USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 801 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: B 81 ASN : amide:sc= 1.72 K(o=2.9,f=-2.3) USER MOD Set 1.2: B 83 SER OG : rot 85:sc= 1.13 USER MOD Set 2.1: B 66 GLN :FLIP amide:sc= 0.724 F(o=-3.7,f=-1.7) USER MOD Set 2.2: B 76 ASN :FLIP amide:sc= -2.45! C(o=-3.7!,f=-1.7!) USER MOD Set 3.1: B 56 SER OG : rot 126:sc= 0.618 USER MOD Set 3.2: B 64 GLN :FLIP amide:sc= -1.19 F(o=-2.3!,f=-1.5) USER MOD Set 3.3: B 78 HIS :FLIP no HD1:sc= -0.956 X(o=-1.8,f=-1.5) USER MOD Set 4.1: B 45 HIS : no HE2:sc= -1.48! C(o=-0.45!,f=-2.9!) USER MOD Set 4.2: B 75 THR OG1 : rot -132:sc= 1.03 USER MOD Set 5.1: B 13 LYS NZ :NH3+ -141:sc= 0.865 (180deg=0) USER MOD Set 5.2: B 25 TYR OH : rot 180:sc= 0.759 USER MOD Set 6.1: A 414 LYS NZ :NH3+ 134:sc= 1.97 (180deg=-1.12!) USER MOD Set 6.2: B 97 GLN : amide:sc= -5.89! C(o=-3.9!,f=-12!) USER MOD Single : B 14 LYS NZ :NH3+ -134:sc= 1.62 (180deg=-1.42) USER MOD Single : B 17 GLN : amide:sc= 0.102 K(o=0.1,f=-1) USER MOD Single : B 18 LYS NZ :NH3+ -159:sc= 1.18 (180deg=1.02) USER MOD Single : B 19 LYS NZ :NH3+ 157:sc=-0.00346 (180deg=-0.246) USER MOD Single : B 20 GLN : amide:sc= 0.832 K(o=0.83,f=0) USER MOD Single : B 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 42 THR OG1 : rot -15:sc= -0.0506 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -136:sc= -0.291 (180deg=-1.12) USER MOD Single : B 47 TYR OH : rot 145:sc= 1.01 USER MOD Single : B 51 LYS NZ :NH3+ -173:sc= 1.7 (180deg=1.56) USER MOD Single : B 52 CYS SG : rot 104:sc= 1.17 USER MOD Single : B 53 GLN : amide:sc= -2.85! C(o=-2.8!,f=-9.5!) USER MOD Single : B 54 LYS NZ :NH3+ 167:sc= 0.513 (180deg=-1.19!) USER MOD Single : B 60 LYS NZ :NH3+ -177:sc= 0.326 (180deg=0.192) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS : no HD1:sc= 0.0125 K(o=0.012,f=-2.7) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 80 SER OG : rot 45:sc= 0.36 USER MOD Single : B 84 THR OG1 : rot 50:sc= 1.23 USER MOD Single : B 87 LYS NZ :NH3+ -118:sc= 1.16 (180deg=-3.21!) USER MOD Single : B 93 LYS NZ :NH3+ -158:sc= 2.16 (180deg=2.09) USER MOD Single : B 98 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.00042) USER MOD ----------------------------------------------------------------- ATOM 229 N ASP A 405 10.000 9.210 11.880 1.00 0.00 N ATOM 230 CA ASP A 405 9.779 7.781 12.084 1.00 0.00 C ATOM 231 C ASP A 405 8.799 7.522 13.217 1.00 0.00 C ATOM 232 O ASP A 405 8.441 6.374 13.493 1.00 0.00 O ATOM 233 CB ASP A 405 11.101 7.056 12.365 1.00 0.00 C ATOM 234 CG ASP A 405 12.106 7.179 11.232 1.00 0.00 C ATOM 235 OD1 ASP A 405 13.284 7.485 11.512 1.00 0.00 O ATOM 236 OD2 ASP A 405 11.727 6.969 10.059 1.00 0.00 O ATOM 0 HA ASP A 405 9.348 7.389 11.163 1.00 0.00 H new ATOM 0 HB2 ASP A 405 11.541 7.458 13.277 1.00 0.00 H new ATOM 0 HB3 ASP A 405 10.897 6.001 12.548 1.00 0.00 H new ATOM 241 N GLU A 406 8.350 8.580 13.867 1.00 0.00 N ATOM 242 CA GLU A 406 7.409 8.443 14.961 1.00 0.00 C ATOM 243 C GLU A 406 6.111 9.151 14.644 1.00 0.00 C ATOM 244 O GLU A 406 5.954 9.715 13.566 1.00 0.00 O ATOM 245 CB GLU A 406 7.981 8.984 16.278 1.00 0.00 C ATOM 246 CG GLU A 406 8.894 10.200 16.139 1.00 0.00 C ATOM 247 CD GLU A 406 8.328 11.307 15.264 1.00 0.00 C ATOM 248 OE1 GLU A 406 7.557 12.145 15.774 1.00 0.00 O ATOM 249 OE2 GLU A 406 8.658 11.339 14.064 1.00 0.00 O ATOM 0 H GLU A 406 8.621 9.540 13.657 1.00 0.00 H new ATOM 0 HA GLU A 406 7.218 7.377 15.085 1.00 0.00 H new ATOM 0 HB2 GLU A 406 7.152 9.245 16.936 1.00 0.00 H new ATOM 0 HB3 GLU A 406 8.538 8.186 16.769 1.00 0.00 H new ATOM 0 HG2 GLU A 406 9.096 10.604 17.131 1.00 0.00 H new ATOM 0 HG3 GLU A 406 9.849 9.878 15.725 1.00 0.00 H new ATOM 256 N ASP A 407 5.186 9.095 15.592 1.00 0.00 N ATOM 257 CA ASP A 407 3.898 9.730 15.470 1.00 0.00 C ATOM 258 C ASP A 407 3.156 9.262 14.228 1.00 0.00 C ATOM 259 O ASP A 407 2.977 10.012 13.279 1.00 0.00 O ATOM 260 CB ASP A 407 4.014 11.250 15.518 1.00 0.00 C ATOM 261 CG ASP A 407 2.665 11.932 15.635 1.00 0.00 C ATOM 262 OD1 ASP A 407 1.729 11.313 16.188 1.00 0.00 O ATOM 263 OD2 ASP A 407 2.547 13.090 15.180 1.00 0.00 O ATOM 0 H ASP A 407 5.318 8.600 16.474 1.00 0.00 H new ATOM 0 HA ASP A 407 3.305 9.425 16.332 1.00 0.00 H new ATOM 0 HB2 ASP A 407 4.637 11.537 16.365 1.00 0.00 H new ATOM 0 HB3 ASP A 407 4.518 11.601 14.618 1.00 0.00 H new ATOM 268 N PHE A 408 2.821 7.976 14.212 1.00 0.00 N ATOM 269 CA PHE A 408 2.037 7.391 13.145 1.00 0.00 C ATOM 270 C PHE A 408 0.823 6.766 13.780 1.00 0.00 C ATOM 271 O PHE A 408 0.933 5.958 14.703 1.00 0.00 O ATOM 272 CB PHE A 408 2.806 6.323 12.350 1.00 0.00 C ATOM 273 CG PHE A 408 3.868 6.854 11.434 1.00 0.00 C ATOM 274 CD1 PHE A 408 3.676 6.843 10.065 1.00 0.00 C ATOM 275 CD2 PHE A 408 5.050 7.359 11.934 1.00 0.00 C ATOM 276 CE1 PHE A 408 4.637 7.332 9.213 1.00 0.00 C ATOM 277 CE2 PHE A 408 6.018 7.847 11.085 1.00 0.00 C ATOM 278 CZ PHE A 408 5.808 7.835 9.724 1.00 0.00 C ATOM 0 H PHE A 408 3.088 7.315 14.941 1.00 0.00 H new ATOM 0 HA PHE A 408 1.776 8.174 12.433 1.00 0.00 H new ATOM 0 HB2 PHE A 408 3.268 5.631 13.054 1.00 0.00 H new ATOM 0 HB3 PHE A 408 2.093 5.748 11.759 1.00 0.00 H new ATOM 0 HD1 PHE A 408 2.758 6.444 9.659 1.00 0.00 H new ATOM 0 HD2 PHE A 408 5.218 7.372 13.001 1.00 0.00 H new ATOM 0 HE1 PHE A 408 4.472 7.321 8.146 1.00 0.00 H new ATOM 0 HE2 PHE A 408 6.941 8.239 11.486 1.00 0.00 H new ATOM 0 HZ PHE A 408 6.565 8.222 9.058 1.00 0.00 H new ATOM 288 N VAL A 409 -0.324 7.146 13.287 1.00 0.00 N ATOM 289 CA VAL A 409 -1.562 6.656 13.794 1.00 0.00 C ATOM 290 C VAL A 409 -1.887 5.365 13.111 1.00 0.00 C ATOM 291 O VAL A 409 -1.986 5.300 11.891 1.00 0.00 O ATOM 292 CB VAL A 409 -2.634 7.735 13.634 1.00 0.00 C ATOM 293 CG1 VAL A 409 -2.298 8.787 14.618 1.00 0.00 C ATOM 294 CG2 VAL A 409 -2.636 8.362 12.278 1.00 0.00 C ATOM 0 H VAL A 409 -0.419 7.809 12.517 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.505 6.439 14.861 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.616 7.284 13.780 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -3.030 9.592 14.554 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.311 8.363 15.622 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -1.305 9.182 14.404 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.419 9.119 12.228 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.668 8.828 12.091 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.822 7.597 11.524 1.00 0.00 H new ATOM 304 N GLU A 410 -2.006 4.330 13.913 1.00 0.00 N ATOM 305 CA GLU A 410 -2.235 3.008 13.397 1.00 0.00 C ATOM 306 C GLU A 410 -3.461 2.949 12.503 1.00 0.00 C ATOM 307 O GLU A 410 -4.563 3.341 12.889 1.00 0.00 O ATOM 308 CB GLU A 410 -2.360 1.989 14.519 1.00 0.00 C ATOM 309 CG GLU A 410 -2.107 0.570 14.043 1.00 0.00 C ATOM 310 CD GLU A 410 -0.858 -0.031 14.655 1.00 0.00 C ATOM 311 OE1 GLU A 410 -0.597 0.210 15.853 1.00 0.00 O ATOM 312 OE2 GLU A 410 -0.098 -0.709 13.931 1.00 0.00 O ATOM 0 H GLU A 410 -1.947 4.384 14.930 1.00 0.00 H new ATOM 0 HA GLU A 410 -1.364 2.757 12.791 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -1.652 2.235 15.310 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -3.358 2.051 14.953 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -2.966 -0.053 14.293 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -2.015 0.565 12.957 1.00 0.00 H new ATOM 319 N VAL A 411 -3.236 2.462 11.307 1.00 0.00 N ATOM 320 CA VAL A 411 -4.267 2.305 10.324 1.00 0.00 C ATOM 321 C VAL A 411 -4.746 0.857 10.346 1.00 0.00 C ATOM 322 O VAL A 411 -3.995 -0.069 10.006 1.00 0.00 O ATOM 323 CB VAL A 411 -3.775 2.678 8.915 1.00 0.00 C ATOM 324 CG1 VAL A 411 -4.954 2.869 7.988 1.00 0.00 C ATOM 325 CG2 VAL A 411 -2.949 3.917 8.961 1.00 0.00 C ATOM 0 H VAL A 411 -2.315 2.160 10.989 1.00 0.00 H new ATOM 0 HA VAL A 411 -5.087 2.980 10.568 1.00 0.00 H new ATOM 0 HB VAL A 411 -3.156 1.865 8.536 1.00 0.00 H new ATOM 0 HG11 VAL A 411 -4.596 3.133 6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 411 -5.528 1.944 7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 411 -5.590 3.668 8.368 1.00 0.00 H new ATOM 0 HG21 VAL A 411 -2.610 4.166 7.955 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -3.547 4.738 9.356 1.00 0.00 H new ATOM 0 HG23 VAL A 411 -2.085 3.755 9.606 1.00 0.00 H new ATOM 335 N PRO A 412 -5.989 0.655 10.791 1.00 0.00 N ATOM 336 CA PRO A 412 -6.606 -0.672 10.897 1.00 0.00 C ATOM 337 C PRO A 412 -7.006 -1.248 9.545 1.00 0.00 C ATOM 338 O PRO A 412 -6.922 -0.572 8.519 1.00 0.00 O ATOM 339 CB PRO A 412 -7.854 -0.398 11.735 1.00 0.00 C ATOM 340 CG PRO A 412 -8.212 1.005 11.398 1.00 0.00 C ATOM 341 CD PRO A 412 -6.905 1.721 11.238 1.00 0.00 C ATOM 0 HA PRO A 412 -5.922 -1.405 11.324 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -8.661 -1.087 11.486 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -7.653 -0.514 12.800 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -8.800 1.051 10.481 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -8.814 1.457 12.186 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -6.974 2.526 10.506 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -6.574 2.169 12.175 1.00 0.00 H new ATOM 349 N GLU A 413 -7.439 -2.500 9.558 1.00 0.00 N ATOM 350 CA GLU A 413 -7.876 -3.181 8.352 1.00 0.00 C ATOM 351 C GLU A 413 -9.372 -2.971 8.167 1.00 0.00 C ATOM 352 O GLU A 413 -10.092 -2.742 9.140 1.00 0.00 O ATOM 353 CB GLU A 413 -7.580 -4.678 8.452 1.00 0.00 C ATOM 354 CG GLU A 413 -6.310 -5.000 9.219 1.00 0.00 C ATOM 355 CD GLU A 413 -5.178 -5.424 8.313 1.00 0.00 C ATOM 356 OE1 GLU A 413 -4.323 -4.581 7.978 1.00 0.00 O ATOM 357 OE2 GLU A 413 -5.131 -6.611 7.936 1.00 0.00 O ATOM 0 H GLU A 413 -7.497 -3.069 10.402 1.00 0.00 H new ATOM 0 HA GLU A 413 -7.337 -2.771 7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -8.421 -5.174 8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.501 -5.092 7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -6.004 -4.125 9.792 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -6.514 -5.795 9.936 1.00 0.00 H new ATOM 364 N LYS A 414 -9.843 -3.024 6.930 1.00 0.00 N ATOM 365 CA LYS A 414 -11.261 -2.850 6.670 1.00 0.00 C ATOM 366 C LYS A 414 -11.860 -4.070 5.989 1.00 0.00 C ATOM 367 O LYS A 414 -12.900 -4.562 6.418 1.00 0.00 O ATOM 368 CB LYS A 414 -11.503 -1.599 5.834 1.00 0.00 C ATOM 369 CG LYS A 414 -11.775 -0.377 6.689 1.00 0.00 C ATOM 370 CD LYS A 414 -11.009 0.826 6.192 1.00 0.00 C ATOM 371 CE LYS A 414 -11.790 1.593 5.147 1.00 0.00 C ATOM 372 NZ LYS A 414 -11.378 3.023 5.087 1.00 0.00 N ATOM 0 H LYS A 414 -9.271 -3.184 6.101 1.00 0.00 H new ATOM 0 HA LYS A 414 -11.760 -2.731 7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 414 -10.633 -1.412 5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 414 -12.349 -1.768 5.168 1.00 0.00 H new ATOM 0 HG2 LYS A 414 -12.843 -0.158 6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 414 -11.498 -0.585 7.722 1.00 0.00 H new ATOM 0 HD2 LYS A 414 -10.780 1.484 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 414 -10.057 0.503 5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 414 -11.642 1.131 4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 414 -12.855 1.531 5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 414 -11.248 3.305 4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 414 -12.114 3.615 5.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 414 -10.484 3.149 5.603 1.00 0.00 H new ATOM 786 N VAL B 8 -0.149 -2.494 -11.077 1.00 0.00 N ATOM 787 CA VAL B 8 -0.139 -1.326 -10.215 1.00 0.00 C ATOM 788 C VAL B 8 -1.552 -0.787 -10.058 1.00 0.00 C ATOM 789 O VAL B 8 -2.120 -0.223 -10.992 1.00 0.00 O ATOM 790 CB VAL B 8 0.778 -0.215 -10.769 1.00 0.00 C ATOM 791 CG1 VAL B 8 0.967 0.884 -9.736 1.00 0.00 C ATOM 792 CG2 VAL B 8 2.121 -0.784 -11.198 1.00 0.00 C ATOM 0 HA VAL B 8 0.252 -1.634 -9.245 1.00 0.00 H new ATOM 0 HB VAL B 8 0.298 0.216 -11.647 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.616 1.659 -10.144 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.001 1.317 -9.484 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.422 0.465 -8.838 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.749 0.018 -11.585 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.610 -1.247 -10.341 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.968 -1.532 -11.976 1.00 0.00 H new ATOM 802 N LEU B 9 -2.112 -0.977 -8.876 1.00 0.00 N ATOM 803 CA LEU B 9 -3.464 -0.530 -8.586 1.00 0.00 C ATOM 804 C LEU B 9 -3.471 0.926 -8.143 1.00 0.00 C ATOM 805 O LEU B 9 -4.434 1.652 -8.382 1.00 0.00 O ATOM 806 CB LEU B 9 -4.093 -1.403 -7.496 1.00 0.00 C ATOM 807 CG LEU B 9 -4.006 -2.915 -7.727 1.00 0.00 C ATOM 808 CD1 LEU B 9 -4.643 -3.665 -6.569 1.00 0.00 C ATOM 809 CD2 LEU B 9 -4.669 -3.301 -9.043 1.00 0.00 C ATOM 0 H LEU B 9 -1.647 -1.441 -8.096 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.050 -0.620 -9.500 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.611 -1.170 -6.546 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.143 -1.128 -7.397 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.953 -3.192 -7.783 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.573 -4.738 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.122 -3.417 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.691 -3.379 -6.483 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.595 -4.379 -9.185 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.719 -3.009 -9.021 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.168 -2.791 -9.866 1.00 0.00 H new ATOM 821 N LEU B 10 -2.398 1.354 -7.490 1.00 0.00 N ATOM 822 CA LEU B 10 -2.319 2.731 -7.014 1.00 0.00 C ATOM 823 C LEU B 10 -0.962 3.350 -7.312 1.00 0.00 C ATOM 824 O LEU B 10 0.076 2.729 -7.086 1.00 0.00 O ATOM 825 CB LEU B 10 -2.595 2.781 -5.515 1.00 0.00 C ATOM 826 CG LEU B 10 -3.006 4.153 -4.981 1.00 0.00 C ATOM 827 CD1 LEU B 10 -4.421 4.505 -5.407 1.00 0.00 C ATOM 828 CD2 LEU B 10 -2.887 4.188 -3.472 1.00 0.00 C ATOM 0 H LEU B 10 -1.582 0.779 -7.280 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.075 3.311 -7.544 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.383 2.065 -5.282 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.701 2.454 -4.985 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.331 4.896 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.686 5.486 -5.013 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.479 4.523 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.114 3.759 -5.019 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.183 5.171 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.537 3.429 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -1.855 3.989 -3.184 1.00 0.00 H new ATOM 840 N ILE B 11 -0.977 4.579 -7.810 1.00 0.00 N ATOM 841 CA ILE B 11 0.251 5.289 -8.136 1.00 0.00 C ATOM 842 C ILE B 11 0.331 6.611 -7.380 1.00 0.00 C ATOM 843 O ILE B 11 -0.431 7.538 -7.650 1.00 0.00 O ATOM 844 CB ILE B 11 0.368 5.571 -9.653 1.00 0.00 C ATOM 845 CG1 ILE B 11 0.364 4.261 -10.445 1.00 0.00 C ATOM 846 CG2 ILE B 11 1.632 6.370 -9.951 1.00 0.00 C ATOM 847 CD1 ILE B 11 0.439 4.454 -11.944 1.00 0.00 C ATOM 0 H ILE B 11 -1.830 5.106 -7.997 1.00 0.00 H new ATOM 0 HA ILE B 11 1.075 4.642 -7.836 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.495 6.162 -9.960 1.00 0.00 H new ATOM 0 HG12 ILE B 11 1.208 3.650 -10.124 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.542 3.704 -10.204 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.699 6.559 -11.022 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.597 7.319 -9.416 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.505 5.803 -9.628 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.432 3.482 -12.437 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.419 5.037 -12.279 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.358 4.982 -12.197 1.00 0.00 H new ATOM 859 N VAL B 12 1.241 6.677 -6.423 1.00 0.00 N ATOM 860 CA VAL B 12 1.454 7.884 -5.636 1.00 0.00 C ATOM 861 C VAL B 12 2.813 8.467 -5.993 1.00 0.00 C ATOM 862 O VAL B 12 3.819 7.754 -5.986 1.00 0.00 O ATOM 863 CB VAL B 12 1.391 7.590 -4.125 1.00 0.00 C ATOM 864 CG1 VAL B 12 1.652 8.850 -3.317 1.00 0.00 C ATOM 865 CG2 VAL B 12 0.041 6.996 -3.762 1.00 0.00 C ATOM 0 H VAL B 12 1.851 5.900 -6.169 1.00 0.00 H new ATOM 0 HA VAL B 12 0.663 8.597 -5.867 1.00 0.00 H new ATOM 0 HB VAL B 12 2.169 6.866 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.602 8.617 -2.253 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.642 9.238 -3.558 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.899 9.600 -3.560 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.009 6.793 -2.692 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.748 7.701 -4.021 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.108 6.067 -4.312 1.00 0.00 H new ATOM 875 N LYS B 13 2.852 9.750 -6.310 1.00 0.00 N ATOM 876 CA LYS B 13 4.099 10.385 -6.702 1.00 0.00 C ATOM 877 C LYS B 13 4.736 11.144 -5.547 1.00 0.00 C ATOM 878 O LYS B 13 4.100 11.391 -4.527 1.00 0.00 O ATOM 879 CB LYS B 13 3.876 11.315 -7.895 1.00 0.00 C ATOM 880 CG LYS B 13 4.039 10.618 -9.239 1.00 0.00 C ATOM 881 CD LYS B 13 5.375 9.895 -9.324 1.00 0.00 C ATOM 882 CE LYS B 13 5.564 9.186 -10.657 1.00 0.00 C ATOM 883 NZ LYS B 13 6.880 8.496 -10.730 1.00 0.00 N ATOM 0 H LYS B 13 2.041 10.369 -6.304 1.00 0.00 H new ATOM 0 HA LYS B 13 4.790 9.594 -6.995 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.874 11.741 -7.833 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.580 12.146 -7.836 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.227 9.905 -9.383 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.967 11.351 -10.043 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.183 10.612 -9.178 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.444 9.168 -8.515 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.764 8.460 -10.800 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.487 9.910 -11.469 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 7.276 8.604 -11.686 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.531 8.916 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.754 7.485 -10.519 1.00 0.00 H new ATOM 897 N LYS B 14 6.004 11.506 -5.743 1.00 0.00 N ATOM 898 CA LYS B 14 6.791 12.231 -4.756 1.00 0.00 C ATOM 899 C LYS B 14 6.698 11.600 -3.370 1.00 0.00 C ATOM 900 O LYS B 14 6.212 12.210 -2.423 1.00 0.00 O ATOM 901 CB LYS B 14 6.352 13.688 -4.726 1.00 0.00 C ATOM 902 CG LYS B 14 7.128 14.573 -5.685 1.00 0.00 C ATOM 903 CD LYS B 14 6.627 16.007 -5.654 1.00 0.00 C ATOM 904 CE LYS B 14 7.726 16.974 -5.237 1.00 0.00 C ATOM 905 NZ LYS B 14 7.979 16.934 -3.773 1.00 0.00 N ATOM 0 H LYS B 14 6.515 11.300 -6.601 1.00 0.00 H new ATOM 0 HA LYS B 14 7.839 12.177 -5.051 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.291 13.745 -4.969 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.468 14.074 -3.713 1.00 0.00 H new ATOM 0 HG2 LYS B 14 8.186 14.551 -5.425 1.00 0.00 H new ATOM 0 HG3 LYS B 14 7.040 14.178 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.252 16.284 -6.639 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.790 16.086 -4.961 1.00 0.00 H new ATOM 0 HE2 LYS B 14 8.645 16.730 -5.770 1.00 0.00 H new ATOM 0 HE3 LYS B 14 7.448 17.987 -5.529 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 8.040 17.905 -3.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 7.201 16.432 -3.300 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 8.874 16.437 -3.589 1.00 0.00 H new ATOM 919 N VAL B 15 7.183 10.375 -3.262 1.00 0.00 N ATOM 920 CA VAL B 15 7.185 9.655 -1.999 1.00 0.00 C ATOM 921 C VAL B 15 8.624 9.425 -1.570 1.00 0.00 C ATOM 922 O VAL B 15 9.410 8.838 -2.312 1.00 0.00 O ATOM 923 CB VAL B 15 6.448 8.304 -2.103 1.00 0.00 C ATOM 924 CG1 VAL B 15 6.527 7.535 -0.791 1.00 0.00 C ATOM 925 CG2 VAL B 15 5.000 8.526 -2.498 1.00 0.00 C ATOM 0 H VAL B 15 7.584 9.854 -4.042 1.00 0.00 H new ATOM 0 HA VAL B 15 6.656 10.256 -1.260 1.00 0.00 H new ATOM 0 HB VAL B 15 6.937 7.708 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.999 6.587 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.571 7.344 -0.543 1.00 0.00 H new ATOM 0 HG13 VAL B 15 6.067 8.123 0.003 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.491 7.565 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.508 9.143 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL B 15 4.959 9.029 -3.464 1.00 0.00 H new ATOM 935 N ARG B 16 8.967 9.887 -0.385 1.00 0.00 N ATOM 936 CA ARG B 16 10.323 9.760 0.108 1.00 0.00 C ATOM 937 C ARG B 16 10.488 8.625 1.100 1.00 0.00 C ATOM 938 O ARG B 16 9.656 8.414 1.985 1.00 0.00 O ATOM 939 CB ARG B 16 10.776 11.064 0.757 1.00 0.00 C ATOM 940 CG ARG B 16 11.177 12.125 -0.244 1.00 0.00 C ATOM 941 CD ARG B 16 11.604 13.407 0.444 1.00 0.00 C ATOM 942 NE ARG B 16 11.837 14.472 -0.524 1.00 0.00 N ATOM 943 CZ ARG B 16 11.536 15.746 -0.328 1.00 0.00 C ATOM 944 NH1 ARG B 16 11.017 16.146 0.831 1.00 0.00 N ATOM 945 NH2 ARG B 16 11.760 16.618 -1.302 1.00 0.00 N ATOM 0 H ARG B 16 8.325 10.354 0.255 1.00 0.00 H new ATOM 0 HA ARG B 16 10.944 9.533 -0.758 1.00 0.00 H new ATOM 0 HB2 ARG B 16 9.970 11.450 1.381 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.620 10.859 1.416 1.00 0.00 H new ATOM 0 HG2 ARG B 16 11.994 11.753 -0.862 1.00 0.00 H new ATOM 0 HG3 ARG B 16 10.341 12.331 -0.912 1.00 0.00 H new ATOM 0 HD2 ARG B 16 10.835 13.717 1.151 1.00 0.00 H new ATOM 0 HD3 ARG B 16 12.513 13.229 1.019 1.00 0.00 H new ATOM 0 HE ARG B 16 12.262 14.217 -1.416 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.849 15.469 1.575 1.00 0.00 H new ATOM 0 HH12 ARG B 16 10.788 17.129 0.975 1.00 0.00 H new ATOM 0 HH21 ARG B 16 12.159 16.303 -2.187 1.00 0.00 H new ATOM 0 HH22 ARG B 16 11.533 17.603 -1.167 1.00 0.00 H new ATOM 959 N GLN B 17 11.561 7.883 0.914 1.00 0.00 N ATOM 960 CA GLN B 17 11.921 6.803 1.803 1.00 0.00 C ATOM 961 C GLN B 17 13.268 7.157 2.408 1.00 0.00 C ATOM 962 O GLN B 17 14.296 7.018 1.750 1.00 0.00 O ATOM 963 CB GLN B 17 12.005 5.483 1.033 1.00 0.00 C ATOM 964 CG GLN B 17 11.376 4.309 1.759 1.00 0.00 C ATOM 965 CD GLN B 17 12.255 3.757 2.862 1.00 0.00 C ATOM 966 OE1 GLN B 17 13.480 3.772 2.768 1.00 0.00 O ATOM 967 NE2 GLN B 17 11.633 3.276 3.922 1.00 0.00 N ATOM 0 H GLN B 17 12.209 8.015 0.138 1.00 0.00 H new ATOM 0 HA GLN B 17 11.171 6.675 2.583 1.00 0.00 H new ATOM 0 HB2 GLN B 17 11.515 5.605 0.067 1.00 0.00 H new ATOM 0 HB3 GLN B 17 13.052 5.256 0.833 1.00 0.00 H new ATOM 0 HG2 GLN B 17 10.422 4.620 2.184 1.00 0.00 H new ATOM 0 HG3 GLN B 17 11.162 3.517 1.041 1.00 0.00 H new ATOM 0 HE21 GLN B 17 10.614 3.282 3.961 1.00 0.00 H new ATOM 0 HE22 GLN B 17 12.172 2.899 4.702 1.00 0.00 H new ATOM 976 N LYS B 18 13.252 7.615 3.655 1.00 0.00 N ATOM 977 CA LYS B 18 14.461 8.042 4.344 1.00 0.00 C ATOM 978 C LYS B 18 15.264 9.030 3.492 1.00 0.00 C ATOM 979 O LYS B 18 16.420 8.788 3.143 1.00 0.00 O ATOM 980 CB LYS B 18 15.291 6.834 4.752 1.00 0.00 C ATOM 981 CG LYS B 18 14.955 6.319 6.143 1.00 0.00 C ATOM 982 CD LYS B 18 15.333 7.333 7.216 1.00 0.00 C ATOM 983 CE LYS B 18 14.549 7.115 8.501 1.00 0.00 C ATOM 984 NZ LYS B 18 14.863 8.135 9.539 1.00 0.00 N ATOM 0 H LYS B 18 12.403 7.700 4.214 1.00 0.00 H new ATOM 0 HA LYS B 18 14.175 8.571 5.253 1.00 0.00 H new ATOM 0 HB2 LYS B 18 15.137 6.034 4.028 1.00 0.00 H new ATOM 0 HB3 LYS B 18 16.348 7.098 4.715 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.889 6.102 6.205 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.482 5.382 6.323 1.00 0.00 H new ATOM 0 HD2 LYS B 18 16.400 7.260 7.425 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.149 8.341 6.844 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.482 7.142 8.281 1.00 0.00 H new ATOM 0 HE3 LYS B 18 14.769 6.122 8.893 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 14.604 7.767 10.477 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 15.881 8.348 9.520 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 14.324 9.003 9.347 1.00 0.00 H new ATOM 998 N LYS B 19 14.601 10.139 3.161 1.00 0.00 N ATOM 999 CA LYS B 19 15.160 11.230 2.378 1.00 0.00 C ATOM 1000 C LYS B 19 15.486 10.866 0.931 1.00 0.00 C ATOM 1001 O LYS B 19 16.326 11.506 0.300 1.00 0.00 O ATOM 1002 CB LYS B 19 16.370 11.787 3.093 1.00 0.00 C ATOM 1003 CG LYS B 19 16.026 12.923 4.036 1.00 0.00 C ATOM 1004 CD LYS B 19 15.582 14.165 3.278 1.00 0.00 C ATOM 1005 CE LYS B 19 16.610 15.267 3.394 1.00 0.00 C ATOM 1006 NZ LYS B 19 17.965 14.851 2.953 1.00 0.00 N ATOM 0 H LYS B 19 13.634 10.303 3.440 1.00 0.00 H new ATOM 0 HA LYS B 19 14.385 11.993 2.299 1.00 0.00 H new ATOM 0 HB2 LYS B 19 16.853 10.988 3.655 1.00 0.00 H new ATOM 0 HB3 LYS B 19 17.091 12.139 2.356 1.00 0.00 H new ATOM 0 HG2 LYS B 19 15.233 12.607 4.714 1.00 0.00 H new ATOM 0 HG3 LYS B 19 16.894 13.162 4.651 1.00 0.00 H new ATOM 0 HD2 LYS B 19 15.425 13.918 2.228 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.626 14.512 3.670 1.00 0.00 H new ATOM 0 HE2 LYS B 19 16.287 16.121 2.798 1.00 0.00 H new ATOM 0 HE3 LYS B 19 16.659 15.602 4.430 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 18.515 15.691 2.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 18.447 14.357 3.731 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 17.883 14.213 2.135 1.00 0.00 H new ATOM 1020 N GLN B 20 14.815 9.857 0.402 1.00 0.00 N ATOM 1021 CA GLN B 20 15.011 9.473 -0.989 1.00 0.00 C ATOM 1022 C GLN B 20 13.746 9.795 -1.767 1.00 0.00 C ATOM 1023 O GLN B 20 12.692 9.224 -1.497 1.00 0.00 O ATOM 1024 CB GLN B 20 15.334 7.982 -1.111 1.00 0.00 C ATOM 1025 CG GLN B 20 16.637 7.576 -0.445 1.00 0.00 C ATOM 1026 CD GLN B 20 16.832 6.073 -0.427 1.00 0.00 C ATOM 1027 OE1 GLN B 20 17.445 5.501 -1.327 1.00 0.00 O ATOM 1028 NE2 GLN B 20 16.293 5.423 0.590 1.00 0.00 N ATOM 0 H GLN B 20 14.134 9.291 0.909 1.00 0.00 H new ATOM 0 HA GLN B 20 15.855 10.030 -1.395 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.519 7.407 -0.672 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.379 7.716 -2.167 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.471 8.042 -0.970 1.00 0.00 H new ATOM 0 HG3 GLN B 20 16.653 7.954 0.577 1.00 0.00 H new ATOM 0 HE21 GLN B 20 15.793 5.936 1.316 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.378 4.408 0.649 1.00 0.00 H new ATOM 1037 N ASP B 21 13.848 10.703 -2.731 1.00 0.00 N ATOM 1038 CA ASP B 21 12.689 11.103 -3.527 1.00 0.00 C ATOM 1039 C ASP B 21 12.333 10.037 -4.555 1.00 0.00 C ATOM 1040 O ASP B 21 13.169 9.632 -5.369 1.00 0.00 O ATOM 1041 CB ASP B 21 12.944 12.446 -4.224 1.00 0.00 C ATOM 1042 CG ASP B 21 12.065 13.563 -3.683 1.00 0.00 C ATOM 1043 OD1 ASP B 21 10.832 13.500 -3.866 1.00 0.00 O ATOM 1044 OD2 ASP B 21 12.607 14.508 -3.065 1.00 0.00 O ATOM 0 H ASP B 21 14.717 11.176 -2.981 1.00 0.00 H new ATOM 0 HA ASP B 21 11.845 11.217 -2.847 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.991 12.721 -4.101 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.767 12.335 -5.294 1.00 0.00 H new ATOM 1049 N GLY B 22 11.095 9.575 -4.503 1.00 0.00 N ATOM 1050 CA GLY B 22 10.643 8.560 -5.427 1.00 0.00 C ATOM 1051 C GLY B 22 9.137 8.523 -5.543 1.00 0.00 C ATOM 1052 O GLY B 22 8.477 9.559 -5.477 1.00 0.00 O ATOM 0 H GLY B 22 10.392 9.887 -3.833 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.077 8.746 -6.409 1.00 0.00 H new ATOM 0 HA3 GLY B 22 11.004 7.585 -5.099 1.00 0.00 H new ATOM 1056 N ALA B 23 8.589 7.333 -5.711 1.00 0.00 N ATOM 1057 CA ALA B 23 7.154 7.163 -5.835 1.00 0.00 C ATOM 1058 C ALA B 23 6.723 5.814 -5.281 1.00 0.00 C ATOM 1059 O ALA B 23 7.464 4.832 -5.363 1.00 0.00 O ATOM 1060 CB ALA B 23 6.731 7.304 -7.288 1.00 0.00 C ATOM 0 H ALA B 23 9.121 6.465 -5.765 1.00 0.00 H new ATOM 0 HA ALA B 23 6.662 7.942 -5.253 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.652 7.174 -7.367 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.005 8.294 -7.652 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.233 6.545 -7.888 1.00 0.00 H new ATOM 1066 N LEU B 24 5.527 5.775 -4.722 1.00 0.00 N ATOM 1067 CA LEU B 24 4.990 4.555 -4.149 1.00 0.00 C ATOM 1068 C LEU B 24 3.935 3.971 -5.072 1.00 0.00 C ATOM 1069 O LEU B 24 3.007 4.663 -5.493 1.00 0.00 O ATOM 1070 CB LEU B 24 4.393 4.829 -2.772 1.00 0.00 C ATOM 1071 CG LEU B 24 4.039 3.578 -1.973 1.00 0.00 C ATOM 1072 CD1 LEU B 24 5.285 2.958 -1.362 1.00 0.00 C ATOM 1073 CD2 LEU B 24 3.017 3.904 -0.898 1.00 0.00 C ATOM 0 H LEU B 24 4.906 6.581 -4.653 1.00 0.00 H new ATOM 0 HA LEU B 24 5.801 3.835 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU B 24 5.101 5.424 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.494 5.433 -2.894 1.00 0.00 H new ATOM 0 HG LEU B 24 3.599 2.850 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU B 24 5.009 2.068 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU B 24 5.981 2.683 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU B 24 5.760 3.678 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.777 3.000 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.428 4.652 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU B 24 2.112 4.294 -1.363 1.00 0.00 H new ATOM 1085 N TYR B 25 4.085 2.699 -5.390 1.00 0.00 N ATOM 1086 CA TYR B 25 3.157 2.024 -6.276 1.00 0.00 C ATOM 1087 C TYR B 25 2.503 0.838 -5.578 1.00 0.00 C ATOM 1088 O TYR B 25 3.171 -0.142 -5.238 1.00 0.00 O ATOM 1089 CB TYR B 25 3.887 1.548 -7.538 1.00 0.00 C ATOM 1090 CG TYR B 25 4.664 2.638 -8.253 1.00 0.00 C ATOM 1091 CD1 TYR B 25 4.038 3.482 -9.163 1.00 0.00 C ATOM 1092 CD2 TYR B 25 6.021 2.819 -8.021 1.00 0.00 C ATOM 1093 CE1 TYR B 25 4.744 4.475 -9.820 1.00 0.00 C ATOM 1094 CE2 TYR B 25 6.733 3.809 -8.673 1.00 0.00 C ATOM 1095 CZ TYR B 25 6.091 4.634 -9.572 1.00 0.00 C ATOM 1096 OH TYR B 25 6.801 5.621 -10.224 1.00 0.00 O ATOM 0 H TYR B 25 4.844 2.111 -5.046 1.00 0.00 H new ATOM 0 HA TYR B 25 2.377 2.732 -6.556 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.573 0.746 -7.267 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.158 1.124 -8.228 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.983 3.361 -9.361 1.00 0.00 H new ATOM 0 HD2 TYR B 25 6.529 2.175 -7.319 1.00 0.00 H new ATOM 0 HE1 TYR B 25 4.242 5.122 -10.524 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.788 3.935 -8.479 1.00 0.00 H new ATOM 0 HH TYR B 25 7.737 5.597 -9.934 1.00 0.00 H new ATOM 1106 N LEU B 26 1.200 0.935 -5.343 1.00 0.00 N ATOM 1107 CA LEU B 26 0.470 -0.154 -4.714 1.00 0.00 C ATOM 1108 C LEU B 26 0.173 -1.195 -5.770 1.00 0.00 C ATOM 1109 O LEU B 26 -0.371 -0.875 -6.825 1.00 0.00 O ATOM 1110 CB LEU B 26 -0.835 0.320 -4.070 1.00 0.00 C ATOM 1111 CG LEU B 26 -0.675 1.264 -2.880 1.00 0.00 C ATOM 1112 CD1 LEU B 26 -1.889 1.185 -1.970 1.00 0.00 C ATOM 1113 CD2 LEU B 26 0.585 0.946 -2.105 1.00 0.00 C ATOM 0 H LEU B 26 0.633 1.750 -5.577 1.00 0.00 H new ATOM 0 HA LEU B 26 1.085 -0.570 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.435 0.820 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.398 -0.555 -3.745 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.593 2.281 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.757 1.864 -1.128 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.781 1.468 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.001 0.166 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.677 1.632 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.536 -0.078 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.451 1.055 -2.758 1.00 0.00 H new ATOM 1125 N MET B 27 0.526 -2.432 -5.498 1.00 0.00 N ATOM 1126 CA MET B 27 0.326 -3.489 -6.463 1.00 0.00 C ATOM 1127 C MET B 27 -0.725 -4.470 -5.974 1.00 0.00 C ATOM 1128 O MET B 27 -1.073 -4.480 -4.793 1.00 0.00 O ATOM 1129 CB MET B 27 1.635 -4.214 -6.722 1.00 0.00 C ATOM 1130 CG MET B 27 2.865 -3.343 -6.530 1.00 0.00 C ATOM 1131 SD MET B 27 4.327 -4.016 -7.327 1.00 0.00 S ATOM 1132 CE MET B 27 4.258 -3.126 -8.872 1.00 0.00 C ATOM 0 H MET B 27 0.951 -2.729 -4.620 1.00 0.00 H new ATOM 0 HA MET B 27 -0.024 -3.043 -7.394 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.702 -5.074 -6.055 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.630 -4.601 -7.741 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.666 -2.348 -6.928 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.059 -3.227 -5.464 1.00 0.00 H new ATOM 0 HE1 MET B 27 5.099 -3.421 -9.500 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.324 -3.358 -9.384 1.00 0.00 H new ATOM 0 HE3 MET B 27 4.309 -2.055 -8.677 1.00 0.00 H new ATOM 1142 N ALA B 28 -1.190 -5.305 -6.891 1.00 0.00 N ATOM 1143 CA ALA B 28 -2.226 -6.298 -6.620 1.00 0.00 C ATOM 1144 C ALA B 28 -2.022 -7.069 -5.312 1.00 0.00 C ATOM 1145 O ALA B 28 -2.919 -7.113 -4.475 1.00 0.00 O ATOM 1146 CB ALA B 28 -2.314 -7.268 -7.787 1.00 0.00 C ATOM 0 H ALA B 28 -0.857 -5.315 -7.855 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.160 -5.749 -6.502 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.087 -8.010 -7.586 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.563 -6.721 -8.696 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.355 -7.769 -7.916 1.00 0.00 H new ATOM 1152 N GLU B 29 -0.848 -7.661 -5.125 1.00 0.00 N ATOM 1153 CA GLU B 29 -0.595 -8.456 -3.927 1.00 0.00 C ATOM 1154 C GLU B 29 0.524 -7.868 -3.074 1.00 0.00 C ATOM 1155 O GLU B 29 0.962 -8.497 -2.106 1.00 0.00 O ATOM 1156 CB GLU B 29 -0.178 -9.875 -4.322 1.00 0.00 C ATOM 1157 CG GLU B 29 -0.741 -10.341 -5.654 1.00 0.00 C ATOM 1158 CD GLU B 29 0.210 -10.032 -6.797 1.00 0.00 C ATOM 1159 OE1 GLU B 29 0.947 -9.021 -6.711 1.00 0.00 O ATOM 1160 OE2 GLU B 29 0.252 -10.801 -7.771 1.00 0.00 O ATOM 0 H GLU B 29 -0.065 -7.608 -5.777 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.520 -8.460 -3.350 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.910 -9.924 -4.363 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.499 -10.566 -3.543 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.929 -11.414 -5.616 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -1.700 -9.855 -5.835 1.00 0.00 H new ATOM 1167 N ARG B 30 0.981 -6.664 -3.391 1.00 0.00 N ATOM 1168 CA ARG B 30 2.093 -6.098 -2.639 1.00 0.00 C ATOM 1169 C ARG B 30 2.195 -4.591 -2.791 1.00 0.00 C ATOM 1170 O ARG B 30 1.490 -3.985 -3.583 1.00 0.00 O ATOM 1171 CB ARG B 30 3.403 -6.742 -3.107 1.00 0.00 C ATOM 1172 CG ARG B 30 3.761 -6.429 -4.555 1.00 0.00 C ATOM 1173 CD ARG B 30 4.557 -7.556 -5.190 1.00 0.00 C ATOM 1174 NE ARG B 30 3.691 -8.569 -5.799 1.00 0.00 N ATOM 1175 CZ ARG B 30 4.124 -9.735 -6.273 1.00 0.00 C ATOM 1176 NH1 ARG B 30 5.402 -10.076 -6.149 1.00 0.00 N ATOM 1177 NH2 ARG B 30 3.271 -10.563 -6.865 1.00 0.00 N ATOM 0 H ARG B 30 0.614 -6.076 -4.139 1.00 0.00 H new ATOM 0 HA ARG B 30 1.912 -6.309 -1.585 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.214 -6.404 -2.461 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.329 -7.823 -2.987 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.849 -6.259 -5.127 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.339 -5.506 -4.596 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.223 -7.146 -5.949 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.186 -8.025 -4.434 1.00 0.00 H new ATOM 0 HE ARG B 30 2.693 -8.368 -5.864 1.00 0.00 H new ATOM 0 HH11 ARG B 30 6.056 -9.443 -5.689 1.00 0.00 H new ATOM 0 HH12 ARG B 30 5.729 -10.971 -6.514 1.00 0.00 H new ATOM 0 HH21 ARG B 30 2.288 -10.304 -6.955 1.00 0.00 H new ATOM 0 HH22 ARG B 30 3.598 -11.458 -7.230 1.00 0.00 H new ATOM 1191 N ILE B 31 3.081 -4.004 -2.011 1.00 0.00 N ATOM 1192 CA ILE B 31 3.330 -2.578 -2.056 1.00 0.00 C ATOM 1193 C ILE B 31 4.812 -2.357 -2.326 1.00 0.00 C ATOM 1194 O ILE B 31 5.667 -2.908 -1.628 1.00 0.00 O ATOM 1195 CB ILE B 31 2.908 -1.871 -0.743 1.00 0.00 C ATOM 1196 CG1 ILE B 31 3.440 -0.434 -0.703 1.00 0.00 C ATOM 1197 CG2 ILE B 31 3.388 -2.653 0.471 1.00 0.00 C ATOM 1198 CD1 ILE B 31 2.970 0.356 0.500 1.00 0.00 C ATOM 0 H ILE B 31 3.649 -4.504 -1.327 1.00 0.00 H new ATOM 0 HA ILE B 31 2.728 -2.142 -2.853 1.00 0.00 H new ATOM 0 HB ILE B 31 1.819 -1.833 -0.716 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.530 -0.459 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.130 0.084 -1.610 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.080 -2.138 1.381 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.953 -3.652 0.455 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.475 -2.730 0.448 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.387 1.362 0.460 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.882 0.413 0.495 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.303 -0.138 1.413 1.00 0.00 H new ATOM 1210 N ALA B 32 5.124 -1.582 -3.348 1.00 0.00 N ATOM 1211 CA ALA B 32 6.508 -1.340 -3.692 1.00 0.00 C ATOM 1212 C ALA B 32 6.801 0.140 -3.868 1.00 0.00 C ATOM 1213 O ALA B 32 5.929 0.925 -4.245 1.00 0.00 O ATOM 1214 CB ALA B 32 6.875 -2.113 -4.946 1.00 0.00 C ATOM 0 H ALA B 32 4.444 -1.115 -3.948 1.00 0.00 H new ATOM 0 HA ALA B 32 7.123 -1.691 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.919 -1.925 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.731 -3.179 -4.772 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.239 -1.791 -5.771 1.00 0.00 H new ATOM 1220 N TRP B 33 8.036 0.508 -3.582 1.00 0.00 N ATOM 1221 CA TRP B 33 8.484 1.881 -3.705 1.00 0.00 C ATOM 1222 C TRP B 33 9.721 1.935 -4.589 1.00 0.00 C ATOM 1223 O TRP B 33 10.615 1.092 -4.472 1.00 0.00 O ATOM 1224 CB TRP B 33 8.795 2.477 -2.326 1.00 0.00 C ATOM 1225 CG TRP B 33 9.361 3.864 -2.391 1.00 0.00 C ATOM 1226 CD1 TRP B 33 8.663 5.033 -2.487 1.00 0.00 C ATOM 1227 CD2 TRP B 33 10.747 4.227 -2.375 1.00 0.00 C ATOM 1228 NE1 TRP B 33 9.530 6.097 -2.546 1.00 0.00 N ATOM 1229 CE2 TRP B 33 10.814 5.629 -2.476 1.00 0.00 C ATOM 1230 CE3 TRP B 33 11.938 3.502 -2.287 1.00 0.00 C ATOM 1231 CZ2 TRP B 33 12.023 6.317 -2.496 1.00 0.00 C ATOM 1232 CZ3 TRP B 33 13.137 4.187 -2.304 1.00 0.00 C ATOM 1233 CH2 TRP B 33 13.173 5.582 -2.407 1.00 0.00 C ATOM 0 H TRP B 33 8.756 -0.137 -3.258 1.00 0.00 H new ATOM 0 HA TRP B 33 7.688 2.471 -4.159 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.882 2.493 -1.731 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.502 1.828 -1.809 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.586 5.110 -2.513 1.00 0.00 H new ATOM 0 HE1 TRP B 33 9.260 7.077 -2.629 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.921 2.425 -2.207 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 12.052 7.393 -2.579 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 14.063 3.636 -2.237 1.00 0.00 H new ATOM 0 HH2 TRP B 33 14.127 6.088 -2.416 1.00 0.00 H new ATOM 1244 N ALA B 34 9.765 2.919 -5.468 1.00 0.00 N ATOM 1245 CA ALA B 34 10.889 3.090 -6.367 1.00 0.00 C ATOM 1246 C ALA B 34 11.248 4.562 -6.474 1.00 0.00 C ATOM 1247 O ALA B 34 10.360 5.412 -6.516 1.00 0.00 O ATOM 1248 CB ALA B 34 10.559 2.531 -7.741 1.00 0.00 C ATOM 0 H ALA B 34 9.029 3.616 -5.578 1.00 0.00 H new ATOM 0 HA ALA B 34 11.743 2.544 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.413 2.667 -8.404 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.331 1.468 -7.656 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.695 3.056 -8.149 1.00 0.00 H new ATOM 1254 N PRO B 35 12.548 4.891 -6.484 1.00 0.00 N ATOM 1255 CA PRO B 35 12.995 6.274 -6.611 1.00 0.00 C ATOM 1256 C PRO B 35 12.562 6.851 -7.956 1.00 0.00 C ATOM 1257 O PRO B 35 12.428 6.115 -8.938 1.00 0.00 O ATOM 1258 CB PRO B 35 14.522 6.187 -6.503 1.00 0.00 C ATOM 1259 CG PRO B 35 14.797 4.843 -5.918 1.00 0.00 C ATOM 1260 CD PRO B 35 13.675 3.956 -6.371 1.00 0.00 C ATOM 0 HA PRO B 35 12.570 6.931 -5.852 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.993 6.295 -7.480 1.00 0.00 H new ATOM 0 HB3 PRO B 35 14.918 6.981 -5.869 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.759 4.459 -6.258 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.840 4.893 -4.830 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.899 3.475 -7.323 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.472 3.162 -5.653 1.00 0.00 H new ATOM 1368 N THR B 42 12.940 -0.487 -5.249 1.00 0.00 N ATOM 1369 CA THR B 42 13.962 -0.812 -4.268 1.00 0.00 C ATOM 1370 C THR B 42 13.330 -1.393 -3.006 1.00 0.00 C ATOM 1371 O THR B 42 13.968 -2.127 -2.252 1.00 0.00 O ATOM 1372 CB THR B 42 14.782 0.436 -3.905 1.00 0.00 C ATOM 1373 OG1 THR B 42 13.961 1.605 -4.038 1.00 0.00 O ATOM 1374 CG2 THR B 42 16.005 0.566 -4.802 1.00 0.00 C ATOM 0 HA THR B 42 14.625 -1.556 -4.709 1.00 0.00 H new ATOM 0 HB THR B 42 15.122 0.337 -2.874 1.00 0.00 H new ATOM 0 HG1 THR B 42 13.157 1.383 -4.553 1.00 0.00 H new ATOM 0 HG21 THR B 42 16.567 1.457 -4.524 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.638 -0.314 -4.684 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.687 0.648 -5.841 1.00 0.00 H new ATOM 1382 N ILE B 43 12.069 -1.053 -2.787 1.00 0.00 N ATOM 1383 CA ILE B 43 11.328 -1.536 -1.634 1.00 0.00 C ATOM 1384 C ILE B 43 10.147 -2.370 -2.106 1.00 0.00 C ATOM 1385 O ILE B 43 9.336 -1.896 -2.895 1.00 0.00 O ATOM 1386 CB ILE B 43 10.808 -0.370 -0.762 1.00 0.00 C ATOM 1387 CG1 ILE B 43 11.974 0.455 -0.206 1.00 0.00 C ATOM 1388 CG2 ILE B 43 9.933 -0.890 0.372 1.00 0.00 C ATOM 1389 CD1 ILE B 43 12.811 -0.282 0.818 1.00 0.00 C ATOM 0 H ILE B 43 11.534 -0.438 -3.400 1.00 0.00 H new ATOM 0 HA ILE B 43 12.004 -2.140 -1.029 1.00 0.00 H new ATOM 0 HB ILE B 43 10.200 0.278 -1.393 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.615 0.763 -1.032 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.580 1.364 0.247 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.579 -0.052 0.972 1.00 0.00 H new ATOM 0 HG22 ILE B 43 9.079 -1.425 -0.043 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.514 -1.565 1.000 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.616 0.366 1.165 1.00 0.00 H new ATOM 0 HD12 ILE B 43 12.184 -0.566 1.663 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.236 -1.177 0.364 1.00 0.00 H new ATOM 1401 N SER B 44 10.060 -3.605 -1.640 1.00 0.00 N ATOM 1402 CA SER B 44 8.970 -4.485 -2.027 1.00 0.00 C ATOM 1403 C SER B 44 8.466 -5.270 -0.822 1.00 0.00 C ATOM 1404 O SER B 44 9.193 -6.081 -0.251 1.00 0.00 O ATOM 1405 CB SER B 44 9.428 -5.443 -3.133 1.00 0.00 C ATOM 1406 OG SER B 44 8.381 -6.315 -3.529 1.00 0.00 O ATOM 0 H SER B 44 10.731 -4.021 -0.994 1.00 0.00 H new ATOM 0 HA SER B 44 8.151 -3.876 -2.410 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.771 -4.870 -3.994 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.277 -6.028 -2.781 1.00 0.00 H new ATOM 0 HG SER B 44 8.703 -6.912 -4.236 1.00 0.00 H new ATOM 1412 N HIS B 45 7.229 -5.009 -0.435 1.00 0.00 N ATOM 1413 CA HIS B 45 6.616 -5.695 0.694 1.00 0.00 C ATOM 1414 C HIS B 45 5.289 -6.284 0.286 1.00 0.00 C ATOM 1415 O HIS B 45 4.465 -5.609 -0.328 1.00 0.00 O ATOM 1416 CB HIS B 45 6.399 -4.738 1.869 1.00 0.00 C ATOM 1417 CG HIS B 45 7.643 -4.398 2.626 1.00 0.00 C ATOM 1418 ND1 HIS B 45 8.349 -5.295 3.391 1.00 0.00 N ATOM 1419 CD2 HIS B 45 8.294 -3.217 2.737 1.00 0.00 C ATOM 1420 CE1 HIS B 45 9.382 -4.644 3.939 1.00 0.00 C ATOM 1421 NE2 HIS B 45 9.396 -3.378 3.571 1.00 0.00 N ATOM 0 H HIS B 45 6.625 -4.323 -0.888 1.00 0.00 H new ATOM 0 HA HIS B 45 7.293 -6.490 1.007 1.00 0.00 H new ATOM 0 HB2 HIS B 45 5.953 -3.817 1.494 1.00 0.00 H new ATOM 0 HB3 HIS B 45 5.680 -5.183 2.557 1.00 0.00 H new ATOM 0 HD1 HIS B 45 8.125 -6.282 3.519 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.004 -2.295 2.255 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.109 -5.097 4.597 1.00 0.00 H new ATOM 1429 N MET B 46 5.080 -7.542 0.611 1.00 0.00 N ATOM 1430 CA MET B 46 3.833 -8.189 0.287 1.00 0.00 C ATOM 1431 C MET B 46 2.848 -7.901 1.400 1.00 0.00 C ATOM 1432 O MET B 46 3.238 -7.740 2.555 1.00 0.00 O ATOM 1433 CB MET B 46 4.012 -9.702 0.127 1.00 0.00 C ATOM 1434 CG MET B 46 5.159 -10.102 -0.787 1.00 0.00 C ATOM 1435 SD MET B 46 4.758 -9.922 -2.538 1.00 0.00 S ATOM 1436 CE MET B 46 3.395 -11.075 -2.695 1.00 0.00 C ATOM 0 H MET B 46 5.756 -8.132 1.097 1.00 0.00 H new ATOM 0 HA MET B 46 3.465 -7.802 -0.663 1.00 0.00 H new ATOM 0 HB2 MET B 46 4.175 -10.143 1.110 1.00 0.00 H new ATOM 0 HB3 MET B 46 3.087 -10.127 -0.263 1.00 0.00 H new ATOM 0 HG2 MET B 46 6.032 -9.492 -0.555 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.432 -11.138 -0.587 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.520 -11.664 -3.603 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.379 -11.739 -1.831 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.456 -10.524 -2.746 1.00 0.00 H new ATOM 1446 N TYR B 47 1.581 -7.813 1.055 1.00 0.00 N ATOM 1447 CA TYR B 47 0.548 -7.549 2.051 1.00 0.00 C ATOM 1448 C TYR B 47 0.528 -8.662 3.096 1.00 0.00 C ATOM 1449 O TYR B 47 0.149 -8.444 4.247 1.00 0.00 O ATOM 1450 CB TYR B 47 -0.826 -7.422 1.388 1.00 0.00 C ATOM 1451 CG TYR B 47 -0.924 -6.280 0.401 1.00 0.00 C ATOM 1452 CD1 TYR B 47 -0.351 -5.045 0.678 1.00 0.00 C ATOM 1453 CD2 TYR B 47 -1.586 -6.437 -0.810 1.00 0.00 C ATOM 1454 CE1 TYR B 47 -0.434 -4.002 -0.222 1.00 0.00 C ATOM 1455 CE2 TYR B 47 -1.673 -5.397 -1.713 1.00 0.00 C ATOM 1456 CZ TYR B 47 -1.096 -4.182 -1.416 1.00 0.00 C ATOM 1457 OH TYR B 47 -1.174 -3.149 -2.319 1.00 0.00 O ATOM 0 H TYR B 47 1.237 -7.919 0.101 1.00 0.00 H new ATOM 0 HA TYR B 47 0.779 -6.605 2.544 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -1.059 -8.355 0.874 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -1.582 -7.287 2.162 1.00 0.00 H new ATOM 0 HD1 TYR B 47 0.168 -4.899 1.614 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.040 -7.388 -1.049 1.00 0.00 H new ATOM 0 HE1 TYR B 47 0.018 -3.049 0.009 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -2.192 -5.535 -2.650 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.135 -3.507 -3.230 1.00 0.00 H new ATOM 1467 N ALA B 48 0.991 -9.838 2.686 1.00 0.00 N ATOM 1468 CA ALA B 48 1.032 -11.007 3.552 1.00 0.00 C ATOM 1469 C ALA B 48 2.114 -10.900 4.622 1.00 0.00 C ATOM 1470 O ALA B 48 2.096 -11.657 5.586 1.00 0.00 O ATOM 1471 CB ALA B 48 1.248 -12.263 2.720 1.00 0.00 C ATOM 0 H ALA B 48 1.348 -10.006 1.745 1.00 0.00 H new ATOM 0 HA ALA B 48 0.072 -11.063 4.065 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.277 -13.133 3.376 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.430 -12.373 2.008 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.191 -12.184 2.180 1.00 0.00 H new ATOM 1477 N ASP B 49 3.052 -9.971 4.455 1.00 0.00 N ATOM 1478 CA ASP B 49 4.129 -9.806 5.432 1.00 0.00 C ATOM 1479 C ASP B 49 3.828 -8.644 6.364 1.00 0.00 C ATOM 1480 O ASP B 49 4.479 -8.475 7.402 1.00 0.00 O ATOM 1481 CB ASP B 49 5.486 -9.529 4.756 1.00 0.00 C ATOM 1482 CG ASP B 49 5.647 -10.141 3.376 1.00 0.00 C ATOM 1483 OD1 ASP B 49 6.024 -9.391 2.444 1.00 0.00 O ATOM 1484 OD2 ASP B 49 5.413 -11.354 3.216 1.00 0.00 O ATOM 0 H ASP B 49 3.090 -9.328 3.664 1.00 0.00 H new ATOM 0 HA ASP B 49 4.189 -10.742 5.987 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.624 -8.451 4.678 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.280 -9.906 5.400 1.00 0.00 H new ATOM 1489 N ILE B 50 2.839 -7.843 6.005 1.00 0.00 N ATOM 1490 CA ILE B 50 2.491 -6.678 6.797 1.00 0.00 C ATOM 1491 C ILE B 50 1.439 -7.018 7.849 1.00 0.00 C ATOM 1492 O ILE B 50 0.394 -7.577 7.535 1.00 0.00 O ATOM 1493 CB ILE B 50 1.970 -5.533 5.906 1.00 0.00 C ATOM 1494 CG1 ILE B 50 2.964 -5.245 4.776 1.00 0.00 C ATOM 1495 CG2 ILE B 50 1.732 -4.280 6.735 1.00 0.00 C ATOM 1496 CD1 ILE B 50 2.394 -4.392 3.665 1.00 0.00 C ATOM 0 H ILE B 50 2.265 -7.978 5.173 1.00 0.00 H new ATOM 0 HA ILE B 50 3.401 -6.351 7.299 1.00 0.00 H new ATOM 0 HB ILE B 50 1.021 -5.840 5.466 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.839 -4.746 5.193 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.307 -6.191 4.356 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.364 -3.482 6.090 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.994 -4.490 7.509 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.667 -3.969 7.201 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.156 -4.231 2.902 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.537 -4.898 3.221 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.078 -3.431 4.070 1.00 0.00 H new ATOM 1508 N LYS B 51 1.724 -6.677 9.097 1.00 0.00 N ATOM 1509 CA LYS B 51 0.802 -6.929 10.199 1.00 0.00 C ATOM 1510 C LYS B 51 -0.327 -5.904 10.174 1.00 0.00 C ATOM 1511 O LYS B 51 -1.500 -6.257 10.064 1.00 0.00 O ATOM 1512 CB LYS B 51 1.553 -6.858 11.534 1.00 0.00 C ATOM 1513 CG LYS B 51 0.682 -7.121 12.752 1.00 0.00 C ATOM 1514 CD LYS B 51 1.351 -6.638 14.033 1.00 0.00 C ATOM 1515 CE LYS B 51 2.537 -7.509 14.418 1.00 0.00 C ATOM 1516 NZ LYS B 51 3.838 -6.809 14.221 1.00 0.00 N ATOM 0 H LYS B 51 2.593 -6.221 9.375 1.00 0.00 H new ATOM 0 HA LYS B 51 0.375 -7.926 10.088 1.00 0.00 H new ATOM 0 HB2 LYS B 51 2.367 -7.583 11.520 1.00 0.00 H new ATOM 0 HB3 LYS B 51 2.006 -5.872 11.631 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -0.277 -6.618 12.630 1.00 0.00 H new ATOM 0 HG3 LYS B 51 0.475 -8.188 12.829 1.00 0.00 H new ATOM 0 HD2 LYS B 51 1.684 -5.608 13.902 1.00 0.00 H new ATOM 0 HD3 LYS B 51 0.623 -6.637 14.844 1.00 0.00 H new ATOM 0 HE2 LYS B 51 2.442 -7.808 15.462 1.00 0.00 H new ATOM 0 HE3 LYS B 51 2.524 -8.422 13.822 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 4.619 -7.476 14.382 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 3.891 -6.442 13.249 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 3.913 -6.020 14.894 1.00 0.00 H new ATOM 1530 N CYS B 52 0.053 -4.642 10.255 1.00 0.00 N ATOM 1531 CA CYS B 52 -0.884 -3.526 10.238 1.00 0.00 C ATOM 1532 C CYS B 52 -0.165 -2.313 9.674 1.00 0.00 C ATOM 1533 O CYS B 52 1.023 -2.406 9.351 1.00 0.00 O ATOM 1534 CB CYS B 52 -1.400 -3.239 11.649 1.00 0.00 C ATOM 1535 SG CYS B 52 -0.144 -3.417 12.939 1.00 0.00 S ATOM 0 H CYS B 52 1.029 -4.357 10.335 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.745 -3.770 9.616 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -1.798 -2.225 11.680 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -2.228 -3.913 11.867 1.00 0.00 H new ATOM 0 HG CYS B 52 0.252 -2.240 13.324 1.00 0.00 H new ATOM 1541 N GLN B 53 -0.834 -1.178 9.552 1.00 0.00 N ATOM 1542 CA GLN B 53 -0.188 -0.022 9.009 1.00 0.00 C ATOM 1543 C GLN B 53 -0.452 1.148 9.935 1.00 0.00 C ATOM 1544 O GLN B 53 -1.252 1.029 10.844 1.00 0.00 O ATOM 1545 CB GLN B 53 -0.733 0.219 7.598 1.00 0.00 C ATOM 1546 CG GLN B 53 -2.240 0.103 7.527 1.00 0.00 C ATOM 1547 CD GLN B 53 -2.848 0.897 6.397 1.00 0.00 C ATOM 1548 OE1 GLN B 53 -2.263 1.858 5.905 1.00 0.00 O ATOM 1549 NE2 GLN B 53 -4.052 0.520 6.004 1.00 0.00 N ATOM 0 H GLN B 53 -1.809 -1.045 9.821 1.00 0.00 H new ATOM 0 HA GLN B 53 0.891 -0.156 8.933 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.433 1.211 7.261 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.285 -0.500 6.912 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.511 -0.946 7.411 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.668 0.441 8.471 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.502 -0.285 6.440 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.531 1.034 5.265 1.00 0.00 H new ATOM 1558 N LYS B 54 0.278 2.227 9.765 1.00 0.00 N ATOM 1559 CA LYS B 54 0.084 3.437 10.553 1.00 0.00 C ATOM 1560 C LYS B 54 0.345 4.609 9.645 1.00 0.00 C ATOM 1561 O LYS B 54 0.897 4.442 8.562 1.00 0.00 O ATOM 1562 CB LYS B 54 1.032 3.529 11.754 1.00 0.00 C ATOM 1563 CG LYS B 54 1.087 2.295 12.623 1.00 0.00 C ATOM 1564 CD LYS B 54 1.012 2.681 14.086 1.00 0.00 C ATOM 1565 CE LYS B 54 2.140 2.070 14.879 1.00 0.00 C ATOM 1566 NZ LYS B 54 1.927 0.622 15.135 1.00 0.00 N ATOM 0 H LYS B 54 1.027 2.297 9.076 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.932 3.428 10.949 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.037 3.742 11.389 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.731 4.376 12.371 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.262 1.628 12.373 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.009 1.747 12.431 1.00 0.00 H new ATOM 0 HD2 LYS B 54 1.047 3.766 14.179 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.057 2.356 14.500 1.00 0.00 H new ATOM 0 HE2 LYS B 54 3.077 2.208 14.340 1.00 0.00 H new ATOM 0 HE3 LYS B 54 2.239 2.594 15.829 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.810 0.197 15.483 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 1.181 0.502 15.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.641 0.152 14.253 1.00 0.00 H new ATOM 1580 N ILE B 55 -0.053 5.780 10.064 1.00 0.00 N ATOM 1581 CA ILE B 55 0.156 6.971 9.251 1.00 0.00 C ATOM 1582 C ILE B 55 0.568 8.142 10.105 1.00 0.00 C ATOM 1583 O ILE B 55 -0.048 8.366 11.114 1.00 0.00 O ATOM 1584 CB ILE B 55 -1.160 7.361 8.546 1.00 0.00 C ATOM 1585 CG1 ILE B 55 -2.288 7.231 9.559 1.00 0.00 C ATOM 1586 CG2 ILE B 55 -1.414 6.494 7.328 1.00 0.00 C ATOM 1587 CD1 ILE B 55 -3.685 7.443 9.048 1.00 0.00 C ATOM 0 H ILE B 55 -0.521 5.945 10.955 1.00 0.00 H new ATOM 0 HA ILE B 55 0.939 6.741 8.528 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.097 8.388 8.186 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.235 6.236 10.001 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.108 7.946 10.362 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.349 6.795 6.855 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.594 6.613 6.619 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.482 5.450 7.633 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.394 7.323 9.867 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.773 8.448 8.636 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.903 6.712 8.269 1.00 0.00 H new ATOM 1599 N SER B 56 1.606 8.883 9.749 1.00 0.00 N ATOM 1600 CA SER B 56 1.935 10.039 10.554 1.00 0.00 C ATOM 1601 C SER B 56 0.809 11.019 10.317 1.00 0.00 C ATOM 1602 O SER B 56 0.663 11.546 9.191 1.00 0.00 O ATOM 1603 CB SER B 56 3.317 10.625 10.250 1.00 0.00 C ATOM 1604 OG SER B 56 3.495 10.880 8.882 1.00 0.00 O ATOM 0 H SER B 56 2.209 8.713 8.944 1.00 0.00 H new ATOM 0 HA SER B 56 2.016 9.771 11.607 1.00 0.00 H new ATOM 0 HB2 SER B 56 3.449 11.551 10.811 1.00 0.00 H new ATOM 0 HB3 SER B 56 4.087 9.933 10.592 1.00 0.00 H new ATOM 0 HG SER B 56 3.768 11.813 8.756 1.00 0.00 H new ATOM 1610 N PRO B 57 -0.012 11.196 11.386 1.00 0.00 N ATOM 1611 CA PRO B 57 -1.246 11.993 11.407 1.00 0.00 C ATOM 1612 C PRO B 57 -1.069 13.451 11.009 1.00 0.00 C ATOM 1613 O PRO B 57 0.053 13.958 10.891 1.00 0.00 O ATOM 1614 CB PRO B 57 -1.687 11.943 12.877 1.00 0.00 C ATOM 1615 CG PRO B 57 -0.467 11.572 13.628 1.00 0.00 C ATOM 1616 CD PRO B 57 0.270 10.652 12.724 1.00 0.00 C ATOM 0 HA PRO B 57 -1.955 11.587 10.685 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -2.076 12.907 13.206 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -2.481 11.211 13.027 1.00 0.00 H new ATOM 0 HG2 PRO B 57 0.131 12.451 13.871 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -0.716 11.085 14.571 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.339 10.647 12.939 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -0.080 9.625 12.823 1.00 0.00 H new ATOM 1624 N GLU B 58 -2.196 14.117 10.797 1.00 0.00 N ATOM 1625 CA GLU B 58 -2.207 15.528 10.473 1.00 0.00 C ATOM 1626 C GLU B 58 -1.570 16.297 11.626 1.00 0.00 C ATOM 1627 O GLU B 58 -1.748 15.944 12.791 1.00 0.00 O ATOM 1628 CB GLU B 58 -3.643 16.017 10.243 1.00 0.00 C ATOM 1629 CG GLU B 58 -4.220 15.650 8.881 1.00 0.00 C ATOM 1630 CD GLU B 58 -4.249 14.154 8.622 1.00 0.00 C ATOM 1631 OE1 GLU B 58 -4.493 13.382 9.573 1.00 0.00 O ATOM 1632 OE2 GLU B 58 -4.019 13.747 7.467 1.00 0.00 O ATOM 0 H GLU B 58 -3.122 13.692 10.846 1.00 0.00 H new ATOM 0 HA GLU B 58 -1.642 15.696 9.556 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.285 15.602 11.020 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -3.668 17.101 10.355 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.234 16.044 8.806 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -3.631 16.135 8.102 1.00 0.00 H new ATOM 1639 N GLY B 59 -0.850 17.351 11.304 1.00 0.00 N ATOM 1640 CA GLY B 59 -0.174 18.121 12.326 1.00 0.00 C ATOM 1641 C GLY B 59 1.322 18.006 12.170 1.00 0.00 C ATOM 1642 O GLY B 59 2.062 18.941 12.468 1.00 0.00 O ATOM 0 H GLY B 59 -0.718 17.692 10.352 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -0.473 19.167 12.259 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -0.471 17.767 13.313 1.00 0.00 H new ATOM 1646 N LYS B 60 1.768 16.844 11.698 1.00 0.00 N ATOM 1647 CA LYS B 60 3.180 16.631 11.435 1.00 0.00 C ATOM 1648 C LYS B 60 3.559 17.428 10.197 1.00 0.00 C ATOM 1649 O LYS B 60 2.703 17.730 9.363 1.00 0.00 O ATOM 1650 CB LYS B 60 3.496 15.148 11.193 1.00 0.00 C ATOM 1651 CG LYS B 60 3.880 14.350 12.434 1.00 0.00 C ATOM 1652 CD LYS B 60 4.653 13.103 12.032 1.00 0.00 C ATOM 1653 CE LYS B 60 5.497 12.542 13.161 1.00 0.00 C ATOM 1654 NZ LYS B 60 6.385 13.551 13.788 1.00 0.00 N ATOM 0 H LYS B 60 1.172 16.042 11.492 1.00 0.00 H new ATOM 0 HA LYS B 60 3.750 16.956 12.306 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.625 14.679 10.735 1.00 0.00 H new ATOM 0 HB3 LYS B 60 4.311 15.081 10.472 1.00 0.00 H new ATOM 0 HG2 LYS B 60 4.486 14.965 13.099 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.984 14.070 12.988 1.00 0.00 H new ATOM 0 HD2 LYS B 60 3.952 12.340 11.696 1.00 0.00 H new ATOM 0 HD3 LYS B 60 5.298 13.339 11.185 1.00 0.00 H new ATOM 0 HE2 LYS B 60 4.840 12.123 13.923 1.00 0.00 H new ATOM 0 HE3 LYS B 60 6.104 11.722 12.778 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 6.970 13.094 14.516 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 7.000 13.971 13.062 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 5.808 14.297 14.226 1.00 0.00 H new ATOM 1668 N ALA B 61 4.830 17.759 10.062 1.00 0.00 N ATOM 1669 CA ALA B 61 5.290 18.517 8.906 1.00 0.00 C ATOM 1670 C ALA B 61 5.421 17.607 7.691 1.00 0.00 C ATOM 1671 O ALA B 61 5.794 18.047 6.605 1.00 0.00 O ATOM 1672 CB ALA B 61 6.612 19.203 9.212 1.00 0.00 C ATOM 0 H ALA B 61 5.560 17.518 10.732 1.00 0.00 H new ATOM 0 HA ALA B 61 4.552 19.286 8.678 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.941 19.765 8.338 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.482 19.884 10.053 1.00 0.00 H new ATOM 0 HB3 ALA B 61 7.361 18.453 9.465 1.00 0.00 H new ATOM 1678 N LYS B 62 5.109 16.334 7.890 1.00 0.00 N ATOM 1679 CA LYS B 62 5.194 15.352 6.827 1.00 0.00 C ATOM 1680 C LYS B 62 4.164 14.240 7.025 1.00 0.00 C ATOM 1681 O LYS B 62 4.251 13.457 7.974 1.00 0.00 O ATOM 1682 CB LYS B 62 6.608 14.763 6.763 1.00 0.00 C ATOM 1683 CG LYS B 62 7.304 14.671 8.113 1.00 0.00 C ATOM 1684 CD LYS B 62 8.543 15.553 8.167 1.00 0.00 C ATOM 1685 CE LYS B 62 9.791 14.794 7.743 1.00 0.00 C ATOM 1686 NZ LYS B 62 10.917 15.010 8.691 1.00 0.00 N ATOM 0 H LYS B 62 4.793 15.959 8.785 1.00 0.00 H new ATOM 0 HA LYS B 62 4.976 15.851 5.883 1.00 0.00 H new ATOM 0 HB2 LYS B 62 6.555 13.766 6.325 1.00 0.00 H new ATOM 0 HB3 LYS B 62 7.215 15.374 6.094 1.00 0.00 H new ATOM 0 HG2 LYS B 62 6.611 14.967 8.901 1.00 0.00 H new ATOM 0 HG3 LYS B 62 7.585 13.636 8.308 1.00 0.00 H new ATOM 0 HD2 LYS B 62 8.404 16.417 7.517 1.00 0.00 H new ATOM 0 HD3 LYS B 62 8.675 15.934 9.180 1.00 0.00 H new ATOM 0 HE2 LYS B 62 9.566 13.729 7.682 1.00 0.00 H new ATOM 0 HE3 LYS B 62 10.090 15.114 6.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 11.750 14.477 8.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 11.149 16.023 8.730 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 10.641 14.681 9.638 1.00 0.00 H new ATOM 1700 N ILE B 63 3.174 14.202 6.142 1.00 0.00 N ATOM 1701 CA ILE B 63 2.140 13.176 6.186 1.00 0.00 C ATOM 1702 C ILE B 63 2.732 11.898 5.613 1.00 0.00 C ATOM 1703 O ILE B 63 3.101 11.856 4.439 1.00 0.00 O ATOM 1704 CB ILE B 63 0.897 13.604 5.378 1.00 0.00 C ATOM 1705 CG1 ILE B 63 0.404 14.970 5.856 1.00 0.00 C ATOM 1706 CG2 ILE B 63 -0.211 12.574 5.505 1.00 0.00 C ATOM 1707 CD1 ILE B 63 0.448 16.038 4.786 1.00 0.00 C ATOM 0 H ILE B 63 3.065 14.874 5.383 1.00 0.00 H new ATOM 0 HA ILE B 63 1.816 13.020 7.215 1.00 0.00 H new ATOM 0 HB ILE B 63 1.179 13.675 4.327 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -0.620 14.871 6.217 1.00 0.00 H new ATOM 0 HG13 ILE B 63 1.011 15.290 6.703 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.077 12.898 4.927 1.00 0.00 H new ATOM 0 HG22 ILE B 63 0.140 11.614 5.127 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.493 12.470 6.553 1.00 0.00 H new ATOM 0 HD11 ILE B 63 0.084 16.980 5.197 1.00 0.00 H new ATOM 0 HD12 ILE B 63 1.474 16.165 4.441 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.182 15.740 3.948 1.00 0.00 H new ATOM 1719 N GLN B 64 2.842 10.855 6.426 1.00 0.00 N ATOM 1720 CA GLN B 64 3.495 9.629 5.956 1.00 0.00 C ATOM 1721 C GLN B 64 2.761 8.362 6.364 1.00 0.00 C ATOM 1722 O GLN B 64 1.819 8.397 7.146 1.00 0.00 O ATOM 1723 CB GLN B 64 4.930 9.562 6.499 1.00 0.00 C ATOM 1724 CG GLN B 64 5.733 10.844 6.320 1.00 0.00 C ATOM 1725 CD GLN B 64 6.793 11.026 7.390 1.00 0.00 C ATOM 1726 OE1 GLN B 64 6.475 10.623 8.608 1.00 0.00 O flip ATOM 1727 NE2 GLN B 64 7.876 11.546 7.131 1.00 0.00 N flip ATOM 0 H GLN B 64 2.501 10.826 7.387 1.00 0.00 H new ATOM 0 HA GLN B 64 3.488 9.676 4.867 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.892 9.317 7.560 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.455 8.747 6.002 1.00 0.00 H new ATOM 0 HG2 GLN B 64 6.210 10.835 5.340 1.00 0.00 H new ATOM 0 HG3 GLN B 64 5.055 11.698 6.337 1.00 0.00 H new ATOM 0 HE21 GLN B 64 8.084 11.844 6.178 1.00 0.00 H new ATOM 0 HE22 GLN B 64 8.567 11.680 7.869 1.00 0.00 H new ATOM 1736 N LEU B 65 3.192 7.246 5.789 1.00 0.00 N ATOM 1737 CA LEU B 65 2.633 5.938 6.101 1.00 0.00 C ATOM 1738 C LEU B 65 3.718 5.054 6.713 1.00 0.00 C ATOM 1739 O LEU B 65 4.893 5.180 6.369 1.00 0.00 O ATOM 1740 CB LEU B 65 2.086 5.252 4.848 1.00 0.00 C ATOM 1741 CG LEU B 65 1.256 3.992 5.118 1.00 0.00 C ATOM 1742 CD1 LEU B 65 -0.212 4.326 5.273 1.00 0.00 C ATOM 1743 CD2 LEU B 65 1.450 2.969 4.023 1.00 0.00 C ATOM 0 H LEU B 65 3.938 7.223 5.094 1.00 0.00 H new ATOM 0 HA LEU B 65 1.813 6.082 6.805 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.471 5.965 4.299 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.922 4.988 4.201 1.00 0.00 H new ATOM 0 HG LEU B 65 1.608 3.562 6.056 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.775 3.412 5.464 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.342 5.014 6.109 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.577 4.793 4.358 1.00 0.00 H new ATOM 0 HD21 LEU B 65 0.850 2.085 4.240 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.139 3.394 3.069 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.502 2.689 3.969 1.00 0.00 H new ATOM 1755 N GLN B 66 3.324 4.184 7.624 1.00 0.00 N ATOM 1756 CA GLN B 66 4.245 3.269 8.274 1.00 0.00 C ATOM 1757 C GLN B 66 3.721 1.845 8.176 1.00 0.00 C ATOM 1758 O GLN B 66 2.639 1.542 8.668 1.00 0.00 O ATOM 1759 CB GLN B 66 4.411 3.654 9.739 1.00 0.00 C ATOM 1760 CG GLN B 66 5.496 2.876 10.465 1.00 0.00 C ATOM 1761 CD GLN B 66 5.840 3.479 11.812 1.00 0.00 C ATOM 1762 OE1 GLN B 66 6.851 4.334 11.832 1.00 0.00 O flip ATOM 1763 NE2 GLN B 66 5.207 3.173 12.824 1.00 0.00 N flip ATOM 0 H GLN B 66 2.357 4.091 7.935 1.00 0.00 H new ATOM 0 HA GLN B 66 5.212 3.329 7.775 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.639 4.718 9.800 1.00 0.00 H new ATOM 0 HB3 GLN B 66 3.462 3.501 10.254 1.00 0.00 H new ATOM 0 HG2 GLN B 66 5.168 1.846 10.605 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.392 2.844 9.845 1.00 0.00 H new ATOM 0 HE21 GLN B 66 4.435 2.509 12.761 1.00 0.00 H new ATOM 0 HE22 GLN B 66 5.455 3.583 13.724 1.00 0.00 H new ATOM 1772 N LEU B 67 4.480 0.977 7.533 1.00 0.00 N ATOM 1773 CA LEU B 67 4.077 -0.410 7.390 1.00 0.00 C ATOM 1774 C LEU B 67 4.700 -1.268 8.475 1.00 0.00 C ATOM 1775 O LEU B 67 5.898 -1.532 8.446 1.00 0.00 O ATOM 1776 CB LEU B 67 4.492 -0.954 6.025 1.00 0.00 C ATOM 1777 CG LEU B 67 3.674 -0.450 4.843 1.00 0.00 C ATOM 1778 CD1 LEU B 67 4.145 -1.117 3.564 1.00 0.00 C ATOM 1779 CD2 LEU B 67 2.194 -0.714 5.069 1.00 0.00 C ATOM 0 H LEU B 67 5.376 1.207 7.103 1.00 0.00 H new ATOM 0 HA LEU B 67 2.991 -0.448 7.481 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.538 -0.701 5.855 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.428 -2.042 6.052 1.00 0.00 H new ATOM 0 HG LEU B 67 3.818 0.626 4.750 1.00 0.00 H new ATOM 0 HD11 LEU B 67 3.555 -0.751 2.724 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.197 -0.883 3.398 1.00 0.00 H new ATOM 0 HD13 LEU B 67 4.022 -2.197 3.650 1.00 0.00 H new ATOM 0 HD21 LEU B 67 1.624 -0.348 4.215 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.029 -1.785 5.183 1.00 0.00 H new ATOM 0 HD23 LEU B 67 1.866 -0.199 5.972 1.00 0.00 H new ATOM 1791 N VAL B 68 3.896 -1.688 9.439 1.00 0.00 N ATOM 1792 CA VAL B 68 4.396 -2.533 10.506 1.00 0.00 C ATOM 1793 C VAL B 68 4.255 -3.985 10.104 1.00 0.00 C ATOM 1794 O VAL B 68 3.150 -4.523 10.039 1.00 0.00 O ATOM 1795 CB VAL B 68 3.679 -2.293 11.849 1.00 0.00 C ATOM 1796 CG1 VAL B 68 4.173 -3.273 12.903 1.00 0.00 C ATOM 1797 CG2 VAL B 68 3.910 -0.874 12.318 1.00 0.00 C ATOM 0 H VAL B 68 2.904 -1.459 9.503 1.00 0.00 H new ATOM 0 HA VAL B 68 5.445 -2.276 10.657 1.00 0.00 H new ATOM 0 HB VAL B 68 2.611 -2.450 11.700 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.655 -3.087 13.844 1.00 0.00 H new ATOM 0 HG12 VAL B 68 3.973 -4.293 12.574 1.00 0.00 H new ATOM 0 HG13 VAL B 68 5.245 -3.142 13.047 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.398 -0.717 13.268 1.00 0.00 H new ATOM 0 HG22 VAL B 68 4.979 -0.703 12.449 1.00 0.00 H new ATOM 0 HG23 VAL B 68 3.520 -0.177 11.576 1.00 0.00 H new ATOM 1807 N LEU B 69 5.380 -4.612 9.828 1.00 0.00 N ATOM 1808 CA LEU B 69 5.394 -5.995 9.408 1.00 0.00 C ATOM 1809 C LEU B 69 5.058 -6.918 10.580 1.00 0.00 C ATOM 1810 O LEU B 69 4.877 -6.463 11.716 1.00 0.00 O ATOM 1811 CB LEU B 69 6.735 -6.356 8.780 1.00 0.00 C ATOM 1812 CG LEU B 69 7.155 -5.507 7.571 1.00 0.00 C ATOM 1813 CD1 LEU B 69 8.010 -6.334 6.635 1.00 0.00 C ATOM 1814 CD2 LEU B 69 5.961 -4.927 6.829 1.00 0.00 C ATOM 0 H LEU B 69 6.302 -4.180 9.888 1.00 0.00 H new ATOM 0 HA LEU B 69 4.626 -6.132 8.647 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.507 -6.273 9.545 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.702 -7.401 8.473 1.00 0.00 H new ATOM 0 HG LEU B 69 7.735 -4.664 7.946 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.305 -5.727 5.779 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.901 -6.675 7.162 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.441 -7.197 6.289 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.311 -4.335 5.983 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.328 -5.738 6.468 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.387 -4.292 7.504 1.00 0.00 H new ATOM 1826 N HIS B 70 4.971 -8.209 10.305 1.00 0.00 N ATOM 1827 CA HIS B 70 4.610 -9.196 11.321 1.00 0.00 C ATOM 1828 C HIS B 70 5.586 -9.259 12.494 1.00 0.00 C ATOM 1829 O HIS B 70 5.158 -9.208 13.648 1.00 0.00 O ATOM 1830 CB HIS B 70 4.465 -10.576 10.688 1.00 0.00 C ATOM 1831 CG HIS B 70 3.237 -10.709 9.847 1.00 0.00 C ATOM 1832 ND1 HIS B 70 2.059 -10.034 10.090 1.00 0.00 N ATOM 1833 CD2 HIS B 70 3.017 -11.448 8.737 1.00 0.00 C ATOM 1834 CE1 HIS B 70 1.184 -10.383 9.140 1.00 0.00 C ATOM 1835 NE2 HIS B 70 1.714 -11.238 8.300 1.00 0.00 N ATOM 0 H HIS B 70 5.146 -8.604 9.381 1.00 0.00 H new ATOM 0 HA HIS B 70 3.656 -8.869 11.734 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.342 -10.782 10.075 1.00 0.00 H new ATOM 0 HB3 HIS B 70 4.442 -11.330 11.475 1.00 0.00 H new ATOM 0 HD2 HIS B 70 3.739 -12.098 8.265 1.00 0.00 H new ATOM 0 HE1 HIS B 70 0.173 -10.009 9.074 1.00 0.00 H new ATOM 0 HE2 HIS B 70 1.262 -11.663 7.490 1.00 0.00 H new ATOM 1843 N ALA B 71 6.880 -9.338 12.212 1.00 0.00 N ATOM 1844 CA ALA B 71 7.885 -9.438 13.272 1.00 0.00 C ATOM 1845 C ALA B 71 7.977 -8.155 14.095 1.00 0.00 C ATOM 1846 O ALA B 71 8.406 -8.172 15.247 1.00 0.00 O ATOM 1847 CB ALA B 71 9.243 -9.784 12.680 1.00 0.00 C ATOM 0 H ALA B 71 7.261 -9.335 11.266 1.00 0.00 H new ATOM 0 HA ALA B 71 7.573 -10.236 13.945 1.00 0.00 H new ATOM 0 HB1 ALA B 71 9.981 -9.855 13.479 1.00 0.00 H new ATOM 0 HB2 ALA B 71 9.180 -10.739 12.158 1.00 0.00 H new ATOM 0 HB3 ALA B 71 9.543 -9.006 11.978 1.00 0.00 H new ATOM 1853 N GLY B 72 7.535 -7.055 13.511 1.00 0.00 N ATOM 1854 CA GLY B 72 7.591 -5.773 14.188 1.00 0.00 C ATOM 1855 C GLY B 72 8.451 -4.810 13.411 1.00 0.00 C ATOM 1856 O GLY B 72 8.994 -3.847 13.950 1.00 0.00 O ATOM 0 H GLY B 72 7.135 -7.024 12.573 1.00 0.00 H new ATOM 0 HA2 GLY B 72 6.585 -5.367 14.297 1.00 0.00 H new ATOM 0 HA3 GLY B 72 7.993 -5.902 15.193 1.00 0.00 H new ATOM 1860 N ASP B 73 8.543 -5.090 12.127 1.00 0.00 N ATOM 1861 CA ASP B 73 9.325 -4.310 11.193 1.00 0.00 C ATOM 1862 C ASP B 73 8.512 -3.104 10.785 1.00 0.00 C ATOM 1863 O ASP B 73 7.295 -3.103 10.955 1.00 0.00 O ATOM 1864 CB ASP B 73 9.657 -5.161 9.961 1.00 0.00 C ATOM 1865 CG ASP B 73 9.855 -6.632 10.294 1.00 0.00 C ATOM 1866 OD1 ASP B 73 8.850 -7.309 10.638 1.00 0.00 O ATOM 1867 OD2 ASP B 73 11.001 -7.112 10.207 1.00 0.00 O ATOM 0 H ASP B 73 8.066 -5.882 11.696 1.00 0.00 H new ATOM 0 HA ASP B 73 10.258 -3.990 11.656 1.00 0.00 H new ATOM 0 HB2 ASP B 73 8.853 -5.064 9.231 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.562 -4.775 9.492 1.00 0.00 H new ATOM 1872 N THR B 74 9.151 -2.082 10.253 1.00 0.00 N ATOM 1873 CA THR B 74 8.421 -0.895 9.853 1.00 0.00 C ATOM 1874 C THR B 74 9.027 -0.240 8.619 1.00 0.00 C ATOM 1875 O THR B 74 10.238 -0.032 8.536 1.00 0.00 O ATOM 1876 CB THR B 74 8.373 0.134 11.001 1.00 0.00 C ATOM 1877 OG1 THR B 74 9.618 0.130 11.711 1.00 0.00 O ATOM 1878 CG2 THR B 74 7.243 -0.165 11.970 1.00 0.00 C ATOM 0 H THR B 74 10.157 -2.047 10.089 1.00 0.00 H new ATOM 0 HA THR B 74 7.409 -1.219 9.609 1.00 0.00 H new ATOM 0 HB THR B 74 8.197 1.115 10.560 1.00 0.00 H new ATOM 0 HG1 THR B 74 9.582 0.787 12.438 1.00 0.00 H new ATOM 0 HG21 THR B 74 7.239 0.580 12.766 1.00 0.00 H new ATOM 0 HG22 THR B 74 6.291 -0.134 11.440 1.00 0.00 H new ATOM 0 HG23 THR B 74 7.386 -1.156 12.401 1.00 0.00 H new ATOM 1886 N THR B 75 8.174 0.059 7.656 1.00 0.00 N ATOM 1887 CA THR B 75 8.595 0.714 6.435 1.00 0.00 C ATOM 1888 C THR B 75 7.921 2.077 6.318 1.00 0.00 C ATOM 1889 O THR B 75 6.710 2.163 6.112 1.00 0.00 O ATOM 1890 CB THR B 75 8.252 -0.139 5.202 1.00 0.00 C ATOM 1891 OG1 THR B 75 8.275 -1.531 5.551 1.00 0.00 O ATOM 1892 CG2 THR B 75 9.240 0.123 4.076 1.00 0.00 C ATOM 0 H THR B 75 7.176 -0.145 7.699 1.00 0.00 H new ATOM 0 HA THR B 75 9.677 0.842 6.475 1.00 0.00 H new ATOM 0 HB THR B 75 7.254 0.134 4.860 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.794 -2.027 4.884 1.00 0.00 H new ATOM 0 HG21 THR B 75 8.980 -0.490 3.213 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.203 1.176 3.797 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.247 -0.129 4.409 1.00 0.00 H new ATOM 1900 N ASN B 76 8.703 3.135 6.482 1.00 0.00 N ATOM 1901 CA ASN B 76 8.181 4.497 6.401 1.00 0.00 C ATOM 1902 C ASN B 76 8.118 4.994 4.967 1.00 0.00 C ATOM 1903 O ASN B 76 9.060 4.821 4.192 1.00 0.00 O ATOM 1904 CB ASN B 76 9.036 5.460 7.229 1.00 0.00 C ATOM 1905 CG ASN B 76 8.552 5.607 8.656 1.00 0.00 C ATOM 1906 OD1 ASN B 76 8.892 6.723 9.273 1.00 0.00 O flip ATOM 1907 ND2 ASN B 76 7.887 4.724 9.199 1.00 0.00 N flip ATOM 0 H ASN B 76 9.703 3.079 6.672 1.00 0.00 H new ATOM 0 HA ASN B 76 7.169 4.469 6.804 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.067 5.107 7.236 1.00 0.00 H new ATOM 0 HB3 ASN B 76 9.038 6.439 6.750 1.00 0.00 H new ATOM 0 HD21 ASN B 76 7.647 3.877 8.684 1.00 0.00 H new ATOM 0 HD22 ASN B 76 7.576 4.840 10.164 1.00 0.00 H new ATOM 1914 N PHE B 77 6.991 5.601 4.623 1.00 0.00 N ATOM 1915 CA PHE B 77 6.777 6.165 3.301 1.00 0.00 C ATOM 1916 C PHE B 77 6.244 7.584 3.436 1.00 0.00 C ATOM 1917 O PHE B 77 5.095 7.793 3.824 1.00 0.00 O ATOM 1918 CB PHE B 77 5.804 5.302 2.493 1.00 0.00 C ATOM 1919 CG PHE B 77 6.384 3.976 2.098 1.00 0.00 C ATOM 1920 CD1 PHE B 77 5.753 2.794 2.449 1.00 0.00 C ATOM 1921 CD2 PHE B 77 7.567 3.914 1.380 1.00 0.00 C ATOM 1922 CE1 PHE B 77 6.294 1.575 2.088 1.00 0.00 C ATOM 1923 CE2 PHE B 77 8.110 2.700 1.018 1.00 0.00 C ATOM 1924 CZ PHE B 77 7.474 1.528 1.371 1.00 0.00 C ATOM 0 H PHE B 77 6.199 5.716 5.255 1.00 0.00 H new ATOM 0 HA PHE B 77 7.727 6.187 2.767 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.901 5.137 3.080 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.506 5.844 1.595 1.00 0.00 H new ATOM 0 HD1 PHE B 77 4.830 2.825 3.010 1.00 0.00 H new ATOM 0 HD2 PHE B 77 8.070 4.828 1.100 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.794 0.659 2.366 1.00 0.00 H new ATOM 0 HE2 PHE B 77 9.033 2.666 0.458 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.898 0.576 1.088 1.00 0.00 H new ATOM 1934 N HIS B 78 7.092 8.551 3.129 1.00 0.00 N ATOM 1935 CA HIS B 78 6.738 9.957 3.235 1.00 0.00 C ATOM 1936 C HIS B 78 6.068 10.452 1.962 1.00 0.00 C ATOM 1937 O HIS B 78 6.661 10.426 0.887 1.00 0.00 O ATOM 1938 CB HIS B 78 8.009 10.773 3.527 1.00 0.00 C ATOM 1939 CG HIS B 78 7.832 12.268 3.593 1.00 0.00 C ATOM 1940 ND1 HIS B 78 6.718 13.040 3.501 1.00 0.00 N flip ATOM 1941 CD2 HIS B 78 8.883 13.146 3.753 1.00 0.00 C flip ATOM 1942 CE1 HIS B 78 7.080 14.379 3.599 1.00 0.00 C flip ATOM 1943 NE2 HIS B 78 8.389 14.387 3.750 1.00 0.00 N flip ATOM 0 H HIS B 78 8.043 8.385 2.800 1.00 0.00 H new ATOM 0 HA HIS B 78 6.025 10.083 4.050 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.425 10.434 4.476 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.747 10.548 2.757 1.00 0.00 H new ATOM 0 HD2 HIS B 78 9.923 12.877 3.862 1.00 0.00 H new ATOM 0 HE1 HIS B 78 6.424 15.236 3.559 1.00 0.00 H new ATOM 0 HE2 HIS B 78 8.952 15.231 3.851 1.00 0.00 H new ATOM 1951 N PHE B 79 4.830 10.900 2.088 1.00 0.00 N ATOM 1952 CA PHE B 79 4.103 11.435 0.954 1.00 0.00 C ATOM 1953 C PHE B 79 4.526 12.881 0.760 1.00 0.00 C ATOM 1954 O PHE B 79 3.807 13.811 1.117 1.00 0.00 O ATOM 1955 CB PHE B 79 2.593 11.345 1.181 1.00 0.00 C ATOM 1956 CG PHE B 79 2.082 9.938 1.288 1.00 0.00 C ATOM 1957 CD1 PHE B 79 1.632 9.266 0.166 1.00 0.00 C ATOM 1958 CD2 PHE B 79 2.048 9.290 2.512 1.00 0.00 C ATOM 1959 CE1 PHE B 79 1.154 7.973 0.262 1.00 0.00 C ATOM 1960 CE2 PHE B 79 1.574 7.998 2.614 1.00 0.00 C ATOM 1961 CZ PHE B 79 1.125 7.339 1.488 1.00 0.00 C ATOM 0 H PHE B 79 4.309 10.903 2.965 1.00 0.00 H new ATOM 0 HA PHE B 79 4.333 10.853 0.062 1.00 0.00 H new ATOM 0 HB2 PHE B 79 2.339 11.885 2.093 1.00 0.00 H new ATOM 0 HB3 PHE B 79 2.081 11.847 0.360 1.00 0.00 H new ATOM 0 HD1 PHE B 79 1.654 9.757 -0.796 1.00 0.00 H new ATOM 0 HD2 PHE B 79 2.397 9.802 3.397 1.00 0.00 H new ATOM 0 HE1 PHE B 79 0.804 7.459 -0.621 1.00 0.00 H new ATOM 0 HE2 PHE B 79 1.555 7.503 3.574 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.751 6.329 1.566 1.00 0.00 H new ATOM 1971 N SER B 80 5.714 13.054 0.207 1.00 0.00 N ATOM 1972 CA SER B 80 6.289 14.367 -0.018 1.00 0.00 C ATOM 1973 C SER B 80 5.705 15.055 -1.250 1.00 0.00 C ATOM 1974 O SER B 80 6.397 15.809 -1.932 1.00 0.00 O ATOM 1975 CB SER B 80 7.802 14.227 -0.156 1.00 0.00 C ATOM 1976 OG SER B 80 8.139 12.959 -0.696 1.00 0.00 O ATOM 0 H SER B 80 6.309 12.284 -0.099 1.00 0.00 H new ATOM 0 HA SER B 80 6.044 14.997 0.837 1.00 0.00 H new ATOM 0 HB2 SER B 80 8.188 15.017 -0.800 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.274 14.351 0.818 1.00 0.00 H new ATOM 0 HG SER B 80 7.554 12.762 -1.457 1.00 0.00 H new ATOM 1982 N ASN B 81 4.445 14.785 -1.544 1.00 0.00 N ATOM 1983 CA ASN B 81 3.787 15.416 -2.674 1.00 0.00 C ATOM 1984 C ASN B 81 3.020 16.621 -2.166 1.00 0.00 C ATOM 1985 O ASN B 81 1.930 16.490 -1.620 1.00 0.00 O ATOM 1986 CB ASN B 81 2.842 14.450 -3.390 1.00 0.00 C ATOM 1987 CG ASN B 81 2.521 14.907 -4.804 1.00 0.00 C ATOM 1988 OD1 ASN B 81 2.781 16.054 -5.176 1.00 0.00 O ATOM 1989 ND2 ASN B 81 1.930 14.027 -5.594 1.00 0.00 N ATOM 0 H ASN B 81 3.859 14.136 -1.018 1.00 0.00 H new ATOM 0 HA ASN B 81 4.541 15.721 -3.399 1.00 0.00 H new ATOM 0 HB2 ASN B 81 3.295 13.459 -3.424 1.00 0.00 H new ATOM 0 HB3 ASN B 81 1.917 14.359 -2.820 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.673 14.288 -6.546 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.731 13.087 -5.251 1.00 0.00 H new ATOM 1996 N GLU B 82 3.595 17.794 -2.352 1.00 0.00 N ATOM 1997 CA GLU B 82 3.000 19.039 -1.882 1.00 0.00 C ATOM 1998 C GLU B 82 1.641 19.311 -2.529 1.00 0.00 C ATOM 1999 O GLU B 82 0.921 20.218 -2.113 1.00 0.00 O ATOM 2000 CB GLU B 82 3.958 20.207 -2.154 1.00 0.00 C ATOM 2001 CG GLU B 82 5.361 20.015 -1.578 1.00 0.00 C ATOM 2002 CD GLU B 82 6.277 19.192 -2.475 1.00 0.00 C ATOM 2003 OE1 GLU B 82 5.807 18.685 -3.513 1.00 0.00 O ATOM 2004 OE2 GLU B 82 7.472 19.034 -2.141 1.00 0.00 O ATOM 0 H GLU B 82 4.487 17.915 -2.832 1.00 0.00 H new ATOM 0 HA GLU B 82 2.833 18.941 -0.809 1.00 0.00 H new ATOM 0 HB2 GLU B 82 4.037 20.354 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU B 82 3.529 21.119 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU B 82 5.813 20.992 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU B 82 5.283 19.528 -0.606 1.00 0.00 H new ATOM 2011 N SER B 83 1.291 18.525 -3.536 1.00 0.00 N ATOM 2012 CA SER B 83 0.023 18.699 -4.220 1.00 0.00 C ATOM 2013 C SER B 83 -1.124 18.016 -3.464 1.00 0.00 C ATOM 2014 O SER B 83 -2.067 18.677 -3.028 1.00 0.00 O ATOM 2015 CB SER B 83 0.126 18.136 -5.638 1.00 0.00 C ATOM 2016 OG SER B 83 1.440 18.290 -6.153 1.00 0.00 O ATOM 0 H SER B 83 1.867 17.763 -3.895 1.00 0.00 H new ATOM 0 HA SER B 83 -0.198 19.766 -4.262 1.00 0.00 H new ATOM 0 HB2 SER B 83 -0.145 17.080 -5.634 1.00 0.00 H new ATOM 0 HB3 SER B 83 -0.585 18.646 -6.288 1.00 0.00 H new ATOM 0 HG SER B 83 1.997 17.540 -5.857 1.00 0.00 H new ATOM 2022 N THR B 84 -1.044 16.700 -3.297 1.00 0.00 N ATOM 2023 CA THR B 84 -2.096 15.960 -2.610 1.00 0.00 C ATOM 2024 C THR B 84 -1.546 14.982 -1.569 1.00 0.00 C ATOM 2025 O THR B 84 -2.097 13.898 -1.396 1.00 0.00 O ATOM 2026 CB THR B 84 -2.965 15.196 -3.627 1.00 0.00 C ATOM 2027 OG1 THR B 84 -2.177 14.844 -4.771 1.00 0.00 O ATOM 2028 CG2 THR B 84 -4.157 16.033 -4.062 1.00 0.00 C ATOM 0 H THR B 84 -0.267 16.127 -3.626 1.00 0.00 H new ATOM 0 HA THR B 84 -2.702 16.696 -2.081 1.00 0.00 H new ATOM 0 HB THR B 84 -3.338 14.291 -3.148 1.00 0.00 H new ATOM 0 HG1 THR B 84 -1.346 14.416 -4.477 1.00 0.00 H new ATOM 0 HG21 THR B 84 -4.754 15.471 -4.780 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.768 16.275 -3.193 1.00 0.00 H new ATOM 0 HG23 THR B 84 -3.805 16.954 -4.526 1.00 0.00 H new ATOM 2036 N ALA B 85 -0.490 15.385 -0.861 1.00 0.00 N ATOM 2037 CA ALA B 85 0.159 14.543 0.159 1.00 0.00 C ATOM 2038 C ALA B 85 -0.849 13.838 1.052 1.00 0.00 C ATOM 2039 O ALA B 85 -0.846 12.614 1.178 1.00 0.00 O ATOM 2040 CB ALA B 85 1.090 15.384 1.020 1.00 0.00 C ATOM 0 H ALA B 85 -0.057 16.302 -0.974 1.00 0.00 H new ATOM 0 HA ALA B 85 0.727 13.780 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA B 85 1.564 14.750 1.770 1.00 0.00 H new ATOM 0 HB2 ALA B 85 1.857 15.837 0.391 1.00 0.00 H new ATOM 0 HB3 ALA B 85 0.518 16.168 1.516 1.00 0.00 H new ATOM 2046 N VAL B 86 -1.712 14.628 1.667 1.00 0.00 N ATOM 2047 CA VAL B 86 -2.736 14.110 2.563 1.00 0.00 C ATOM 2048 C VAL B 86 -3.670 13.124 1.846 1.00 0.00 C ATOM 2049 O VAL B 86 -3.966 12.046 2.360 1.00 0.00 O ATOM 2050 CB VAL B 86 -3.572 15.265 3.150 1.00 0.00 C ATOM 2051 CG1 VAL B 86 -4.757 14.733 3.939 1.00 0.00 C ATOM 2052 CG2 VAL B 86 -2.724 16.162 4.029 1.00 0.00 C ATOM 0 H VAL B 86 -1.725 15.642 1.561 1.00 0.00 H new ATOM 0 HA VAL B 86 -2.224 13.580 3.366 1.00 0.00 H new ATOM 0 HB VAL B 86 -3.947 15.855 2.314 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.330 15.568 4.342 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.394 14.139 3.283 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.398 14.110 4.758 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -3.340 16.967 4.429 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.310 15.579 4.852 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -1.911 16.586 3.439 1.00 0.00 H new ATOM 2062 N LYS B 87 -4.098 13.487 0.643 1.00 0.00 N ATOM 2063 CA LYS B 87 -5.022 12.656 -0.125 1.00 0.00 C ATOM 2064 C LYS B 87 -4.371 11.369 -0.624 1.00 0.00 C ATOM 2065 O LYS B 87 -4.966 10.296 -0.517 1.00 0.00 O ATOM 2066 CB LYS B 87 -5.613 13.447 -1.290 1.00 0.00 C ATOM 2067 CG LYS B 87 -7.105 13.727 -1.138 1.00 0.00 C ATOM 2068 CD LYS B 87 -7.439 14.293 0.238 1.00 0.00 C ATOM 2069 CE LYS B 87 -7.995 13.224 1.172 1.00 0.00 C ATOM 2070 NZ LYS B 87 -7.838 13.597 2.602 1.00 0.00 N ATOM 0 H LYS B 87 -3.821 14.351 0.177 1.00 0.00 H new ATOM 0 HA LYS B 87 -5.826 12.365 0.550 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -5.081 14.394 -1.383 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -5.447 12.895 -2.215 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -7.423 14.431 -1.907 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.666 12.806 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.543 14.730 0.678 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -8.167 15.098 0.133 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -9.051 13.065 0.953 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.485 12.279 0.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.228 12.901 3.077 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -7.405 14.540 2.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -8.771 13.611 3.062 1.00 0.00 H new ATOM 2084 N GLU B 88 -3.161 11.464 -1.167 1.00 0.00 N ATOM 2085 CA GLU B 88 -2.460 10.280 -1.652 1.00 0.00 C ATOM 2086 C GLU B 88 -2.176 9.349 -0.480 1.00 0.00 C ATOM 2087 O GLU B 88 -2.154 8.126 -0.629 1.00 0.00 O ATOM 2088 CB GLU B 88 -1.170 10.660 -2.383 1.00 0.00 C ATOM 2089 CG GLU B 88 -1.418 11.385 -3.696 1.00 0.00 C ATOM 2090 CD GLU B 88 -0.237 12.219 -4.144 1.00 0.00 C ATOM 2091 OE1 GLU B 88 0.655 11.686 -4.841 1.00 0.00 O ATOM 2092 OE2 GLU B 88 -0.209 13.423 -3.812 1.00 0.00 O ATOM 0 H GLU B 88 -2.650 12.339 -1.282 1.00 0.00 H new ATOM 0 HA GLU B 88 -3.093 9.762 -2.372 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -0.565 11.293 -1.734 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -0.591 9.757 -2.577 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -1.654 10.654 -4.469 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.291 12.029 -3.590 1.00 0.00 H new ATOM 2099 N ARG B 89 -1.979 9.945 0.694 1.00 0.00 N ATOM 2100 CA ARG B 89 -1.751 9.187 1.914 1.00 0.00 C ATOM 2101 C ARG B 89 -2.980 8.345 2.204 1.00 0.00 C ATOM 2102 O ARG B 89 -2.885 7.153 2.479 1.00 0.00 O ATOM 2103 CB ARG B 89 -1.481 10.138 3.090 1.00 0.00 C ATOM 2104 CG ARG B 89 -1.153 9.446 4.411 1.00 0.00 C ATOM 2105 CD ARG B 89 -2.399 9.111 5.230 1.00 0.00 C ATOM 2106 NE ARG B 89 -3.488 10.076 5.043 1.00 0.00 N ATOM 2107 CZ ARG B 89 -3.744 11.096 5.866 1.00 0.00 C ATOM 2108 NH1 ARG B 89 -2.978 11.323 6.925 1.00 0.00 N ATOM 2109 NH2 ARG B 89 -4.776 11.892 5.638 1.00 0.00 N ATOM 0 H ARG B 89 -1.973 10.957 0.822 1.00 0.00 H new ATOM 0 HA ARG B 89 -0.881 8.543 1.785 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -0.653 10.795 2.825 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -2.356 10.771 3.235 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -0.600 8.529 4.208 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.499 10.089 5.000 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -2.751 8.117 4.954 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -2.133 9.073 6.286 1.00 0.00 H new ATOM 0 HE ARG B 89 -4.091 9.960 4.229 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -2.182 10.715 7.119 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -3.185 12.106 7.546 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -5.379 11.727 4.832 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -4.969 12.670 6.269 1.00 0.00 H new ATOM 2123 N ASP B 90 -4.135 8.993 2.119 1.00 0.00 N ATOM 2124 CA ASP B 90 -5.418 8.347 2.365 1.00 0.00 C ATOM 2125 C ASP B 90 -5.670 7.249 1.342 1.00 0.00 C ATOM 2126 O ASP B 90 -6.196 6.195 1.679 1.00 0.00 O ATOM 2127 CB ASP B 90 -6.552 9.375 2.320 1.00 0.00 C ATOM 2128 CG ASP B 90 -6.665 10.159 3.608 1.00 0.00 C ATOM 2129 OD1 ASP B 90 -6.622 11.406 3.559 1.00 0.00 O ATOM 2130 OD2 ASP B 90 -6.779 9.527 4.676 1.00 0.00 O ATOM 0 H ASP B 90 -4.209 9.981 1.878 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.389 7.899 3.358 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.383 10.063 1.492 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.495 8.865 2.124 1.00 0.00 H new ATOM 2135 N ALA B 91 -5.276 7.499 0.097 1.00 0.00 N ATOM 2136 CA ALA B 91 -5.455 6.529 -0.974 1.00 0.00 C ATOM 2137 C ALA B 91 -4.718 5.230 -0.664 1.00 0.00 C ATOM 2138 O ALA B 91 -5.264 4.144 -0.830 1.00 0.00 O ATOM 2139 CB ALA B 91 -4.980 7.111 -2.296 1.00 0.00 C ATOM 0 H ALA B 91 -4.829 8.369 -0.194 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.518 6.301 -1.054 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.119 6.376 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -5.556 8.007 -2.527 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -3.923 7.368 -2.222 1.00 0.00 H new ATOM 2145 N VAL B 92 -3.478 5.350 -0.197 1.00 0.00 N ATOM 2146 CA VAL B 92 -2.674 4.180 0.136 1.00 0.00 C ATOM 2147 C VAL B 92 -3.178 3.558 1.427 1.00 0.00 C ATOM 2148 O VAL B 92 -3.267 2.343 1.562 1.00 0.00 O ATOM 2149 CB VAL B 92 -1.183 4.547 0.306 1.00 0.00 C ATOM 2150 CG1 VAL B 92 -0.369 3.344 0.759 1.00 0.00 C ATOM 2151 CG2 VAL B 92 -0.619 5.106 -0.986 1.00 0.00 C ATOM 0 H VAL B 92 -3.010 6.243 -0.041 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.766 3.471 -0.687 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.115 5.314 1.078 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.676 3.633 0.870 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.750 2.986 1.715 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.449 2.550 0.016 1.00 0.00 H new ATOM 0 HG21 VAL B 92 0.432 5.358 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -0.711 4.360 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -1.173 6.002 -1.267 1.00 0.00 H new ATOM 2161 N LYS B 93 -3.543 4.426 2.347 1.00 0.00 N ATOM 2162 CA LYS B 93 -4.025 4.037 3.654 1.00 0.00 C ATOM 2163 C LYS B 93 -5.313 3.223 3.553 1.00 0.00 C ATOM 2164 O LYS B 93 -5.404 2.117 4.094 1.00 0.00 O ATOM 2165 CB LYS B 93 -4.229 5.312 4.473 1.00 0.00 C ATOM 2166 CG LYS B 93 -5.322 5.244 5.518 1.00 0.00 C ATOM 2167 CD LYS B 93 -5.523 6.601 6.162 1.00 0.00 C ATOM 2168 CE LYS B 93 -6.948 6.786 6.638 1.00 0.00 C ATOM 2169 NZ LYS B 93 -7.833 7.316 5.565 1.00 0.00 N ATOM 0 H LYS B 93 -3.512 5.436 2.205 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.296 3.392 4.145 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.290 5.559 4.969 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -4.454 6.131 3.789 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -6.253 4.911 5.059 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -5.061 4.508 6.279 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -4.840 6.709 7.005 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.273 7.385 5.447 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.339 5.831 6.991 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.960 7.469 7.487 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.664 7.771 5.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -7.311 8.013 4.997 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.144 6.534 4.953 1.00 0.00 H new ATOM 2183 N ASP B 94 -6.288 3.763 2.839 1.00 0.00 N ATOM 2184 CA ASP B 94 -7.577 3.108 2.664 1.00 0.00 C ATOM 2185 C ASP B 94 -7.464 1.857 1.809 1.00 0.00 C ATOM 2186 O ASP B 94 -8.120 0.847 2.075 1.00 0.00 O ATOM 2187 CB ASP B 94 -8.585 4.075 2.051 1.00 0.00 C ATOM 2188 CG ASP B 94 -9.360 4.834 3.107 1.00 0.00 C ATOM 2189 OD1 ASP B 94 -10.573 4.576 3.250 1.00 0.00 O ATOM 2190 OD2 ASP B 94 -8.755 5.665 3.817 1.00 0.00 O ATOM 0 H ASP B 94 -6.210 4.663 2.366 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.926 2.804 3.651 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.063 4.782 1.407 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.280 3.522 1.419 1.00 0.00 H new ATOM 2195 N LEU B 95 -6.614 1.910 0.802 1.00 0.00 N ATOM 2196 CA LEU B 95 -6.427 0.768 -0.082 1.00 0.00 C ATOM 2197 C LEU B 95 -5.689 -0.332 0.662 1.00 0.00 C ATOM 2198 O LEU B 95 -5.846 -1.514 0.360 1.00 0.00 O ATOM 2199 CB LEU B 95 -5.672 1.160 -1.353 1.00 0.00 C ATOM 2200 CG LEU B 95 -5.859 0.205 -2.535 1.00 0.00 C ATOM 2201 CD1 LEU B 95 -7.332 0.078 -2.894 1.00 0.00 C ATOM 2202 CD2 LEU B 95 -5.058 0.679 -3.737 1.00 0.00 C ATOM 0 H LEU B 95 -6.044 2.724 0.574 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.408 0.403 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.993 2.157 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.609 1.224 -1.121 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.491 -0.778 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.444 -0.605 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.883 -0.309 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.726 1.057 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.204 -0.012 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.395 1.673 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.000 0.716 -3.477 1.00 0.00 H new ATOM 2214 N LEU B 96 -4.889 0.056 1.643 1.00 0.00 N ATOM 2215 CA LEU B 96 -4.171 -0.914 2.439 1.00 0.00 C ATOM 2216 C LEU B 96 -5.153 -1.658 3.329 1.00 0.00 C ATOM 2217 O LEU B 96 -5.211 -2.874 3.271 1.00 0.00 O ATOM 2218 CB LEU B 96 -3.067 -0.264 3.250 1.00 0.00 C ATOM 2219 CG LEU B 96 -1.719 -0.194 2.538 1.00 0.00 C ATOM 2220 CD1 LEU B 96 -0.699 0.509 3.406 1.00 0.00 C ATOM 2221 CD2 LEU B 96 -1.232 -1.585 2.167 1.00 0.00 C ATOM 0 H LEU B 96 -4.724 1.029 1.902 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.686 -1.627 1.773 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.376 0.747 3.517 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.944 -0.816 4.182 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.848 0.379 1.619 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.257 0.550 2.883 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -1.040 1.522 3.620 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.578 -0.038 4.341 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.270 -1.511 1.661 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.121 -2.185 3.070 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.955 -2.059 1.503 1.00 0.00 H new ATOM 2233 N GLN B 97 -5.936 -0.939 4.156 1.00 0.00 N ATOM 2234 CA GLN B 97 -6.962 -1.597 4.972 1.00 0.00 C ATOM 2235 C GLN B 97 -7.877 -2.448 4.089 1.00 0.00 C ATOM 2236 O GLN B 97 -8.573 -3.342 4.566 1.00 0.00 O ATOM 2237 CB GLN B 97 -7.788 -0.563 5.741 1.00 0.00 C ATOM 2238 CG GLN B 97 -7.897 0.772 5.051 1.00 0.00 C ATOM 2239 CD GLN B 97 -8.098 1.924 6.013 1.00 0.00 C ATOM 2240 OE1 GLN B 97 -8.710 2.934 5.676 1.00 0.00 O ATOM 2241 NE2 GLN B 97 -7.608 1.775 7.220 1.00 0.00 N ATOM 0 H GLN B 97 -5.878 0.073 4.273 1.00 0.00 H new ATOM 0 HA GLN B 97 -6.462 -2.245 5.692 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -8.790 -0.960 5.901 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -7.342 -0.416 6.725 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.993 0.947 4.468 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -8.730 0.744 4.348 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.105 0.922 7.465 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.730 2.512 7.914 1.00 0.00 H new ATOM 2250 N GLN B 98 -7.886 -2.133 2.803 1.00 0.00 N ATOM 2251 CA GLN B 98 -8.668 -2.863 1.826 1.00 0.00 C ATOM 2252 C GLN B 98 -7.990 -4.178 1.422 1.00 0.00 C ATOM 2253 O GLN B 98 -8.590 -5.245 1.515 1.00 0.00 O ATOM 2254 CB GLN B 98 -8.873 -1.992 0.585 1.00 0.00 C ATOM 2255 CG GLN B 98 -10.125 -1.143 0.639 1.00 0.00 C ATOM 2256 CD GLN B 98 -11.353 -1.937 0.273 1.00 0.00 C ATOM 2257 OE1 GLN B 98 -11.768 -1.962 -0.880 1.00 0.00 O ATOM 2258 NE2 GLN B 98 -11.927 -2.613 1.251 1.00 0.00 N ATOM 0 H GLN B 98 -7.348 -1.361 2.410 1.00 0.00 H new ATOM 0 HA GLN B 98 -9.629 -3.107 2.279 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -8.008 -1.341 0.462 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.917 -2.633 -0.295 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -10.243 -0.732 1.642 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -10.022 -0.298 -0.042 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.548 -2.563 2.197 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -12.750 -3.185 1.061 1.00 0.00 H new ATOM 2267 N LEU B 99 -6.738 -4.092 0.986 1.00 0.00 N ATOM 2268 CA LEU B 99 -5.995 -5.261 0.508 1.00 0.00 C ATOM 2269 C LEU B 99 -5.237 -6.033 1.598 1.00 0.00 C ATOM 2270 O LEU B 99 -5.144 -7.257 1.532 1.00 0.00 O ATOM 2271 CB LEU B 99 -5.009 -4.819 -0.570 1.00 0.00 C ATOM 2272 CG LEU B 99 -5.654 -4.142 -1.775 1.00 0.00 C ATOM 2273 CD1 LEU B 99 -4.668 -3.214 -2.464 1.00 0.00 C ATOM 2274 CD2 LEU B 99 -6.172 -5.182 -2.750 1.00 0.00 C ATOM 0 H LEU B 99 -6.210 -3.220 0.952 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.743 -5.952 0.118 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.288 -4.133 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.451 -5.690 -0.914 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.495 -3.545 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.150 -2.742 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.341 -2.446 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.805 -3.787 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.630 -4.684 -3.605 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.345 -5.804 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.915 -5.807 -2.254 1.00 0.00 H new ATOM 2286 N LEU B 100 -4.704 -5.321 2.585 1.00 0.00 N ATOM 2287 CA LEU B 100 -3.904 -5.927 3.660 1.00 0.00 C ATOM 2288 C LEU B 100 -4.521 -7.205 4.262 1.00 0.00 C ATOM 2289 O LEU B 100 -3.878 -8.252 4.237 1.00 0.00 O ATOM 2290 CB LEU B 100 -3.606 -4.901 4.771 1.00 0.00 C ATOM 2291 CG LEU B 100 -2.378 -4.016 4.518 1.00 0.00 C ATOM 2292 CD1 LEU B 100 -2.232 -2.935 5.593 1.00 0.00 C ATOM 2293 CD2 LEU B 100 -1.125 -4.870 4.451 1.00 0.00 C ATOM 0 H LEU B 100 -4.810 -4.310 2.669 1.00 0.00 H new ATOM 0 HA LEU B 100 -2.971 -6.236 3.188 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -4.478 -4.260 4.897 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -3.464 -5.435 5.711 1.00 0.00 H new ATOM 0 HG LEU B 100 -2.518 -3.512 3.562 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -1.352 -2.328 5.381 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -3.119 -2.301 5.594 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -2.121 -3.406 6.570 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -0.259 -4.232 4.271 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -0.995 -5.400 5.394 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -1.219 -5.591 3.639 1.00 0.00 H new