -0.132 1.00 0.00 C ATOM 588 CG ARG A 40 0.122 17.220 -1.344 1.00 0.00 C ATOM 589 CD ARG A 40 -0.653 18.334 -2.031 1.00 0.00 C ATOM 590 NE ARG A 40 0.232 19.295 -2.684 1.00 0.00 N ATOM 591 CZ ARG A 40 0.985 20.167 -2.023 1.00 0.00 C ATOM 592 NH1 ARG A 40 0.961 20.198 -0.698 1.00 0.00 N ATOM 593 NH2 ARG A 40 1.765 21.009 -2.688 1.00 0.00 N ATOM 0 H ARG A 40 1.623 16.719 1.179 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.744 18.471 1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.359 15.642 0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.696 16.719 -0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.099 17.591 -1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.297 16.408 -2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.328 17.903 -2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.271 18.851 -1.297 1.00 0.00 H new ATOM 0 HE ARG A 40 0.274 19.297 -3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.363 19.551 -0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.540 20.869 -0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.787 20.987 -3.708 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.343 21.678 -2.180 1.00 0.00 H new ATOM 607 N ASP A 41 -1.929 17.485 2.984 1.00 0.00 N ATOM 608 CA ASP A 41 -2.646 16.943 4.132 1.00 0.00 C ATOM 609 C ASP A 41 -3.763 16.006 3.682 1.00 0.00 C ATOM 610 O ASP A 41 -4.895 16.101 4.154 1.00 0.00 O ATOM 611 CB ASP A 41 -3.226 18.076 4.981 1.00 0.00 C ATOM 612 CG ASP A 41 -2.364 19.323 4.947 1.00 0.00 C ATOM 613 OD1 ASP A 41 -2.496 20.108 3.985 1.00 0.00 O ATOM 614 OD2 ASP A 41 -1.558 19.514 5.882 1.00 0.00 O ATOM 0 H ASP A 41 -2.195 18.437 2.732 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.938 16.374 4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.226 18.319 4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.330 17.737 6.012 1.00 0.00 H new ATOM 619 N GLY A 42 -3.435 15.100 2.765 1.00 0.00 N ATOM 620 CA GLY A 42 -4.421 14.160 2.266 1.00 0.00 C ATOM 621 C GLY A 42 -3.795 13.030 1.473 1.00 0.00 C ATOM 622 O GLY A 42 -4.463 12.385 0.665 1.00 0.00 O ATOM 0 H GLY A 42 -2.504 15.001 2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.980 13.745 3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.137 14.689 1.636 1.00 0.00 H new ATOM 626 N ALA A 43 -2.509 12.789 1.704 1.00 0.00 N ATOM 627 CA ALA A 43 -1.792 11.729 1.005 1.00 0.00 C ATOM 628 C ALA A 43 -2.063 10.371 1.644 1.00 0.00 C ATOM 629 O ALA A 43 -2.326 10.279 2.844 1.00 0.00 O ATOM 630 CB ALA A 43 -0.299 12.020 0.993 1.00 0.00 C ATOM 0 H ALA A 43 -1.942 13.313 2.370 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.152 11.697 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.223 11.220 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.117 12.967 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.068 12.081 2.018 1.00 0.00 H new ATOM 636 N PHE A 44 -1.997 9.318 0.836 1.00 0.00 N ATOM 637 CA PHE A 44 -2.237 7.965 1.323 1.00 0.00 C ATOM 638 C PHE A 44 -1.311 6.967 0.632 1.00 0.00 C ATOM 639 O PHE A 44 -0.750 7.253 -0.426 1.00 0.00 O ATOM 640 CB PHE A 44 -3.696 7.568 1.092 1.00 0.00 C ATOM 641 CG PHE A 44 -3.956 7.009 -0.278 1.00 0.00 C ATOM 642 CD1 PHE A 44 -3.737 5.668 -0.546 1.00 0.00 C ATOM 643 CD2 PHE A 44 -4.419 7.826 -1.297 1.00 0.00 C ATOM 644 CE1 PHE A 44 -3.976 5.150 -1.806 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.660 7.314 -2.558 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.437 5.975 -2.813 1.00 0.00 C ATOM 0 H PHE A 44 -1.779 9.376 -0.159 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.029 7.948 2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.985 6.828 1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.330 8.441 1.246 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.375 5.019 0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.593 8.874 -1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.802 4.102 -2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.022 7.961 -3.343 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.623 5.574 -3.798 1.00 0.00 H new ATOM 656 N LEU A 45 -1.157 5.795 1.239 1.00 0.00 N ATOM 657 CA LEU A 45 -0.300 4.753 0.684 1.00 0.00 C ATOM 658 C LEU A 45 -0.736 3.374 1.167 1.00 0.00 C ATOM 659 O LEU A 45 -1.253 3.229 2.275 1.00 0.00 O ATOM 660 CB LEU A 45 1.158 5.005 1.072 1.00 0.00 C ATOM 661 CG LEU A 45 1.549 4.618 2.499 1.00 0.00 C ATOM 662 CD1 LEU A 45 1.984 3.162 2.557 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.655 5.527 3.014 1.00 0.00 C ATOM 0 H LEU A 45 -1.614 5.543 2.115 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.391 4.782 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.797 4.457 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.372 6.065 0.933 1.00 0.00 H new ATOM 0 HG LEU A 45 0.676 4.741 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.258 2.905 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.163 2.524 2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.843 3.012 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.920 5.237 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.530 5.436 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.308 6.560 3.010 1.00 0.00 H new ATOM 675 N ILE A 46 -0.522 2.364 0.330 1.00 0.00 N ATOM 676 CA ILE A 46 -0.890 0.997 0.674 1.00 0.00 C ATOM 677 C ILE A 46 0.320 0.071 0.615 1.00 0.00 C ATOM 678 O ILE A 46 0.893 -0.152 -0.451 1.00 0.00 O ATOM 679 CB ILE A 46 -1.984 0.455 -0.266 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.290 1.224 -0.061 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.196 -1.033 -0.028 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.367 0.864 -1.060 1.00 0.00 C ATOM 0 H ILE A 46 -0.096 2.467 -0.591 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.277 1.021 1.693 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.660 0.596 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.661 1.032 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.087 2.293 -0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.972 -1.402 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.266 -1.568 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.503 -1.196 1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.264 1.448 -0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.016 1.082 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.599 -0.198 -0.979 1.00 0.00 H new ATOM 694 N ARG A 47 0.702 -0.468 1.768 1.00 0.00 N ATOM 695 CA ARG A 47 1.844 -1.371 1.848 1.00 0.00 C ATOM 696 C ARG A 47 1.411 -2.753 2.330 1.00 0.00 C ATOM 697 O ARG A 47 0.526 -2.879 3.177 1.00 0.00 O ATOM 698 CB ARG A 47 2.907 -0.802 2.789 1.00 0.00 C ATOM 699 CG ARG A 47 2.387 -0.502 4.186 1.00 0.00 C ATOM 700 CD ARG A 47 3.497 -0.006 5.099 1.00 0.00 C ATOM 701 NE ARG A 47 3.114 -0.062 6.507 1.00 0.00 N ATOM 702 CZ ARG A 47 3.044 -1.189 7.206 1.00 0.00 C ATOM 703 NH1 ARG A 47 3.331 -2.349 6.630 1.00 0.00 N ATOM 704 NH2 ARG A 47 2.687 -1.158 8.484 1.00 0.00 N ATOM 0 H ARG A 47 0.238 -0.295 2.660 1.00 0.00 H new ATOM 0 HA ARG A 47 2.268 -1.469 0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.732 -1.511 2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.310 0.114 2.356 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.599 0.249 4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.940 -1.401 4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.392 -0.609 4.942 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.753 1.020 4.834 1.00 0.00 H new ATOM 0 HE ARG A 47 2.888 0.813 6.980 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.606 -2.377 5.648 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.277 -3.213 7.169 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.466 -0.268 8.930 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.634 -2.024 9.020 1.00 0.00 H new ATOM 718 N LYS A 48 2.040 -3.788 1.784 1.00 0.00 N ATOM 719 CA LYS A 48 1.722 -5.161 2.157 1.00 0.00 C ATOM 720 C LYS A 48 2.525 -5.593 3.380 1.00 0.00 C ATOM 721 O LYS A 48 3.724 -5.330 3.471 1.00 0.00 O ATOM 722 CB LYS A 48 2.006 -6.108 0.988 1.00 0.00 C ATOM 723 CG LYS A 48 1.873 -7.577 1.349 1.00 0.00 C ATOM 724 CD LYS A 48 3.189 -8.149 1.852 1.00 0.00 C ATOM 725 CE LYS A 48 4.077 -8.597 0.701 1.00 0.00 C ATOM 726 NZ LYS A 48 5.499 -8.737 1.120 1.00 0.00 N ATOM 0 H LYS A 48 2.774 -3.702 1.081 1.00 0.00 H new ATOM 0 HA LYS A 48 0.662 -5.207 2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.321 -5.880 0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.015 -5.923 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.107 -7.696 2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.541 -8.139 0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.711 -7.398 2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.991 -8.994 2.511 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.717 -9.550 0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.008 -7.876 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.072 -9.044 0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.851 -7.821 1.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.569 -9.444 1.880 1.00 0.00 H new ATOM 740 N ARG A 49 1.856 -6.256 4.317 1.00 0.00 N ATOM 741 CA ARG A 49 2.507 -6.724 5.535 1.00 0.00 C ATOM 742 C ARG A 49 3.195 -8.066 5.303 1.00 0.00 C ATOM 743 O ARG A 49 2.571 -9.022 4.844 1.00 0.00 O ATOM 744 CB ARG A 49 1.487 -6.850 6.668 1.00 0.00 C ATOM 745 CG ARG A 49 0.879 -5.523 7.092 1.00 0.00 C ATOM 746 CD ARG A 49 0.060 -5.667 8.365 1.00 0.00 C ATOM 747 NE ARG A 49 0.870 -6.134 9.487 1.00 0.00 N ATOM 748 CZ ARG A 49 0.360 -6.688 10.582 1.00 0.00 C ATOM 749 NH1 ARG A 49 -0.951 -6.843 10.700 1.00 0.00 N ATOM 750 NH2 ARG A 49 1.162 -7.088 11.560 1.00 0.00 N ATOM 0 H ARG A 49 0.863 -6.481 4.256 1.00 0.00 H new ATOM 0 HA ARG A 49 3.264 -5.992 5.817 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.688 -7.522 6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.970 -7.311 7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.672 -4.792 7.249 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.246 -5.140 6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.390 -4.707 8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.758 -6.366 8.193 1.00 0.00 H new ATOM 0 HE ARG A 49 1.883 -6.029 9.427 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.570 -6.537 9.950 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.341 -7.268 11.541 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.171 -6.970 11.472 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.769 -7.513 12.400 1.00 0.00 H new ATOM 812 N SER A 54 -2.299 -10.116 5.162 1.00 0.00 N ATOM 813 CA SER A 54 -3.061 -8.904 5.437 1.00 0.00 C ATOM 814 C SER A 54 -2.295 -7.666 4.982 1.00 0.00 C ATOM 815 O SER A 54 -1.114 -7.742 4.643 1.00 0.00 O ATOM 816 CB SER A 54 -3.376 -8.802 6.931 1.00 0.00 C ATOM 817 OG SER A 54 -2.243 -8.369 7.663 1.00 0.00 O ATOM 0 HA SER A 54 -3.996 -8.958 4.879 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.200 -8.106 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.704 -9.772 7.304 1.00 0.00 H new ATOM 0 HG SER A 54 -2.471 -8.311 8.614 1.00 0.00 H new ATOM 823 N TYR A 55 -2.976 -6.525 4.976 1.00 0.00 N ATOM 824 CA TYR A 55 -2.362 -5.270 4.561 1.00 0.00 C ATOM 825 C TYR A 55 -2.864 -4.109 5.414 1.00 0.00 C ATOM 826 O TYR A 55 -3.814 -4.254 6.182 1.00 0.00 O ATOM 827 CB TYR A 55 -2.658 -4.998 3.085 1.00 0.00 C ATOM 828 CG TYR A 55 -2.543 -6.224 2.208 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.430 -7.285 2.344 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.549 -6.321 1.242 1.00 0.00 C ATOM 831 CE1 TYR A 55 -3.328 -8.408 1.546 1.00 0.00 C ATOM 832 CE2 TYR A 55 -1.441 -7.439 0.438 1.00 0.00 C ATOM 833 CZ TYR A 55 -2.333 -8.480 0.594 1.00 0.00 C ATOM 834 OH TYR A 55 -2.229 -9.596 -0.204 1.00 0.00 O ATOM 0 H TYR A 55 -3.954 -6.444 5.254 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.284 -5.359 4.699 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.665 -4.590 2.994 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.971 -4.235 2.720 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.213 -7.231 3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.849 -5.508 1.118 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.024 -9.225 1.667 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.663 -7.498 -0.308 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.477 -9.487 -0.822 1.00 0.00 H new ATOM 844 N ALA A 56 -2.218 -2.957 5.272 1.00 0.00 N ATOM 845 CA ALA A 56 -2.599 -1.769 6.027 1.00 0.00 C ATOM 846 C ALA A 56 -2.347 -0.501 5.219 1.00 0.00 C ATOM 847 O ALA A 56 -1.299 -0.353 4.589 1.00 0.00 O ATOM 848 CB ALA A 56 -1.841 -1.716 7.346 1.00 0.00 C ATOM 0 H ALA A 56 -1.428 -2.821 4.641 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.667 -1.829 6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.135 -0.824 7.899 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.075 -2.602 7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.769 -1.684 7.149 1.00 0.00 H new ATOM 854 N ILE A 57 -3.314 0.411 5.241 1.00 0.00 N ATOM 855 CA ILE A 57 -3.196 1.666 4.511 1.00 0.00 C ATOM 856 C ILE A 57 -2.805 2.809 5.441 1.00 0.00 C ATOM 857 O ILE A 57 -3.236 2.862 6.594 1.00 0.00 O ATOM 858 CB ILE A 57 -4.511 2.028 3.796 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.385 3.387 3.105 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.667 2.036 4.786 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.517 3.684 2.146 1.00 0.00 C ATOM 0 H ILE A 57 -4.187 0.303 5.757 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.414 1.524 3.765 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.714 1.273 3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.347 4.169 3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.441 3.423 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.590 2.294 4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.768 1.048 5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.473 2.772 5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.362 4.663 1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.542 2.923 1.366 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.463 3.680 2.687 1.00 0.00 H new ATOM 873 N THR A 58 -1.987 3.726 4.933 1.00 0.00 N ATOM 874 CA THR A 58 -1.538 4.869 5.718 1.00 0.00 C ATOM 875 C THR A 58 -1.799 6.178 4.982 1.00 0.00 C ATOM 876 O THR A 58 -1.590 6.273 3.772 1.00 0.00 O ATOM 877 CB THR A 58 -0.037 4.769 6.048 1.00 0.00 C ATOM 878 OG1 THR A 58 0.253 3.493 6.629 1.00 0.00 O ATOM 879 CG2 THR A 58 0.381 5.875 7.006 1.00 0.00 C ATOM 0 H THR A 58 -1.622 3.699 3.981 1.00 0.00 H new ATOM 0 HA THR A 58 -2.108 4.858 6.647 1.00 0.00 H new ATOM 0 HB THR A 58 0.525 4.881 5.121 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.210 3.437 6.834 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.445 5.784 7.225 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.186 6.845 6.549 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.188 5.789 7.932 1.00 0.00 H new ATOM 887 N PHE A 59 -2.255 7.185 5.718 1.00 0.00 N ATOM 888 CA PHE A 59 -2.545 8.489 5.134 1.00 0.00 C ATOM 889 C PHE A 59 -2.250 9.608 6.129 1.00 0.00 C ATOM 890 O PHE A 59 -2.157 9.373 7.334 1.00 0.00 O ATOM 891 CB PHE A 59 -4.007 8.559 4.690 1.00 0.00 C ATOM 892 CG PHE A 59 -4.949 7.838 5.611 1.00 0.00 C ATOM 893 CD1 PHE A 59 -5.078 6.460 5.551 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.705 8.538 6.537 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.945 5.794 6.396 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.573 7.877 7.386 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.692 6.503 7.316 1.00 0.00 C ATOM 0 H PHE A 59 -2.432 7.123 6.721 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.902 8.621 4.264 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.308 9.604 4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.095 8.136 3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.494 5.900 4.836 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.615 9.613 6.596 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.038 4.720 6.337 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.157 8.434 8.103 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.368 5.984 7.979 1.00 0.00 H new ATOM 907 N ARG A 60 -2.104 10.825 5.616 1.00 0.00 N ATOM 908 CA ARG A 60 -1.818 11.981 6.457 1.00 0.00 C ATOM 909 C ARG A 60 -3.027 12.909 6.536 1.00 0.00 C ATOM 910 O ARG A 60 -3.292 13.679 5.613 1.00 0.00 O ATOM 911 CB ARG A 60 -0.609 12.746 5.917 1.00 0.00 C ATOM 912 CG ARG A 60 -0.355 14.065 6.628 1.00 0.00 C ATOM 913 CD ARG A 60 0.487 15.003 5.777 1.00 0.00 C ATOM 914 NE ARG A 60 1.246 15.948 6.592 1.00 0.00 N ATOM 915 CZ ARG A 60 0.686 16.914 7.311 1.00 0.00 C ATOM 916 NH1 ARG A 60 -0.632 17.062 7.316 1.00 0.00 N ATOM 917 NH2 ARG A 60 1.444 17.734 8.027 1.00 0.00 N ATOM 0 H ARG A 60 -2.179 11.036 4.621 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.592 11.621 7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.277 12.118 6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.757 12.938 4.854 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.306 14.542 6.864 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.151 13.878 7.575 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.174 14.419 5.165 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.161 15.552 5.094 1.00 0.00 H new ATOM 0 HE ARG A 60 2.262 15.861 6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.218 16.433 6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.060 17.805 7.869 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.458 17.623 8.026 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.013 18.476 8.579 1.00 0.00 H new ATOM 931 N ALA A 61 -3.757 12.829 7.644 1.00 0.00 N ATOM 932 CA ALA A 61 -4.936 13.662 7.844 1.00 0.00 C ATOM 933 C ALA A 61 -4.559 15.138 7.919 1.00 0.00 C ATOM 934 O ALA A 61 -3.398 15.502 7.730 1.00 0.00 O ATOM 935 CB ALA A 61 -5.674 13.239 9.105 1.00 0.00 C ATOM 0 H ALA A 61 -3.552 12.196 8.417 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.596 13.526 6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.552 13.870 9.242 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.985 12.199 9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.014 13.345 9.966 1.00 0.00 H new ATOM 941 N ARG A 62 -5.547 15.983 8.196 1.00 0.00 N ATOM 942 CA ARG A 62 -5.318 17.419 8.294 1.00 0.00 C ATOM 943 C ARG A 62 -4.644 17.773 9.617 1.00 0.00 C ATOM 944 O ARG A 62 -5.116 18.637 10.354 1.00 0.00 O ATOM 945 CB ARG A 62 -6.640 18.178 8.165 1.00 0.00 C ATOM 946 CG ARG A 62 -7.323 17.987 6.820 1.00 0.00 C ATOM 947 CD ARG A 62 -6.748 18.921 5.767 1.00 0.00 C ATOM 948 NE ARG A 62 -6.937 18.403 4.414 1.00 0.00 N ATOM 949 CZ ARG A 62 -6.698 19.111 3.316 1.00 0.00 C ATOM 950 NH1 ARG A 62 -6.262 20.360 3.410 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.894 18.570 2.121 1.00 0.00 N ATOM 0 H ARG A 62 -6.513 15.698 8.356 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.657 17.712 7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.315 17.851 8.956 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.456 19.241 8.322 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.206 16.953 6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.393 18.169 6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.223 19.898 5.851 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.684 19.067 5.954 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.271 17.445 4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.109 20.779 4.327 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.079 20.901 2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.229 17.609 2.045 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.710 19.115 1.278 1.00 0.00 H new ATOM 965 N GLY A 63 -3.536 17.098 9.910 1.00 0.00 N ATOM 966 CA GLY A 63 -2.816 17.355 11.143 1.00 0.00 C ATOM 967 C GLY A 63 -1.786 16.285 11.446 1.00 0.00 C ATOM 968 O GLY A 63 -0.600 16.579 11.599 1.00 0.00 O ATOM 0 H GLY A 63 -3.125 16.378 9.315 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.320 18.323 11.076 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.525 17.416 11.968 1.00 0.00 H new ATOM 972 N LYS A 64 -2.238 15.039 11.535 1.00 0.00 N ATOM 973 CA LYS A 64 -1.348 13.920 11.823 1.00 0.00 C ATOM 974 C LYS A 64 -1.549 12.792 10.815 1.00 0.00 C ATOM 975 O LYS A 64 -2.301 12.935 9.851 1.00 0.00 O ATOM 976 CB LYS A 64 -1.591 13.400 13.241 1.00 0.00 C ATOM 977 CG LYS A 64 -3.048 13.080 13.531 1.00 0.00 C ATOM 978 CD LYS A 64 -3.324 13.043 15.025 1.00 0.00 C ATOM 979 CE LYS A 64 -3.470 14.444 15.599 1.00 0.00 C ATOM 980 NZ LYS A 64 -3.423 14.441 17.087 1.00 0.00 N ATOM 0 H LYS A 64 -3.216 14.778 11.412 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.321 14.276 11.744 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.993 12.502 13.397 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.242 14.144 13.957 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.686 13.828 13.061 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.305 12.118 13.089 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.235 12.474 15.214 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.512 12.523 15.533 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.674 15.080 15.212 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.414 14.876 15.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.526 15.414 17.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.198 13.855 17.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.512 14.052 17.405 1.00 0.00 H new ATOM 994 N VAL A 65 -0.874 11.671 11.046 1.00 0.00 N ATOM 995 CA VAL A 65 -0.980 10.518 10.160 1.00 0.00 C ATOM 996 C VAL A 65 -1.785 9.398 10.810 1.00 0.00 C ATOM 997 O VAL A 65 -1.542 9.030 11.959 1.00 0.00 O ATOM 998 CB VAL A 65 0.409 9.978 9.772 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.277 8.725 8.921 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.211 11.046 9.043 1.00 0.00 C ATOM 0 H VAL A 65 -0.248 11.537 11.840 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.494 10.857 9.260 1.00 0.00 H new ATOM 0 HB VAL A 65 0.944 9.713 10.684 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.269 8.358 8.657 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.256 7.958 9.483 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.277 8.959 8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.190 10.647 8.776 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.682 11.344 8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.337 11.913 9.692 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.745 8.859 10.066 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.587 7.779 10.568 1.00 0.00 C ATOM 1012 C LYS A 66 -3.289 6.473 9.838 1.00 0.00 C ATOM 1013 O LYS A 66 -2.470 6.437 8.919 1.00 0.00 O ATOM 1014 CB LYS A 66 -5.065 8.140 10.407 1.00 0.00 C ATOM 1015 CG LYS A 66 -5.549 9.183 11.400 1.00 0.00 C ATOM 1016 CD LYS A 66 -6.110 8.539 12.656 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.018 8.275 13.682 1.00 0.00 C ATOM 1018 NZ LYS A 66 -4.420 6.921 13.521 1.00 0.00 N ATOM 0 H LYS A 66 -2.959 9.152 9.113 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.366 7.642 11.627 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.232 8.509 9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.665 7.237 10.520 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.724 9.844 11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.316 9.802 10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.870 9.188 13.091 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.602 7.601 12.397 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.238 9.030 13.584 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.432 8.372 14.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.730 6.309 14.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.729 6.511 12.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.383 6.996 13.531 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.959 5.403 10.252 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.767 4.095 9.635 1.00 0.00 C ATOM 1034 C HIS A 67 -5.041 3.261 9.723 1.00 0.00 C ATOM 1035 O HIS A 67 -5.995 3.637 10.405 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.611 3.355 10.309 1.00 0.00 C ATOM 1037 CG HIS A 67 -1.493 4.254 10.738 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -1.495 5.357 11.523 1.00 0.00 N flip ATOM 1039 CD2 HIS A 67 -0.183 4.062 10.353 1.00 0.00 C flip ATOM 1040 CE1 HIS A 67 -0.200 5.806 11.598 1.00 0.00 C flip ATOM 1041 NE2 HIS A 67 0.573 5.006 10.884 1.00 0.00 N flip ATOM 0 H HIS A 67 -4.639 5.415 11.012 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.526 4.248 8.583 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.991 2.821 11.180 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.220 2.606 9.621 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.308 5.776 11.975 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.170 3.264 9.716 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.133 6.672 12.151 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.050 2.128 9.028 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.208 1.242 9.026 1.00 0.00 C ATOM 1052 C CYS A 68 -5.794 -0.193 8.717 1.00 0.00 C ATOM 1053 O CYS A 68 -4.693 -0.439 8.223 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.240 1.719 8.003 1.00 0.00 C ATOM 1055 SG CYS A 68 -8.943 1.263 8.406 1.00 0.00 S ATOM 0 H CYS A 68 -4.269 1.802 8.459 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.655 1.266 10.020 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.176 2.804 7.917 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.986 1.306 7.027 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.742 1.712 7.484 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.681 -1.137 9.014 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.406 -2.548 8.770 1.00 0.00 C ATOM 1063 C ARG A 69 -7.198 -3.057 7.569 1.00 0.00 C ATOM 1064 O ARG A 69 -8.316 -2.608 7.315 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.750 -3.377 10.009 1.00 0.00 C ATOM 1066 CG ARG A 69 -6.165 -4.780 9.984 1.00 0.00 C ATOM 1067 CD ARG A 69 -4.748 -4.803 10.535 1.00 0.00 C ATOM 1068 NE ARG A 69 -4.694 -4.357 11.925 1.00 0.00 N ATOM 1069 CZ ARG A 69 -3.560 -4.147 12.586 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -2.394 -4.340 11.986 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -3.593 -3.742 13.849 1.00 0.00 N ATOM 0 H ARG A 69 -7.596 -0.950 9.424 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.343 -2.653 8.553 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.388 -2.857 10.896 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.834 -3.446 10.100 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.795 -5.449 10.570 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.165 -5.157 8.961 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.347 -5.814 10.463 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.111 -4.163 9.924 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.574 -4.198 12.415 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.365 -4.650 11.015 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.525 -4.178 12.495 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.489 -3.592 14.313 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.723 -3.581 14.356 1.00 0.00 H new ATOM 1085 N ILE A 70 -6.609 -3.994 6.834 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.260 -4.563 5.660 1.00 0.00 C ATOM 1087 C ILE A 70 -7.265 -6.087 5.719 1.00 0.00 C ATOM 1088 O ILE A 70 -6.262 -6.708 6.068 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.568 -4.114 4.359 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.553 -2.587 4.266 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.268 -4.717 3.151 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -5.435 -2.046 3.402 1.00 0.00 C ATOM 0 H ILE A 70 -5.683 -4.375 7.030 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.287 -4.198 5.661 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.538 -4.469 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.508 -2.246 3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.460 -2.171 5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.767 -4.390 2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.232 -5.805 3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.307 -4.389 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.485 -0.957 3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.475 -2.357 3.813 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.539 -2.433 2.388 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.402 -6.683 5.375 1.00 0.00 N ATOM 1105 CA ASN A 71 -8.537 -8.136 5.388 1.00 0.00 C ATOM 1106 C ASN A 71 -8.853 -8.665 3.992 1.00 0.00 C ATOM 1107 O ASN A 71 -8.901 -7.904 3.025 1.00 0.00 O ATOM 1108 CB ASN A 71 -9.636 -8.557 6.366 1.00 0.00 C ATOM 1109 CG ASN A 71 -9.446 -9.974 6.872 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -10.297 -10.839 6.662 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -8.326 -10.218 7.543 1.00 0.00 N ATOM 0 H ASN A 71 -9.242 -6.183 5.084 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.588 -8.562 5.712 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.648 -7.870 7.212 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.606 -8.476 5.876 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.143 -11.153 7.908 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.648 -9.471 7.693 1.00 0.00 H new ATOM 1118 N ARG A 72 -9.069 -9.973 3.896 1.00 0.00 N ATOM 1119 CA ARG A 72 -9.379 -10.604 2.619 1.00 0.00 C ATOM 1120 C ARG A 72 -10.437 -11.690 2.792 1.00 0.00 C ATOM 1121 O ARG A 72 -10.265 -12.617 3.583 1.00 0.00 O ATOM 1122 CB ARG A 72 -8.115 -11.203 2.001 1.00 0.00 C ATOM 1123 CG ARG A 72 -8.200 -11.384 0.494 1.00 0.00 C ATOM 1124 CD ARG A 72 -6.821 -11.376 -0.147 1.00 0.00 C ATOM 1125 NE ARG A 72 -6.048 -12.564 0.203 1.00 0.00 N ATOM 1126 CZ ARG A 72 -4.904 -12.895 -0.385 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -4.403 -12.132 -1.347 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -4.258 -13.992 -0.011 1.00 0.00 N ATOM 0 H ARG A 72 -9.035 -10.616 4.687 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.774 -9.839 1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.267 -10.559 2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.918 -12.170 2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.702 -12.324 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.807 -10.587 0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.925 -11.318 -1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.279 -10.485 0.170 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.406 -13.173 0.939 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.896 -11.288 -1.638 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.524 -12.389 -1.796 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.640 -14.582 0.728 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.379 -14.246 -0.463 1.00 0.00 H new ATOM 1142 N ASP A 73 -11.531 -11.567 2.049 1.00 0.00 N ATOM 1143 CA ASP A 73 -12.617 -12.537 2.120 1.00 0.00 C ATOM 1144 C ASP A 73 -12.755 -13.295 0.803 1.00 0.00 C ATOM 1145 O ASP A 73 -13.641 -13.008 -0.001 1.00 0.00 O ATOM 1146 CB ASP A 73 -13.934 -11.838 2.460 1.00 0.00 C ATOM 1147 CG ASP A 73 -14.894 -12.742 3.208 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -14.848 -13.970 2.983 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -15.691 -12.223 4.016 1.00 0.00 O ATOM 0 H ASP A 73 -11.689 -10.805 1.390 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.381 -13.252 2.908 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.727 -10.954 3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.407 -11.493 1.540 1.00 0.00 H new ATOM 1154 N GLY A 74 -11.871 -14.265 0.588 1.00 0.00 N ATOM 1155 CA GLY A 74 -11.911 -15.049 -0.633 1.00 0.00 C ATOM 1156 C GLY A 74 -11.111 -14.416 -1.753 1.00 0.00 C ATOM 1157 O GLY A 74 -9.890 -14.563 -1.813 1.00 0.00 O ATOM 0 H GLY A 74 -11.128 -14.522 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.523 -16.048 -0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.947 -15.167 -0.952 1.00 0.00 H new ATOM 1161 N ARG A 75 -11.799 -13.712 -2.646 1.00 0.00 N ATOM 1162 CA ARG A 75 -11.144 -13.057 -3.772 1.00 0.00 C ATOM 1163 C ARG A 75 -11.452 -11.563 -3.786 1.00 0.00 C ATOM 1164 O ARG A 75 -11.269 -10.890 -4.802 1.00 0.00 O ATOM 1165 CB ARG A 75 -11.592 -13.694 -5.090 1.00 0.00 C ATOM 1166 CG ARG A 75 -13.100 -13.711 -5.276 1.00 0.00 C ATOM 1167 CD ARG A 75 -13.479 -13.979 -6.724 1.00 0.00 C ATOM 1168 NE ARG A 75 -13.523 -15.408 -7.024 1.00 0.00 N ATOM 1169 CZ ARG A 75 -13.367 -15.908 -8.244 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -13.157 -15.100 -9.274 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -13.420 -17.220 -8.437 1.00 0.00 N ATOM 0 H ARG A 75 -12.810 -13.581 -2.612 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.068 -13.187 -3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.138 -13.151 -5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.217 -14.717 -5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.538 -14.477 -4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.518 -12.755 -4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.453 -13.535 -6.932 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.760 -13.492 -7.383 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.682 -16.057 -6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.115 -14.091 -9.130 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.038 -15.487 -10.210 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.581 -17.846 -7.648 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.300 -17.603 -9.375 1.00 0.00 H new ATOM 1185 N HIS A 76 -11.922 -11.050 -2.654 1.00 0.00 N ATOM 1186 CA HIS A 76 -12.255 -9.635 -2.536 1.00 0.00 C ATOM 1187 C HIS A 76 -11.530 -9.002 -1.352 1.00 0.00 C ATOM 1188 O HIS A 76 -11.287 -9.657 -0.338 1.00 0.00 O ATOM 1189 CB HIS A 76 -13.765 -9.456 -2.378 1.00 0.00 C ATOM 1190 CG HIS A 76 -14.568 -10.242 -3.369 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -15.404 -11.278 -3.008 1.00 0.00 N ATOM 1192 CD2 HIS A 76 -14.661 -10.137 -4.715 1.00 0.00 C ATOM 1193 CE1 HIS A 76 -15.974 -11.777 -4.090 1.00 0.00 C ATOM 1194 NE2 HIS A 76 -15.540 -11.102 -5.139 1.00 0.00 N ATOM 0 H HIS A 76 -12.081 -11.593 -1.805 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.930 -9.134 -3.448 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.054 -9.754 -1.370 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -14.010 -8.399 -2.481 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.140 -9.426 -5.339 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -16.676 -12.598 -4.113 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.814 -11.271 -6.107 1.00 0.00 H new ATOM 1203 N PHE A 77 -11.186 -7.726 -1.488 1.00 0.00 N ATOM 1204 CA PHE A 77 -10.486 -7.006 -0.430 1.00 0.00 C ATOM 1205 C PHE A 77 -11.472 -6.258 0.462 1.00 0.00 C ATOM 1206 O PHE A 77 -12.275 -5.456 -0.016 1.00 0.00 O ATOM 1207 CB PHE A 77 -9.479 -6.024 -1.032 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.153 -6.649 -1.357 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -7.308 -7.078 -0.346 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -7.751 -6.808 -2.673 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -6.087 -7.653 -0.642 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -6.531 -7.383 -2.975 1.00 0.00 C ATOM 1213 CZ PHE A 77 -5.698 -7.806 -1.958 1.00 0.00 C ATOM 0 H PHE A 77 -11.380 -7.169 -2.320 1.00 0.00 H new ATOM 0 HA PHE A 77 -9.952 -7.735 0.180 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -9.901 -5.594 -1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.323 -5.202 -0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -7.607 -6.962 0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.398 -6.479 -3.472 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.437 -7.983 0.155 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.229 -7.501 -4.005 1.00 0.00 H new ATOM 0 HZ PHE A 77 -4.744 -8.256 -2.192 1.00 0.00 H new ATOM 1223 N VAL A 78 -11.406 -6.527 1.763 1.00 0.00 N ATOM 1224 CA VAL A 78 -12.292 -5.879 2.723 1.00 0.00 C ATOM 1225 C VAL A 78 -11.578 -4.748 3.454 1.00 0.00 C ATOM 1226 O VAL A 78 -10.605 -4.977 4.175 1.00 0.00 O ATOM 1227 CB VAL A 78 -12.830 -6.886 3.758 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -13.701 -6.181 4.786 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -13.601 -8.000 3.066 1.00 0.00 C ATOM 0 H VAL A 78 -10.749 -7.189 2.176 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.128 -5.470 2.156 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.983 -7.332 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.072 -6.908 5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.112 -5.423 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.544 -5.706 4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.974 -8.702 3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.441 -7.574 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.942 -8.523 2.373 1.00 0.00 H new ATOM 1239 N LEU A 79 -12.066 -3.528 3.264 1.00 0.00 N ATOM 1240 CA LEU A 79 -11.475 -2.359 3.906 1.00 0.00 C ATOM 1241 C LEU A 79 -11.946 -2.235 5.352 1.00 0.00 C ATOM 1242 O LEU A 79 -11.164 -2.399 6.287 1.00 0.00 O ATOM 1243 CB LEU A 79 -11.833 -1.090 3.130 1.00 0.00 C ATOM 1244 CG LEU A 79 -11.017 0.158 3.470 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -11.225 0.551 4.924 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -9.541 -0.076 3.185 1.00 0.00 C ATOM 0 H LEU A 79 -12.870 -3.322 2.671 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.392 -2.484 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.719 -1.295 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.886 -0.869 3.301 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.362 0.978 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.637 1.441 5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -12.281 0.761 5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.907 -0.267 5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.976 0.822 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.181 -0.909 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.407 -0.309 2.129 1.00 0.00 H new ATOM 1258 N GLY A 80 -13.232 -1.945 5.527 1.00 0.00 N ATOM 1259 CA GLY A 80 -13.786 -1.806 6.861 1.00 0.00 C ATOM 1260 C GLY A 80 -15.046 -2.626 7.054 1.00 0.00 C ATOM 1261 O GLY A 80 -14.989 -3.770 7.507 1.00 0.00 O ATOM 0 H GLY A 80 -13.900 -1.804 4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.040 -2.113 7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.007 -0.756 7.052 1.00 0.00 H new ATOM 1265 N THR A 81 -16.190 -2.041 6.711 1.00 0.00 N ATOM 1266 CA THR A 81 -17.470 -2.724 6.851 1.00 0.00 C ATOM 1267 C THR A 81 -18.225 -2.753 5.528 1.00 0.00 C ATOM 1268 O THR A 81 -18.248 -1.766 4.793 1.00 0.00 O ATOM 1269 CB THR A 81 -18.352 -2.049 7.918 1.00 0.00 C ATOM 1270 OG1 THR A 81 -17.636 -1.948 9.154 1.00 0.00 O ATOM 1271 CG2 THR A 81 -19.637 -2.834 8.134 1.00 0.00 C ATOM 0 H THR A 81 -16.256 -1.095 6.334 1.00 0.00 H new ATOM 0 HA THR A 81 -17.251 -3.745 7.163 1.00 0.00 H new ATOM 0 HB THR A 81 -18.610 -1.050 7.565 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.203 -1.516 9.826 1.00 0.00 H new ATOM 0 HG21 THR A 81 -20.243 -2.338 8.892 1.00 0.00 H new ATOM 0 HG22 THR A 81 -20.194 -2.884 7.199 1.00 0.00 H new ATOM 0 HG23 THR A 81 -19.395 -3.843 8.467 1.00 0.00 H new ATOM 1279 N SER A 82 -18.844 -3.891 5.230 1.00 0.00 N ATOM 1280 CA SER A 82 -19.599 -4.049 3.992 1.00 0.00 C ATOM 1281 C SER A 82 -18.844 -3.441 2.814 1.00 0.00 C ATOM 1282 O SER A 82 -19.443 -2.845 1.920 1.00 0.00 O ATOM 1283 CB SER A 82 -20.976 -3.396 4.122 1.00 0.00 C ATOM 1284 OG SER A 82 -21.867 -4.225 4.847 1.00 0.00 O ATOM 0 H SER A 82 -18.838 -4.717 5.829 1.00 0.00 H new ATOM 0 HA SER A 82 -19.727 -5.116 3.807 1.00 0.00 H new ATOM 0 HB2 SER A 82 -20.880 -2.434 4.624 1.00 0.00 H new ATOM 0 HB3 SER A 82 -21.383 -3.199 3.130 1.00 0.00 H new ATOM 0 HG SER A 82 -22.740 -3.784 4.918 1.00 0.00 H new ATOM 1290 N ALA A 83 -17.524 -3.597 2.821 1.00 0.00 N ATOM 1291 CA ALA A 83 -16.686 -3.065 1.753 1.00 0.00 C ATOM 1292 C ALA A 83 -16.044 -4.190 0.947 1.00 0.00 C ATOM 1293 O ALA A 83 -15.113 -4.847 1.414 1.00 0.00 O ATOM 1294 CB ALA A 83 -15.617 -2.148 2.327 1.00 0.00 C ATOM 0 H ALA A 83 -17.012 -4.087 3.554 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.321 -2.488 1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.999 -1.758 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -16.092 -1.319 2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -14.993 -2.708 3.023 1.00 0.00 H new ATOM 1300 N TYR A 84 -16.548 -4.407 -0.262 1.00 0.00 N ATOM 1301 CA TYR A 84 -16.025 -5.455 -1.131 1.00 0.00 C ATOM 1302 C TYR A 84 -15.460 -4.863 -2.419 1.00 0.00 C ATOM 1303 O TYR A 84 -16.025 -3.928 -2.987 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.123 -6.468 -1.461 1.00 0.00 C ATOM 1305 CG TYR A 84 -17.204 -7.614 -0.478 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -17.315 -7.379 0.886 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -17.169 -8.933 -0.915 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -17.388 -8.423 1.788 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -17.244 -9.983 -0.021 1.00 0.00 C ATOM 1310 CZ TYR A 84 -17.352 -9.723 1.329 1.00 0.00 C ATOM 1311 OH TYR A 84 -17.427 -10.767 2.223 1.00 0.00 O ATOM 0 H TYR A 84 -17.318 -3.872 -0.663 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.219 -5.962 -0.601 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -18.084 -5.954 -1.487 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -16.948 -6.868 -2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -17.345 -6.362 1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -17.082 -9.140 -1.971 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -17.473 -8.222 2.846 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -17.218 -11.002 -0.377 1.00 0.00 H new ATOM 0 HH TYR A 84 -16.593 -10.820 2.735 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.341 -5.415 -2.875 1.00 0.00 N ATOM 1322 CA PHE A 85 -13.698 -4.944 -4.096 1.00 0.00 C ATOM 1323 C PHE A 85 -12.845 -6.044 -4.721 1.00 0.00 C ATOM 1324 O PHE A 85 -11.979 -6.621 -4.064 1.00 0.00 O ATOM 1325 CB PHE A 85 -12.831 -3.717 -3.800 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.606 -2.556 -3.245 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -14.244 -1.664 -4.092 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -13.697 -2.357 -1.877 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -14.956 -0.594 -3.584 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.408 -1.290 -1.363 1.00 0.00 C ATOM 1331 CZ PHE A 85 -15.040 -0.408 -2.218 1.00 0.00 C ATOM 0 H PHE A 85 -13.860 -6.189 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.479 -4.667 -4.805 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.051 -3.995 -3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.331 -3.405 -4.717 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -14.184 -1.807 -5.161 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.206 -3.045 -1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.446 0.096 -4.255 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.470 -1.146 -0.294 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.599 0.426 -1.819 1.00 0.00 H new ATOM 1341 N GLU A 86 -13.097 -6.328 -5.995 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.354 -7.359 -6.709 1.00 0.00 C ATOM 1343 C GLU A 86 -10.856 -7.231 -6.446 1.00 0.00 C ATOM 1344 O GLU A 86 -10.166 -8.227 -6.232 1.00 0.00 O ATOM 1345 CB GLU A 86 -12.628 -7.269 -8.212 1.00 0.00 C ATOM 1346 CG GLU A 86 -12.481 -8.596 -8.938 1.00 0.00 C ATOM 1347 CD GLU A 86 -12.722 -8.474 -10.430 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -12.151 -7.553 -11.050 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -13.482 -9.301 -10.977 1.00 0.00 O ATOM 0 H GLU A 86 -13.810 -5.859 -6.553 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.688 -8.330 -6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.638 -6.890 -8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.944 -6.545 -8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.480 -8.991 -8.767 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.184 -9.316 -8.518 1.00 0.00 H new ATOM 1356 N SER A 87 -10.362 -5.998 -6.463 1.00 0.00 N ATOM 1357 CA SER A 87 -8.946 -5.739 -6.231 1.00 0.00 C ATOM 1358 C SER A 87 -8.744 -4.381 -5.565 1.00 0.00 C ATOM 1359 O SER A 87 -9.517 -3.448 -5.783 1.00 0.00 O ATOM 1360 CB SER A 87 -8.172 -5.792 -7.550 1.00 0.00 C ATOM 1361 OG SER A 87 -7.825 -7.124 -7.884 1.00 0.00 O ATOM 0 H SER A 87 -10.921 -5.162 -6.635 1.00 0.00 H new ATOM 0 HA SER A 87 -8.566 -6.513 -5.564 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.776 -5.359 -8.347 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.269 -5.187 -7.470 1.00 0.00 H new ATOM 0 HG SER A 87 -8.444 -7.743 -7.444 1.00 0.00 H new ATOM 1367 N LEU A 88 -7.699 -4.279 -4.750 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.394 -3.035 -4.050 1.00 0.00 C ATOM 1369 C LEU A 88 -7.623 -1.830 -4.957 1.00 0.00 C ATOM 1370 O LEU A 88 -8.145 -0.803 -4.522 1.00 0.00 O ATOM 1371 CB LEU A 88 -5.947 -3.048 -3.556 1.00 0.00 C ATOM 1372 CG LEU A 88 -5.643 -3.991 -2.391 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -4.161 -4.327 -2.348 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -6.090 -3.374 -1.074 1.00 0.00 C ATOM 0 H LEU A 88 -7.049 -5.042 -4.558 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.064 -2.954 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.301 -3.316 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.677 -2.035 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.200 -4.916 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.964 -4.999 -1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.871 -4.812 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.584 -3.411 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.866 -4.059 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.562 -2.434 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.163 -3.186 -1.106 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.231 -1.962 -6.220 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.397 -0.886 -7.189 1.00 0.00 C ATOM 1388 C VAL A 89 -8.762 -0.222 -7.044 1.00 0.00 C ATOM 1389 O VAL A 89 -8.855 0.964 -6.727 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.239 -1.400 -8.632 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.504 -0.283 -9.629 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.853 -1.992 -8.838 1.00 0.00 C ATOM 0 H VAL A 89 -6.796 -2.804 -6.596 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.616 -0.153 -6.985 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.974 -2.187 -8.801 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.388 -0.665 -10.643 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.520 0.090 -9.496 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.795 0.528 -9.463 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.759 -2.350 -9.863 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.099 -1.227 -8.650 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.706 -2.823 -8.148 1.00 0.00 H new ATOM 1402 N GLU A 90 -9.818 -0.994 -7.279 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.178 -0.479 -7.175 1.00 0.00 C ATOM 1404 C GLU A 90 -11.383 0.252 -5.851 1.00 0.00 C ATOM 1405 O GLU A 90 -11.840 1.396 -5.825 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.190 -1.620 -7.302 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.547 -1.960 -8.739 1.00 0.00 C ATOM 1408 CD GLU A 90 -13.617 -1.048 -9.306 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -14.795 -1.204 -8.923 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -13.275 -0.177 -10.134 1.00 0.00 O ATOM 0 H GLU A 90 -9.758 -1.978 -7.542 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.335 0.229 -7.989 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -11.786 -2.509 -6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.099 -1.349 -6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.652 -1.892 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.891 -2.993 -8.789 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.043 -0.416 -4.754 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.190 0.170 -3.426 1.00 0.00 C ATOM 1419 C LEU A 91 -10.658 1.599 -3.399 1.00 0.00 C ATOM 1420 O LEU A 91 -11.255 2.483 -2.785 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.454 -0.680 -2.389 1.00 0.00 C ATOM 1422 CG LEU A 91 -10.857 -0.457 -0.931 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -10.658 -1.729 -0.121 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -10.062 0.691 -0.327 1.00 0.00 C ATOM 0 H LEU A 91 -10.664 -1.363 -4.758 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.252 0.193 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.611 -1.731 -2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.385 -0.488 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.915 -0.195 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.950 -1.551 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.272 -2.526 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.609 -2.023 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.362 0.835 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.998 0.458 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.255 1.604 -0.891 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.532 1.819 -4.070 1.00 0.00 N ATOM 1437 CA VAL A 92 -8.921 3.141 -4.126 1.00 0.00 C ATOM 1438 C VAL A 92 -9.683 4.059 -5.075 1.00 0.00 C ATOM 1439 O VAL A 92 -9.692 5.278 -4.903 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.450 3.061 -4.576 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -6.854 4.455 -4.705 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.641 2.214 -3.606 1.00 0.00 C ATOM 0 H VAL A 92 -9.024 1.098 -4.583 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.962 3.552 -3.117 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.414 2.584 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.814 4.378 -5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.419 5.025 -5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.901 4.962 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.604 2.169 -3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.683 2.659 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.055 1.206 -3.570 1.00 0.00 H new ATOM 1452 N SER A 93 -10.322 3.465 -6.078 1.00 0.00 N ATOM 1453 CA SER A 93 -11.085 4.229 -7.058 1.00 0.00 C ATOM 1454 C SER A 93 -12.419 4.683 -6.474 1.00 0.00 C ATOM 1455 O SER A 93 -13.052 5.606 -6.986 1.00 0.00 O ATOM 1456 CB SER A 93 -11.324 3.392 -8.316 1.00 0.00 C ATOM 1457 OG SER A 93 -12.306 3.987 -9.146 1.00 0.00 O ATOM 0 H SER A 93 -10.326 2.457 -6.233 1.00 0.00 H new ATOM 0 HA SER A 93 -10.505 5.113 -7.324 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.391 3.287 -8.869 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.642 2.388 -8.034 1.00 0.00 H new ATOM 0 HG SER A 93 -12.439 3.434 -9.944 1.00 0.00 H new ATOM 1463 N TYR A 94 -12.840 4.026 -5.399 1.00 0.00 N ATOM 1464 CA TYR A 94 -14.101 4.358 -4.745 1.00 0.00 C ATOM 1465 C TYR A 94 -13.888 5.396 -3.647 1.00 0.00 C ATOM 1466 O TYR A 94 -14.526 6.449 -3.640 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.741 3.101 -4.156 1.00 0.00 C ATOM 1468 CG TYR A 94 -16.124 3.333 -3.590 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -17.150 3.821 -4.390 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -16.404 3.065 -2.256 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -18.415 4.036 -3.877 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -17.666 3.275 -1.735 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.668 3.761 -2.549 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.927 3.973 -2.035 1.00 0.00 O ATOM 0 H TYR A 94 -12.327 3.261 -4.962 1.00 0.00 H new ATOM 0 HA TYR A 94 -14.770 4.780 -5.495 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.798 2.336 -4.930 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -14.096 2.710 -3.369 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -16.955 4.036 -5.430 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -15.622 2.686 -1.615 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.201 4.417 -4.512 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -17.867 3.060 -0.696 1.00 0.00 H new ATOM 0 HH TYR A 94 -19.938 3.729 -1.086 1.00 0.00 H new ATOM 1484 N TYR A 95 -12.986 5.091 -2.721 1.00 0.00 N ATOM 1485 CA TYR A 95 -12.688 5.995 -1.617 1.00 0.00 C ATOM 1486 C TYR A 95 -12.251 7.362 -2.134 1.00 0.00 C ATOM 1487 O TYR A 95 -12.434 8.378 -1.464 1.00 0.00 O ATOM 1488 CB TYR A 95 -11.597 5.402 -0.724 1.00 0.00 C ATOM 1489 CG TYR A 95 -12.127 4.476 0.346 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -12.583 3.203 0.028 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -12.170 4.873 1.677 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -13.069 2.353 1.003 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -12.653 4.029 2.659 1.00 0.00 C ATOM 1494 CZ TYR A 95 -13.102 2.771 2.317 1.00 0.00 C ATOM 1495 OH TYR A 95 -13.584 1.927 3.291 1.00 0.00 O ATOM 0 H TYR A 95 -12.448 4.224 -2.713 1.00 0.00 H new ATOM 0 HA TYR A 95 -13.598 6.123 -1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.887 4.856 -1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.046 6.214 -0.249 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -12.557 2.872 -1.000 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.820 5.858 1.949 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -13.421 1.367 0.738 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.679 4.353 3.689 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.538 2.373 4.162 1.00 0.00 H new ATOM 1505 N GLU A 96 -11.673 7.377 -3.331 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.210 8.619 -3.939 1.00 0.00 C ATOM 1507 C GLU A 96 -12.277 9.705 -3.839 1.00 0.00 C ATOM 1508 O GLU A 96 -11.970 10.873 -3.599 1.00 0.00 O ATOM 1509 CB GLU A 96 -10.838 8.387 -5.405 1.00 0.00 C ATOM 1510 CG GLU A 96 -9.384 7.996 -5.610 1.00 0.00 C ATOM 1511 CD GLU A 96 -8.472 9.198 -5.760 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -8.987 10.303 -6.030 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -7.243 9.034 -5.609 1.00 0.00 O ATOM 0 H GLU A 96 -11.514 6.544 -3.898 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.326 8.952 -3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.477 7.604 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.045 9.295 -5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.051 7.395 -4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.302 7.369 -6.498 1.00 0.00 H new ATOM 1520 N LYS A 97 -13.532 9.312 -4.026 1.00 0.00 N ATOM 1521 CA LYS A 97 -14.646 10.250 -3.957 1.00 0.00 C ATOM 1522 C LYS A 97 -15.297 10.221 -2.578 1.00 0.00 C ATOM 1523 O LYS A 97 -15.684 11.259 -2.041 1.00 0.00 O ATOM 1524 CB LYS A 97 -15.686 9.918 -5.030 1.00 0.00 C ATOM 1525 CG LYS A 97 -15.165 10.070 -6.449 1.00 0.00 C ATOM 1526 CD LYS A 97 -15.366 11.484 -6.969 1.00 0.00 C ATOM 1527 CE LYS A 97 -14.256 12.413 -6.501 1.00 0.00 C ATOM 1528 NZ LYS A 97 -14.098 13.586 -7.404 1.00 0.00 N ATOM 0 H LYS A 97 -13.803 8.349 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.256 11.252 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.030 8.894 -4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.552 10.567 -4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -14.105 9.818 -6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.677 9.365 -7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.396 11.471 -8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.329 11.865 -6.628 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.474 12.759 -5.491 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.317 11.862 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.332 14.195 -7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.865 13.257 -8.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -14.986 14.127 -7.430 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.414 9.025 -2.008 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.016 8.862 -0.690 1.00 0.00 C ATOM 1544 C HIS A 98 -14.974 9.047 0.410 1.00 0.00 C ATOM 1545 O HIS A 98 -13.965 8.345 0.446 1.00 0.00 O ATOM 1546 CB HIS A 98 -16.662 7.482 -0.569 1.00 0.00 C ATOM 1547 CG HIS A 98 -17.860 7.302 -1.450 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -17.984 6.723 -2.668 1.00 0.00 N flip ATOM 1549 CD2 HIS A 98 -19.120 7.747 -1.109 1.00 0.00 C flip ATOM 1550 CE1 HIS A 98 -19.303 6.827 -3.035 1.00 0.00 C flip ATOM 1551 NE2 HIS A 98 -19.967 7.448 -2.077 1.00 0.00 N flip ATOM 0 H HIS A 98 -15.100 8.155 -2.439 1.00 0.00 H new ATOM 0 HA HIS A 98 -16.784 9.626 -0.571 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -15.922 6.721 -0.816 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -16.956 7.317 0.468 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -17.237 6.290 -3.211 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -19.374 8.260 -0.193 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -19.729 6.460 -3.957 1.00 0.00 H new ATOM 1560 N ALA A 99 -15.227 9.998 1.303 1.00 0.00 N ATOM 1561 CA ALA A 99 -14.313 10.274 2.404 1.00 0.00 C ATOM 1562 C ALA A 99 -13.762 8.982 2.998 1.00 0.00 C ATOM 1563 O ALA A 99 -14.396 7.929 2.916 1.00 0.00 O ATOM 1564 CB ALA A 99 -15.012 11.095 3.478 1.00 0.00 C ATOM 0 H ALA A 99 -16.057 10.590 1.285 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.474 10.849 2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -14.317 11.294 4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.350 12.039 3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.870 10.541 3.859 1.00 0.00 H new ATOM 1570 N LEU A 100 -12.578 9.068 3.594 1.00 0.00 N ATOM 1571 CA LEU A 100 -11.941 7.905 4.202 1.00 0.00 C ATOM 1572 C LEU A 100 -11.916 8.029 5.722 1.00 0.00 C ATOM 1573 O LEU A 100 -12.456 7.181 6.433 1.00 0.00 O ATOM 1574 CB LEU A 100 -10.516 7.743 3.669 1.00 0.00 C ATOM 1575 CG LEU A 100 -9.587 6.855 4.497 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -9.969 5.391 4.343 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -8.137 7.075 4.090 1.00 0.00 C ATOM 0 H LEU A 100 -12.040 9.931 3.669 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.524 7.023 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.571 7.335 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.065 8.732 3.589 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.695 7.129 5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.296 4.775 4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.994 5.245 4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.891 5.103 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.490 6.435 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.014 6.829 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.868 8.118 4.253 1.00 0.00 H new ATOM 1589 N TYR A 101 -11.289 9.092 6.213 1.00 0.00 N ATOM 1590 CA TYR A 101 -11.194 9.327 7.649 1.00 0.00 C ATOM 1591 C TYR A 101 -12.175 10.409 8.090 1.00 0.00 C ATOM 1592 O TYR A 101 -13.159 10.129 8.776 1.00 0.00 O ATOM 1593 CB TYR A 101 -9.768 9.731 8.028 1.00 0.00 C ATOM 1594 CG TYR A 101 -9.644 10.267 9.436 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -9.828 11.618 9.705 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -9.343 9.423 10.498 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -9.716 12.112 10.991 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -9.229 9.908 11.786 1.00 0.00 C ATOM 1599 CZ TYR A 101 -9.417 11.253 12.028 1.00 0.00 C ATOM 1600 OH TYR A 101 -9.303 11.740 13.309 1.00 0.00 O ATOM 0 H TYR A 101 -10.839 9.804 5.638 1.00 0.00 H new ATOM 0 HA TYR A 101 -11.450 8.399 8.161 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -9.113 8.866 7.919 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -9.416 10.488 7.328 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -10.062 12.293 8.895 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -9.196 8.369 10.313 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -9.862 13.165 11.183 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.994 9.238 12.600 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.090 11.005 13.921 1.00 0.00 H new ATOM 1610 N ARG A 102 -11.900 11.647 7.690 1.00 0.00 N ATOM 1611 CA ARG A 102 -12.757 12.772 8.043 1.00 0.00 C ATOM 1612 C ARG A 102 -12.408 14.003 7.212 1.00 0.00 C ATOM 1613 O ARG A 102 -11.242 14.383 7.104 1.00 0.00 O ATOM 1614 CB ARG A 102 -12.623 13.095 9.533 1.00 0.00 C ATOM 1615 CG ARG A 102 -13.885 13.680 10.145 1.00 0.00 C ATOM 1616 CD ARG A 102 -13.562 14.621 11.295 1.00 0.00 C ATOM 1617 NE ARG A 102 -14.625 14.649 12.295 1.00 0.00 N ATOM 1618 CZ ARG A 102 -14.832 15.669 13.120 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -14.052 16.740 13.064 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -15.820 15.620 14.004 1.00 0.00 N ATOM 0 H ARG A 102 -11.090 11.896 7.121 1.00 0.00 H new ATOM 0 HA ARG A 102 -13.788 12.491 7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -12.357 12.185 10.071 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -11.802 13.799 9.671 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.446 14.217 9.380 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.525 12.873 10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.629 14.311 11.766 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.403 15.627 10.906 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.243 13.840 12.364 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.291 16.782 12.386 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.213 17.522 13.699 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.422 14.798 14.051 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.977 16.404 14.637 1.00 0.00 H new ATOM 1634 N LYS A 103 -13.427 14.622 6.625 1.00 0.00 N ATOM 1635 CA LYS A 103 -13.230 15.811 5.804 1.00 0.00 C ATOM 1636 C LYS A 103 -11.949 15.699 4.983 1.00 0.00 C ATOM 1637 O LYS A 103 -11.331 16.706 4.640 1.00 0.00 O ATOM 1638 CB LYS A 103 -13.177 17.061 6.684 1.00 0.00 C ATOM 1639 CG LYS A 103 -13.378 18.355 5.915 1.00 0.00 C ATOM 1640 CD LYS A 103 -14.817 18.511 5.452 1.00 0.00 C ATOM 1641 CE LYS A 103 -15.724 18.955 6.590 1.00 0.00 C ATOM 1642 NZ LYS A 103 -15.490 20.378 6.962 1.00 0.00 N ATOM 0 H LYS A 103 -14.398 14.320 6.703 1.00 0.00 H new ATOM 0 HA LYS A 103 -14.074 15.893 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.943 16.984 7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.214 17.096 7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.104 19.201 6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.713 18.373 5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.863 19.240 4.643 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.175 17.564 5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.766 18.823 6.297 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.554 18.320 7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.262 20.708 7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.585 20.460 7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.460 20.961 6.102 1.00 0.00 H new ATOM 1656 N MET A 104 -11.558 14.467 4.670 1.00 0.00 N ATOM 1657 CA MET A 104 -10.352 14.225 3.887 1.00 0.00 C ATOM 1658 C MET A 104 -10.426 12.877 3.177 1.00 0.00 C ATOM 1659 O MET A 104 -10.624 11.841 3.812 1.00 0.00 O ATOM 1660 CB MET A 104 -9.116 14.273 4.787 1.00 0.00 C ATOM 1661 CG MET A 104 -7.816 14.472 4.024 1.00 0.00 C ATOM 1662 SD MET A 104 -7.497 13.151 2.839 1.00 0.00 S ATOM 1663 CE MET A 104 -6.747 11.918 3.901 1.00 0.00 C ATOM 0 H MET A 104 -12.058 13.622 4.946 1.00 0.00 H new ATOM 0 HA MET A 104 -10.275 15.009 3.133 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.232 15.083 5.507 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.055 13.346 5.357 1.00 0.00 H new ATOM 0 HG2 MET A 104 -7.850 15.426 3.498 1.00 0.00 H new ATOM 0 HG3 MET A 104 -6.989 14.528 4.732 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.196 11.201 3.293 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.064 12.404 4.597 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.525 11.398 4.460 1.00 0.00 H new ATOM 1673 N ARG A 105 -10.267 12.898 1.858 1.00 0.00 N ATOM 1674 CA ARG A 105 -10.318 11.677 1.063 1.00 0.00 C ATOM 1675 C ARG A 105 -9.059 11.529 0.213 1.00 0.00 C ATOM 1676 O ARG A 105 -8.389 12.514 -0.100 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.556 11.681 0.163 1.00 0.00 C ATOM 1678 CG ARG A 105 -11.450 12.636 -1.014 1.00 0.00 C ATOM 1679 CD ARG A 105 -12.814 13.174 -1.419 1.00 0.00 C ATOM 1680 NE ARG A 105 -13.253 14.262 -0.550 1.00 0.00 N ATOM 1681 CZ ARG A 105 -14.342 14.989 -0.776 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -15.099 14.744 -1.836 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -14.676 15.963 0.061 1.00 0.00 N ATOM 0 H ARG A 105 -10.102 13.747 1.317 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.376 10.830 1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -11.725 10.672 -0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.428 11.949 0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.793 13.466 -0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.994 12.123 -1.861 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.773 13.527 -2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.546 12.367 -1.387 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.693 14.476 0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -14.846 13.995 -2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -15.934 15.304 -2.007 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.097 16.154 0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.512 16.521 -0.113 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.743 10.293 -0.155 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.564 10.015 -0.968 1.00 0.00 C ATOM 1699 C LEU A 106 -7.442 11.016 -2.112 1.00 0.00 C ATOM 1700 O LEU A 106 -8.017 10.823 -3.183 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.629 8.592 -1.526 1.00 0.00 C ATOM 1702 CG LEU A 106 -7.926 7.486 -0.512 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -7.887 6.122 -1.183 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -6.938 7.543 0.644 1.00 0.00 C ATOM 0 H LEU A 106 -9.286 9.467 0.096 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.684 10.110 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.395 8.562 -2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.678 8.369 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.929 7.643 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.101 5.348 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.634 6.085 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.898 5.954 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.164 6.749 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.925 7.411 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.016 8.510 1.142 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.689 12.086 -1.877 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.491 13.118 -2.888 1.00 0.00 C ATOM 1718 C ARG A 107 -5.189 12.889 -3.650 1.00 0.00 C ATOM 1719 O ARG A 107 -5.149 12.996 -4.876 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.478 14.503 -2.238 1.00 0.00 C ATOM 1721 CG ARG A 107 -6.047 15.614 -3.181 1.00 0.00 C ATOM 1722 CD ARG A 107 -7.188 16.049 -4.087 1.00 0.00 C ATOM 1723 NE ARG A 107 -6.707 16.537 -5.377 1.00 0.00 N ATOM 1724 CZ ARG A 107 -7.507 16.987 -6.337 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -8.820 17.010 -6.154 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -6.994 17.415 -7.484 1.00 0.00 N ATOM 0 H ARG A 107 -6.206 12.261 -0.996 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.320 13.064 -3.594 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.475 14.726 -1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.807 14.486 -1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.695 16.468 -2.602 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.209 15.273 -3.788 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.865 15.209 -4.246 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.763 16.833 -3.594 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.702 16.532 -5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.218 16.682 -5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.432 17.356 -6.893 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.984 17.398 -7.629 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.609 17.760 -8.221 1.00 0.00 H new ATOM 1740 N TYR A 108 -4.127 12.575 -2.916 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.823 12.335 -3.522 1.00 0.00 C ATOM 1742 C TYR A 108 -2.270 10.976 -3.103 1.00 0.00 C ATOM 1743 O TYR A 108 -1.790 10.790 -1.985 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.843 13.441 -3.128 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.317 14.829 -3.492 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -2.083 15.356 -4.756 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -3.002 15.614 -2.571 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -2.514 16.625 -5.092 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.438 16.883 -2.899 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.192 17.384 -4.161 1.00 0.00 C ATOM 1751 OH TYR A 108 -3.624 18.647 -4.492 1.00 0.00 O ATOM 0 H TYR A 108 -4.144 12.481 -1.900 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.947 12.338 -4.605 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.671 13.396 -2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.885 13.255 -3.613 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.555 14.764 -5.489 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.196 15.225 -1.582 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.321 17.021 -6.078 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.968 17.480 -2.172 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.085 19.047 -3.725 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.338 10.002 -4.023 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.849 8.643 -3.774 1.00 0.00 C ATOM 1763 C PRO A 109 -0.328 8.583 -3.681 1.00 0.00 C ATOM 1764 O PRO A 109 0.360 8.409 -4.687 1.00 0.00 O ATOM 1765 CB PRO A 109 -2.341 7.860 -4.994 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.485 8.882 -6.068 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.898 10.153 -5.377 1.00 0.00 C ATOM 0 HA PRO A 109 -2.208 8.248 -2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.631 7.084 -5.279 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -3.290 7.364 -4.790 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.547 9.017 -6.606 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.232 8.576 -6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.498 11.033 -5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.982 10.264 -5.354 1.00 0.00 H new ATOM 1775 N VAL A 110 0.192 8.727 -2.466 1.00 0.00 N ATOM 1776 CA VAL A 110 1.632 8.688 -2.241 1.00 0.00 C ATOM 1777 C VAL A 110 2.311 7.711 -3.195 1.00 0.00 C ATOM 1778 O VAL A 110 1.828 6.599 -3.410 1.00 0.00 O ATOM 1779 CB VAL A 110 1.963 8.286 -0.791 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.465 8.125 -0.611 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.408 9.312 0.185 1.00 0.00 C ATOM 0 H VAL A 110 -0.363 8.872 -1.622 1.00 0.00 H new ATOM 0 HA VAL A 110 2.009 9.694 -2.426 1.00 0.00 H new ATOM 0 HB VAL A 110 1.491 7.326 -0.581 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.680 7.841 0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.831 7.350 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 110 3.962 9.068 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.651 9.013 1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.849 10.287 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.326 9.373 0.073 1.00 0.00 H new ATOM 1791 N THR A 111 3.435 8.133 -3.765 1.00 0.00 N ATOM 1792 CA THR A 111 4.181 7.297 -4.696 1.00 0.00 C ATOM 1793 C THR A 111 5.679 7.370 -4.423 1.00 0.00 C ATOM 1794 O THR A 111 6.182 8.330 -3.839 1.00 0.00 O ATOM 1795 CB THR A 111 3.916 7.709 -6.157 1.00 0.00 C ATOM 1796 OG1 THR A 111 3.837 9.135 -6.257 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.626 7.087 -6.669 1.00 0.00 C ATOM 0 H THR A 111 3.849 9.050 -3.598 1.00 0.00 H new ATOM 0 HA THR A 111 3.837 6.273 -4.546 1.00 0.00 H new ATOM 0 HB THR A 111 4.742 7.348 -6.769 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.670 9.389 -7.189 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.460 7.392 -7.702 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.701 6.001 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.791 7.422 -6.053 1.00 0.00 H new ATOM 1805 N PRO A 112 6.412 6.333 -4.856 1.00 0.00 N ATOM 1806 CA PRO A 112 7.864 6.258 -4.670 1.00 0.00 C ATOM 1807 C PRO A 112 8.612 7.271 -5.530 1.00 0.00 C ATOM 1808 O PRO A 112 9.827 7.423 -5.409 1.00 0.00 O ATOM 1809 CB PRO A 112 8.204 4.831 -5.108 1.00 0.00 C ATOM 1810 CG PRO A 112 7.115 4.455 -6.053 1.00 0.00 C ATOM 1811 CD PRO A 112 5.879 5.155 -5.560 1.00 0.00 C ATOM 0 HA PRO A 112 8.156 6.485 -3.645 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.180 4.787 -5.591 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.240 4.153 -4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.358 4.762 -7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 112 6.970 3.375 -6.072 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.224 5.441 -6.383 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.295 4.519 -4.894 1.00 0.00 H new ATOM 1819 N GLU A 113 7.877 7.962 -6.396 1.00 0.00 N ATOM 1820 CA GLU A 113 8.473 8.960 -7.276 1.00 0.00 C ATOM 1821 C GLU A 113 8.353 10.357 -6.673 1.00 0.00 C ATOM 1822 O GLU A 113 9.185 11.229 -6.928 1.00 0.00 O ATOM 1823 CB GLU A 113 7.801 8.927 -8.651 1.00 0.00 C ATOM 1824 CG GLU A 113 8.016 10.193 -9.464 1.00 0.00 C ATOM 1825 CD GLU A 113 9.440 10.327 -9.968 1.00 0.00 C ATOM 1826 OE1 GLU A 113 9.913 9.405 -10.665 1.00 0.00 O ATOM 1827 OE2 GLU A 113 10.081 11.356 -9.667 1.00 0.00 O ATOM 0 H GLU A 113 6.869 7.849 -6.507 1.00 0.00 H new ATOM 0 HA GLU A 113 9.530 8.721 -7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.184 8.075 -9.213 1.00 0.00 H new ATOM 0 HB3 GLU A 113 6.731 8.767 -8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 113 7.332 10.196 -10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 113 7.768 11.060 -8.852 1.00 0.00 H new ATOM 1834 N LEU A 114 7.313 10.562 -5.873 1.00 0.00 N ATOM 1835 CA LEU A 114 7.083 11.853 -5.233 1.00 0.00 C ATOM 1836 C LEU A 114 8.161 12.146 -4.194 1.00 0.00 C ATOM 1837 O LEU A 114 8.752 13.227 -4.184 1.00 0.00 O ATOM 1838 CB LEU A 114 5.703 11.879 -4.574 1.00 0.00 C ATOM 1839 CG LEU A 114 5.223 13.242 -4.075 1.00 0.00 C ATOM 1840 CD1 LEU A 114 4.455 13.971 -5.167 1.00 0.00 C ATOM 1841 CD2 LEU A 114 4.361 13.081 -2.831 1.00 0.00 C ATOM 0 H LEU A 114 6.616 9.851 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 114 7.126 12.625 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 114 4.974 11.499 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.712 11.188 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 114 6.096 13.839 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.121 14.939 -4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.103 14.119 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.589 13.378 -5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.028 14.061 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.493 12.465 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.943 12.601 -2.044 1.00 0.00 H new ATOM 1853 N LEU A 115 8.414 11.176 -3.322 1.00 0.00 N ATOM 1854 CA LEU A 115 9.423 11.328 -2.280 1.00 0.00 C ATOM 1855 C LEU A 115 10.692 11.964 -2.839 1.00 0.00 C ATOM 1856 O LEU A 115 11.243 12.892 -2.249 1.00 0.00 O ATOM 1857 CB LEU A 115 9.750 9.970 -1.658 1.00 0.00 C ATOM 1858 CG LEU A 115 8.908 9.565 -0.448 1.00 0.00 C ATOM 1859 CD1 LEU A 115 9.266 10.415 0.761 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.425 9.685 -0.766 1.00 0.00 C ATOM 0 H LEU A 115 7.934 10.276 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 115 9.019 11.985 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.638 9.205 -2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.799 9.972 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 115 9.125 8.524 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.656 10.112 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.320 10.278 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.079 11.465 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.841 9.393 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.192 10.717 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.178 9.032 -1.603 1.00 0.00 H new ATOM 1872 N GLU A 116 11.147 11.458 -3.981 1.00 0.00 N ATOM 1873 CA GLU A 116 12.350 11.978 -4.619 1.00 0.00 C ATOM 1874 C GLU A 116 12.061 13.296 -5.332 1.00 0.00 C ATOM 1875 O GLU A 116 12.816 14.261 -5.205 1.00 0.00 O ATOM 1876 CB GLU A 116 12.907 10.959 -5.615 1.00 0.00 C ATOM 1877 CG GLU A 116 11.910 10.544 -6.684 1.00 0.00 C ATOM 1878 CD GLU A 116 12.470 9.502 -7.632 1.00 0.00 C ATOM 1879 OE1 GLU A 116 13.414 9.828 -8.381 1.00 0.00 O ATOM 1880 OE2 GLU A 116 11.964 8.360 -7.625 1.00 0.00 O ATOM 0 H GLU A 116 10.701 10.690 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 116 13.093 12.160 -3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.789 11.380 -6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.233 10.073 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 116 11.013 10.150 -6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 116 11.607 11.423 -7.254 1.00 0.00 H new ATOM 1887 N ARG A 117 10.965 13.329 -6.082 1.00 0.00 N ATOM 1888 CA ARG A 117 10.577 14.527 -6.816 1.00 0.00 C ATOM 1889 C ARG A 117 10.372 15.704 -5.867 1.00 0.00 C ATOM 1890 O ARG A 117 10.437 16.864 -6.277 1.00 0.00 O ATOM 1891 CB ARG A 117 9.295 14.271 -7.611 1.00 0.00 C ATOM 1892 CG ARG A 117 8.665 15.534 -8.174 1.00 0.00 C ATOM 1893 CD ARG A 117 7.709 15.220 -9.315 1.00 0.00 C ATOM 1894 NE ARG A 117 7.394 16.405 -10.108 1.00 0.00 N ATOM 1895 CZ ARG A 117 6.605 16.386 -11.176 1.00 0.00 C ATOM 1896 NH1 ARG A 117 6.055 15.248 -11.578 1.00 0.00 N ATOM 1897 NH2 ARG A 117 6.366 17.506 -11.846 1.00 0.00 N ATOM 0 H ARG A 117 10.330 12.539 -6.197 1.00 0.00 H new ATOM 0 HA ARG A 117 11.382 14.775 -7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.517 13.589 -8.432 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.572 13.771 -6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.129 16.058 -7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.447 16.205 -8.528 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.151 14.460 -9.959 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.788 14.799 -8.911 1.00 0.00 H new ATOM 0 HE ARG A 117 7.802 17.296 -9.826 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.238 14.385 -11.066 1.00 0.00 H new ATOM 0 HH12 ARG A 117 5.449 15.236 -12.399 1.00 0.00 H new ATOM 0 HH21 ARG A 117 6.788 18.383 -11.541 1.00 0.00 H new ATOM 0 HH22 ARG A 117 5.760 17.490 -12.666 1.00 0.00 H new ATOM 1911 N TYR A 118 10.125 15.398 -4.598 1.00 0.00 N ATOM 1912 CA TYR A 118 9.907 16.430 -3.592 1.00 0.00 C ATOM 1913 C TYR A 118 11.165 16.650 -2.757 1.00 0.00 C ATOM 1914 O TYR A 118 11.550 17.787 -2.481 1.00 0.00 O ATOM 1915 CB TYR A 118 8.739 16.047 -2.682 1.00 0.00 C ATOM 1916 CG TYR A 118 7.384 16.392 -3.259 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.177 16.410 -4.632 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.312 16.700 -2.430 1.00 0.00 C ATOM 1919 CE1 TYR A 118 5.941 16.725 -5.164 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.073 17.015 -2.953 1.00 0.00 C ATOM 1921 CZ TYR A 118 4.893 17.026 -4.320 1.00 0.00 C ATOM 1922 OH TYR A 118 3.660 17.340 -4.845 1.00 0.00 O ATOM 0 H TYR A 118 10.071 14.444 -4.242 1.00 0.00 H new ATOM 0 HA TYR A 118 9.667 17.360 -4.108 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.779 14.976 -2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 118 8.856 16.552 -1.723 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.996 16.174 -5.295 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.450 16.693 -1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.797 16.735 -6.234 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.250 17.251 -2.295 1.00 0.00 H new ATOM 0 HH TYR A 118 3.032 17.525 -4.116 1.00 0.00 H new ATOM 1932 N SER A 119 11.803 15.554 -2.359 1.00 0.00 N ATOM 1933 CA SER A 119 13.016 15.625 -1.553 1.00 0.00 C ATOM 1934 C SER A 119 14.102 16.418 -2.274 1.00 0.00 C ATOM 1935 O SER A 119 14.592 17.425 -1.766 1.00 0.00 O ATOM 1936 CB SER A 119 13.524 14.218 -1.232 1.00 0.00 C ATOM 1937 OG SER A 119 14.666 14.267 -0.395 1.00 0.00 O ATOM 0 H SER A 119 11.500 14.606 -2.582 1.00 0.00 H new ATOM 0 HA SER A 119 12.774 16.137 -0.622 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.735 13.646 -0.743 1.00 0.00 H new ATOM 0 HB3 SER A 119 13.769 13.697 -2.157 1.00 0.00 H new ATOM 0 HG SER A 119 14.970 13.355 -0.203 1.00 0.00 H new