USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 696 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 55 SER OG : rot -140:sc= -0.0482 USER MOD Set 1.2: A 99 HIS : no HD1:sc= -1.93 K(o=-2,f=-3.8!) USER MOD Set 2.1: A 58 TYR OH : rot 120:sc= 0.236 USER MOD Set 2.2: A 69 HIS : no HD1:sc= 0.184 X(o=0.42,f=-0.017) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.7!) USER MOD Single : A 24 LYS NZ :NH3+ 150:sc=-0.00171 (180deg=-0.348) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 143:sc= -5.38! USER MOD Single : A 29 SER OG : rot 4:sc= 0.957! USER MOD Single : A 30 MET CE :methyl -109:sc= -1 (180deg=-3.74!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -42:sc= 0.00107 USER MOD Single : A 48 ASN : amide:sc= -1.94! C(o=-1.9!,f=-9!) USER MOD Single : A 52 THR OG1 : rot -44:sc= 0.00914 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.23) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -170:sc= 0 USER MOD Single : A 92 TYR OH : rot 30:sc= 0.985 USER MOD Single : A 100 THR OG1 : rot 18:sc= 0.29 USER MOD Single : A 108 SER OG : rot -98:sc= -0.286 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -172:sc= -0.118 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 6.962 -12.450 -5.431 1.00 0.00 N ATOM 215 CA PRO A 18 5.759 -12.704 -4.633 1.00 0.00 C ATOM 216 C PRO A 18 4.479 -12.379 -5.394 1.00 0.00 C ATOM 217 O PRO A 18 4.483 -11.558 -6.311 1.00 0.00 O ATOM 218 CB PRO A 18 5.923 -11.764 -3.436 1.00 0.00 C ATOM 219 CG PRO A 18 6.797 -10.665 -3.934 1.00 0.00 C ATOM 220 CD PRO A 18 7.729 -11.297 -4.931 1.00 0.00 C ATOM 0 HA PRO A 18 5.667 -13.755 -4.358 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.960 -11.382 -3.098 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.377 -12.278 -2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.206 -9.876 -4.398 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.353 -10.207 -3.116 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.986 -10.607 -5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.664 -11.608 -4.466 1.00 0.00 H new ATOM 228 N SER A 19 3.385 -13.027 -5.008 1.00 0.00 N ATOM 229 CA SER A 19 2.098 -12.809 -5.657 1.00 0.00 C ATOM 230 C SER A 19 1.135 -12.082 -4.724 1.00 0.00 C ATOM 231 O SER A 19 0.650 -10.995 -5.038 1.00 0.00 O ATOM 232 CB SER A 19 1.491 -14.143 -6.096 1.00 0.00 C ATOM 233 OG SER A 19 0.084 -14.043 -6.234 1.00 0.00 O ATOM 0 H SER A 19 3.364 -13.708 -4.249 1.00 0.00 H new ATOM 0 HA SER A 19 2.264 -12.187 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.931 -14.452 -7.044 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.734 -14.915 -5.365 1.00 0.00 H new ATOM 0 HG SER A 19 -0.279 -14.908 -6.517 1.00 0.00 H new ATOM 239 N ALA A 20 0.863 -12.690 -3.574 1.00 0.00 N ATOM 240 CA ALA A 20 -0.040 -12.101 -2.593 1.00 0.00 C ATOM 241 C ALA A 20 0.610 -10.913 -1.892 1.00 0.00 C ATOM 242 O ALA A 20 0.139 -9.779 -1.973 1.00 0.00 O ATOM 243 CB ALA A 20 -0.469 -13.147 -1.575 1.00 0.00 C ATOM 0 H ALA A 20 1.255 -13.590 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.923 -11.740 -3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.143 -12.693 -0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.981 -13.963 -2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.410 -13.536 -1.061 1.00 0.00 H new ATOM 249 N PRO A 21 1.720 -11.177 -1.185 1.00 0.00 N ATOM 250 CA PRO A 21 2.459 -10.142 -0.456 1.00 0.00 C ATOM 251 C PRO A 21 3.168 -9.168 -1.391 1.00 0.00 C ATOM 252 O PRO A 21 3.717 -9.551 -2.424 1.00 0.00 O ATOM 253 CB PRO A 21 3.479 -10.942 0.357 1.00 0.00 C ATOM 254 CG PRO A 21 3.667 -12.206 -0.408 1.00 0.00 C ATOM 255 CD PRO A 21 2.339 -12.506 -1.045 1.00 0.00 C ATOM 0 HA PRO A 21 1.800 -9.522 0.152 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.418 -10.398 0.459 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.114 -11.140 1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.445 -12.093 -1.163 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.976 -13.018 0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.458 -12.997 -2.011 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.735 -13.167 -0.423 1.00 0.00 H new ATOM 263 N PRO A 22 3.157 -7.879 -1.022 1.00 0.00 N ATOM 264 CA PRO A 22 2.505 -7.412 0.206 1.00 0.00 C ATOM 265 C PRO A 22 0.985 -7.503 0.126 1.00 0.00 C ATOM 266 O PRO A 22 0.384 -7.127 -0.880 1.00 0.00 O ATOM 267 CB PRO A 22 2.949 -5.950 0.308 1.00 0.00 C ATOM 268 CG PRO A 22 3.249 -5.546 -1.094 1.00 0.00 C ATOM 269 CD PRO A 22 3.779 -6.777 -1.775 1.00 0.00 C ATOM 0 HA PRO A 22 2.780 -8.017 1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.165 -5.328 0.740 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.827 -5.846 0.946 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.353 -5.178 -1.594 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.982 -4.740 -1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.502 -6.804 -2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.867 -6.824 -1.730 1.00 0.00 H new ATOM 277 N GLN A 23 0.371 -8.005 1.192 1.00 0.00 N ATOM 278 CA GLN A 23 -1.080 -8.145 1.241 1.00 0.00 C ATOM 279 C GLN A 23 -1.664 -7.350 2.404 1.00 0.00 C ATOM 280 O GLN A 23 -0.944 -6.653 3.118 1.00 0.00 O ATOM 281 CB GLN A 23 -1.467 -9.620 1.370 1.00 0.00 C ATOM 282 CG GLN A 23 -0.435 -10.457 2.109 1.00 0.00 C ATOM 283 CD GLN A 23 -1.002 -11.769 2.613 1.00 0.00 C ATOM 284 OE1 GLN A 23 -2.208 -11.899 2.821 1.00 0.00 O ATOM 285 NE2 GLN A 23 -0.132 -12.753 2.811 1.00 0.00 N ATOM 0 H GLN A 23 0.855 -8.321 2.033 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.490 -7.749 0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.422 -9.692 1.891 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.615 -10.037 0.374 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.406 -10.660 1.445 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.045 -9.886 2.952 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.860 -12.602 2.626 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.456 -13.660 3.148 1.00 0.00 H new ATOM 294 N LYS A 24 -2.976 -7.460 2.590 1.00 0.00 N ATOM 295 CA LYS A 24 -3.658 -6.753 3.667 1.00 0.00 C ATOM 296 C LYS A 24 -3.154 -5.318 3.781 1.00 0.00 C ATOM 297 O LYS A 24 -3.005 -4.788 4.882 1.00 0.00 O ATOM 298 CB LYS A 24 -3.453 -7.484 4.995 1.00 0.00 C ATOM 299 CG LYS A 24 -3.304 -8.988 4.845 1.00 0.00 C ATOM 300 CD LYS A 24 -3.430 -9.698 6.183 1.00 0.00 C ATOM 301 CE LYS A 24 -2.907 -11.124 6.109 1.00 0.00 C ATOM 302 NZ LYS A 24 -2.358 -11.581 7.416 1.00 0.00 N ATOM 0 H LYS A 24 -3.588 -8.032 2.008 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.723 -6.728 3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.564 -7.086 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.299 -7.275 5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.064 -9.363 4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.335 -9.216 4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.877 -9.146 6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.475 -9.708 6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.712 -11.791 5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.131 -11.187 5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.483 -12.610 7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.345 -11.350 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.862 -11.103 8.190 1.00 0.00 H new ATOM 316 N VAL A 25 -2.895 -4.694 2.636 1.00 0.00 N ATOM 317 CA VAL A 25 -2.411 -3.319 2.608 1.00 0.00 C ATOM 318 C VAL A 25 -3.433 -2.363 3.211 1.00 0.00 C ATOM 319 O VAL A 25 -4.463 -2.075 2.602 1.00 0.00 O ATOM 320 CB VAL A 25 -2.087 -2.867 1.171 1.00 0.00 C ATOM 321 CG1 VAL A 25 -1.714 -1.393 1.146 1.00 0.00 C ATOM 322 CG2 VAL A 25 -0.972 -3.718 0.584 1.00 0.00 C ATOM 0 H VAL A 25 -3.012 -5.119 1.716 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.499 -3.293 3.204 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.977 -3.002 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.489 -1.092 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.547 -0.800 1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.838 -1.229 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.756 -3.385 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.076 -3.617 1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.283 -4.762 0.565 1.00 0.00 H new ATOM 332 N MET A 26 -3.142 -1.875 4.412 1.00 0.00 N ATOM 333 CA MET A 26 -4.036 -0.949 5.098 1.00 0.00 C ATOM 334 C MET A 26 -3.402 0.433 5.216 1.00 0.00 C ATOM 335 O MET A 26 -2.409 0.613 5.922 1.00 0.00 O ATOM 336 CB MET A 26 -4.387 -1.482 6.489 1.00 0.00 C ATOM 337 CG MET A 26 -5.152 -2.795 6.461 1.00 0.00 C ATOM 338 SD MET A 26 -6.017 -3.128 8.008 1.00 0.00 S ATOM 339 CE MET A 26 -6.168 -4.911 7.935 1.00 0.00 C ATOM 0 H MET A 26 -2.294 -2.105 4.931 1.00 0.00 H new ATOM 0 HA MET A 26 -4.949 -0.861 4.509 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.468 -1.618 7.059 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.982 -0.736 7.016 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.873 -2.774 5.644 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.459 -3.610 6.254 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.684 -5.269 8.826 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.737 -5.192 7.049 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.175 -5.359 7.886 1.00 0.00 H new ATOM 349 N CYS A 27 -3.980 1.406 4.520 1.00 0.00 N ATOM 350 CA CYS A 27 -3.470 2.772 4.546 1.00 0.00 C ATOM 351 C CYS A 27 -4.336 3.659 5.434 1.00 0.00 C ATOM 352 O CYS A 27 -5.557 3.509 5.477 1.00 0.00 O ATOM 353 CB CYS A 27 -3.417 3.345 3.129 1.00 0.00 C ATOM 354 SG CYS A 27 -2.369 2.408 1.992 1.00 0.00 S ATOM 0 H CYS A 27 -4.802 1.274 3.931 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.462 2.750 4.959 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.429 3.383 2.726 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.055 4.372 3.177 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.914 2.394 0.812 1.00 0.00 H new ATOM 360 N VAL A 28 -3.695 4.582 6.144 1.00 0.00 N ATOM 361 CA VAL A 28 -4.407 5.494 7.032 1.00 0.00 C ATOM 362 C VAL A 28 -3.787 6.886 7.002 1.00 0.00 C ATOM 363 O VAL A 28 -2.567 7.035 7.058 1.00 0.00 O ATOM 364 CB VAL A 28 -4.409 4.976 8.483 1.00 0.00 C ATOM 365 CG1 VAL A 28 -5.472 3.903 8.666 1.00 0.00 C ATOM 366 CG2 VAL A 28 -3.034 4.445 8.861 1.00 0.00 C ATOM 0 H VAL A 28 -2.684 4.718 6.122 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.434 5.549 6.672 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.648 5.807 9.146 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.458 3.549 9.697 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.453 4.320 8.439 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.267 3.070 7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.054 4.083 9.889 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.764 3.627 8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.298 5.244 8.772 1.00 0.00 H new ATOM 376 N SER A 29 -4.637 7.904 6.915 1.00 0.00 N ATOM 377 CA SER A 29 -4.173 9.286 6.874 1.00 0.00 C ATOM 378 C SER A 29 -3.649 9.724 8.239 1.00 0.00 C ATOM 379 O SER A 29 -4.422 9.948 9.169 1.00 0.00 O ATOM 380 CB SER A 29 -5.305 10.214 6.429 1.00 0.00 C ATOM 381 OG SER A 29 -6.231 10.429 7.479 1.00 0.00 O ATOM 0 H SER A 29 -5.651 7.798 6.872 1.00 0.00 H new ATOM 0 HA SER A 29 -3.357 9.348 6.153 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.891 11.168 6.104 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.818 9.781 5.570 1.00 0.00 H new ATOM 0 HG SER A 29 -5.916 9.978 8.290 1.00 0.00 H new ATOM 387 N MET A 30 -2.330 9.842 8.348 1.00 0.00 N ATOM 388 CA MET A 30 -1.701 10.254 9.598 1.00 0.00 C ATOM 389 C MET A 30 -2.218 11.618 10.043 1.00 0.00 C ATOM 390 O MET A 30 -2.431 11.855 11.232 1.00 0.00 O ATOM 391 CB MET A 30 -0.181 10.299 9.439 1.00 0.00 C ATOM 392 CG MET A 30 0.500 8.969 9.720 1.00 0.00 C ATOM 393 SD MET A 30 0.616 8.607 11.482 1.00 0.00 S ATOM 394 CE MET A 30 -0.868 7.636 11.727 1.00 0.00 C ATOM 0 H MET A 30 -1.676 9.658 7.587 1.00 0.00 H new ATOM 0 HA MET A 30 -1.957 9.521 10.363 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.061 10.614 8.424 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.224 11.055 10.112 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.052 8.171 9.225 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.501 8.979 9.288 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.592 8.216 12.300 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.296 7.376 10.759 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.621 6.724 12.271 1.00 0.00 H new ATOM 404 N GLY A 31 -2.419 12.513 9.080 1.00 0.00 N ATOM 405 CA GLY A 31 -2.909 13.842 9.394 1.00 0.00 C ATOM 406 C GLY A 31 -3.706 14.450 8.256 1.00 0.00 C ATOM 407 O GLY A 31 -4.788 13.968 7.921 1.00 0.00 O ATOM 0 H GLY A 31 -2.251 12.341 8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.534 13.794 10.286 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.065 14.491 9.630 1.00 0.00 H new ATOM 411 N SER A 32 -3.171 15.511 7.661 1.00 0.00 N ATOM 412 CA SER A 32 -3.842 16.189 6.558 1.00 0.00 C ATOM 413 C SER A 32 -3.002 16.121 5.287 1.00 0.00 C ATOM 414 O SER A 32 -3.527 15.934 4.189 1.00 0.00 O ATOM 415 CB SER A 32 -4.121 17.648 6.922 1.00 0.00 C ATOM 416 OG SER A 32 -3.139 18.148 7.813 1.00 0.00 O ATOM 0 H SER A 32 -2.274 15.920 7.924 1.00 0.00 H new ATOM 0 HA SER A 32 -4.789 15.681 6.374 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.138 18.255 6.017 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.107 17.730 7.379 1.00 0.00 H new ATOM 0 HG SER A 32 -3.339 19.083 8.029 1.00 0.00 H new ATOM 422 N THR A 33 -1.690 16.275 5.443 1.00 0.00 N ATOM 423 CA THR A 33 -0.775 16.234 4.310 1.00 0.00 C ATOM 424 C THR A 33 0.198 15.067 4.431 1.00 0.00 C ATOM 425 O THR A 33 1.217 15.020 3.742 1.00 0.00 O ATOM 426 CB THR A 33 0.025 17.544 4.185 1.00 0.00 C ATOM 427 OG1 THR A 33 0.764 17.782 5.388 1.00 0.00 O ATOM 428 CG2 THR A 33 -0.901 18.719 3.911 1.00 0.00 C ATOM 0 H THR A 33 -1.238 16.429 6.344 1.00 0.00 H new ATOM 0 HA THR A 33 -1.385 16.104 3.416 1.00 0.00 H new ATOM 0 HB THR A 33 0.716 17.444 3.348 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.272 18.616 5.301 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.314 19.633 3.827 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.441 18.547 2.980 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.613 18.820 4.730 1.00 0.00 H new ATOM 436 N THR A 34 -0.123 14.124 5.313 1.00 0.00 N ATOM 437 CA THR A 34 0.724 12.957 5.525 1.00 0.00 C ATOM 438 C THR A 34 -0.109 11.684 5.625 1.00 0.00 C ATOM 439 O THR A 34 -1.171 11.672 6.248 1.00 0.00 O ATOM 440 CB THR A 34 1.572 13.103 6.803 1.00 0.00 C ATOM 441 OG1 THR A 34 2.483 14.198 6.663 1.00 0.00 O ATOM 442 CG2 THR A 34 2.347 11.825 7.087 1.00 0.00 C ATOM 0 H THR A 34 -0.963 14.146 5.891 1.00 0.00 H new ATOM 0 HA THR A 34 1.388 12.887 4.663 1.00 0.00 H new ATOM 0 HB THR A 34 0.900 13.295 7.639 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.017 14.285 7.480 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.938 11.952 7.994 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.649 10.999 7.222 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.010 11.608 6.249 1.00 0.00 H new ATOM 450 N VAL A 35 0.378 10.613 5.006 1.00 0.00 N ATOM 451 CA VAL A 35 -0.321 9.334 5.026 1.00 0.00 C ATOM 452 C VAL A 35 0.606 8.208 5.469 1.00 0.00 C ATOM 453 O VAL A 35 1.804 8.230 5.187 1.00 0.00 O ATOM 454 CB VAL A 35 -0.905 8.991 3.643 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.557 7.617 3.664 1.00 0.00 C ATOM 456 CG2 VAL A 35 -1.899 10.056 3.205 1.00 0.00 C ATOM 0 H VAL A 35 1.254 10.606 4.484 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.137 9.431 5.742 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.090 8.968 2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.964 7.392 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.814 6.865 3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.362 7.607 4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.302 9.797 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.713 10.114 3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.396 11.021 3.147 1.00 0.00 H new ATOM 466 N ARG A 36 0.043 7.223 6.162 1.00 0.00 N ATOM 467 CA ARG A 36 0.820 6.088 6.644 1.00 0.00 C ATOM 468 C ARG A 36 0.252 4.775 6.112 1.00 0.00 C ATOM 469 O ARG A 36 -0.856 4.376 6.470 1.00 0.00 O ATOM 470 CB ARG A 36 0.836 6.066 8.173 1.00 0.00 C ATOM 471 CG ARG A 36 1.330 4.753 8.759 1.00 0.00 C ATOM 472 CD ARG A 36 1.194 4.732 10.273 1.00 0.00 C ATOM 473 NE ARG A 36 2.197 5.569 10.925 1.00 0.00 N ATOM 474 CZ ARG A 36 2.304 5.697 12.243 1.00 0.00 C ATOM 475 NH1 ARG A 36 1.473 5.045 13.045 1.00 0.00 N ATOM 476 NH2 ARG A 36 3.243 6.478 12.761 1.00 0.00 N ATOM 0 H ARG A 36 -0.948 7.189 6.402 1.00 0.00 H new ATOM 0 HA ARG A 36 1.841 6.197 6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.470 6.876 8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.171 6.262 8.541 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.764 3.926 8.330 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.374 4.601 8.484 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.198 5.076 10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.289 3.707 10.631 1.00 0.00 H new ATOM 0 HE ARG A 36 2.852 6.084 10.336 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.750 4.444 12.650 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.557 5.145 14.057 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.884 6.981 12.147 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.324 6.575 13.773 1.00 0.00 H new ATOM 490 N VAL A 37 1.018 4.109 5.254 1.00 0.00 N ATOM 491 CA VAL A 37 0.592 2.842 4.672 1.00 0.00 C ATOM 492 C VAL A 37 1.399 1.679 5.238 1.00 0.00 C ATOM 493 O VAL A 37 2.626 1.740 5.316 1.00 0.00 O ATOM 494 CB VAL A 37 0.734 2.852 3.139 1.00 0.00 C ATOM 495 CG1 VAL A 37 2.105 3.372 2.732 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.492 1.461 2.572 1.00 0.00 C ATOM 0 H VAL A 37 1.937 4.426 4.946 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.459 2.712 4.931 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.019 3.523 2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.186 3.372 1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.234 4.388 3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.878 2.729 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.596 1.487 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.220 0.766 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.514 1.132 2.832 1.00 0.00 H new ATOM 506 N SER A 38 0.701 0.618 5.633 1.00 0.00 N ATOM 507 CA SER A 38 1.352 -0.559 6.195 1.00 0.00 C ATOM 508 C SER A 38 0.852 -1.832 5.519 1.00 0.00 C ATOM 509 O SER A 38 -0.324 -1.942 5.173 1.00 0.00 O ATOM 510 CB SER A 38 1.100 -0.636 7.702 1.00 0.00 C ATOM 511 OG SER A 38 -0.256 -0.941 7.977 1.00 0.00 O ATOM 0 H SER A 38 -0.315 0.550 5.574 1.00 0.00 H new ATOM 0 HA SER A 38 2.424 -0.471 6.016 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.744 -1.397 8.143 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.364 0.314 8.167 1.00 0.00 H new ATOM 0 HG SER A 38 -0.835 -0.423 7.380 1.00 0.00 H new ATOM 517 N TRP A 39 1.754 -2.789 5.333 1.00 0.00 N ATOM 518 CA TRP A 39 1.405 -4.055 4.698 1.00 0.00 C ATOM 519 C TRP A 39 2.006 -5.230 5.460 1.00 0.00 C ATOM 520 O TRP A 39 2.985 -5.074 6.191 1.00 0.00 O ATOM 521 CB TRP A 39 1.888 -4.071 3.247 1.00 0.00 C ATOM 522 CG TRP A 39 3.315 -3.638 3.091 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.400 -4.446 2.900 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.811 -2.295 3.115 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.540 -3.685 2.804 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.206 -2.363 2.932 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.212 -1.042 3.272 1.00 0.00 C ATOM 528 CZ2 TRP A 39 6.008 -1.226 2.903 1.00 0.00 C ATOM 529 CZ3 TRP A 39 4.010 0.085 3.243 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.396 -0.012 3.059 1.00 0.00 C ATOM 0 H TRP A 39 2.732 -2.713 5.613 1.00 0.00 H new ATOM 0 HA TRP A 39 0.320 -4.154 4.713 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.775 -5.078 2.845 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.250 -3.417 2.652 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.367 -5.523 2.834 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.483 -4.046 2.661 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.145 -0.957 3.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.076 -1.299 2.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.558 1.058 3.364 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.992 0.888 3.040 1.00 0.00 H new ATOM 541 N VAL A 40 1.416 -6.408 5.285 1.00 0.00 N ATOM 542 CA VAL A 40 1.895 -7.611 5.956 1.00 0.00 C ATOM 543 C VAL A 40 3.204 -8.097 5.344 1.00 0.00 C ATOM 544 O VAL A 40 3.323 -8.275 4.131 1.00 0.00 O ATOM 545 CB VAL A 40 0.855 -8.745 5.885 1.00 0.00 C ATOM 546 CG1 VAL A 40 1.517 -10.092 6.129 1.00 0.00 C ATOM 547 CG2 VAL A 40 -0.266 -8.503 6.884 1.00 0.00 C ATOM 0 H VAL A 40 0.605 -6.555 4.684 1.00 0.00 H new ATOM 0 HA VAL A 40 2.062 -7.346 7.000 1.00 0.00 H new ATOM 0 HB VAL A 40 0.422 -8.756 4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.767 -10.881 6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.281 -10.265 5.371 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.979 -10.097 7.116 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.992 -9.314 6.820 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.147 -8.464 7.892 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.758 -7.557 6.657 1.00 0.00 H new ATOM 656 N ASN A 48 8.125 -17.495 -1.721 1.00 0.00 N ATOM 657 CA ASN A 48 8.566 -17.647 -3.103 1.00 0.00 C ATOM 658 C ASN A 48 9.953 -17.043 -3.301 1.00 0.00 C ATOM 659 O ASN A 48 10.855 -17.691 -3.829 1.00 0.00 O ATOM 660 CB ASN A 48 7.568 -16.985 -4.055 1.00 0.00 C ATOM 661 CG ASN A 48 6.905 -15.767 -3.442 1.00 0.00 C ATOM 662 OD1 ASN A 48 7.578 -14.822 -3.029 1.00 0.00 O ATOM 663 ND2 ASN A 48 5.579 -15.784 -3.379 1.00 0.00 N ATOM 0 HA ASN A 48 8.618 -18.713 -3.326 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.082 -16.693 -4.971 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.803 -17.709 -4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.077 -14.993 -2.976 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.062 -16.588 -3.734 1.00 0.00 H new ATOM 670 N GLY A 49 10.115 -15.795 -2.872 1.00 0.00 N ATOM 671 CA GLY A 49 11.395 -15.123 -3.010 1.00 0.00 C ATOM 672 C GLY A 49 11.739 -14.276 -1.801 1.00 0.00 C ATOM 673 O GLY A 49 11.082 -14.366 -0.764 1.00 0.00 O ATOM 0 H GLY A 49 9.383 -15.237 -2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.177 -15.866 -3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.376 -14.492 -3.898 1.00 0.00 H new ATOM 677 N VAL A 50 12.773 -13.452 -1.933 1.00 0.00 N ATOM 678 CA VAL A 50 13.204 -12.585 -0.842 1.00 0.00 C ATOM 679 C VAL A 50 13.151 -11.118 -1.252 1.00 0.00 C ATOM 680 O VAL A 50 13.762 -10.717 -2.243 1.00 0.00 O ATOM 681 CB VAL A 50 14.634 -12.928 -0.385 1.00 0.00 C ATOM 682 CG1 VAL A 50 15.554 -13.091 -1.585 1.00 0.00 C ATOM 683 CG2 VAL A 50 15.161 -11.859 0.560 1.00 0.00 C ATOM 0 H VAL A 50 13.328 -13.366 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 50 12.516 -12.752 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 50 14.608 -13.876 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.560 -13.333 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.184 -13.895 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.578 -12.161 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 50 16.173 -12.117 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.174 -10.896 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 50 14.515 -11.797 1.436 1.00 0.00 H new ATOM 693 N ILE A 51 12.416 -10.321 -0.483 1.00 0.00 N ATOM 694 CA ILE A 51 12.284 -8.897 -0.766 1.00 0.00 C ATOM 695 C ILE A 51 13.561 -8.145 -0.406 1.00 0.00 C ATOM 696 O ILE A 51 14.122 -8.332 0.675 1.00 0.00 O ATOM 697 CB ILE A 51 11.103 -8.278 0.003 1.00 0.00 C ATOM 698 CG1 ILE A 51 9.884 -9.201 -0.061 1.00 0.00 C ATOM 699 CG2 ILE A 51 10.765 -6.906 -0.561 1.00 0.00 C ATOM 700 CD1 ILE A 51 9.531 -9.639 -1.465 1.00 0.00 C ATOM 0 H ILE A 51 11.903 -10.637 0.340 1.00 0.00 H new ATOM 0 HA ILE A 51 12.099 -8.803 -1.836 1.00 0.00 H new ATOM 0 HB ILE A 51 11.391 -8.159 1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.074 -10.084 0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.027 -8.689 0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.928 -6.481 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.631 -6.251 -0.468 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.493 -7.002 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.658 -10.291 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.309 -8.763 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.372 -10.179 -1.900 1.00 0.00 H new ATOM 712 N THR A 52 14.016 -7.291 -1.318 1.00 0.00 N ATOM 713 CA THR A 52 15.226 -6.509 -1.097 1.00 0.00 C ATOM 714 C THR A 52 14.896 -5.038 -0.871 1.00 0.00 C ATOM 715 O THR A 52 15.710 -4.286 -0.336 1.00 0.00 O ATOM 716 CB THR A 52 16.197 -6.630 -2.286 1.00 0.00 C ATOM 717 OG1 THR A 52 17.515 -6.240 -1.883 1.00 0.00 O ATOM 718 CG2 THR A 52 15.740 -5.762 -3.448 1.00 0.00 C ATOM 0 H THR A 52 13.564 -7.124 -2.217 1.00 0.00 H new ATOM 0 HA THR A 52 15.705 -6.912 -0.204 1.00 0.00 H new ATOM 0 HB THR A 52 16.209 -7.670 -2.612 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.464 -5.422 -1.345 1.00 0.00 H new ATOM 0 HG21 THR A 52 16.441 -5.864 -4.276 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.748 -6.079 -3.771 1.00 0.00 H new ATOM 0 HG23 THR A 52 15.702 -4.720 -3.131 1.00 0.00 H new ATOM 726 N GLN A 53 13.698 -4.635 -1.282 1.00 0.00 N ATOM 727 CA GLN A 53 13.262 -3.253 -1.123 1.00 0.00 C ATOM 728 C GLN A 53 11.785 -3.104 -1.472 1.00 0.00 C ATOM 729 O GLN A 53 11.242 -3.880 -2.259 1.00 0.00 O ATOM 730 CB GLN A 53 14.102 -2.327 -2.006 1.00 0.00 C ATOM 731 CG GLN A 53 13.893 -2.551 -3.495 1.00 0.00 C ATOM 732 CD GLN A 53 14.848 -1.738 -4.346 1.00 0.00 C ATOM 733 OE1 GLN A 53 15.907 -2.221 -4.747 1.00 0.00 O ATOM 734 NE2 GLN A 53 14.477 -0.494 -4.629 1.00 0.00 N ATOM 0 H GLN A 53 13.013 -5.245 -1.727 1.00 0.00 H new ATOM 0 HA GLN A 53 13.400 -2.973 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.860 -1.292 -1.765 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.156 -2.471 -1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.022 -3.609 -3.721 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.867 -2.291 -3.757 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.591 -0.133 -4.276 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.079 0.100 -5.199 1.00 0.00 H new ATOM 743 N TYR A 54 11.140 -2.105 -0.881 1.00 0.00 N ATOM 744 CA TYR A 54 9.725 -1.857 -1.127 1.00 0.00 C ATOM 745 C TYR A 54 9.524 -0.541 -1.873 1.00 0.00 C ATOM 746 O TYR A 54 10.207 0.448 -1.605 1.00 0.00 O ATOM 747 CB TYR A 54 8.953 -1.831 0.193 1.00 0.00 C ATOM 748 CG TYR A 54 8.700 -3.204 0.774 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.738 -4.044 0.226 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.421 -3.660 1.870 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.503 -5.299 0.754 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.194 -4.914 2.403 1.00 0.00 C ATOM 753 CZ TYR A 54 8.234 -5.730 1.841 1.00 0.00 C ATOM 754 OH TYR A 54 8.003 -6.979 2.370 1.00 0.00 O ATOM 0 H TYR A 54 11.575 -1.453 -0.228 1.00 0.00 H new ATOM 0 HA TYR A 54 9.343 -2.668 -1.748 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.509 -1.236 0.918 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.998 -1.331 0.036 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.165 -3.710 -0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.172 -3.023 2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.751 -5.939 0.318 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.765 -5.254 3.255 1.00 0.00 H new ATOM 0 HH TYR A 54 8.602 -7.128 3.131 1.00 0.00 H new ATOM 764 N SER A 55 8.580 -0.537 -2.809 1.00 0.00 N ATOM 765 CA SER A 55 8.290 0.656 -3.596 1.00 0.00 C ATOM 766 C SER A 55 6.899 1.193 -3.275 1.00 0.00 C ATOM 767 O SER A 55 5.897 0.499 -3.446 1.00 0.00 O ATOM 768 CB SER A 55 8.396 0.345 -5.090 1.00 0.00 C ATOM 769 OG SER A 55 9.717 0.549 -5.561 1.00 0.00 O ATOM 0 H SER A 55 8.003 -1.346 -3.041 1.00 0.00 H new ATOM 0 HA SER A 55 9.024 1.419 -3.338 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.097 -0.687 -5.272 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.706 0.979 -5.647 1.00 0.00 H new ATOM 0 HG SER A 55 9.688 0.966 -6.447 1.00 0.00 H new ATOM 775 N VAL A 56 6.845 2.437 -2.808 1.00 0.00 N ATOM 776 CA VAL A 56 5.577 3.070 -2.463 1.00 0.00 C ATOM 777 C VAL A 56 5.249 4.204 -3.427 1.00 0.00 C ATOM 778 O VAL A 56 6.130 4.959 -3.837 1.00 0.00 O ATOM 779 CB VAL A 56 5.600 3.624 -1.025 1.00 0.00 C ATOM 780 CG1 VAL A 56 4.219 4.120 -0.623 1.00 0.00 C ATOM 781 CG2 VAL A 56 6.098 2.564 -0.054 1.00 0.00 C ATOM 0 H VAL A 56 7.664 3.026 -2.660 1.00 0.00 H new ATOM 0 HA VAL A 56 4.808 2.301 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 56 6.288 4.468 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.254 4.508 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.905 4.912 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.507 3.296 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.108 2.972 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.436 1.699 -0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.107 2.261 -0.333 1.00 0.00 H new ATOM 791 N ALA A 57 3.974 4.317 -3.786 1.00 0.00 N ATOM 792 CA ALA A 57 3.529 5.361 -4.701 1.00 0.00 C ATOM 793 C ALA A 57 2.136 5.858 -4.330 1.00 0.00 C ATOM 794 O ALA A 57 1.356 5.139 -3.705 1.00 0.00 O ATOM 795 CB ALA A 57 3.544 4.849 -6.134 1.00 0.00 C ATOM 0 H ALA A 57 3.232 3.699 -3.457 1.00 0.00 H new ATOM 0 HA ALA A 57 4.220 6.200 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.209 5.639 -6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.557 4.549 -6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.876 3.992 -6.221 1.00 0.00 H new ATOM 801 N TYR A 58 1.830 7.091 -4.717 1.00 0.00 N ATOM 802 CA TYR A 58 0.532 7.686 -4.422 1.00 0.00 C ATOM 803 C TYR A 58 0.112 8.653 -5.525 1.00 0.00 C ATOM 804 O TYR A 58 0.952 9.296 -6.154 1.00 0.00 O ATOM 805 CB TYR A 58 0.575 8.415 -3.078 1.00 0.00 C ATOM 806 CG TYR A 58 1.657 9.468 -2.995 1.00 0.00 C ATOM 807 CD1 TYR A 58 2.962 9.126 -2.662 1.00 0.00 C ATOM 808 CD2 TYR A 58 1.374 10.804 -3.248 1.00 0.00 C ATOM 809 CE1 TYR A 58 3.954 10.085 -2.585 1.00 0.00 C ATOM 810 CE2 TYR A 58 2.360 11.770 -3.174 1.00 0.00 C ATOM 811 CZ TYR A 58 3.648 11.405 -2.842 1.00 0.00 C ATOM 812 OH TYR A 58 4.632 12.364 -2.766 1.00 0.00 O ATOM 0 H TYR A 58 2.464 7.699 -5.236 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.203 6.883 -4.369 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.392 8.885 -2.898 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.728 7.685 -2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.205 8.093 -2.460 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.366 11.093 -3.507 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.963 9.802 -2.325 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.123 12.804 -3.375 1.00 0.00 H new ATOM 0 HH TYR A 58 4.726 12.806 -3.635 1.00 0.00 H new ATOM 822 N GLU A 59 -1.194 8.750 -5.752 1.00 0.00 N ATOM 823 CA GLU A 59 -1.726 9.638 -6.778 1.00 0.00 C ATOM 824 C GLU A 59 -3.130 10.112 -6.414 1.00 0.00 C ATOM 825 O GLU A 59 -3.989 9.313 -6.042 1.00 0.00 O ATOM 826 CB GLU A 59 -1.751 8.930 -8.134 1.00 0.00 C ATOM 827 CG GLU A 59 -2.310 9.786 -9.258 1.00 0.00 C ATOM 828 CD GLU A 59 -3.827 9.797 -9.284 1.00 0.00 C ATOM 829 OE1 GLU A 59 -4.438 8.942 -8.610 1.00 0.00 O ATOM 830 OE2 GLU A 59 -4.401 10.661 -9.980 1.00 0.00 O ATOM 0 H GLU A 59 -1.902 8.225 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.073 10.508 -6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.738 8.623 -8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.348 8.022 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.945 10.807 -9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.937 9.415 -10.212 1.00 0.00 H new ATOM 837 N ALA A 60 -3.355 11.417 -6.522 1.00 0.00 N ATOM 838 CA ALA A 60 -4.654 11.998 -6.206 1.00 0.00 C ATOM 839 C ALA A 60 -5.682 11.661 -7.280 1.00 0.00 C ATOM 840 O ALA A 60 -5.562 12.092 -8.426 1.00 0.00 O ATOM 841 CB ALA A 60 -4.532 13.506 -6.044 1.00 0.00 C ATOM 0 H ALA A 60 -2.654 12.093 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.997 11.569 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.509 13.927 -5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.836 13.730 -5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.163 13.943 -6.972 1.00 0.00 H new ATOM 847 N VAL A 61 -6.694 10.885 -6.901 1.00 0.00 N ATOM 848 CA VAL A 61 -7.744 10.490 -7.832 1.00 0.00 C ATOM 849 C VAL A 61 -8.834 11.552 -7.914 1.00 0.00 C ATOM 850 O VAL A 61 -9.387 11.808 -8.984 1.00 0.00 O ATOM 851 CB VAL A 61 -8.380 9.148 -7.424 1.00 0.00 C ATOM 852 CG1 VAL A 61 -9.161 9.299 -6.127 1.00 0.00 C ATOM 853 CG2 VAL A 61 -9.274 8.622 -8.536 1.00 0.00 C ATOM 0 H VAL A 61 -6.808 10.518 -5.956 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.275 10.379 -8.810 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.582 8.424 -7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.603 8.341 -5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.489 9.627 -5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.951 10.038 -6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.715 7.673 -8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.067 9.343 -8.737 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.682 8.473 -9.439 1.00 0.00 H new ATOM 863 N ASP A 62 -9.139 12.168 -6.777 1.00 0.00 N ATOM 864 CA ASP A 62 -10.162 13.205 -6.720 1.00 0.00 C ATOM 865 C ASP A 62 -9.530 14.584 -6.554 1.00 0.00 C ATOM 866 O ASP A 62 -10.160 15.509 -6.043 1.00 0.00 O ATOM 867 CB ASP A 62 -11.131 12.932 -5.568 1.00 0.00 C ATOM 868 CG ASP A 62 -12.525 13.460 -5.847 1.00 0.00 C ATOM 869 OD1 ASP A 62 -12.854 13.668 -7.033 1.00 0.00 O ATOM 870 OD2 ASP A 62 -13.287 13.665 -4.879 1.00 0.00 O ATOM 0 H ASP A 62 -8.692 11.967 -5.882 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.713 13.189 -7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.182 11.858 -5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.747 13.392 -4.657 1.00 0.00 H new ATOM 875 N GLY A 63 -8.280 14.713 -6.988 1.00 0.00 N ATOM 876 CA GLY A 63 -7.584 15.981 -6.877 1.00 0.00 C ATOM 877 C GLY A 63 -7.220 16.563 -8.228 1.00 0.00 C ATOM 878 O GLY A 63 -7.237 15.860 -9.238 1.00 0.00 O ATOM 0 H GLY A 63 -7.737 13.962 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.211 16.690 -6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.677 15.844 -6.288 1.00 0.00 H new ATOM 882 N GLU A 64 -6.891 17.851 -8.248 1.00 0.00 N ATOM 883 CA GLU A 64 -6.524 18.526 -9.487 1.00 0.00 C ATOM 884 C GLU A 64 -5.294 17.878 -10.116 1.00 0.00 C ATOM 885 O GLU A 64 -5.271 17.600 -11.315 1.00 0.00 O ATOM 886 CB GLU A 64 -6.255 20.010 -9.225 1.00 0.00 C ATOM 887 CG GLU A 64 -7.517 20.828 -9.007 1.00 0.00 C ATOM 888 CD GLU A 64 -8.686 20.328 -9.832 1.00 0.00 C ATOM 889 OE1 GLU A 64 -8.659 20.507 -11.068 1.00 0.00 O ATOM 890 OE2 GLU A 64 -9.629 19.759 -9.244 1.00 0.00 O ATOM 0 H GLU A 64 -6.871 18.447 -7.421 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.358 18.433 -10.183 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.614 20.105 -8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.704 20.425 -10.069 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.785 20.801 -7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.318 21.870 -9.259 1.00 0.00 H new ATOM 897 N ASP A 65 -4.274 17.642 -9.299 1.00 0.00 N ATOM 898 CA ASP A 65 -3.041 17.026 -9.774 1.00 0.00 C ATOM 899 C ASP A 65 -3.204 15.516 -9.909 1.00 0.00 C ATOM 900 O ASP A 65 -3.451 14.817 -8.926 1.00 0.00 O ATOM 901 CB ASP A 65 -1.887 17.344 -8.821 1.00 0.00 C ATOM 902 CG ASP A 65 -0.547 16.883 -9.360 1.00 0.00 C ATOM 903 OD1 ASP A 65 -0.406 16.787 -10.597 1.00 0.00 O ATOM 904 OD2 ASP A 65 0.360 16.618 -8.544 1.00 0.00 O ATOM 0 H ASP A 65 -4.277 17.868 -8.304 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.814 17.438 -10.757 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.853 18.419 -8.642 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.072 16.866 -7.859 1.00 0.00 H new ATOM 909 N ARG A 66 -3.065 15.018 -11.134 1.00 0.00 N ATOM 910 CA ARG A 66 -3.200 13.591 -11.398 1.00 0.00 C ATOM 911 C ARG A 66 -1.831 12.933 -11.544 1.00 0.00 C ATOM 912 O ARG A 66 -1.709 11.849 -12.113 1.00 0.00 O ATOM 913 CB ARG A 66 -4.026 13.360 -12.665 1.00 0.00 C ATOM 914 CG ARG A 66 -5.494 13.722 -12.509 1.00 0.00 C ATOM 915 CD ARG A 66 -6.293 12.568 -11.923 1.00 0.00 C ATOM 916 NE ARG A 66 -6.779 11.658 -12.957 1.00 0.00 N ATOM 917 CZ ARG A 66 -7.401 10.514 -12.696 1.00 0.00 C ATOM 918 NH1 ARG A 66 -7.611 10.142 -11.441 1.00 0.00 N ATOM 919 NH2 ARG A 66 -7.814 9.740 -13.691 1.00 0.00 N ATOM 0 H ARG A 66 -2.859 15.582 -11.959 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.714 13.138 -10.550 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.600 13.947 -13.478 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.948 12.312 -12.954 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.588 14.596 -11.864 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.907 13.996 -13.480 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.670 12.017 -11.219 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.139 12.962 -11.360 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.633 11.915 -13.933 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.295 10.735 -10.674 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.089 9.263 -11.243 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.654 10.023 -14.658 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.292 8.862 -13.489 1.00 0.00 H new ATOM 933 N GLY A 67 -0.802 13.598 -11.026 1.00 0.00 N ATOM 934 CA GLY A 67 0.544 13.064 -11.110 1.00 0.00 C ATOM 935 C GLY A 67 0.852 12.088 -9.991 1.00 0.00 C ATOM 936 O GLY A 67 0.826 12.454 -8.816 1.00 0.00 O ATOM 0 H GLY A 67 -0.877 14.497 -10.550 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.674 12.564 -12.070 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.260 13.885 -11.079 1.00 0.00 H new ATOM 940 N ARG A 68 1.142 10.844 -10.356 1.00 0.00 N ATOM 941 CA ARG A 68 1.452 9.812 -9.374 1.00 0.00 C ATOM 942 C ARG A 68 2.906 9.914 -8.920 1.00 0.00 C ATOM 943 O ARG A 68 3.828 9.851 -9.734 1.00 0.00 O ATOM 944 CB ARG A 68 1.186 8.424 -9.960 1.00 0.00 C ATOM 945 CG ARG A 68 1.515 7.288 -9.005 1.00 0.00 C ATOM 946 CD ARG A 68 1.732 5.980 -9.751 1.00 0.00 C ATOM 947 NE ARG A 68 0.512 5.512 -10.403 1.00 0.00 N ATOM 948 CZ ARG A 68 0.470 4.464 -11.218 1.00 0.00 C ATOM 949 NH1 ARG A 68 1.574 3.777 -11.478 1.00 0.00 N ATOM 950 NH2 ARG A 68 -0.679 4.100 -11.774 1.00 0.00 N ATOM 0 H ARG A 68 1.169 10.526 -11.325 1.00 0.00 H new ATOM 0 HA ARG A 68 0.807 9.963 -8.509 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.137 8.355 -10.246 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.773 8.304 -10.870 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.411 7.537 -8.436 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.704 7.168 -8.286 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.514 6.115 -10.499 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.085 5.220 -9.054 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.355 6.018 -10.223 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.459 4.053 -11.052 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.539 2.973 -12.104 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.531 4.625 -11.576 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.710 3.295 -12.400 1.00 0.00 H new ATOM 964 N HIS A 69 3.102 10.073 -7.615 1.00 0.00 N ATOM 965 CA HIS A 69 4.443 10.184 -7.052 1.00 0.00 C ATOM 966 C HIS A 69 5.008 8.806 -6.718 1.00 0.00 C ATOM 967 O HIS A 69 4.263 7.838 -6.571 1.00 0.00 O ATOM 968 CB HIS A 69 4.422 11.057 -5.796 1.00 0.00 C ATOM 969 CG HIS A 69 4.351 12.524 -6.088 1.00 0.00 C ATOM 970 ND1 HIS A 69 5.291 13.427 -5.636 1.00 0.00 N ATOM 971 CD2 HIS A 69 3.448 13.244 -6.793 1.00 0.00 C ATOM 972 CE1 HIS A 69 4.966 14.639 -6.048 1.00 0.00 C ATOM 973 NE2 HIS A 69 3.852 14.556 -6.753 1.00 0.00 N ATOM 0 H HIS A 69 2.350 10.128 -6.928 1.00 0.00 H new ATOM 0 HA HIS A 69 5.086 10.650 -7.799 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.567 10.775 -5.182 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.317 10.855 -5.208 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.572 12.859 -7.294 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.518 15.545 -5.843 1.00 0.00 H new ATOM 0 HE2 HIS A 69 3.370 15.339 -7.196 1.00 0.00 H new ATOM 982 N VAL A 70 6.330 8.726 -6.601 1.00 0.00 N ATOM 983 CA VAL A 70 6.994 7.468 -6.285 1.00 0.00 C ATOM 984 C VAL A 70 8.133 7.682 -5.294 1.00 0.00 C ATOM 985 O VAL A 70 8.992 8.541 -5.494 1.00 0.00 O ATOM 986 CB VAL A 70 7.551 6.793 -7.552 1.00 0.00 C ATOM 987 CG1 VAL A 70 8.234 5.480 -7.202 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.442 6.573 -8.569 1.00 0.00 C ATOM 0 H VAL A 70 6.962 9.518 -6.720 1.00 0.00 H new ATOM 0 HA VAL A 70 6.243 6.818 -5.837 1.00 0.00 H new ATOM 0 HB VAL A 70 8.295 7.453 -7.997 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.621 5.018 -8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.057 5.670 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.514 4.810 -6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.853 6.095 -9.458 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.673 5.933 -8.136 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.004 7.533 -8.843 1.00 0.00 H new ATOM 998 N VAL A 71 8.135 6.893 -4.223 1.00 0.00 N ATOM 999 CA VAL A 71 9.169 6.995 -3.201 1.00 0.00 C ATOM 1000 C VAL A 71 10.297 6.003 -3.460 1.00 0.00 C ATOM 1001 O VAL A 71 10.053 4.838 -3.776 1.00 0.00 O ATOM 1002 CB VAL A 71 8.594 6.744 -1.794 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.695 6.814 -0.747 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.489 7.743 -1.485 1.00 0.00 C ATOM 0 H VAL A 71 7.432 6.177 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 71 9.563 8.010 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 71 8.165 5.742 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.270 6.634 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.449 6.057 -0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.156 7.801 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.094 7.551 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.891 8.755 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.689 7.639 -2.218 1.00 0.00 H new ATOM 1014 N ASP A 72 11.533 6.472 -3.325 1.00 0.00 N ATOM 1015 CA ASP A 72 12.700 5.626 -3.543 1.00 0.00 C ATOM 1016 C ASP A 72 13.566 5.561 -2.289 1.00 0.00 C ATOM 1017 O ASP A 72 13.635 6.519 -1.519 1.00 0.00 O ATOM 1018 CB ASP A 72 13.524 6.151 -4.720 1.00 0.00 C ATOM 1019 CG ASP A 72 13.660 7.661 -4.704 1.00 0.00 C ATOM 1020 OD1 ASP A 72 13.644 8.245 -3.601 1.00 0.00 O ATOM 1021 OD2 ASP A 72 13.782 8.257 -5.794 1.00 0.00 O ATOM 0 H ASP A 72 11.752 7.434 -3.066 1.00 0.00 H new ATOM 0 HA ASP A 72 12.351 4.620 -3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.516 5.700 -4.695 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.056 5.841 -5.654 1.00 0.00 H new ATOM 1026 N GLY A 73 14.226 4.424 -2.089 1.00 0.00 N ATOM 1027 CA GLY A 73 15.078 4.255 -0.927 1.00 0.00 C ATOM 1028 C GLY A 73 14.295 3.875 0.315 1.00 0.00 C ATOM 1029 O GLY A 73 14.394 4.541 1.346 1.00 0.00 O ATOM 0 H GLY A 73 14.186 3.617 -2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.821 3.485 -1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.622 5.181 -0.741 1.00 0.00 H new ATOM 1033 N ILE A 74 13.515 2.804 0.216 1.00 0.00 N ATOM 1034 CA ILE A 74 12.713 2.338 1.340 1.00 0.00 C ATOM 1035 C ILE A 74 13.291 1.059 1.936 1.00 0.00 C ATOM 1036 O ILE A 74 13.398 0.038 1.257 1.00 0.00 O ATOM 1037 CB ILE A 74 11.253 2.081 0.921 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.557 3.400 0.581 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.505 1.351 2.027 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.173 3.221 -0.003 1.00 0.00 C ATOM 0 H ILE A 74 13.421 2.243 -0.631 1.00 0.00 H new ATOM 0 HA ILE A 74 12.734 3.128 2.091 1.00 0.00 H new ATOM 0 HB ILE A 74 11.252 1.451 0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.486 4.007 1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.173 3.954 -0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.475 1.177 1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 74 10.991 0.396 2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.513 1.957 2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.740 4.198 -0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.239 2.641 -0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.541 2.695 0.713 1.00 0.00 H new ATOM 1052 N SER A 75 13.663 1.123 3.211 1.00 0.00 N ATOM 1053 CA SER A 75 14.233 -0.030 3.899 1.00 0.00 C ATOM 1054 C SER A 75 13.297 -1.232 3.813 1.00 0.00 C ATOM 1055 O SER A 75 12.105 -1.126 4.102 1.00 0.00 O ATOM 1056 CB SER A 75 14.511 0.311 5.365 1.00 0.00 C ATOM 1057 OG SER A 75 15.263 1.506 5.476 1.00 0.00 O ATOM 0 H SER A 75 13.580 1.960 3.788 1.00 0.00 H new ATOM 0 HA SER A 75 15.172 -0.287 3.409 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.568 0.419 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.053 -0.509 5.836 1.00 0.00 H new ATOM 0 HG SER A 75 15.426 1.703 6.422 1.00 0.00 H new ATOM 1063 N ARG A 76 13.846 -2.374 3.414 1.00 0.00 N ATOM 1064 CA ARG A 76 13.061 -3.596 3.288 1.00 0.00 C ATOM 1065 C ARG A 76 12.531 -4.044 4.647 1.00 0.00 C ATOM 1066 O ARG A 76 11.576 -4.815 4.727 1.00 0.00 O ATOM 1067 CB ARG A 76 13.907 -4.709 2.666 1.00 0.00 C ATOM 1068 CG ARG A 76 14.975 -5.256 3.600 1.00 0.00 C ATOM 1069 CD ARG A 76 15.926 -6.192 2.871 1.00 0.00 C ATOM 1070 NE ARG A 76 16.758 -6.957 3.796 1.00 0.00 N ATOM 1071 CZ ARG A 76 17.859 -6.476 4.363 1.00 0.00 C ATOM 1072 NH1 ARG A 76 18.257 -5.239 4.101 1.00 0.00 N ATOM 1073 NH2 ARG A 76 18.563 -7.232 5.194 1.00 0.00 N ATOM 0 H ARG A 76 14.831 -2.479 3.172 1.00 0.00 H new ATOM 0 HA ARG A 76 12.212 -3.387 2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.251 -5.524 2.360 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.386 -4.329 1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.538 -4.430 4.035 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.501 -5.787 4.425 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.352 -6.878 2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.564 -5.613 2.204 1.00 0.00 H new ATOM 0 HE ARG A 76 16.479 -7.912 4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.718 -4.654 3.463 1.00 0.00 H new ATOM 0 HH12 ARG A 76 19.103 -4.872 4.538 1.00 0.00 H new ATOM 0 HH21 ARG A 76 18.260 -8.184 5.399 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.408 -6.862 5.629 1.00 0.00 H new ATOM 1087 N GLU A 77 13.159 -3.555 5.712 1.00 0.00 N ATOM 1088 CA GLU A 77 12.751 -3.907 7.067 1.00 0.00 C ATOM 1089 C GLU A 77 11.556 -3.068 7.510 1.00 0.00 C ATOM 1090 O GLU A 77 11.028 -3.250 8.608 1.00 0.00 O ATOM 1091 CB GLU A 77 13.915 -3.711 8.041 1.00 0.00 C ATOM 1092 CG GLU A 77 14.856 -2.585 7.647 1.00 0.00 C ATOM 1093 CD GLU A 77 15.548 -1.958 8.841 1.00 0.00 C ATOM 1094 OE1 GLU A 77 14.852 -1.630 9.825 1.00 0.00 O ATOM 1095 OE2 GLU A 77 16.785 -1.796 8.792 1.00 0.00 O ATOM 0 H GLU A 77 13.951 -2.915 5.663 1.00 0.00 H new ATOM 0 HA GLU A 77 12.457 -4.957 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.516 -3.508 9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.482 -4.640 8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.607 -2.969 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.295 -1.818 7.113 1.00 0.00 H new ATOM 1102 N HIS A 78 11.134 -2.148 6.648 1.00 0.00 N ATOM 1103 CA HIS A 78 10.001 -1.280 6.950 1.00 0.00 C ATOM 1104 C HIS A 78 8.783 -1.669 6.118 1.00 0.00 C ATOM 1105 O HIS A 78 8.685 -1.319 4.941 1.00 0.00 O ATOM 1106 CB HIS A 78 10.367 0.181 6.688 1.00 0.00 C ATOM 1107 CG HIS A 78 11.012 0.856 7.860 1.00 0.00 C ATOM 1108 ND1 HIS A 78 10.520 0.765 9.145 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.117 1.634 7.935 1.00 0.00 C ATOM 1110 CE1 HIS A 78 11.293 1.460 9.960 1.00 0.00 C ATOM 1111 NE2 HIS A 78 12.270 1.997 9.251 1.00 0.00 N ATOM 0 H HIS A 78 11.559 -1.984 5.735 1.00 0.00 H new ATOM 0 HA HIS A 78 9.753 -1.401 8.004 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.042 0.230 5.834 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.466 0.729 6.414 1.00 0.00 H new ATOM 0 HD2 HIS A 78 12.759 1.917 7.114 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.151 1.570 11.025 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.017 2.585 9.621 1.00 0.00 H new ATOM 1120 N SER A 79 7.856 -2.394 6.736 1.00 0.00 N ATOM 1121 CA SER A 79 6.646 -2.834 6.052 1.00 0.00 C ATOM 1122 C SER A 79 5.627 -1.701 5.968 1.00 0.00 C ATOM 1123 O SER A 79 4.472 -1.917 5.602 1.00 0.00 O ATOM 1124 CB SER A 79 6.033 -4.034 6.775 1.00 0.00 C ATOM 1125 OG SER A 79 5.287 -3.621 7.907 1.00 0.00 O ATOM 0 H SER A 79 7.920 -2.689 7.710 1.00 0.00 H new ATOM 0 HA SER A 79 6.919 -3.130 5.039 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.387 -4.584 6.091 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.823 -4.718 7.086 1.00 0.00 H new ATOM 0 HG SER A 79 4.904 -4.406 8.351 1.00 0.00 H new ATOM 1131 N SER A 80 6.065 -0.493 6.310 1.00 0.00 N ATOM 1132 CA SER A 80 5.191 0.673 6.278 1.00 0.00 C ATOM 1133 C SER A 80 5.969 1.924 5.882 1.00 0.00 C ATOM 1134 O SER A 80 7.197 1.955 5.962 1.00 0.00 O ATOM 1135 CB SER A 80 4.530 0.880 7.642 1.00 0.00 C ATOM 1136 OG SER A 80 5.496 0.896 8.679 1.00 0.00 O ATOM 0 H SER A 80 7.019 -0.297 6.612 1.00 0.00 H new ATOM 0 HA SER A 80 4.417 0.496 5.531 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.976 1.819 7.642 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.809 0.084 7.825 1.00 0.00 H new ATOM 0 HG SER A 80 5.049 1.031 9.540 1.00 0.00 H new ATOM 1142 N TRP A 81 5.246 2.953 5.456 1.00 0.00 N ATOM 1143 CA TRP A 81 5.868 4.208 5.048 1.00 0.00 C ATOM 1144 C TRP A 81 4.963 5.393 5.366 1.00 0.00 C ATOM 1145 O TRP A 81 3.744 5.248 5.458 1.00 0.00 O ATOM 1146 CB TRP A 81 6.186 4.180 3.552 1.00 0.00 C ATOM 1147 CG TRP A 81 7.022 5.340 3.101 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.585 6.463 2.458 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.437 5.488 3.256 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.645 7.301 2.205 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.791 6.726 2.685 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.439 4.697 3.823 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 10.105 7.188 2.666 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.743 5.156 3.803 1.00 0.00 C ATOM 1155 CH2 TRP A 81 11.066 6.392 3.228 1.00 0.00 C ATOM 0 H TRP A 81 4.229 2.944 5.384 1.00 0.00 H new ATOM 0 HA TRP A 81 6.796 4.324 5.608 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.707 3.252 3.316 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.252 4.173 2.989 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.559 6.663 2.188 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.587 8.205 1.736 1.00 0.00 H new ATOM 0 HE3 TRP A 81 9.199 3.743 4.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 10.356 8.141 2.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.525 4.552 4.238 1.00 0.00 H new ATOM 0 HH2 TRP A 81 12.094 6.723 3.228 1.00 0.00 H new ATOM 1166 N ASP A 82 5.566 6.565 5.532 1.00 0.00 N ATOM 1167 CA ASP A 82 4.814 7.776 5.838 1.00 0.00 C ATOM 1168 C ASP A 82 4.994 8.820 4.741 1.00 0.00 C ATOM 1169 O ASP A 82 6.005 9.523 4.698 1.00 0.00 O ATOM 1170 CB ASP A 82 5.257 8.351 7.184 1.00 0.00 C ATOM 1171 CG ASP A 82 5.023 7.387 8.331 1.00 0.00 C ATOM 1172 OD1 ASP A 82 3.864 6.966 8.525 1.00 0.00 O ATOM 1173 OD2 ASP A 82 6.000 7.054 9.035 1.00 0.00 O ATOM 0 H ASP A 82 6.574 6.702 5.460 1.00 0.00 H new ATOM 0 HA ASP A 82 3.758 7.513 5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.316 8.604 7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.716 9.278 7.376 1.00 0.00 H new ATOM 1178 N LEU A 83 4.009 8.915 3.855 1.00 0.00 N ATOM 1179 CA LEU A 83 4.059 9.873 2.756 1.00 0.00 C ATOM 1180 C LEU A 83 3.964 11.304 3.275 1.00 0.00 C ATOM 1181 O LEU A 83 3.360 11.558 4.317 1.00 0.00 O ATOM 1182 CB LEU A 83 2.926 9.602 1.765 1.00 0.00 C ATOM 1183 CG LEU A 83 2.885 8.199 1.159 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.558 7.959 0.456 1.00 0.00 C ATOM 1185 CD2 LEU A 83 4.045 8.001 0.194 1.00 0.00 C ATOM 0 H LEU A 83 3.166 8.341 3.876 1.00 0.00 H new ATOM 0 HA LEU A 83 5.015 9.754 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.977 9.786 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.000 10.325 0.953 1.00 0.00 H new ATOM 0 HG LEU A 83 2.981 7.473 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.548 6.955 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.743 8.058 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.431 8.692 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.000 6.997 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.980 8.735 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.987 8.129 0.727 1.00 0.00 H new ATOM 1197 N VAL A 84 4.563 12.236 2.541 1.00 0.00 N ATOM 1198 CA VAL A 84 4.543 13.642 2.926 1.00 0.00 C ATOM 1199 C VAL A 84 4.387 14.544 1.706 1.00 0.00 C ATOM 1200 O VAL A 84 5.146 14.441 0.743 1.00 0.00 O ATOM 1201 CB VAL A 84 5.827 14.036 3.680 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.952 13.242 4.972 1.00 0.00 C ATOM 1203 CG2 VAL A 84 7.048 13.829 2.797 1.00 0.00 C ATOM 0 H VAL A 84 5.068 12.043 1.676 1.00 0.00 H new ATOM 0 HA VAL A 84 3.686 13.777 3.586 1.00 0.00 H new ATOM 0 HB VAL A 84 5.768 15.094 3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.865 13.534 5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.091 13.446 5.609 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.989 12.177 4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.946 14.112 3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.115 12.780 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.959 14.446 1.903 1.00 0.00 H new ATOM 1213 N GLY A 85 3.396 15.429 1.754 1.00 0.00 N ATOM 1214 CA GLY A 85 3.158 16.337 0.647 1.00 0.00 C ATOM 1215 C GLY A 85 1.919 15.972 -0.145 1.00 0.00 C ATOM 1216 O GLY A 85 2.004 15.648 -1.331 1.00 0.00 O ATOM 0 H GLY A 85 2.754 15.533 2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.055 17.352 1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.024 16.332 -0.015 1.00 0.00 H new ATOM 1220 N LEU A 86 0.764 16.023 0.509 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.500 15.693 -0.142 1.00 0.00 C ATOM 1222 C LEU A 86 -1.574 16.720 0.203 1.00 0.00 C ATOM 1223 O LEU A 86 -1.448 17.459 1.178 1.00 0.00 O ATOM 1224 CB LEU A 86 -0.961 14.295 0.275 1.00 0.00 C ATOM 1225 CG LEU A 86 0.120 13.215 0.315 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.394 11.971 1.022 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.587 12.876 -1.093 1.00 0.00 C ATOM 0 H LEU A 86 0.676 16.290 1.490 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.341 15.709 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.414 14.364 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.743 13.972 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 86 0.971 13.601 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.389 11.213 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.678 12.224 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.262 11.582 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.357 12.106 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.257 12.510 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.996 13.769 -1.565 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.630 16.757 -0.604 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.727 17.692 -0.382 1.00 0.00 C ATOM 1241 C GLU A 87 -4.477 17.356 0.903 1.00 0.00 C ATOM 1242 O GLU A 87 -4.417 16.229 1.395 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.692 17.671 -1.570 1.00 0.00 C ATOM 1244 CG GLU A 87 -5.792 18.715 -1.478 1.00 0.00 C ATOM 1245 CD GLU A 87 -5.262 20.091 -1.124 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -4.216 20.485 -1.681 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -5.893 20.773 -0.289 1.00 0.00 O ATOM 0 H GLU A 87 -2.749 16.151 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.304 18.692 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.128 17.830 -2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.146 16.682 -1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.319 18.767 -2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.519 18.406 -0.727 1.00 0.00 H new ATOM 1254 N LYS A 88 -5.183 18.344 1.444 1.00 0.00 N ATOM 1255 CA LYS A 88 -5.947 18.155 2.672 1.00 0.00 C ATOM 1256 C LYS A 88 -7.400 17.814 2.362 1.00 0.00 C ATOM 1257 O LYS A 88 -8.019 18.425 1.491 1.00 0.00 O ATOM 1258 CB LYS A 88 -5.881 19.417 3.536 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.480 19.986 3.676 1.00 0.00 C ATOM 1260 CD LYS A 88 -4.493 21.335 4.376 1.00 0.00 C ATOM 1261 CE LYS A 88 -3.152 22.042 4.249 1.00 0.00 C ATOM 1262 NZ LYS A 88 -2.961 23.063 5.316 1.00 0.00 N ATOM 0 H LYS A 88 -5.242 19.284 1.051 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.507 17.322 3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.531 20.177 3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.272 19.189 4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.858 19.289 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -4.029 20.091 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.277 21.960 3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.734 21.197 5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.348 21.308 4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.085 22.521 3.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.036 23.523 5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.714 23.778 5.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.000 22.603 6.248 1.00 0.00 H new ATOM 1276 N TRP A 89 -7.939 16.836 3.081 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.322 16.415 2.883 1.00 0.00 C ATOM 1278 C TRP A 89 -9.540 15.915 1.459 1.00 0.00 C ATOM 1279 O TRP A 89 -10.530 16.261 0.813 1.00 0.00 O ATOM 1280 CB TRP A 89 -10.277 17.571 3.183 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.602 17.123 3.719 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -11.851 15.998 4.454 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -12.860 17.788 3.562 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -13.188 15.925 4.762 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -13.829 17.011 4.228 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -13.262 18.965 2.926 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -15.172 17.375 4.272 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.596 19.325 2.971 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.538 18.532 3.641 1.00 0.00 C ATOM 0 H TRP A 89 -7.440 16.320 3.806 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.528 15.595 3.571 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -9.809 18.241 3.904 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.438 18.146 2.271 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -11.107 15.273 4.749 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.632 15.182 5.301 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.543 19.583 2.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -15.900 16.765 4.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -14.918 20.232 2.482 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.573 18.841 3.659 1.00 0.00 H new ATOM 1300 N THR A 90 -8.609 15.099 0.973 1.00 0.00 N ATOM 1301 CA THR A 90 -8.700 14.553 -0.375 1.00 0.00 C ATOM 1302 C THR A 90 -8.255 13.095 -0.409 1.00 0.00 C ATOM 1303 O THR A 90 -7.312 12.709 0.280 1.00 0.00 O ATOM 1304 CB THR A 90 -7.844 15.362 -1.368 1.00 0.00 C ATOM 1305 OG1 THR A 90 -8.344 16.700 -1.469 1.00 0.00 O ATOM 1306 CG2 THR A 90 -7.846 14.709 -2.742 1.00 0.00 C ATOM 0 H THR A 90 -7.784 14.802 1.493 1.00 0.00 H new ATOM 0 HA THR A 90 -9.747 14.618 -0.672 1.00 0.00 H new ATOM 0 HB THR A 90 -6.820 15.385 -0.996 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.900 17.160 -2.212 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.235 15.298 -3.426 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.437 13.701 -2.667 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.867 14.659 -3.119 1.00 0.00 H new ATOM 1314 N GLU A 91 -8.941 12.291 -1.215 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.615 10.875 -1.337 1.00 0.00 C ATOM 1316 C GLU A 91 -7.334 10.679 -2.144 1.00 0.00 C ATOM 1317 O GLU A 91 -7.051 11.436 -3.073 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.768 10.118 -1.999 1.00 0.00 C ATOM 1319 CG GLU A 91 -9.883 8.671 -1.552 1.00 0.00 C ATOM 1320 CD GLU A 91 -11.291 8.126 -1.695 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -11.630 7.641 -2.794 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -12.054 8.185 -0.708 1.00 0.00 O ATOM 0 H GLU A 91 -9.725 12.595 -1.792 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.457 10.478 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.703 10.633 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.636 10.146 -3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.199 8.058 -2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.570 8.590 -0.511 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.565 9.658 -1.783 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.313 9.364 -2.470 1.00 0.00 C ATOM 1331 C TYR A 92 -5.131 7.860 -2.651 1.00 0.00 C ATOM 1332 O TYR A 92 -5.318 7.084 -1.713 1.00 0.00 O ATOM 1333 CB TYR A 92 -4.131 9.942 -1.691 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.830 11.385 -2.029 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -3.015 11.711 -3.106 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -4.361 12.421 -1.272 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -2.737 13.028 -3.418 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -4.090 13.741 -1.577 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.277 14.039 -2.651 1.00 0.00 C ATOM 1340 OH TYR A 92 -3.003 15.352 -2.960 1.00 0.00 O ATOM 0 H TYR A 92 -6.787 9.020 -1.019 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.351 9.828 -3.455 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.337 9.863 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.245 9.339 -1.890 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.592 10.922 -3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.997 12.191 -0.430 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.100 13.264 -4.258 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.512 14.535 -0.978 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.855 15.437 -3.925 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.765 7.456 -3.863 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.557 6.045 -4.168 1.00 0.00 C ATOM 1352 C ARG A 93 -3.095 5.656 -3.974 1.00 0.00 C ATOM 1353 O ARG A 93 -2.228 6.052 -4.754 1.00 0.00 O ATOM 1354 CB ARG A 93 -4.991 5.743 -5.603 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.432 6.128 -5.898 1.00 0.00 C ATOM 1356 CD ARG A 93 -6.849 5.697 -7.295 1.00 0.00 C ATOM 1357 NE ARG A 93 -7.349 4.325 -7.318 1.00 0.00 N ATOM 1358 CZ ARG A 93 -8.580 3.985 -6.954 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -9.433 4.913 -6.542 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -8.961 2.715 -7.002 1.00 0.00 N ATOM 0 H ARG A 93 -4.606 8.085 -4.650 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.165 5.457 -3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.334 6.274 -6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.862 4.678 -5.796 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.091 5.667 -5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.549 7.207 -5.799 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.621 6.371 -7.667 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -5.998 5.784 -7.970 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.718 3.587 -7.631 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.144 5.891 -6.504 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.378 4.649 -6.263 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.308 1.998 -7.319 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.907 2.455 -6.722 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.827 4.879 -2.930 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.470 4.436 -2.634 1.00 0.00 C ATOM 1376 C VAL A 94 -1.235 3.015 -3.134 1.00 0.00 C ATOM 1377 O VAL A 94 -2.073 2.133 -2.947 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.179 4.491 -1.123 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.204 3.932 -0.825 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.310 5.916 -0.607 1.00 0.00 C ATOM 0 H VAL A 94 -3.532 4.543 -2.274 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.794 5.117 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.913 3.873 -0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.392 3.979 0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.257 2.895 -1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.955 4.521 -1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.101 5.936 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.600 6.558 -1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.323 6.276 -0.786 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.089 2.801 -3.771 1.00 0.00 N ATOM 1391 CA TRP A 95 0.258 1.486 -4.298 1.00 0.00 C ATOM 1392 C TRP A 95 1.612 1.027 -3.770 1.00 0.00 C ATOM 1393 O TRP A 95 2.642 1.632 -4.067 1.00 0.00 O ATOM 1394 CB TRP A 95 0.276 1.515 -5.827 1.00 0.00 C ATOM 1395 CG TRP A 95 -1.055 1.846 -6.431 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -2.094 0.986 -6.647 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.490 3.128 -6.897 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.148 1.656 -7.220 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -2.803 2.972 -7.383 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -0.899 4.393 -6.950 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.531 4.033 -7.915 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -1.622 5.445 -7.478 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -2.927 5.261 -7.954 1.00 0.00 C ATOM 0 H TRP A 95 0.615 3.521 -3.935 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.500 0.777 -3.964 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.011 2.248 -6.161 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.604 0.544 -6.198 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.088 -0.066 -6.403 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.042 1.241 -7.482 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.106 4.546 -6.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.536 3.892 -8.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.174 6.426 -7.525 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.467 6.104 -8.359 1.00 0.00 H new ATOM 1414 N VAL A 96 1.605 -0.046 -2.986 1.00 0.00 N ATOM 1415 CA VAL A 96 2.834 -0.587 -2.417 1.00 0.00 C ATOM 1416 C VAL A 96 3.116 -1.987 -2.950 1.00 0.00 C ATOM 1417 O VAL A 96 2.287 -2.889 -2.825 1.00 0.00 O ATOM 1418 CB VAL A 96 2.766 -0.638 -0.880 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.458 -1.268 -0.424 1.00 0.00 C ATOM 1420 CG2 VAL A 96 3.958 -1.399 -0.319 1.00 0.00 C ATOM 0 H VAL A 96 0.761 -0.559 -2.730 1.00 0.00 H new ATOM 0 HA VAL A 96 3.642 0.081 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 96 2.803 0.382 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.428 -1.296 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.621 -0.677 -0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.387 -2.283 -0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.894 -1.425 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.955 -2.417 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.881 -0.900 -0.616 1.00 0.00 H new ATOM 1430 N ARG A 97 4.292 -2.162 -3.544 1.00 0.00 N ATOM 1431 CA ARG A 97 4.684 -3.453 -4.096 1.00 0.00 C ATOM 1432 C ARG A 97 5.985 -3.942 -3.466 1.00 0.00 C ATOM 1433 O ARG A 97 6.640 -3.211 -2.724 1.00 0.00 O ATOM 1434 CB ARG A 97 4.847 -3.354 -5.614 1.00 0.00 C ATOM 1435 CG ARG A 97 6.094 -2.599 -6.045 1.00 0.00 C ATOM 1436 CD ARG A 97 5.888 -1.900 -7.380 1.00 0.00 C ATOM 1437 NE ARG A 97 6.165 -2.784 -8.509 1.00 0.00 N ATOM 1438 CZ ARG A 97 5.717 -2.565 -9.740 1.00 0.00 C ATOM 1439 NH1 ARG A 97 4.975 -1.498 -9.999 1.00 0.00 N ATOM 1440 NH2 ARG A 97 6.011 -3.416 -10.715 1.00 0.00 N ATOM 0 H ARG A 97 4.990 -1.426 -3.655 1.00 0.00 H new ATOM 0 HA ARG A 97 3.897 -4.171 -3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 97 4.878 -4.359 -6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.970 -2.860 -6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.356 -1.864 -5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.932 -3.292 -6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.862 -1.539 -7.446 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.537 -1.026 -7.436 1.00 0.00 H new ATOM 0 HE ARG A 97 6.733 -3.615 -8.343 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.746 -0.842 -9.252 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.632 -1.333 -10.945 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.581 -4.239 -10.519 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.667 -3.247 -11.660 1.00 0.00 H new ATOM 1454 N ALA A 98 6.351 -5.184 -3.765 1.00 0.00 N ATOM 1455 CA ALA A 98 7.573 -5.770 -3.229 1.00 0.00 C ATOM 1456 C ALA A 98 8.590 -6.029 -4.335 1.00 0.00 C ATOM 1457 O ALA A 98 8.264 -6.621 -5.365 1.00 0.00 O ATOM 1458 CB ALA A 98 7.258 -7.061 -2.487 1.00 0.00 C ATOM 0 H ALA A 98 5.819 -5.804 -4.376 1.00 0.00 H new ATOM 0 HA ALA A 98 8.010 -5.058 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.180 -7.488 -2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.574 -6.851 -1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.794 -7.771 -3.172 1.00 0.00 H new ATOM 1464 N HIS A 99 9.822 -5.581 -4.118 1.00 0.00 N ATOM 1465 CA HIS A 99 10.886 -5.764 -5.098 1.00 0.00 C ATOM 1466 C HIS A 99 11.871 -6.834 -4.636 1.00 0.00 C ATOM 1467 O HIS A 99 12.449 -6.736 -3.553 1.00 0.00 O ATOM 1468 CB HIS A 99 11.622 -4.445 -5.335 1.00 0.00 C ATOM 1469 CG HIS A 99 10.859 -3.477 -6.185 1.00 0.00 C ATOM 1470 ND1 HIS A 99 9.754 -3.837 -6.929 1.00 0.00 N ATOM 1471 CD2 HIS A 99 11.044 -2.154 -6.406 1.00 0.00 C ATOM 1472 CE1 HIS A 99 9.295 -2.778 -7.571 1.00 0.00 C ATOM 1473 NE2 HIS A 99 10.060 -1.744 -7.271 1.00 0.00 N ATOM 0 H HIS A 99 10.108 -5.088 -3.272 1.00 0.00 H new ATOM 0 HA HIS A 99 10.433 -6.092 -6.034 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.836 -3.980 -4.373 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.581 -4.654 -5.809 1.00 0.00 H new ATOM 0 HD2 HIS A 99 11.821 -1.536 -5.981 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.439 -2.761 -8.230 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.939 -0.795 -7.625 1.00 0.00 H new ATOM 1482 N THR A 100 12.058 -7.856 -5.465 1.00 0.00 N ATOM 1483 CA THR A 100 12.971 -8.945 -5.142 1.00 0.00 C ATOM 1484 C THR A 100 14.365 -8.678 -5.698 1.00 0.00 C ATOM 1485 O THR A 100 14.545 -7.819 -6.562 1.00 0.00 O ATOM 1486 CB THR A 100 12.460 -10.289 -5.694 1.00 0.00 C ATOM 1487 OG1 THR A 100 11.867 -10.096 -6.983 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.442 -10.911 -4.750 1.00 0.00 C ATOM 0 H THR A 100 11.589 -7.952 -6.366 1.00 0.00 H new ATOM 0 HA THR A 100 13.021 -9.002 -4.055 1.00 0.00 H new ATOM 0 HB THR A 100 13.310 -10.966 -5.783 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.164 -9.239 -7.355 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.096 -11.859 -5.162 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.905 -11.085 -3.779 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.595 -10.236 -4.632 1.00 0.00 H new ATOM 1496 N ASP A 101 15.348 -9.417 -5.197 1.00 0.00 N ATOM 1497 CA ASP A 101 16.727 -9.261 -5.645 1.00 0.00 C ATOM 1498 C ASP A 101 16.873 -9.668 -7.108 1.00 0.00 C ATOM 1499 O ASP A 101 17.921 -9.461 -7.720 1.00 0.00 O ATOM 1500 CB ASP A 101 17.667 -10.096 -4.774 1.00 0.00 C ATOM 1501 CG ASP A 101 18.981 -10.399 -5.466 1.00 0.00 C ATOM 1502 OD1 ASP A 101 18.991 -11.265 -6.366 1.00 0.00 O ATOM 1503 OD2 ASP A 101 20.000 -9.771 -5.108 1.00 0.00 O ATOM 0 H ASP A 101 15.216 -10.130 -4.480 1.00 0.00 H new ATOM 0 HA ASP A 101 16.996 -8.209 -5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.864 -9.564 -3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.176 -11.032 -4.508 1.00 0.00 H new ATOM 1508 N VAL A 102 15.814 -10.250 -7.663 1.00 0.00 N ATOM 1509 CA VAL A 102 15.824 -10.687 -9.054 1.00 0.00 C ATOM 1510 C VAL A 102 15.141 -9.665 -9.956 1.00 0.00 C ATOM 1511 O VAL A 102 15.448 -9.565 -11.143 1.00 0.00 O ATOM 1512 CB VAL A 102 15.125 -12.049 -9.219 1.00 0.00 C ATOM 1513 CG1 VAL A 102 15.774 -13.094 -8.325 1.00 0.00 C ATOM 1514 CG2 VAL A 102 13.639 -11.926 -8.917 1.00 0.00 C ATOM 0 H VAL A 102 14.939 -10.430 -7.171 1.00 0.00 H new ATOM 0 HA VAL A 102 16.869 -10.785 -9.348 1.00 0.00 H new ATOM 0 HB VAL A 102 15.236 -12.371 -10.254 1.00 0.00 H new ATOM 0 HG11 VAL A 102 15.267 -14.050 -8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 102 16.825 -13.201 -8.594 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.696 -12.781 -7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 102 13.161 -12.898 -9.039 1.00 0.00 H new ATOM 0 HG22 VAL A 102 13.503 -11.581 -7.892 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.186 -11.211 -9.604 1.00 0.00 H new ATOM 1524 N GLY A 103 14.210 -8.907 -9.383 1.00 0.00 N ATOM 1525 CA GLY A 103 13.497 -7.901 -10.150 1.00 0.00 C ATOM 1526 C GLY A 103 12.321 -7.320 -9.391 1.00 0.00 C ATOM 1527 O GLY A 103 12.102 -7.620 -8.218 1.00 0.00 O ATOM 0 H GLY A 103 13.937 -8.972 -8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.184 -7.099 -10.419 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.142 -8.342 -11.081 1.00 0.00 H new ATOM 1531 N PRO A 104 11.540 -6.465 -10.068 1.00 0.00 N ATOM 1532 CA PRO A 104 10.366 -5.822 -9.469 1.00 0.00 C ATOM 1533 C PRO A 104 9.232 -6.808 -9.212 1.00 0.00 C ATOM 1534 O PRO A 104 9.409 -8.019 -9.338 1.00 0.00 O ATOM 1535 CB PRO A 104 9.951 -4.792 -10.523 1.00 0.00 C ATOM 1536 CG PRO A 104 10.469 -5.336 -11.809 1.00 0.00 C ATOM 1537 CD PRO A 104 11.741 -6.062 -11.470 1.00 0.00 C ATOM 0 HA PRO A 104 10.591 -5.389 -8.494 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.868 -4.670 -10.552 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.377 -3.812 -10.308 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.745 -6.010 -12.267 1.00 0.00 H new ATOM 0 HG3 PRO A 104 10.656 -4.535 -12.524 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.896 -6.925 -12.118 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.613 -5.418 -11.582 1.00 0.00 H new ATOM 1545 N GLY A 105 8.066 -6.281 -8.851 1.00 0.00 N ATOM 1546 CA GLY A 105 6.920 -7.129 -8.582 1.00 0.00 C ATOM 1547 C GLY A 105 5.603 -6.417 -8.817 1.00 0.00 C ATOM 1548 O GLY A 105 5.555 -5.201 -9.004 1.00 0.00 O ATOM 0 H GLY A 105 7.895 -5.282 -8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.970 -8.013 -9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.963 -7.475 -7.549 1.00 0.00 H new ATOM 1552 N PRO A 106 4.502 -7.183 -8.812 1.00 0.00 N ATOM 1553 CA PRO A 106 3.158 -6.638 -9.027 1.00 0.00 C ATOM 1554 C PRO A 106 2.686 -5.782 -7.857 1.00 0.00 C ATOM 1555 O PRO A 106 3.041 -6.037 -6.707 1.00 0.00 O ATOM 1556 CB PRO A 106 2.286 -7.889 -9.160 1.00 0.00 C ATOM 1557 CG PRO A 106 3.024 -8.947 -8.414 1.00 0.00 C ATOM 1558 CD PRO A 106 4.485 -8.639 -8.596 1.00 0.00 C ATOM 0 HA PRO A 106 3.119 -5.980 -9.895 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.294 -7.727 -8.739 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.147 -8.165 -10.205 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.753 -8.942 -7.358 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.783 -9.937 -8.800 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.068 -8.922 -7.719 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.906 -9.176 -9.446 1.00 0.00 H new ATOM 1566 N GLU A 107 1.884 -4.765 -8.159 1.00 0.00 N ATOM 1567 CA GLU A 107 1.364 -3.871 -7.131 1.00 0.00 C ATOM 1568 C GLU A 107 0.292 -4.566 -6.297 1.00 0.00 C ATOM 1569 O GLU A 107 -0.016 -5.738 -6.515 1.00 0.00 O ATOM 1570 CB GLU A 107 0.789 -2.605 -7.769 1.00 0.00 C ATOM 1571 CG GLU A 107 1.784 -1.856 -8.640 1.00 0.00 C ATOM 1572 CD GLU A 107 2.643 -0.890 -7.846 1.00 0.00 C ATOM 1573 OE1 GLU A 107 2.753 -1.068 -6.615 1.00 0.00 O ATOM 1574 OE2 GLU A 107 3.204 0.043 -8.457 1.00 0.00 O ATOM 0 H GLU A 107 1.581 -4.540 -9.107 1.00 0.00 H new ATOM 0 HA GLU A 107 2.189 -3.596 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.078 -2.874 -8.372 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.436 -1.940 -6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.427 -2.573 -9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.244 -1.307 -9.412 1.00 0.00 H new ATOM 1581 N SER A 108 -0.272 -3.835 -5.342 1.00 0.00 N ATOM 1582 CA SER A 108 -1.307 -4.382 -4.471 1.00 0.00 C ATOM 1583 C SER A 108 -2.596 -3.573 -4.586 1.00 0.00 C ATOM 1584 O SER A 108 -2.680 -2.626 -5.367 1.00 0.00 O ATOM 1585 CB SER A 108 -0.827 -4.395 -3.019 1.00 0.00 C ATOM 1586 OG SER A 108 -0.511 -3.087 -2.574 1.00 0.00 O ATOM 0 H SER A 108 -0.030 -2.863 -5.151 1.00 0.00 H new ATOM 0 HA SER A 108 -1.511 -5.405 -4.787 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.600 -4.823 -2.381 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.051 -5.035 -2.929 1.00 0.00 H new ATOM 0 HG SER A 108 0.455 -2.941 -2.648 1.00 0.00 H new ATOM 1592 N SER A 109 -3.598 -3.955 -3.800 1.00 0.00 N ATOM 1593 CA SER A 109 -4.884 -3.268 -3.815 1.00 0.00 C ATOM 1594 C SER A 109 -4.757 -1.863 -3.235 1.00 0.00 C ATOM 1595 O SER A 109 -4.324 -1.669 -2.099 1.00 0.00 O ATOM 1596 CB SER A 109 -5.922 -4.067 -3.023 1.00 0.00 C ATOM 1597 OG SER A 109 -7.235 -3.783 -3.472 1.00 0.00 O ATOM 0 H SER A 109 -3.544 -4.736 -3.146 1.00 0.00 H new ATOM 0 HA SER A 109 -5.212 -3.186 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.721 -5.133 -3.127 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.837 -3.829 -1.963 1.00 0.00 H new ATOM 0 HG SER A 109 -7.879 -4.307 -2.952 1.00 0.00 H new ATOM 1603 N PRO A 110 -5.145 -0.857 -4.033 1.00 0.00 N ATOM 1604 CA PRO A 110 -5.085 0.548 -3.622 1.00 0.00 C ATOM 1605 C PRO A 110 -6.109 0.880 -2.542 1.00 0.00 C ATOM 1606 O PRO A 110 -7.305 0.640 -2.711 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.401 1.310 -4.911 1.00 0.00 C ATOM 1608 CG PRO A 110 -6.200 0.354 -5.729 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.672 -1.015 -5.399 1.00 0.00 C ATOM 0 HA PRO A 110 -4.119 0.804 -3.186 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.963 2.221 -4.705 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.489 1.608 -5.428 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.261 0.430 -5.493 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.094 0.567 -6.793 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.457 -1.770 -5.442 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.894 -1.325 -6.097 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.633 1.435 -1.432 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.508 1.802 -0.324 1.00 0.00 C ATOM 1619 C VAL A 111 -6.867 3.282 -0.375 1.00 0.00 C ATOM 1620 O VAL A 111 -5.992 4.147 -0.312 1.00 0.00 O ATOM 1621 CB VAL A 111 -5.854 1.489 1.035 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -6.757 1.932 2.176 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.533 0.006 1.143 1.00 0.00 C ATOM 0 H VAL A 111 -4.646 1.640 -1.276 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.416 1.208 -0.427 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.919 2.045 1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.279 1.703 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.931 3.006 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.709 1.405 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.072 -0.197 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.452 -0.573 1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.845 -0.276 0.346 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.159 3.568 -0.488 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.636 4.946 -0.547 1.00 0.00 C ATOM 1635 C LEU A 112 -8.733 5.548 0.851 1.00 0.00 C ATOM 1636 O LEU A 112 -9.524 5.096 1.680 1.00 0.00 O ATOM 1637 CB LEU A 112 -10.000 5.006 -1.236 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.119 4.242 -2.556 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.538 4.329 -3.097 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.124 4.778 -3.574 1.00 0.00 C ATOM 0 H LEU A 112 -8.896 2.864 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.919 5.528 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.750 4.619 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.246 6.052 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.887 3.193 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.604 3.780 -4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.230 3.896 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.799 5.373 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.223 4.223 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.324 5.834 -3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.111 4.662 -3.189 1.00 0.00 H new ATOM 1652 N VAL A 113 -7.925 6.573 1.106 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.922 7.240 2.403 1.00 0.00 C ATOM 1654 C VAL A 113 -8.149 8.739 2.250 1.00 0.00 C ATOM 1655 O VAL A 113 -7.540 9.385 1.397 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.597 7.005 3.152 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.479 5.552 3.586 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.416 7.409 2.282 1.00 0.00 C ATOM 0 H VAL A 113 -7.264 6.959 0.432 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.739 6.810 2.983 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.589 7.627 4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.537 5.405 4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.308 5.301 4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.508 4.907 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.487 7.237 2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.417 6.814 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.496 8.466 2.027 1.00 0.00 H new ATOM 1668 N ARG A 114 -9.028 9.288 3.082 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.335 10.712 3.039 1.00 0.00 C ATOM 1670 C ARG A 114 -8.618 11.457 4.160 1.00 0.00 C ATOM 1671 O ARG A 114 -8.930 11.278 5.338 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.845 10.933 3.148 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.230 12.377 3.428 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.691 12.495 3.833 1.00 0.00 C ATOM 1675 NE ARG A 114 -12.867 12.403 5.280 1.00 0.00 N ATOM 1676 CZ ARG A 114 -13.100 11.263 5.921 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -13.184 10.125 5.247 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -13.248 11.260 7.240 1.00 0.00 N ATOM 0 H ARG A 114 -9.540 8.768 3.794 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.985 11.105 2.084 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.319 10.613 2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.240 10.300 3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.598 12.776 4.221 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.047 12.982 2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -13.090 13.446 3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -13.267 11.707 3.347 1.00 0.00 H new ATOM 0 HE ARG A 114 -12.808 13.261 5.828 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -13.070 10.123 4.233 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -13.363 9.251 5.742 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -13.183 12.134 7.762 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -13.427 10.384 7.731 1.00 0.00 H new ATOM 1692 N THR A 115 -7.655 12.294 3.787 1.00 0.00 N ATOM 1693 CA THR A 115 -6.892 13.065 4.761 1.00 0.00 C ATOM 1694 C THR A 115 -7.810 13.926 5.621 1.00 0.00 C ATOM 1695 O THR A 115 -8.918 14.272 5.210 1.00 0.00 O ATOM 1696 CB THR A 115 -5.855 13.972 4.071 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.482 14.731 3.031 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.718 13.147 3.488 1.00 0.00 C ATOM 0 H THR A 115 -7.385 12.455 2.817 1.00 0.00 H new ATOM 0 HA THR A 115 -6.372 12.347 5.395 1.00 0.00 H new ATOM 0 HB THR A 115 -5.445 14.651 4.818 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.798 15.208 2.516 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.998 13.809 3.006 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.224 12.593 4.286 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.116 12.447 2.753 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.343 14.268 6.817 1.00 0.00 N ATOM 1707 CA ASP A 116 -8.122 15.090 7.735 1.00 0.00 C ATOM 1708 C ASP A 116 -8.676 16.322 7.026 1.00 0.00 C ATOM 1709 O ASP A 116 -8.084 16.815 6.067 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.262 15.516 8.926 1.00 0.00 C ATOM 1711 CG ASP A 116 -7.325 14.524 10.071 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -8.218 13.650 10.050 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -6.483 14.621 10.987 1.00 0.00 O ATOM 0 H ASP A 116 -6.429 13.989 7.173 1.00 0.00 H new ATOM 0 HA ASP A 116 -8.960 14.493 8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.227 15.627 8.602 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.592 16.493 9.278 1.00 0.00 H new ATOM 1718 N GLU A 117 -9.816 16.811 7.504 1.00 0.00 N ATOM 1719 CA GLU A 117 -10.450 17.984 6.913 1.00 0.00 C ATOM 1720 C GLU A 117 -9.964 19.263 7.588 1.00 0.00 C ATOM 1721 O GLU A 117 -9.572 19.252 8.755 1.00 0.00 O ATOM 1722 CB GLU A 117 -11.972 17.880 7.029 1.00 0.00 C ATOM 1723 CG GLU A 117 -12.530 18.495 8.301 1.00 0.00 C ATOM 1724 CD GLU A 117 -13.939 18.027 8.607 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -14.375 17.023 8.006 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -14.606 18.665 9.449 1.00 0.00 O ATOM 0 H GLU A 117 -10.319 16.414 8.298 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.174 18.023 5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.428 18.370 6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.260 16.830 6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.878 18.244 9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.524 19.581 8.208 1.00 0.00 H new