USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=28 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= 1.09 K(o=1.1,f=-2.3!) USER MOD Set 1.2: B 83 SER OG : rot 180:sc= 0 USER MOD Set 2.1: B 66 GLN :FLIP amide:sc= 0.771 F(o=-4.2,f=-0.073) USER MOD Set 2.2: B 76 ASN :FLIP amide:sc= -0.844 F(o=-4.2!,f=-0.073) USER MOD Set 3.1: B 56 SER OG : rot 138:sc= 0.272 USER MOD Set 3.2: B 64 GLN : amide:sc= -1.07 K(o=-0.8,f=-2.3!) USER MOD Set 4.1: B 45 HIS : no HD1:sc= -2.33! C(o=-2.2!,f=-2.9!) USER MOD Set 4.2: B 75 THR OG1 : rot -141:sc= 0.098 USER MOD Set 5.1: B 13 LYS NZ :NH3+ -148:sc= -0.114 (180deg=0) USER MOD Set 5.2: B 25 TYR OH : rot 150:sc= -0.129 USER MOD Set 6.1: A 414 LYS NZ :NH3+ 148:sc= 2.21 (180deg=-0.41) USER MOD Set 6.2: B 97 GLN : amide:sc= -7.26! C(o=-5!,f=-15!) USER MOD Single : B 14 LYS NZ :NH3+ 164:sc= 0.676! (180deg=-0.0368!) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.387 F(o=-1.2,f=-0.39) USER MOD Single : B 18 LYS NZ :NH3+ -140:sc= -0.0182 (180deg=-0.087) USER MOD Single : B 19 LYS NZ :NH3+ -148:sc= -0.396 (180deg=-1.46!) USER MOD Single : B 20 GLN : amide:sc= 0.216 X(o=0.22,f=0) USER MOD Single : B 27 MET CE :methyl 161:sc= -0.226 (180deg=-0.668) USER MOD Single : B 42 THR OG1 : rot -10:sc= 0.489 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl 149:sc= -0.31 (180deg=-1.28) USER MOD Single : B 47 TYR OH : rot 152:sc= 1.19 USER MOD Single : B 51 LYS NZ :NH3+ -152:sc= 2.19 (180deg=1.37) USER MOD Single : B 52 CYS SG : rot 145:sc= 1.28 USER MOD Single : B 53 GLN : amide:sc= -3.73! C(o=-3.7!,f=-9.8!) USER MOD Single : B 54 LYS NZ :NH3+ 169:sc= 0.74 (180deg=0.267!) USER MOD Single : B 60 LYS NZ :NH3+ -153:sc= 1.24 (180deg=0.741) USER MOD Single : B 62 LYS NZ :NH3+ -161:sc=-0.00702 (180deg=-0.0881) USER MOD Single : B 70 HIS : no HD1:sc= 0.481 K(o=0.48,f=-1.7!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS :FLIP no HD1:sc= -2.29 F(o=-3,f=-2.3) USER MOD Single : B 80 SER OG : rot 44:sc= 0.911 USER MOD Single : B 84 THR OG1 : rot 55:sc= 1.25 USER MOD Single : B 87 LYS NZ :NH3+ -178:sc= 1.31 (180deg=1.3) USER MOD Single : B 93 LYS NZ :NH3+ -154:sc= 2.25 (180deg=2) USER MOD Single : B 98 GLN : amide:sc= -2.68! C(o=-2.7!,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 229 N ASP A 405 9.920 9.476 11.436 1.00 0.00 N ATOM 230 CA ASP A 405 9.330 8.145 11.460 1.00 0.00 C ATOM 231 C ASP A 405 8.598 7.888 12.773 1.00 0.00 C ATOM 232 O ASP A 405 8.520 6.754 13.243 1.00 0.00 O ATOM 233 CB ASP A 405 10.405 7.067 11.226 1.00 0.00 C ATOM 234 CG ASP A 405 11.771 7.456 11.762 1.00 0.00 C ATOM 235 OD1 ASP A 405 11.961 7.431 12.993 1.00 0.00 O ATOM 236 OD2 ASP A 405 12.658 7.814 10.954 1.00 0.00 O ATOM 0 HA ASP A 405 8.602 8.092 10.651 1.00 0.00 H new ATOM 0 HB2 ASP A 405 10.087 6.138 11.700 1.00 0.00 H new ATOM 0 HB3 ASP A 405 10.485 6.869 10.157 1.00 0.00 H new ATOM 241 N GLU A 406 8.035 8.943 13.344 1.00 0.00 N ATOM 242 CA GLU A 406 7.305 8.827 14.595 1.00 0.00 C ATOM 243 C GLU A 406 5.906 9.424 14.502 1.00 0.00 C ATOM 244 O GLU A 406 5.550 10.047 13.504 1.00 0.00 O ATOM 245 CB GLU A 406 8.062 9.517 15.728 1.00 0.00 C ATOM 246 CG GLU A 406 8.748 10.813 15.322 1.00 0.00 C ATOM 247 CD GLU A 406 10.230 10.813 15.639 1.00 0.00 C ATOM 248 OE1 GLU A 406 10.982 11.550 14.967 1.00 0.00 O ATOM 249 OE2 GLU A 406 10.655 10.060 16.541 1.00 0.00 O ATOM 0 H GLU A 406 8.070 9.887 12.960 1.00 0.00 H new ATOM 0 HA GLU A 406 7.213 7.761 14.803 1.00 0.00 H new ATOM 0 HB2 GLU A 406 7.366 9.727 16.540 1.00 0.00 H new ATOM 0 HB3 GLU A 406 8.812 8.830 16.120 1.00 0.00 H new ATOM 0 HG2 GLU A 406 8.609 10.974 14.253 1.00 0.00 H new ATOM 0 HG3 GLU A 406 8.271 11.648 15.835 1.00 0.00 H new ATOM 256 N ASP A 407 5.128 9.191 15.558 1.00 0.00 N ATOM 257 CA ASP A 407 3.766 9.696 15.707 1.00 0.00 C ATOM 258 C ASP A 407 2.772 9.056 14.759 1.00 0.00 C ATOM 259 O ASP A 407 1.641 9.501 14.682 1.00 0.00 O ATOM 260 CB ASP A 407 3.699 11.215 15.587 1.00 0.00 C ATOM 261 CG ASP A 407 4.484 11.929 16.671 1.00 0.00 C ATOM 262 OD1 ASP A 407 5.375 12.739 16.321 1.00 0.00 O ATOM 263 OD2 ASP A 407 4.216 11.681 17.861 1.00 0.00 O ATOM 0 H ASP A 407 5.436 8.631 16.353 1.00 0.00 H new ATOM 0 HA ASP A 407 3.474 9.411 16.718 1.00 0.00 H new ATOM 0 HB2 ASP A 407 4.082 11.514 14.611 1.00 0.00 H new ATOM 0 HB3 ASP A 407 2.657 11.532 15.631 1.00 0.00 H new ATOM 268 N PHE A 408 3.155 7.976 14.097 1.00 0.00 N ATOM 269 CA PHE A 408 2.258 7.324 13.150 1.00 0.00 C ATOM 270 C PHE A 408 1.124 6.630 13.869 1.00 0.00 C ATOM 271 O PHE A 408 1.328 5.845 14.799 1.00 0.00 O ATOM 272 CB PHE A 408 2.991 6.308 12.264 1.00 0.00 C ATOM 273 CG PHE A 408 3.962 6.906 11.291 1.00 0.00 C ATOM 274 CD1 PHE A 408 3.783 6.743 9.929 1.00 0.00 C ATOM 275 CD2 PHE A 408 5.056 7.622 11.733 1.00 0.00 C ATOM 276 CE1 PHE A 408 4.675 7.284 9.030 1.00 0.00 C ATOM 277 CE2 PHE A 408 5.949 8.167 10.839 1.00 0.00 C ATOM 278 CZ PHE A 408 5.759 7.998 9.488 1.00 0.00 C ATOM 0 H PHE A 408 4.069 7.535 14.194 1.00 0.00 H new ATOM 0 HA PHE A 408 1.858 8.111 12.511 1.00 0.00 H new ATOM 0 HB2 PHE A 408 3.526 5.608 12.905 1.00 0.00 H new ATOM 0 HB3 PHE A 408 2.251 5.731 11.709 1.00 0.00 H new ATOM 0 HD1 PHE A 408 2.933 6.184 9.566 1.00 0.00 H new ATOM 0 HD2 PHE A 408 5.213 7.756 12.793 1.00 0.00 H new ATOM 0 HE1 PHE A 408 4.524 7.148 7.969 1.00 0.00 H new ATOM 0 HE2 PHE A 408 6.799 8.728 11.199 1.00 0.00 H new ATOM 0 HZ PHE A 408 6.460 8.425 8.786 1.00 0.00 H new ATOM 288 N VAL A 409 -0.066 6.928 13.408 1.00 0.00 N ATOM 289 CA VAL A 409 -1.269 6.376 13.949 1.00 0.00 C ATOM 290 C VAL A 409 -1.568 5.078 13.253 1.00 0.00 C ATOM 291 O VAL A 409 -1.696 5.032 12.035 1.00 0.00 O ATOM 292 CB VAL A 409 -2.403 7.400 13.813 1.00 0.00 C ATOM 293 CG1 VAL A 409 -2.129 8.478 14.792 1.00 0.00 C ATOM 294 CG2 VAL A 409 -2.465 8.017 12.452 1.00 0.00 C ATOM 0 H VAL A 409 -0.221 7.573 12.633 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.158 6.159 15.011 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.352 6.892 13.986 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -2.913 9.233 14.731 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.106 8.059 15.798 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -1.166 8.937 14.568 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.286 8.733 12.414 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.526 8.530 12.242 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.628 7.239 11.707 1.00 0.00 H new ATOM 304 N GLU A 410 -1.627 4.023 14.033 1.00 0.00 N ATOM 305 CA GLU A 410 -1.847 2.703 13.496 1.00 0.00 C ATOM 306 C GLU A 410 -3.118 2.639 12.669 1.00 0.00 C ATOM 307 O GLU A 410 -4.213 2.956 13.136 1.00 0.00 O ATOM 308 CB GLU A 410 -1.873 1.671 14.614 1.00 0.00 C ATOM 309 CG GLU A 410 -1.587 0.256 14.143 1.00 0.00 C ATOM 310 CD GLU A 410 -0.581 -0.446 15.034 1.00 0.00 C ATOM 311 OE1 GLU A 410 0.051 -1.419 14.578 1.00 0.00 O ATOM 312 OE2 GLU A 410 -0.377 0.012 16.179 1.00 0.00 O ATOM 0 H GLU A 410 -1.525 4.056 15.047 1.00 0.00 H new ATOM 0 HA GLU A 410 -1.016 2.472 12.830 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -1.139 1.949 15.370 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -2.851 1.694 15.095 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -2.515 -0.315 14.125 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -1.209 0.283 13.121 1.00 0.00 H new ATOM 319 N VAL A 411 -2.934 2.238 11.434 1.00 0.00 N ATOM 320 CA VAL A 411 -4.006 2.109 10.485 1.00 0.00 C ATOM 321 C VAL A 411 -4.505 0.666 10.455 1.00 0.00 C ATOM 322 O VAL A 411 -3.766 -0.261 10.086 1.00 0.00 O ATOM 323 CB VAL A 411 -3.569 2.543 9.073 1.00 0.00 C ATOM 324 CG1 VAL A 411 -4.780 2.806 8.210 1.00 0.00 C ATOM 325 CG2 VAL A 411 -2.717 3.762 9.138 1.00 0.00 C ATOM 0 H VAL A 411 -2.019 1.989 11.057 1.00 0.00 H new ATOM 0 HA VAL A 411 -4.814 2.768 10.802 1.00 0.00 H new ATOM 0 HB VAL A 411 -2.986 1.735 8.631 1.00 0.00 H new ATOM 0 HG11 VAL A 411 -4.458 3.112 7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 411 -5.377 1.897 8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 411 -5.380 3.599 8.657 1.00 0.00 H new ATOM 0 HG21 VAL A 411 -2.419 4.052 8.130 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -3.279 4.575 9.598 1.00 0.00 H new ATOM 0 HG23 VAL A 411 -1.828 3.553 9.733 1.00 0.00 H new ATOM 335 N PRO A 412 -5.757 0.472 10.885 1.00 0.00 N ATOM 336 CA PRO A 412 -6.419 -0.837 10.929 1.00 0.00 C ATOM 337 C PRO A 412 -6.988 -1.233 9.573 1.00 0.00 C ATOM 338 O PRO A 412 -6.950 -0.444 8.634 1.00 0.00 O ATOM 339 CB PRO A 412 -7.558 -0.586 11.912 1.00 0.00 C ATOM 340 CG PRO A 412 -7.938 0.825 11.638 1.00 0.00 C ATOM 341 CD PRO A 412 -6.644 1.542 11.385 1.00 0.00 C ATOM 0 HA PRO A 412 -5.741 -1.644 11.208 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -8.392 -1.267 11.744 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -7.237 -0.723 12.944 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -8.601 0.893 10.775 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -8.470 1.260 12.484 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -6.763 2.341 10.653 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -6.252 1.998 12.294 1.00 0.00 H new ATOM 349 N GLU A 413 -7.497 -2.454 9.471 1.00 0.00 N ATOM 350 CA GLU A 413 -8.097 -2.935 8.230 1.00 0.00 C ATOM 351 C GLU A 413 -9.592 -2.613 8.215 1.00 0.00 C ATOM 352 O GLU A 413 -10.194 -2.412 9.272 1.00 0.00 O ATOM 353 CB GLU A 413 -7.890 -4.441 8.063 1.00 0.00 C ATOM 354 CG GLU A 413 -6.467 -4.905 8.324 1.00 0.00 C ATOM 355 CD GLU A 413 -6.227 -5.232 9.782 1.00 0.00 C ATOM 356 OE1 GLU A 413 -7.070 -5.927 10.383 1.00 0.00 O ATOM 357 OE2 GLU A 413 -5.196 -4.802 10.330 1.00 0.00 O ATOM 0 H GLU A 413 -7.507 -3.132 10.233 1.00 0.00 H new ATOM 0 HA GLU A 413 -7.606 -2.429 7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -8.562 -4.967 8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -8.173 -4.726 7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -6.258 -5.786 7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -5.770 -4.128 8.009 1.00 0.00 H new ATOM 364 N LYS A 414 -10.182 -2.552 7.025 1.00 0.00 N ATOM 365 CA LYS A 414 -11.602 -2.245 6.897 1.00 0.00 C ATOM 366 C LYS A 414 -12.374 -3.375 6.234 1.00 0.00 C ATOM 367 O LYS A 414 -13.532 -3.614 6.579 1.00 0.00 O ATOM 368 CB LYS A 414 -11.805 -0.935 6.148 1.00 0.00 C ATOM 369 CG LYS A 414 -11.792 0.272 7.066 1.00 0.00 C ATOM 370 CD LYS A 414 -10.826 1.332 6.587 1.00 0.00 C ATOM 371 CE LYS A 414 -11.457 2.250 5.558 1.00 0.00 C ATOM 372 NZ LYS A 414 -10.919 3.634 5.644 1.00 0.00 N ATOM 0 H LYS A 414 -9.701 -2.710 6.140 1.00 0.00 H new ATOM 0 HA LYS A 414 -12.001 -2.133 7.905 1.00 0.00 H new ATOM 0 HB2 LYS A 414 -11.021 -0.825 5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 414 -12.755 -0.970 5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 414 -12.795 0.694 7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 414 -11.518 -0.041 8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 414 -10.483 1.921 7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 414 -9.947 0.853 6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 414 -11.278 1.853 4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 414 -12.537 2.271 5.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 414 -10.914 4.064 4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 414 -11.518 4.200 6.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 414 -9.948 3.607 6.017 1.00 0.00 H new ATOM 786 N VAL B 8 -0.669 -2.692 -11.180 1.00 0.00 N ATOM 787 CA VAL B 8 -0.649 -1.508 -10.341 1.00 0.00 C ATOM 788 C VAL B 8 -2.055 -0.945 -10.199 1.00 0.00 C ATOM 789 O VAL B 8 -2.670 -0.532 -11.180 1.00 0.00 O ATOM 790 CB VAL B 8 0.276 -0.417 -10.919 1.00 0.00 C ATOM 791 CG1 VAL B 8 0.478 0.703 -9.911 1.00 0.00 C ATOM 792 CG2 VAL B 8 1.613 -1.010 -11.340 1.00 0.00 C ATOM 0 HA VAL B 8 -0.265 -1.805 -9.365 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.203 0.002 -11.804 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.133 1.463 -10.337 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.485 1.151 -9.666 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.931 0.300 -9.005 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.249 -0.223 -11.745 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.100 -1.461 -10.475 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.449 -1.772 -12.102 1.00 0.00 H new ATOM 802 N LEU B 9 -2.560 -0.943 -8.976 1.00 0.00 N ATOM 803 CA LEU B 9 -3.897 -0.443 -8.705 1.00 0.00 C ATOM 804 C LEU B 9 -3.852 1.017 -8.278 1.00 0.00 C ATOM 805 O LEU B 9 -4.781 1.778 -8.541 1.00 0.00 O ATOM 806 CB LEU B 9 -4.571 -1.266 -7.603 1.00 0.00 C ATOM 807 CG LEU B 9 -4.475 -2.786 -7.751 1.00 0.00 C ATOM 808 CD1 LEU B 9 -5.147 -3.470 -6.570 1.00 0.00 C ATOM 809 CD2 LEU B 9 -5.103 -3.248 -9.058 1.00 0.00 C ATOM 0 H LEU B 9 -2.062 -1.283 -8.153 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.474 -0.531 -9.626 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -4.131 -0.985 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.625 -0.990 -7.563 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.421 -3.062 -7.767 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.073 -4.551 -6.685 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.653 -3.169 -5.646 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.197 -3.180 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.021 -4.332 -9.138 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.154 -2.961 -9.078 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.584 -2.782 -9.896 1.00 0.00 H new ATOM 821 N LEU B 10 -2.771 1.410 -7.617 1.00 0.00 N ATOM 822 CA LEU B 10 -2.646 2.782 -7.144 1.00 0.00 C ATOM 823 C LEU B 10 -1.278 3.369 -7.456 1.00 0.00 C ATOM 824 O LEU B 10 -0.261 2.684 -7.359 1.00 0.00 O ATOM 825 CB LEU B 10 -2.903 2.839 -5.643 1.00 0.00 C ATOM 826 CG LEU B 10 -3.313 4.209 -5.115 1.00 0.00 C ATOM 827 CD1 LEU B 10 -4.717 4.571 -5.578 1.00 0.00 C ATOM 828 CD2 LEU B 10 -3.231 4.233 -3.602 1.00 0.00 C ATOM 0 H LEU B 10 -1.978 0.807 -7.398 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.390 3.380 -7.669 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.685 2.121 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.000 2.520 -5.122 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.623 4.952 -5.515 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.987 5.553 -5.188 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.747 4.592 -6.667 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.424 3.828 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.526 5.217 -3.237 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.899 3.477 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.208 4.022 -3.290 1.00 0.00 H new ATOM 840 N ILE B 11 -1.263 4.645 -7.819 1.00 0.00 N ATOM 841 CA ILE B 11 -0.029 5.340 -8.146 1.00 0.00 C ATOM 842 C ILE B 11 0.088 6.633 -7.342 1.00 0.00 C ATOM 843 O ILE B 11 -0.777 7.501 -7.419 1.00 0.00 O ATOM 844 CB ILE B 11 0.051 5.667 -9.655 1.00 0.00 C ATOM 845 CG1 ILE B 11 0.036 4.376 -10.479 1.00 0.00 C ATOM 846 CG2 ILE B 11 1.300 6.484 -9.960 1.00 0.00 C ATOM 847 CD1 ILE B 11 -0.003 4.607 -11.976 1.00 0.00 C ATOM 0 H ILE B 11 -2.101 5.222 -7.894 1.00 0.00 H new ATOM 0 HA ILE B 11 0.796 4.676 -7.889 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.820 6.262 -9.928 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.921 3.789 -10.234 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.830 3.781 -10.190 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.339 6.704 -11.027 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.271 7.417 -9.397 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.185 5.916 -9.674 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.012 3.647 -12.492 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.902 5.166 -12.235 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.877 5.174 -12.280 1.00 0.00 H new ATOM 859 N VAL B 12 1.158 6.736 -6.565 1.00 0.00 N ATOM 860 CA VAL B 12 1.421 7.910 -5.740 1.00 0.00 C ATOM 861 C VAL B 12 2.675 8.613 -6.247 1.00 0.00 C ATOM 862 O VAL B 12 3.600 7.956 -6.739 1.00 0.00 O ATOM 863 CB VAL B 12 1.628 7.514 -4.266 1.00 0.00 C ATOM 864 CG1 VAL B 12 1.439 8.715 -3.359 1.00 0.00 C ATOM 865 CG2 VAL B 12 0.683 6.391 -3.875 1.00 0.00 C ATOM 0 H VAL B 12 1.869 6.009 -6.488 1.00 0.00 H new ATOM 0 HA VAL B 12 0.560 8.576 -5.805 1.00 0.00 H new ATOM 0 HB VAL B 12 2.650 7.155 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.589 8.415 -2.322 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.162 9.487 -3.622 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.429 9.107 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.845 6.126 -2.830 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.348 6.719 -4.010 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.872 5.521 -4.504 1.00 0.00 H new ATOM 875 N LYS B 13 2.724 9.933 -6.134 1.00 0.00 N ATOM 876 CA LYS B 13 3.879 10.677 -6.612 1.00 0.00 C ATOM 877 C LYS B 13 4.597 11.405 -5.483 1.00 0.00 C ATOM 878 O LYS B 13 4.018 11.668 -4.432 1.00 0.00 O ATOM 879 CB LYS B 13 3.464 11.663 -7.707 1.00 0.00 C ATOM 880 CG LYS B 13 3.040 10.984 -9.001 1.00 0.00 C ATOM 881 CD LYS B 13 4.119 10.038 -9.513 1.00 0.00 C ATOM 882 CE LYS B 13 3.601 9.153 -10.636 1.00 0.00 C ATOM 883 NZ LYS B 13 4.574 8.085 -10.997 1.00 0.00 N ATOM 0 H LYS B 13 1.987 10.504 -5.721 1.00 0.00 H new ATOM 0 HA LYS B 13 4.581 9.956 -7.031 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.641 12.277 -7.341 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.296 12.336 -7.914 1.00 0.00 H new ATOM 0 HG2 LYS B 13 2.116 10.429 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS B 13 2.828 11.740 -9.757 1.00 0.00 H new ATOM 0 HD2 LYS B 13 4.972 10.616 -9.869 1.00 0.00 H new ATOM 0 HD3 LYS B 13 4.476 9.415 -8.693 1.00 0.00 H new ATOM 0 HE2 LYS B 13 2.658 8.698 -10.333 1.00 0.00 H new ATOM 0 HE3 LYS B 13 3.392 9.765 -11.513 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 4.494 7.871 -12.012 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 5.539 8.409 -10.786 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 4.369 7.228 -10.445 1.00 0.00 H new ATOM 897 N LYS B 14 5.870 11.721 -5.736 1.00 0.00 N ATOM 898 CA LYS B 14 6.735 12.415 -4.787 1.00 0.00 C ATOM 899 C LYS B 14 6.651 11.820 -3.385 1.00 0.00 C ATOM 900 O LYS B 14 6.234 12.479 -2.432 1.00 0.00 O ATOM 901 CB LYS B 14 6.396 13.899 -4.780 1.00 0.00 C ATOM 902 CG LYS B 14 7.204 14.705 -5.787 1.00 0.00 C ATOM 903 CD LYS B 14 7.929 15.862 -5.121 1.00 0.00 C ATOM 904 CE LYS B 14 6.990 17.023 -4.841 1.00 0.00 C ATOM 905 NZ LYS B 14 7.444 17.832 -3.681 1.00 0.00 N ATOM 0 H LYS B 14 6.332 11.498 -6.618 1.00 0.00 H new ATOM 0 HA LYS B 14 7.767 12.285 -5.111 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.334 14.023 -4.993 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.569 14.300 -3.781 1.00 0.00 H new ATOM 0 HG2 LYS B 14 7.928 14.055 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.542 15.088 -6.563 1.00 0.00 H new ATOM 0 HD2 LYS B 14 8.377 15.522 -4.187 1.00 0.00 H new ATOM 0 HD3 LYS B 14 8.744 16.199 -5.762 1.00 0.00 H new ATOM 0 HE2 LYS B 14 6.924 17.659 -5.724 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.987 16.641 -4.648 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 6.952 18.748 -3.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 7.228 17.325 -2.799 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 8.470 17.990 -3.748 1.00 0.00 H new ATOM 919 N VAL B 15 7.067 10.572 -3.276 1.00 0.00 N ATOM 920 CA VAL B 15 7.060 9.863 -2.010 1.00 0.00 C ATOM 921 C VAL B 15 8.488 9.538 -1.609 1.00 0.00 C ATOM 922 O VAL B 15 9.235 8.937 -2.381 1.00 0.00 O ATOM 923 CB VAL B 15 6.226 8.569 -2.091 1.00 0.00 C ATOM 924 CG1 VAL B 15 6.331 7.767 -0.802 1.00 0.00 C ATOM 925 CG2 VAL B 15 4.779 8.904 -2.395 1.00 0.00 C ATOM 0 H VAL B 15 7.418 10.022 -4.060 1.00 0.00 H new ATOM 0 HA VAL B 15 6.600 10.505 -1.259 1.00 0.00 H new ATOM 0 HB VAL B 15 6.624 7.953 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.733 6.860 -0.888 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.372 7.499 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.963 8.367 0.031 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.197 7.984 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.379 9.540 -1.605 1.00 0.00 H new ATOM 0 HG23 VAL B 15 4.720 9.429 -3.348 1.00 0.00 H new ATOM 935 N ARG B 16 8.862 9.934 -0.409 1.00 0.00 N ATOM 936 CA ARG B 16 10.209 9.713 0.079 1.00 0.00 C ATOM 937 C ARG B 16 10.282 8.579 1.088 1.00 0.00 C ATOM 938 O ARG B 16 9.439 8.463 1.974 1.00 0.00 O ATOM 939 CB ARG B 16 10.745 10.989 0.717 1.00 0.00 C ATOM 940 CG ARG B 16 11.038 12.083 -0.286 1.00 0.00 C ATOM 941 CD ARG B 16 11.410 13.380 0.401 1.00 0.00 C ATOM 942 NE ARG B 16 12.362 14.151 -0.386 1.00 0.00 N ATOM 943 CZ ARG B 16 13.441 14.737 0.126 1.00 0.00 C ATOM 944 NH1 ARG B 16 13.701 14.640 1.423 1.00 0.00 N ATOM 945 NH2 ARG B 16 14.266 15.413 -0.658 1.00 0.00 N ATOM 0 H ARG B 16 8.248 10.413 0.250 1.00 0.00 H new ATOM 0 HA ARG B 16 10.819 9.433 -0.780 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.020 11.356 1.443 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.657 10.756 1.267 1.00 0.00 H new ATOM 0 HG2 ARG B 16 11.852 11.770 -0.940 1.00 0.00 H new ATOM 0 HG3 ARG B 16 10.164 12.242 -0.918 1.00 0.00 H new ATOM 0 HD2 ARG B 16 10.511 13.974 0.569 1.00 0.00 H new ATOM 0 HD3 ARG B 16 11.837 13.164 1.380 1.00 0.00 H new ATOM 0 HE ARG B 16 12.192 14.247 -1.387 1.00 0.00 H new ATOM 0 HH11 ARG B 16 13.073 14.115 2.031 1.00 0.00 H new ATOM 0 HH12 ARG B 16 14.529 15.091 1.812 1.00 0.00 H new ATOM 0 HH21 ARG B 16 14.075 15.486 -1.657 1.00 0.00 H new ATOM 0 HH22 ARG B 16 15.093 15.861 -0.263 1.00 0.00 H new ATOM 959 N GLN B 17 11.296 7.749 0.938 1.00 0.00 N ATOM 960 CA GLN B 17 11.526 6.645 1.843 1.00 0.00 C ATOM 961 C GLN B 17 12.895 6.818 2.492 1.00 0.00 C ATOM 962 O GLN B 17 13.915 6.545 1.867 1.00 0.00 O ATOM 963 CB GLN B 17 11.467 5.314 1.081 1.00 0.00 C ATOM 964 CG GLN B 17 10.943 4.143 1.904 1.00 0.00 C ATOM 965 CD GLN B 17 11.923 3.654 2.958 1.00 0.00 C ATOM 966 OE1 GLN B 17 13.210 3.699 2.647 1.00 0.00 O flip ATOM 967 NE2 GLN B 17 11.525 3.234 4.044 1.00 0.00 N flip ATOM 0 H GLN B 17 11.981 7.823 0.186 1.00 0.00 H new ATOM 0 HA GLN B 17 10.753 6.634 2.612 1.00 0.00 H new ATOM 0 HB2 GLN B 17 10.833 5.439 0.203 1.00 0.00 H new ATOM 0 HB3 GLN B 17 12.466 5.071 0.720 1.00 0.00 H new ATOM 0 HG2 GLN B 17 10.015 4.439 2.392 1.00 0.00 H new ATOM 0 HG3 GLN B 17 10.701 3.318 1.234 1.00 0.00 H new ATOM 0 HE21 GLN B 17 10.526 3.214 4.248 1.00 0.00 H new ATOM 0 HE22 GLN B 17 12.194 2.905 4.740 1.00 0.00 H new ATOM 976 N LYS B 18 12.894 7.275 3.743 1.00 0.00 N ATOM 977 CA LYS B 18 14.116 7.482 4.522 1.00 0.00 C ATOM 978 C LYS B 18 15.280 8.087 3.726 1.00 0.00 C ATOM 979 O LYS B 18 16.272 7.405 3.452 1.00 0.00 O ATOM 980 CB LYS B 18 14.525 6.196 5.225 1.00 0.00 C ATOM 981 CG LYS B 18 13.920 6.067 6.619 1.00 0.00 C ATOM 982 CD LYS B 18 14.861 6.577 7.711 1.00 0.00 C ATOM 983 CE LYS B 18 15.243 8.046 7.528 1.00 0.00 C ATOM 984 NZ LYS B 18 14.122 8.980 7.830 1.00 0.00 N ATOM 0 H LYS B 18 12.041 7.514 4.249 1.00 0.00 H new ATOM 0 HA LYS B 18 13.871 8.235 5.271 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.218 5.343 4.620 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.612 6.158 5.301 1.00 0.00 H new ATOM 0 HG2 LYS B 18 12.984 6.625 6.659 1.00 0.00 H new ATOM 0 HG3 LYS B 18 13.677 5.022 6.811 1.00 0.00 H new ATOM 0 HD2 LYS B 18 14.385 6.449 8.683 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.766 5.969 7.717 1.00 0.00 H new ATOM 0 HE2 LYS B 18 16.088 8.280 8.176 1.00 0.00 H new ATOM 0 HE3 LYS B 18 15.575 8.205 6.502 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 14.119 9.755 7.136 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.219 8.467 7.779 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 14.244 9.371 8.786 1.00 0.00 H new ATOM 998 N LYS B 19 15.109 9.353 3.322 1.00 0.00 N ATOM 999 CA LYS B 19 16.118 10.111 2.578 1.00 0.00 C ATOM 1000 C LYS B 19 16.218 9.705 1.110 1.00 0.00 C ATOM 1001 O LYS B 19 17.248 9.910 0.470 1.00 0.00 O ATOM 1002 CB LYS B 19 17.463 9.969 3.272 1.00 0.00 C ATOM 1003 CG LYS B 19 17.735 11.036 4.319 1.00 0.00 C ATOM 1004 CD LYS B 19 17.721 12.427 3.712 1.00 0.00 C ATOM 1005 CE LYS B 19 17.072 13.430 4.648 1.00 0.00 C ATOM 1006 NZ LYS B 19 15.718 12.986 5.074 1.00 0.00 N ATOM 0 H LYS B 19 14.257 9.883 3.506 1.00 0.00 H new ATOM 0 HA LYS B 19 15.806 11.156 2.575 1.00 0.00 H new ATOM 0 HB2 LYS B 19 17.514 8.989 3.746 1.00 0.00 H new ATOM 0 HB3 LYS B 19 18.253 10.002 2.521 1.00 0.00 H new ATOM 0 HG2 LYS B 19 16.984 10.974 5.107 1.00 0.00 H new ATOM 0 HG3 LYS B 19 18.703 10.851 4.786 1.00 0.00 H new ATOM 0 HD2 LYS B 19 18.741 12.740 3.491 1.00 0.00 H new ATOM 0 HD3 LYS B 19 17.181 12.408 2.765 1.00 0.00 H new ATOM 0 HE2 LYS B 19 17.703 13.570 5.526 1.00 0.00 H new ATOM 0 HE3 LYS B 19 16.999 14.397 4.151 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 15.111 13.817 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 15.303 12.382 4.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 15.792 12.448 5.961 1.00 0.00 H new ATOM 1020 N GLN B 20 15.146 9.150 0.574 1.00 0.00 N ATOM 1021 CA GLN B 20 15.118 8.741 -0.825 1.00 0.00 C ATOM 1022 C GLN B 20 13.801 9.165 -1.460 1.00 0.00 C ATOM 1023 O GLN B 20 12.743 8.726 -1.033 1.00 0.00 O ATOM 1024 CB GLN B 20 15.297 7.225 -0.944 1.00 0.00 C ATOM 1025 CG GLN B 20 16.694 6.744 -0.589 1.00 0.00 C ATOM 1026 CD GLN B 20 16.703 5.324 -0.059 1.00 0.00 C ATOM 1027 OE1 GLN B 20 16.800 4.362 -0.820 1.00 0.00 O ATOM 1028 NE2 GLN B 20 16.598 5.182 1.254 1.00 0.00 N ATOM 0 H GLN B 20 14.281 8.971 1.084 1.00 0.00 H new ATOM 0 HA GLN B 20 15.941 9.227 -1.349 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.576 6.731 -0.293 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.066 6.920 -1.965 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.330 6.803 -1.472 1.00 0.00 H new ATOM 0 HG3 GLN B 20 17.125 7.410 0.159 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.520 6.005 1.851 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.596 4.250 1.668 1.00 0.00 H new ATOM 1037 N ASP B 21 13.868 10.030 -2.460 1.00 0.00 N ATOM 1038 CA ASP B 21 12.664 10.512 -3.138 1.00 0.00 C ATOM 1039 C ASP B 21 12.268 9.555 -4.256 1.00 0.00 C ATOM 1040 O ASP B 21 13.115 8.838 -4.792 1.00 0.00 O ATOM 1041 CB ASP B 21 12.889 11.918 -3.705 1.00 0.00 C ATOM 1042 CG ASP B 21 11.682 12.822 -3.527 1.00 0.00 C ATOM 1043 OD1 ASP B 21 11.853 13.943 -2.990 1.00 0.00 O ATOM 1044 OD2 ASP B 21 10.563 12.412 -3.903 1.00 0.00 O ATOM 0 H ASP B 21 14.740 10.415 -2.823 1.00 0.00 H new ATOM 0 HA ASP B 21 11.855 10.558 -2.409 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.751 12.369 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP B 21 13.129 11.843 -4.766 1.00 0.00 H new ATOM 1049 N GLY B 22 10.984 9.510 -4.586 1.00 0.00 N ATOM 1050 CA GLY B 22 10.533 8.628 -5.642 1.00 0.00 C ATOM 1051 C GLY B 22 9.025 8.567 -5.767 1.00 0.00 C ATOM 1052 O GLY B 22 8.322 9.530 -5.463 1.00 0.00 O ATOM 0 H GLY B 22 10.251 10.065 -4.144 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.956 8.961 -6.590 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.916 7.625 -5.457 1.00 0.00 H new ATOM 1056 N ALA B 23 8.527 7.430 -6.231 1.00 0.00 N ATOM 1057 CA ALA B 23 7.095 7.226 -6.406 1.00 0.00 C ATOM 1058 C ALA B 23 6.654 5.888 -5.834 1.00 0.00 C ATOM 1059 O ALA B 23 7.379 4.896 -5.912 1.00 0.00 O ATOM 1060 CB ALA B 23 6.723 7.326 -7.878 1.00 0.00 C ATOM 0 H ALA B 23 9.099 6.628 -6.495 1.00 0.00 H new ATOM 0 HA ALA B 23 6.573 8.011 -5.858 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.650 7.171 -7.993 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.990 8.313 -8.254 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.262 6.565 -8.442 1.00 0.00 H new ATOM 1066 N LEU B 24 5.455 5.868 -5.272 1.00 0.00 N ATOM 1067 CA LEU B 24 4.906 4.660 -4.679 1.00 0.00 C ATOM 1068 C LEU B 24 3.834 4.067 -5.580 1.00 0.00 C ATOM 1069 O LEU B 24 3.021 4.789 -6.157 1.00 0.00 O ATOM 1070 CB LEU B 24 4.325 4.957 -3.296 1.00 0.00 C ATOM 1071 CG LEU B 24 3.856 3.724 -2.524 1.00 0.00 C ATOM 1072 CD1 LEU B 24 5.027 3.029 -1.852 1.00 0.00 C ATOM 1073 CD2 LEU B 24 2.797 4.103 -1.502 1.00 0.00 C ATOM 0 H LEU B 24 4.841 6.680 -5.215 1.00 0.00 H new ATOM 0 HA LEU B 24 5.713 3.935 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU B 24 5.079 5.475 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.483 5.640 -3.409 1.00 0.00 H new ATOM 0 HG LEU B 24 3.412 3.027 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU B 24 4.668 2.155 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU B 24 5.747 2.716 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU B 24 5.507 3.717 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.476 3.212 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.213 4.823 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU B 24 1.942 4.546 -2.012 1.00 0.00 H new ATOM 1085 N TYR B 25 3.853 2.754 -5.713 1.00 0.00 N ATOM 1086 CA TYR B 25 2.888 2.050 -6.544 1.00 0.00 C ATOM 1087 C TYR B 25 2.251 0.892 -5.780 1.00 0.00 C ATOM 1088 O TYR B 25 2.942 -0.024 -5.330 1.00 0.00 O ATOM 1089 CB TYR B 25 3.564 1.524 -7.815 1.00 0.00 C ATOM 1090 CG TYR B 25 4.195 2.606 -8.665 1.00 0.00 C ATOM 1091 CD1 TYR B 25 5.534 2.947 -8.509 1.00 0.00 C ATOM 1092 CD2 TYR B 25 3.453 3.290 -9.617 1.00 0.00 C ATOM 1093 CE1 TYR B 25 6.112 3.938 -9.278 1.00 0.00 C ATOM 1094 CE2 TYR B 25 4.024 4.281 -10.392 1.00 0.00 C ATOM 1095 CZ TYR B 25 5.353 4.602 -10.218 1.00 0.00 C ATOM 1096 OH TYR B 25 5.925 5.594 -10.984 1.00 0.00 O ATOM 0 H TYR B 25 4.531 2.147 -5.253 1.00 0.00 H new ATOM 0 HA TYR B 25 2.104 2.755 -6.820 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.331 0.802 -7.535 1.00 0.00 H new ATOM 0 HB3 TYR B 25 2.826 0.990 -8.413 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.132 2.428 -7.774 1.00 0.00 H new ATOM 0 HD2 TYR B 25 2.411 3.043 -9.755 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.153 4.191 -9.144 1.00 0.00 H new ATOM 0 HE2 TYR B 25 3.432 4.801 -11.130 1.00 0.00 H new ATOM 0 HH TYR B 25 5.480 5.631 -11.856 1.00 0.00 H new ATOM 1106 N LEU B 26 0.934 0.945 -5.621 1.00 0.00 N ATOM 1107 CA LEU B 26 0.210 -0.114 -4.932 1.00 0.00 C ATOM 1108 C LEU B 26 -0.198 -1.167 -5.940 1.00 0.00 C ATOM 1109 O LEU B 26 -0.779 -0.845 -6.974 1.00 0.00 O ATOM 1110 CB LEU B 26 -1.037 0.412 -4.220 1.00 0.00 C ATOM 1111 CG LEU B 26 -0.782 1.388 -3.075 1.00 0.00 C ATOM 1112 CD1 LEU B 26 -1.926 1.343 -2.076 1.00 0.00 C ATOM 1113 CD2 LEU B 26 0.531 1.085 -2.386 1.00 0.00 C ATOM 0 H LEU B 26 0.348 1.708 -5.959 1.00 0.00 H new ATOM 0 HA LEU B 26 0.871 -0.536 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.674 0.902 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.597 -0.438 -3.831 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.721 2.393 -3.494 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.729 2.045 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.856 1.617 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.015 0.335 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.688 1.795 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.505 0.073 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.347 1.169 -3.104 1.00 0.00 H new ATOM 1125 N MET B 27 0.100 -2.416 -5.649 1.00 0.00 N ATOM 1126 CA MET B 27 -0.230 -3.490 -6.560 1.00 0.00 C ATOM 1127 C MET B 27 -1.249 -4.425 -5.930 1.00 0.00 C ATOM 1128 O MET B 27 -1.401 -4.459 -4.710 1.00 0.00 O ATOM 1129 CB MET B 27 1.021 -4.269 -6.945 1.00 0.00 C ATOM 1130 CG MET B 27 2.290 -3.435 -6.920 1.00 0.00 C ATOM 1131 SD MET B 27 3.670 -4.242 -7.741 1.00 0.00 S ATOM 1132 CE MET B 27 3.809 -3.191 -9.177 1.00 0.00 C ATOM 0 H MET B 27 0.568 -2.711 -4.792 1.00 0.00 H new ATOM 0 HA MET B 27 -0.661 -3.053 -7.461 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.137 -5.112 -6.264 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.888 -4.682 -7.945 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.098 -2.475 -7.400 1.00 0.00 H new ATOM 0 HG3 MET B 27 2.561 -3.225 -5.885 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.795 -3.316 -9.625 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.043 -3.464 -9.903 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.674 -2.151 -8.881 1.00 0.00 H new ATOM 1142 N ALA B 28 -1.910 -5.198 -6.776 1.00 0.00 N ATOM 1143 CA ALA B 28 -2.950 -6.134 -6.354 1.00 0.00 C ATOM 1144 C ALA B 28 -2.531 -7.039 -5.189 1.00 0.00 C ATOM 1145 O ALA B 28 -3.336 -7.309 -4.292 1.00 0.00 O ATOM 1146 CB ALA B 28 -3.382 -6.980 -7.541 1.00 0.00 C ATOM 0 H ALA B 28 -1.742 -5.197 -7.782 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.782 -5.533 -5.986 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -4.158 -7.678 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.773 -6.333 -8.326 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.526 -7.536 -7.922 1.00 0.00 H new ATOM 1152 N GLU B 29 -1.285 -7.505 -5.189 1.00 0.00 N ATOM 1153 CA GLU B 29 -0.828 -8.404 -4.133 1.00 0.00 C ATOM 1154 C GLU B 29 0.300 -7.806 -3.284 1.00 0.00 C ATOM 1155 O GLU B 29 0.706 -8.404 -2.278 1.00 0.00 O ATOM 1156 CB GLU B 29 -0.347 -9.734 -4.736 1.00 0.00 C ATOM 1157 CG GLU B 29 -1.188 -10.247 -5.901 1.00 0.00 C ATOM 1158 CD GLU B 29 -2.643 -10.463 -5.543 1.00 0.00 C ATOM 1159 OE1 GLU B 29 -3.517 -9.858 -6.193 1.00 0.00 O ATOM 1160 OE2 GLU B 29 -2.928 -11.221 -4.596 1.00 0.00 O ATOM 0 H GLU B 29 -0.584 -7.280 -5.895 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.684 -8.568 -3.479 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.682 -9.613 -5.074 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.338 -10.491 -3.951 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -1.126 -9.536 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.766 -11.186 -6.258 1.00 0.00 H new ATOM 1167 N ARG B 30 0.786 -6.618 -3.633 1.00 0.00 N ATOM 1168 CA ARG B 30 1.897 -6.044 -2.877 1.00 0.00 C ATOM 1169 C ARG B 30 2.015 -4.539 -3.055 1.00 0.00 C ATOM 1170 O ARG B 30 1.332 -3.943 -3.874 1.00 0.00 O ATOM 1171 CB ARG B 30 3.213 -6.712 -3.301 1.00 0.00 C ATOM 1172 CG ARG B 30 3.842 -6.123 -4.561 1.00 0.00 C ATOM 1173 CD ARG B 30 5.089 -6.892 -4.964 1.00 0.00 C ATOM 1174 NE ARG B 30 4.757 -8.199 -5.521 1.00 0.00 N ATOM 1175 CZ ARG B 30 5.411 -9.325 -5.257 1.00 0.00 C ATOM 1176 NH1 ARG B 30 6.461 -9.316 -4.441 1.00 0.00 N ATOM 1177 NH2 ARG B 30 5.016 -10.459 -5.823 1.00 0.00 N ATOM 0 H ARG B 30 0.443 -6.049 -4.407 1.00 0.00 H new ATOM 0 HA ARG B 30 1.695 -6.232 -1.822 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.927 -6.632 -2.482 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.031 -7.774 -3.463 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.119 -6.145 -5.376 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.096 -5.077 -4.389 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.652 -6.315 -5.698 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.735 -7.019 -4.096 1.00 0.00 H new ATOM 0 HE ARG B 30 3.964 -8.252 -6.160 1.00 0.00 H new ATOM 0 HH11 ARG B 30 6.768 -8.442 -4.014 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.959 -10.183 -4.242 1.00 0.00 H new ATOM 0 HH21 ARG B 30 4.216 -10.462 -6.455 1.00 0.00 H new ATOM 0 HH22 ARG B 30 5.513 -11.328 -5.625 1.00 0.00 H new ATOM 1191 N ILE B 31 2.888 -3.941 -2.265 1.00 0.00 N ATOM 1192 CA ILE B 31 3.152 -2.516 -2.328 1.00 0.00 C ATOM 1193 C ILE B 31 4.627 -2.311 -2.643 1.00 0.00 C ATOM 1194 O ILE B 31 5.495 -2.912 -2.003 1.00 0.00 O ATOM 1195 CB ILE B 31 2.781 -1.801 -1.003 1.00 0.00 C ATOM 1196 CG1 ILE B 31 3.343 -0.375 -0.979 1.00 0.00 C ATOM 1197 CG2 ILE B 31 3.286 -2.591 0.196 1.00 0.00 C ATOM 1198 CD1 ILE B 31 2.901 0.433 0.225 1.00 0.00 C ATOM 0 H ILE B 31 3.436 -4.433 -1.559 1.00 0.00 H new ATOM 0 HA ILE B 31 2.532 -2.078 -3.110 1.00 0.00 H new ATOM 0 HB ILE B 31 1.694 -1.743 -0.944 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.432 -0.423 -0.994 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.034 0.143 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.015 -2.071 1.115 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.835 -3.583 0.194 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.370 -2.685 0.139 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.337 1.430 0.174 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.814 0.512 0.231 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.233 -0.062 1.137 1.00 0.00 H new ATOM 1210 N ALA B 32 4.917 -1.498 -3.642 1.00 0.00 N ATOM 1211 CA ALA B 32 6.294 -1.257 -4.025 1.00 0.00 C ATOM 1212 C ALA B 32 6.577 0.226 -4.201 1.00 0.00 C ATOM 1213 O ALA B 32 5.690 1.009 -4.539 1.00 0.00 O ATOM 1214 CB ALA B 32 6.628 -2.019 -5.297 1.00 0.00 C ATOM 0 H ALA B 32 4.224 -0.998 -4.198 1.00 0.00 H new ATOM 0 HA ALA B 32 6.932 -1.618 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.665 -1.829 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.487 -3.087 -5.129 1.00 0.00 H new ATOM 0 HB3 ALA B 32 5.972 -1.689 -6.102 1.00 0.00 H new ATOM 1220 N TRP B 33 7.821 0.595 -3.963 1.00 0.00 N ATOM 1221 CA TRP B 33 8.257 1.972 -4.089 1.00 0.00 C ATOM 1222 C TRP B 33 9.495 2.034 -4.974 1.00 0.00 C ATOM 1223 O TRP B 33 10.428 1.241 -4.806 1.00 0.00 O ATOM 1224 CB TRP B 33 8.553 2.561 -2.705 1.00 0.00 C ATOM 1225 CG TRP B 33 9.102 3.956 -2.744 1.00 0.00 C ATOM 1226 CD1 TRP B 33 8.389 5.120 -2.795 1.00 0.00 C ATOM 1227 CD2 TRP B 33 10.483 4.330 -2.734 1.00 0.00 C ATOM 1228 NE1 TRP B 33 9.246 6.193 -2.821 1.00 0.00 N ATOM 1229 CE2 TRP B 33 10.535 5.734 -2.785 1.00 0.00 C ATOM 1230 CE3 TRP B 33 11.681 3.613 -2.688 1.00 0.00 C ATOM 1231 CZ2 TRP B 33 11.735 6.432 -2.794 1.00 0.00 C ATOM 1232 CZ3 TRP B 33 12.872 4.310 -2.695 1.00 0.00 C ATOM 1233 CH2 TRP B 33 12.891 5.705 -2.748 1.00 0.00 C ATOM 0 H TRP B 33 8.557 -0.051 -3.677 1.00 0.00 H new ATOM 0 HA TRP B 33 7.464 2.562 -4.548 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.636 2.558 -2.116 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.264 1.915 -2.190 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.311 5.187 -2.812 1.00 0.00 H new ATOM 0 HE1 TRP B 33 8.967 7.173 -2.861 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.675 2.534 -2.648 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 11.754 7.511 -2.836 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.805 3.767 -2.659 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.840 6.221 -2.753 1.00 0.00 H new ATOM 1244 N ALA B 34 9.493 2.963 -5.914 1.00 0.00 N ATOM 1245 CA ALA B 34 10.609 3.132 -6.826 1.00 0.00 C ATOM 1246 C ALA B 34 11.172 4.538 -6.712 1.00 0.00 C ATOM 1247 O ALA B 34 10.415 5.510 -6.682 1.00 0.00 O ATOM 1248 CB ALA B 34 10.175 2.850 -8.257 1.00 0.00 C ATOM 0 H ALA B 34 8.724 3.616 -6.066 1.00 0.00 H new ATOM 0 HA ALA B 34 11.389 2.420 -6.556 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.024 2.982 -8.927 1.00 0.00 H new ATOM 0 HB2 ALA B 34 9.809 1.826 -8.331 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.380 3.540 -8.539 1.00 0.00 H new ATOM 1254 N PRO B 35 12.503 4.664 -6.629 1.00 0.00 N ATOM 1255 CA PRO B 35 13.167 5.964 -6.520 1.00 0.00 C ATOM 1256 C PRO B 35 12.902 6.845 -7.742 1.00 0.00 C ATOM 1257 O PRO B 35 12.484 6.360 -8.797 1.00 0.00 O ATOM 1258 CB PRO B 35 14.655 5.611 -6.420 1.00 0.00 C ATOM 1259 CG PRO B 35 14.694 4.171 -6.036 1.00 0.00 C ATOM 1260 CD PRO B 35 13.463 3.551 -6.629 1.00 0.00 C ATOM 0 HA PRO B 35 12.804 6.537 -5.667 1.00 0.00 H new ATOM 0 HB2 PRO B 35 15.163 5.779 -7.369 1.00 0.00 H new ATOM 0 HB3 PRO B 35 15.157 6.230 -5.676 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.595 3.690 -6.417 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.705 4.056 -4.952 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.645 3.174 -7.636 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.107 2.710 -6.034 1.00 0.00 H new ATOM 1368 N THR B 42 13.024 -0.375 -5.204 1.00 0.00 N ATOM 1369 CA THR B 42 13.952 -0.762 -4.156 1.00 0.00 C ATOM 1370 C THR B 42 13.194 -1.327 -2.961 1.00 0.00 C ATOM 1371 O THR B 42 13.735 -2.094 -2.166 1.00 0.00 O ATOM 1372 CB THR B 42 14.813 0.432 -3.712 1.00 0.00 C ATOM 1373 OG1 THR B 42 14.073 1.649 -3.882 1.00 0.00 O ATOM 1374 CG2 THR B 42 16.104 0.500 -4.515 1.00 0.00 C ATOM 0 HA THR B 42 14.612 -1.531 -4.558 1.00 0.00 H new ATOM 0 HB THR B 42 15.069 0.301 -2.661 1.00 0.00 H new ATOM 0 HG1 THR B 42 13.255 1.466 -4.390 1.00 0.00 H new ATOM 0 HG21 THR B 42 16.695 1.353 -4.182 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.674 -0.417 -4.366 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.869 0.613 -5.573 1.00 0.00 H new ATOM 1382 N ILE B 43 11.932 -0.937 -2.847 1.00 0.00 N ATOM 1383 CA ILE B 43 11.078 -1.402 -1.766 1.00 0.00 C ATOM 1384 C ILE B 43 9.929 -2.224 -2.333 1.00 0.00 C ATOM 1385 O ILE B 43 9.171 -1.738 -3.169 1.00 0.00 O ATOM 1386 CB ILE B 43 10.499 -0.221 -0.950 1.00 0.00 C ATOM 1387 CG1 ILE B 43 11.624 0.634 -0.356 1.00 0.00 C ATOM 1388 CG2 ILE B 43 9.574 -0.729 0.148 1.00 0.00 C ATOM 1389 CD1 ILE B 43 12.478 -0.097 0.657 1.00 0.00 C ATOM 0 H ILE B 43 11.476 -0.295 -3.495 1.00 0.00 H new ATOM 0 HA ILE B 43 11.689 -2.014 -1.102 1.00 0.00 H new ATOM 0 HB ILE B 43 9.917 0.405 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.262 0.991 -1.165 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.188 1.513 0.118 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.178 0.117 0.710 1.00 0.00 H new ATOM 0 HG22 ILE B 43 8.750 -1.286 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.131 -1.382 0.820 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.252 0.573 1.032 1.00 0.00 H new ATOM 0 HD12 ILE B 43 11.854 -0.431 1.486 1.00 0.00 H new ATOM 0 HD13 ILE B 43 12.945 -0.961 0.184 1.00 0.00 H new ATOM 1401 N SER B 44 9.817 -3.470 -1.898 1.00 0.00 N ATOM 1402 CA SER B 44 8.755 -4.346 -2.361 1.00 0.00 C ATOM 1403 C SER B 44 8.270 -5.224 -1.215 1.00 0.00 C ATOM 1404 O SER B 44 8.995 -6.098 -0.741 1.00 0.00 O ATOM 1405 CB SER B 44 9.252 -5.212 -3.523 1.00 0.00 C ATOM 1406 OG SER B 44 8.172 -5.816 -4.219 1.00 0.00 O ATOM 0 H SER B 44 10.451 -3.897 -1.223 1.00 0.00 H new ATOM 0 HA SER B 44 7.922 -3.738 -2.714 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.834 -4.600 -4.212 1.00 0.00 H new ATOM 0 HB3 SER B 44 9.919 -5.985 -3.143 1.00 0.00 H new ATOM 0 HG SER B 44 8.521 -6.360 -4.955 1.00 0.00 H new ATOM 1412 N HIS B 45 7.053 -4.972 -0.759 1.00 0.00 N ATOM 1413 CA HIS B 45 6.474 -5.738 0.336 1.00 0.00 C ATOM 1414 C HIS B 45 5.120 -6.275 -0.050 1.00 0.00 C ATOM 1415 O HIS B 45 4.291 -5.556 -0.604 1.00 0.00 O ATOM 1416 CB HIS B 45 6.320 -4.874 1.590 1.00 0.00 C ATOM 1417 CG HIS B 45 7.607 -4.556 2.281 1.00 0.00 C ATOM 1418 ND1 HIS B 45 8.317 -5.459 3.037 1.00 0.00 N ATOM 1419 CD2 HIS B 45 8.302 -3.395 2.332 1.00 0.00 C ATOM 1420 CE1 HIS B 45 9.395 -4.832 3.519 1.00 0.00 C ATOM 1421 NE2 HIS B 45 9.436 -3.576 3.118 1.00 0.00 N ATOM 0 H HIS B 45 6.445 -4.242 -1.130 1.00 0.00 H new ATOM 0 HA HIS B 45 7.152 -6.565 0.549 1.00 0.00 H new ATOM 0 HB2 HIS B 45 5.828 -3.941 1.316 1.00 0.00 H new ATOM 0 HB3 HIS B 45 5.662 -5.387 2.291 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.021 -2.475 1.841 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.136 -5.294 4.154 1.00 0.00 H new ATOM 0 HE2 HIS B 45 10.150 -2.882 3.338 1.00 0.00 H new ATOM 1429 N MET B 46 4.895 -7.541 0.228 1.00 0.00 N ATOM 1430 CA MET B 46 3.619 -8.143 -0.061 1.00 0.00 C ATOM 1431 C MET B 46 2.731 -7.926 1.143 1.00 0.00 C ATOM 1432 O MET B 46 3.218 -7.840 2.268 1.00 0.00 O ATOM 1433 CB MET B 46 3.757 -9.634 -0.376 1.00 0.00 C ATOM 1434 CG MET B 46 4.576 -9.913 -1.626 1.00 0.00 C ATOM 1435 SD MET B 46 4.266 -11.547 -2.325 1.00 0.00 S ATOM 1436 CE MET B 46 2.520 -11.431 -2.713 1.00 0.00 C ATOM 0 H MET B 46 5.578 -8.168 0.652 1.00 0.00 H new ATOM 0 HA MET B 46 3.184 -7.681 -0.947 1.00 0.00 H new ATOM 0 HB2 MET B 46 4.221 -10.136 0.473 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.764 -10.066 -0.497 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.352 -9.155 -2.377 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.636 -9.822 -1.387 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.299 -12.048 -3.584 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.934 -11.780 -1.863 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.263 -10.394 -2.929 1.00 0.00 H new ATOM 1446 N TYR B 47 1.442 -7.810 0.920 1.00 0.00 N ATOM 1447 CA TYR B 47 0.515 -7.590 2.027 1.00 0.00 C ATOM 1448 C TYR B 47 0.530 -8.773 2.991 1.00 0.00 C ATOM 1449 O TYR B 47 0.126 -8.651 4.144 1.00 0.00 O ATOM 1450 CB TYR B 47 -0.900 -7.333 1.513 1.00 0.00 C ATOM 1451 CG TYR B 47 -0.975 -6.213 0.499 1.00 0.00 C ATOM 1452 CD1 TYR B 47 -0.370 -4.986 0.744 1.00 0.00 C ATOM 1453 CD2 TYR B 47 -1.647 -6.382 -0.704 1.00 0.00 C ATOM 1454 CE1 TYR B 47 -0.430 -3.963 -0.182 1.00 0.00 C ATOM 1455 CE2 TYR B 47 -1.713 -5.362 -1.633 1.00 0.00 C ATOM 1456 CZ TYR B 47 -1.103 -4.155 -1.366 1.00 0.00 C ATOM 1457 OH TYR B 47 -1.160 -3.139 -2.292 1.00 0.00 O ATOM 0 H TYR B 47 1.007 -7.862 -0.001 1.00 0.00 H new ATOM 0 HA TYR B 47 0.845 -6.704 2.569 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -1.287 -8.247 1.063 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -1.547 -7.094 2.357 1.00 0.00 H new ATOM 0 HD1 TYR B 47 0.156 -4.830 1.674 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.126 -7.326 -0.917 1.00 0.00 H new ATOM 0 HE1 TYR B 47 0.049 -3.017 0.023 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -2.240 -5.509 -2.564 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.246 -3.520 -3.191 1.00 0.00 H new ATOM 1467 N ALA B 48 1.033 -9.907 2.513 1.00 0.00 N ATOM 1468 CA ALA B 48 1.113 -11.117 3.320 1.00 0.00 C ATOM 1469 C ALA B 48 2.272 -11.052 4.310 1.00 0.00 C ATOM 1470 O ALA B 48 2.403 -11.919 5.170 1.00 0.00 O ATOM 1471 CB ALA B 48 1.257 -12.337 2.423 1.00 0.00 C ATOM 0 H ALA B 48 1.393 -10.012 1.564 1.00 0.00 H new ATOM 0 HA ALA B 48 0.189 -11.199 3.892 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.316 -13.235 3.037 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.394 -12.406 1.761 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.165 -12.245 1.827 1.00 0.00 H new ATOM 1477 N ASP B 49 3.114 -10.031 4.179 1.00 0.00 N ATOM 1478 CA ASP B 49 4.254 -9.865 5.077 1.00 0.00 C ATOM 1479 C ASP B 49 3.990 -8.722 6.049 1.00 0.00 C ATOM 1480 O ASP B 49 4.767 -8.484 6.979 1.00 0.00 O ATOM 1481 CB ASP B 49 5.549 -9.553 4.304 1.00 0.00 C ATOM 1482 CG ASP B 49 5.609 -10.144 2.906 1.00 0.00 C ATOM 1483 OD1 ASP B 49 5.927 -9.387 1.959 1.00 0.00 O ATOM 1484 OD2 ASP B 49 5.347 -11.354 2.748 1.00 0.00 O ATOM 0 H ASP B 49 3.030 -9.309 3.464 1.00 0.00 H new ATOM 0 HA ASP B 49 4.381 -10.805 5.613 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.662 -8.471 4.232 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.398 -9.925 4.878 1.00 0.00 H new ATOM 1489 N ILE B 50 2.885 -8.020 5.840 1.00 0.00 N ATOM 1490 CA ILE B 50 2.545 -6.877 6.671 1.00 0.00 C ATOM 1491 C ILE B 50 1.578 -7.265 7.791 1.00 0.00 C ATOM 1492 O ILE B 50 0.593 -7.965 7.565 1.00 0.00 O ATOM 1493 CB ILE B 50 1.920 -5.748 5.828 1.00 0.00 C ATOM 1494 CG1 ILE B 50 2.826 -5.406 4.641 1.00 0.00 C ATOM 1495 CG2 ILE B 50 1.678 -4.519 6.689 1.00 0.00 C ATOM 1496 CD1 ILE B 50 2.165 -4.521 3.605 1.00 0.00 C ATOM 0 H ILE B 50 2.210 -8.223 5.102 1.00 0.00 H new ATOM 0 HA ILE B 50 3.474 -6.522 7.118 1.00 0.00 H new ATOM 0 HB ILE B 50 0.961 -6.091 5.440 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.723 -4.909 5.011 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.148 -6.331 4.163 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.236 -3.730 6.081 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.999 -4.773 7.503 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.625 -4.172 7.102 1.00 0.00 H new ATOM 0 HD11 ILE B 50 2.867 -4.322 2.795 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.284 -5.024 3.206 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.867 -3.580 4.067 1.00 0.00 H new ATOM 1508 N LYS B 51 1.862 -6.794 9.000 1.00 0.00 N ATOM 1509 CA LYS B 51 1.023 -7.084 10.158 1.00 0.00 C ATOM 1510 C LYS B 51 -0.064 -6.025 10.315 1.00 0.00 C ATOM 1511 O LYS B 51 -1.215 -6.337 10.623 1.00 0.00 O ATOM 1512 CB LYS B 51 1.886 -7.142 11.421 1.00 0.00 C ATOM 1513 CG LYS B 51 1.146 -7.618 12.659 1.00 0.00 C ATOM 1514 CD LYS B 51 2.104 -7.901 13.809 1.00 0.00 C ATOM 1515 CE LYS B 51 2.807 -6.638 14.287 1.00 0.00 C ATOM 1516 NZ LYS B 51 4.270 -6.674 14.011 1.00 0.00 N ATOM 0 H LYS B 51 2.671 -6.207 9.205 1.00 0.00 H new ATOM 0 HA LYS B 51 0.541 -8.050 10.006 1.00 0.00 H new ATOM 0 HB2 LYS B 51 2.732 -7.805 11.239 1.00 0.00 H new ATOM 0 HB3 LYS B 51 2.294 -6.150 11.614 1.00 0.00 H new ATOM 0 HG2 LYS B 51 0.423 -6.862 12.965 1.00 0.00 H new ATOM 0 HG3 LYS B 51 0.583 -8.521 12.423 1.00 0.00 H new ATOM 0 HD2 LYS B 51 1.554 -8.346 14.638 1.00 0.00 H new ATOM 0 HD3 LYS B 51 2.847 -8.632 13.491 1.00 0.00 H new ATOM 0 HE2 LYS B 51 2.367 -5.770 13.796 1.00 0.00 H new ATOM 0 HE3 LYS B 51 2.643 -6.515 15.358 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 4.770 -6.095 14.715 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 4.610 -7.656 14.066 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 4.453 -6.297 13.059 1.00 0.00 H new ATOM 1530 N CYS B 52 0.321 -4.775 10.114 1.00 0.00 N ATOM 1531 CA CYS B 52 -0.586 -3.639 10.215 1.00 0.00 C ATOM 1532 C CYS B 52 0.100 -2.424 9.622 1.00 0.00 C ATOM 1533 O CYS B 52 1.275 -2.503 9.256 1.00 0.00 O ATOM 1534 CB CYS B 52 -0.976 -3.370 11.672 1.00 0.00 C ATOM 1535 SG CYS B 52 0.327 -3.744 12.871 1.00 0.00 S ATOM 0 H CYS B 52 1.278 -4.516 9.874 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.502 -3.859 9.667 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -1.257 -2.322 11.773 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -1.859 -3.962 11.915 1.00 0.00 H new ATOM 0 HG CYS B 52 0.273 -2.891 13.851 1.00 0.00 H new ATOM 1541 N GLN B 53 -0.590 -1.302 9.518 1.00 0.00 N ATOM 1542 CA GLN B 53 0.020 -0.136 8.956 1.00 0.00 C ATOM 1543 C GLN B 53 -0.198 1.013 9.917 1.00 0.00 C ATOM 1544 O GLN B 53 -0.938 0.863 10.871 1.00 0.00 O ATOM 1545 CB GLN B 53 -0.600 0.129 7.582 1.00 0.00 C ATOM 1546 CG GLN B 53 -2.111 0.043 7.591 1.00 0.00 C ATOM 1547 CD GLN B 53 -2.756 0.826 6.474 1.00 0.00 C ATOM 1548 OE1 GLN B 53 -2.173 1.757 5.931 1.00 0.00 O ATOM 1549 NE2 GLN B 53 -3.985 0.473 6.149 1.00 0.00 N ATOM 0 H GLN B 53 -1.559 -1.185 9.814 1.00 0.00 H new ATOM 0 HA GLN B 53 1.093 -0.265 8.813 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.300 1.119 7.238 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.204 -0.591 6.866 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.410 -1.002 7.513 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.484 0.411 8.547 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.434 -0.309 6.626 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.486 0.982 5.421 1.00 0.00 H new ATOM 1558 N LYS B 54 0.509 2.103 9.730 1.00 0.00 N ATOM 1559 CA LYS B 54 0.348 3.285 10.559 1.00 0.00 C ATOM 1560 C LYS B 54 0.532 4.480 9.661 1.00 0.00 C ATOM 1561 O LYS B 54 1.031 4.345 8.550 1.00 0.00 O ATOM 1562 CB LYS B 54 1.376 3.344 11.696 1.00 0.00 C ATOM 1563 CG LYS B 54 1.703 2.005 12.324 1.00 0.00 C ATOM 1564 CD LYS B 54 1.660 2.080 13.836 1.00 0.00 C ATOM 1565 CE LYS B 54 2.352 0.883 14.460 1.00 0.00 C ATOM 1566 NZ LYS B 54 2.094 0.782 15.921 1.00 0.00 N ATOM 0 H LYS B 54 1.214 2.200 8.999 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.638 3.265 11.024 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.296 3.785 11.313 1.00 0.00 H new ATOM 0 HB3 LYS B 54 1.002 4.012 12.472 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.994 1.255 11.975 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.693 1.682 12.002 1.00 0.00 H new ATOM 0 HD2 LYS B 54 2.141 2.999 14.172 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.624 2.122 14.172 1.00 0.00 H new ATOM 0 HE2 LYS B 54 2.011 -0.028 13.969 1.00 0.00 H new ATOM 0 HE3 LYS B 54 3.426 0.955 14.287 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.425 -0.140 16.269 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 2.602 1.542 16.417 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.074 0.874 16.100 1.00 0.00 H new ATOM 1580 N ILE B 55 0.115 5.630 10.113 1.00 0.00 N ATOM 1581 CA ILE B 55 0.246 6.832 9.300 1.00 0.00 C ATOM 1582 C ILE B 55 0.634 8.019 10.139 1.00 0.00 C ATOM 1583 O ILE B 55 0.096 8.171 11.206 1.00 0.00 O ATOM 1584 CB ILE B 55 -1.111 7.181 8.653 1.00 0.00 C ATOM 1585 CG1 ILE B 55 -2.206 6.916 9.679 1.00 0.00 C ATOM 1586 CG2 ILE B 55 -1.348 6.383 7.384 1.00 0.00 C ATOM 1587 CD1 ILE B 55 -3.608 7.273 9.268 1.00 0.00 C ATOM 0 H ILE B 55 -0.315 5.772 11.027 1.00 0.00 H new ATOM 0 HA ILE B 55 1.011 6.627 8.551 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.116 8.231 8.362 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.184 5.857 9.936 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -1.965 7.469 10.587 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.313 6.656 6.957 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.559 6.601 6.665 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.343 5.318 7.617 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.296 7.039 10.080 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.661 8.338 9.043 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.884 6.701 8.382 1.00 0.00 H new ATOM 1599 N SER B 56 1.583 8.841 9.714 1.00 0.00 N ATOM 1600 CA SER B 56 1.850 10.032 10.486 1.00 0.00 C ATOM 1601 C SER B 56 0.640 10.904 10.229 1.00 0.00 C ATOM 1602 O SER B 56 0.449 11.392 9.094 1.00 0.00 O ATOM 1603 CB SER B 56 3.162 10.720 10.119 1.00 0.00 C ATOM 1604 OG SER B 56 3.487 10.514 8.774 1.00 0.00 O ATOM 0 H SER B 56 2.154 8.711 8.879 1.00 0.00 H new ATOM 0 HA SER B 56 1.990 9.806 11.543 1.00 0.00 H new ATOM 0 HB2 SER B 56 3.082 11.789 10.316 1.00 0.00 H new ATOM 0 HB3 SER B 56 3.964 10.339 10.751 1.00 0.00 H new ATOM 0 HG SER B 56 3.820 11.350 8.386 1.00 0.00 H new ATOM 1610 N PRO B 57 -0.189 11.026 11.293 1.00 0.00 N ATOM 1611 CA PRO B 57 -1.497 11.692 11.308 1.00 0.00 C ATOM 1612 C PRO B 57 -1.500 13.108 10.761 1.00 0.00 C ATOM 1613 O PRO B 57 -0.455 13.759 10.654 1.00 0.00 O ATOM 1614 CB PRO B 57 -1.865 11.748 12.800 1.00 0.00 C ATOM 1615 CG PRO B 57 -0.603 11.459 13.524 1.00 0.00 C ATOM 1616 CD PRO B 57 0.155 10.550 12.629 1.00 0.00 C ATOM 0 HA PRO B 57 -2.189 11.143 10.669 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -2.259 12.727 13.072 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -2.635 11.016 13.043 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -0.044 12.373 13.723 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -0.800 10.990 14.488 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.228 10.608 12.812 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -0.137 9.510 12.772 1.00 0.00 H new ATOM 1624 N GLU B 58 -2.692 13.575 10.427 1.00 0.00 N ATOM 1625 CA GLU B 58 -2.879 14.927 9.948 1.00 0.00 C ATOM 1626 C GLU B 58 -2.407 15.876 11.041 1.00 0.00 C ATOM 1627 O GLU B 58 -2.745 15.707 12.213 1.00 0.00 O ATOM 1628 CB GLU B 58 -4.351 15.196 9.581 1.00 0.00 C ATOM 1629 CG GLU B 58 -5.340 14.141 10.075 1.00 0.00 C ATOM 1630 CD GLU B 58 -5.316 12.864 9.249 1.00 0.00 C ATOM 1631 OE1 GLU B 58 -4.566 11.933 9.614 1.00 0.00 O ATOM 1632 OE2 GLU B 58 -6.029 12.788 8.230 1.00 0.00 O ATOM 0 H GLU B 58 -3.551 13.027 10.481 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.300 15.081 9.038 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.641 16.164 9.989 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.432 15.270 8.497 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.114 13.899 11.113 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -6.346 14.559 10.057 1.00 0.00 H new ATOM 1639 N GLY B 59 -1.626 16.863 10.660 1.00 0.00 N ATOM 1640 CA GLY B 59 -1.074 17.784 11.628 1.00 0.00 C ATOM 1641 C GLY B 59 0.430 17.638 11.687 1.00 0.00 C ATOM 1642 O GLY B 59 1.144 18.599 11.969 1.00 0.00 O ATOM 0 H GLY B 59 -1.360 17.048 9.693 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -1.337 18.807 11.359 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -1.504 17.592 12.611 1.00 0.00 H new ATOM 1646 N LYS B 60 0.911 16.420 11.430 1.00 0.00 N ATOM 1647 CA LYS B 60 2.343 16.172 11.385 1.00 0.00 C ATOM 1648 C LYS B 60 2.876 16.881 10.150 1.00 0.00 C ATOM 1649 O LYS B 60 2.209 16.896 9.116 1.00 0.00 O ATOM 1650 CB LYS B 60 2.661 14.664 11.301 1.00 0.00 C ATOM 1651 CG LYS B 60 2.711 13.937 12.645 1.00 0.00 C ATOM 1652 CD LYS B 60 4.049 14.128 13.359 1.00 0.00 C ATOM 1653 CE LYS B 60 4.922 12.871 13.330 1.00 0.00 C ATOM 1654 NZ LYS B 60 6.281 13.129 13.866 1.00 0.00 N ATOM 0 H LYS B 60 0.331 15.600 11.252 1.00 0.00 H new ATOM 0 HA LYS B 60 2.810 16.543 12.297 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.910 14.184 10.674 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.621 14.538 10.801 1.00 0.00 H new ATOM 0 HG2 LYS B 60 1.906 14.302 13.283 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.535 12.873 12.487 1.00 0.00 H new ATOM 0 HD2 LYS B 60 4.590 14.951 12.893 1.00 0.00 H new ATOM 0 HD3 LYS B 60 3.865 14.413 14.395 1.00 0.00 H new ATOM 0 HE2 LYS B 60 4.445 12.084 13.914 1.00 0.00 H new ATOM 0 HE3 LYS B 60 4.999 12.506 12.306 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 6.955 12.463 13.438 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 6.565 14.103 13.638 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 6.277 13.003 14.898 1.00 0.00 H new ATOM 1668 N ALA B 61 4.057 17.472 10.248 1.00 0.00 N ATOM 1669 CA ALA B 61 4.640 18.191 9.117 1.00 0.00 C ATOM 1670 C ALA B 61 4.918 17.256 7.946 1.00 0.00 C ATOM 1671 O ALA B 61 5.166 17.700 6.827 1.00 0.00 O ATOM 1672 CB ALA B 61 5.914 18.904 9.545 1.00 0.00 C ATOM 0 H ALA B 61 4.630 17.470 11.092 1.00 0.00 H new ATOM 0 HA ALA B 61 3.916 18.934 8.782 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.337 19.435 8.693 1.00 0.00 H new ATOM 0 HB2 ALA B 61 5.684 19.615 10.338 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.635 18.173 9.911 1.00 0.00 H new ATOM 1678 N LYS B 62 4.872 15.960 8.212 1.00 0.00 N ATOM 1679 CA LYS B 62 5.114 14.966 7.187 1.00 0.00 C ATOM 1680 C LYS B 62 4.001 13.930 7.180 1.00 0.00 C ATOM 1681 O LYS B 62 3.984 13.024 8.016 1.00 0.00 O ATOM 1682 CB LYS B 62 6.454 14.266 7.421 1.00 0.00 C ATOM 1683 CG LYS B 62 7.529 15.164 8.002 1.00 0.00 C ATOM 1684 CD LYS B 62 8.397 15.779 6.922 1.00 0.00 C ATOM 1685 CE LYS B 62 9.862 15.473 7.162 1.00 0.00 C ATOM 1686 NZ LYS B 62 10.357 16.062 8.436 1.00 0.00 N ATOM 0 H LYS B 62 4.668 15.574 9.134 1.00 0.00 H new ATOM 0 HA LYS B 62 5.140 15.475 6.224 1.00 0.00 H new ATOM 0 HB2 LYS B 62 6.298 13.422 8.093 1.00 0.00 H new ATOM 0 HB3 LYS B 62 6.809 13.858 6.474 1.00 0.00 H new ATOM 0 HG2 LYS B 62 7.063 15.956 8.588 1.00 0.00 H new ATOM 0 HG3 LYS B 62 8.153 14.588 8.685 1.00 0.00 H new ATOM 0 HD2 LYS B 62 8.097 15.395 5.947 1.00 0.00 H new ATOM 0 HD3 LYS B 62 8.246 16.858 6.900 1.00 0.00 H new ATOM 0 HE2 LYS B 62 10.007 14.393 7.182 1.00 0.00 H new ATOM 0 HE3 LYS B 62 10.453 15.859 6.331 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 11.395 16.115 8.414 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 9.964 17.018 8.552 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 10.058 15.465 9.234 1.00 0.00 H new ATOM 1700 N ILE B 63 3.059 14.081 6.263 1.00 0.00 N ATOM 1701 CA ILE B 63 1.965 13.132 6.132 1.00 0.00 C ATOM 1702 C ILE B 63 2.541 11.858 5.532 1.00 0.00 C ATOM 1703 O ILE B 63 2.919 11.840 4.362 1.00 0.00 O ATOM 1704 CB ILE B 63 0.848 13.709 5.236 1.00 0.00 C ATOM 1705 CG1 ILE B 63 0.440 15.091 5.751 1.00 0.00 C ATOM 1706 CG2 ILE B 63 -0.354 12.779 5.203 1.00 0.00 C ATOM 1707 CD1 ILE B 63 -0.080 16.018 4.676 1.00 0.00 C ATOM 0 H ILE B 63 3.030 14.853 5.597 1.00 0.00 H new ATOM 0 HA ILE B 63 1.517 12.924 7.104 1.00 0.00 H new ATOM 0 HB ILE B 63 1.227 13.803 4.218 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -0.328 14.971 6.515 1.00 0.00 H new ATOM 0 HG13 ILE B 63 1.300 15.556 6.233 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.128 13.207 4.565 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.053 11.809 4.807 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.745 12.653 6.213 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -0.348 16.977 5.120 1.00 0.00 H new ATOM 0 HD12 ILE B 63 0.693 16.171 3.922 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.960 15.576 4.209 1.00 0.00 H new ATOM 1719 N GLN B 64 2.635 10.794 6.325 1.00 0.00 N ATOM 1720 CA GLN B 64 3.278 9.572 5.824 1.00 0.00 C ATOM 1721 C GLN B 64 2.563 8.297 6.226 1.00 0.00 C ATOM 1722 O GLN B 64 1.640 8.308 7.034 1.00 0.00 O ATOM 1723 CB GLN B 64 4.717 9.458 6.337 1.00 0.00 C ATOM 1724 CG GLN B 64 5.531 10.736 6.298 1.00 0.00 C ATOM 1725 CD GLN B 64 6.760 10.645 7.180 1.00 0.00 C ATOM 1726 OE1 GLN B 64 7.817 10.196 6.745 1.00 0.00 O ATOM 1727 NE2 GLN B 64 6.625 11.061 8.428 1.00 0.00 N ATOM 0 H GLN B 64 2.290 10.746 7.284 1.00 0.00 H new ATOM 0 HA GLN B 64 3.243 9.668 4.739 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.689 9.098 7.365 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.235 8.701 5.748 1.00 0.00 H new ATOM 0 HG2 GLN B 64 5.834 10.943 5.272 1.00 0.00 H new ATOM 0 HG3 GLN B 64 4.911 11.572 6.622 1.00 0.00 H new ATOM 0 HE21 GLN B 64 5.729 11.427 8.749 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.417 11.016 9.069 1.00 0.00 H new ATOM 1736 N LEU B 65 3.005 7.204 5.618 1.00 0.00 N ATOM 1737 CA LEU B 65 2.492 5.879 5.910 1.00 0.00 C ATOM 1738 C LEU B 65 3.635 5.000 6.414 1.00 0.00 C ATOM 1739 O LEU B 65 4.762 5.098 5.927 1.00 0.00 O ATOM 1740 CB LEU B 65 1.886 5.236 4.668 1.00 0.00 C ATOM 1741 CG LEU B 65 1.128 3.937 4.939 1.00 0.00 C ATOM 1742 CD1 LEU B 65 -0.335 4.209 5.215 1.00 0.00 C ATOM 1743 CD2 LEU B 65 1.280 2.973 3.789 1.00 0.00 C ATOM 0 H LEU B 65 3.734 7.216 4.905 1.00 0.00 H new ATOM 0 HA LEU B 65 1.714 5.972 6.668 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.207 5.948 4.199 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.683 5.036 3.951 1.00 0.00 H new ATOM 0 HG LEU B 65 1.562 3.479 5.828 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.851 3.268 5.404 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.427 4.855 6.088 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.783 4.701 4.351 1.00 0.00 H new ATOM 0 HD21 LEU B 65 0.731 2.057 4.007 1.00 0.00 H new ATOM 0 HD22 LEU B 65 0.884 3.426 2.880 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.335 2.739 3.648 1.00 0.00 H new ATOM 1755 N GLN B 66 3.346 4.160 7.391 1.00 0.00 N ATOM 1756 CA GLN B 66 4.332 3.260 7.959 1.00 0.00 C ATOM 1757 C GLN B 66 3.823 1.827 7.909 1.00 0.00 C ATOM 1758 O GLN B 66 2.769 1.518 8.458 1.00 0.00 O ATOM 1759 CB GLN B 66 4.622 3.654 9.404 1.00 0.00 C ATOM 1760 CG GLN B 66 5.781 2.903 10.036 1.00 0.00 C ATOM 1761 CD GLN B 66 6.173 3.477 11.383 1.00 0.00 C ATOM 1762 OE1 GLN B 66 7.161 4.358 11.385 1.00 0.00 O flip ATOM 1763 NE2 GLN B 66 5.596 3.124 12.413 1.00 0.00 N flip ATOM 0 H GLN B 66 2.421 4.083 7.813 1.00 0.00 H new ATOM 0 HA GLN B 66 5.250 3.330 7.376 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.833 4.723 9.441 1.00 0.00 H new ATOM 0 HB3 GLN B 66 3.726 3.485 10.001 1.00 0.00 H new ATOM 0 HG2 GLN B 66 5.509 1.854 10.156 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.640 2.935 9.366 1.00 0.00 H new ATOM 0 HE21 GLN B 66 4.839 2.442 12.365 1.00 0.00 H new ATOM 0 HE22 GLN B 66 5.875 3.514 13.313 1.00 0.00 H new ATOM 1772 N LEU B 67 4.559 0.961 7.245 1.00 0.00 N ATOM 1773 CA LEU B 67 4.173 -0.435 7.141 1.00 0.00 C ATOM 1774 C LEU B 67 4.862 -1.264 8.206 1.00 0.00 C ATOM 1775 O LEU B 67 6.076 -1.434 8.168 1.00 0.00 O ATOM 1776 CB LEU B 67 4.534 -0.994 5.769 1.00 0.00 C ATOM 1777 CG LEU B 67 3.634 -0.545 4.626 1.00 0.00 C ATOM 1778 CD1 LEU B 67 4.040 -1.245 3.343 1.00 0.00 C ATOM 1779 CD2 LEU B 67 2.177 -0.830 4.953 1.00 0.00 C ATOM 0 H LEU B 67 5.429 1.197 6.768 1.00 0.00 H new ATOM 0 HA LEU B 67 3.094 -0.489 7.282 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.559 -0.707 5.536 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.512 -2.083 5.821 1.00 0.00 H new ATOM 0 HG LEU B 67 3.748 0.530 4.489 1.00 0.00 H new ATOM 0 HD11 LEU B 67 3.392 -0.919 2.530 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.074 -0.997 3.105 1.00 0.00 H new ATOM 0 HD13 LEU B 67 3.946 -2.323 3.471 1.00 0.00 H new ATOM 0 HD21 LEU B 67 1.548 -0.503 4.125 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.042 -1.900 5.111 1.00 0.00 H new ATOM 0 HD23 LEU B 67 1.895 -0.292 5.858 1.00 0.00 H new ATOM 1791 N VAL B 68 4.095 -1.767 9.161 1.00 0.00 N ATOM 1792 CA VAL B 68 4.661 -2.597 10.206 1.00 0.00 C ATOM 1793 C VAL B 68 4.493 -4.054 9.833 1.00 0.00 C ATOM 1794 O VAL B 68 3.381 -4.587 9.821 1.00 0.00 O ATOM 1795 CB VAL B 68 4.032 -2.337 11.586 1.00 0.00 C ATOM 1796 CG1 VAL B 68 4.583 -3.311 12.617 1.00 0.00 C ATOM 1797 CG2 VAL B 68 4.306 -0.916 12.022 1.00 0.00 C ATOM 0 H VAL B 68 3.089 -1.616 9.232 1.00 0.00 H new ATOM 0 HA VAL B 68 5.717 -2.340 10.288 1.00 0.00 H new ATOM 0 HB VAL B 68 2.955 -2.485 11.508 1.00 0.00 H new ATOM 0 HG11 VAL B 68 4.126 -3.111 13.586 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.354 -4.332 12.311 1.00 0.00 H new ATOM 0 HG13 VAL B 68 5.663 -3.188 12.693 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.857 -0.742 13.000 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.382 -0.755 12.084 1.00 0.00 H new ATOM 0 HG23 VAL B 68 3.877 -0.224 11.297 1.00 0.00 H new ATOM 1807 N LEU B 69 5.602 -4.690 9.522 1.00 0.00 N ATOM 1808 CA LEU B 69 5.587 -6.079 9.124 1.00 0.00 C ATOM 1809 C LEU B 69 5.307 -6.986 10.323 1.00 0.00 C ATOM 1810 O LEU B 69 5.157 -6.512 11.455 1.00 0.00 O ATOM 1811 CB LEU B 69 6.893 -6.456 8.436 1.00 0.00 C ATOM 1812 CG LEU B 69 7.263 -5.626 7.199 1.00 0.00 C ATOM 1813 CD1 LEU B 69 8.060 -6.473 6.233 1.00 0.00 C ATOM 1814 CD2 LEU B 69 6.043 -5.037 6.511 1.00 0.00 C ATOM 0 H LEU B 69 6.529 -4.264 9.538 1.00 0.00 H new ATOM 0 HA LEU B 69 4.779 -6.221 8.406 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.701 -6.371 9.162 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.837 -7.504 8.143 1.00 0.00 H new ATOM 0 HG LEU B 69 7.871 -4.786 7.535 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.320 -5.879 5.357 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.972 -6.820 6.720 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.464 -7.332 5.925 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.359 -4.459 5.642 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.382 -5.842 6.190 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.512 -4.387 7.206 1.00 0.00 H new ATOM 1826 N HIS B 70 5.238 -8.285 10.077 1.00 0.00 N ATOM 1827 CA HIS B 70 4.927 -9.262 11.122 1.00 0.00 C ATOM 1828 C HIS B 70 5.911 -9.242 12.292 1.00 0.00 C ATOM 1829 O HIS B 70 5.487 -9.151 13.447 1.00 0.00 O ATOM 1830 CB HIS B 70 4.841 -10.666 10.526 1.00 0.00 C ATOM 1831 CG HIS B 70 3.650 -10.846 9.638 1.00 0.00 C ATOM 1832 ND1 HIS B 70 2.389 -10.378 9.939 1.00 0.00 N ATOM 1833 CD2 HIS B 70 3.549 -11.431 8.421 1.00 0.00 C ATOM 1834 CE1 HIS B 70 1.582 -10.685 8.916 1.00 0.00 C ATOM 1835 NE2 HIS B 70 2.236 -11.324 7.974 1.00 0.00 N ATOM 0 H HIS B 70 5.394 -8.695 9.156 1.00 0.00 H new ATOM 0 HA HIS B 70 3.959 -8.973 11.532 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.748 -10.870 9.956 1.00 0.00 H new ATOM 0 HB3 HIS B 70 4.800 -11.397 11.334 1.00 0.00 H new ATOM 0 HD2 HIS B 70 4.358 -11.904 7.884 1.00 0.00 H new ATOM 0 HE1 HIS B 70 0.531 -10.439 8.871 1.00 0.00 H new ATOM 0 HE2 HIS B 70 1.858 -11.672 7.093 1.00 0.00 H new ATOM 1843 N ALA B 71 7.205 -9.287 12.005 1.00 0.00 N ATOM 1844 CA ALA B 71 8.219 -9.310 13.061 1.00 0.00 C ATOM 1845 C ALA B 71 8.307 -7.977 13.801 1.00 0.00 C ATOM 1846 O ALA B 71 8.763 -7.917 14.941 1.00 0.00 O ATOM 1847 CB ALA B 71 9.575 -9.683 12.479 1.00 0.00 C ATOM 0 H ALA B 71 7.580 -9.308 11.057 1.00 0.00 H new ATOM 0 HA ALA B 71 7.919 -10.065 13.787 1.00 0.00 H new ATOM 0 HB1 ALA B 71 10.321 -9.697 13.274 1.00 0.00 H new ATOM 0 HB2 ALA B 71 9.515 -10.670 12.020 1.00 0.00 H new ATOM 0 HB3 ALA B 71 9.862 -8.950 11.725 1.00 0.00 H new ATOM 1853 N GLY B 72 7.833 -6.922 13.162 1.00 0.00 N ATOM 1854 CA GLY B 72 7.885 -5.601 13.760 1.00 0.00 C ATOM 1855 C GLY B 72 8.709 -4.671 12.908 1.00 0.00 C ATOM 1856 O GLY B 72 9.175 -3.624 13.355 1.00 0.00 O ATOM 0 H GLY B 72 7.410 -6.954 12.234 1.00 0.00 H new ATOM 0 HA2 GLY B 72 6.876 -5.205 13.870 1.00 0.00 H new ATOM 0 HA3 GLY B 72 8.314 -5.664 14.760 1.00 0.00 H new ATOM 1860 N ASP B 73 8.859 -5.079 11.662 1.00 0.00 N ATOM 1861 CA ASP B 73 9.615 -4.349 10.665 1.00 0.00 C ATOM 1862 C ASP B 73 8.802 -3.146 10.246 1.00 0.00 C ATOM 1863 O ASP B 73 7.584 -3.151 10.401 1.00 0.00 O ATOM 1864 CB ASP B 73 9.877 -5.255 9.456 1.00 0.00 C ATOM 1865 CG ASP B 73 10.055 -6.716 9.842 1.00 0.00 C ATOM 1866 OD1 ASP B 73 11.178 -7.236 9.704 1.00 0.00 O ATOM 1867 OD2 ASP B 73 9.056 -7.345 10.283 1.00 0.00 O ATOM 0 H ASP B 73 8.450 -5.944 11.309 1.00 0.00 H new ATOM 0 HA ASP B 73 10.573 -4.027 11.072 1.00 0.00 H new ATOM 0 HB2 ASP B 73 9.047 -5.168 8.755 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.771 -4.910 8.936 1.00 0.00 H new ATOM 1872 N THR B 74 9.437 -2.119 9.720 1.00 0.00 N ATOM 1873 CA THR B 74 8.693 -0.938 9.328 1.00 0.00 C ATOM 1874 C THR B 74 9.254 -0.282 8.074 1.00 0.00 C ATOM 1875 O THR B 74 10.449 -0.356 7.791 1.00 0.00 O ATOM 1876 CB THR B 74 8.674 0.096 10.472 1.00 0.00 C ATOM 1877 OG1 THR B 74 9.944 0.109 11.136 1.00 0.00 O ATOM 1878 CG2 THR B 74 7.582 -0.208 11.483 1.00 0.00 C ATOM 0 H THR B 74 10.443 -2.075 9.556 1.00 0.00 H new ATOM 0 HA THR B 74 7.679 -1.272 9.108 1.00 0.00 H new ATOM 0 HB THR B 74 8.470 1.073 10.033 1.00 0.00 H new ATOM 0 HG1 THR B 74 9.928 0.769 11.861 1.00 0.00 H new ATOM 0 HG21 THR B 74 7.600 0.542 12.274 1.00 0.00 H new ATOM 0 HG22 THR B 74 6.612 -0.190 10.987 1.00 0.00 H new ATOM 0 HG23 THR B 74 7.750 -1.195 11.915 1.00 0.00 H new ATOM 1886 N THR B 75 8.359 0.332 7.316 1.00 0.00 N ATOM 1887 CA THR B 75 8.714 1.038 6.102 1.00 0.00 C ATOM 1888 C THR B 75 7.999 2.387 6.077 1.00 0.00 C ATOM 1889 O THR B 75 6.773 2.442 6.189 1.00 0.00 O ATOM 1890 CB THR B 75 8.316 0.222 4.861 1.00 0.00 C ATOM 1891 OG1 THR B 75 8.436 -1.179 5.142 1.00 0.00 O ATOM 1892 CG2 THR B 75 9.192 0.581 3.672 1.00 0.00 C ATOM 0 H THR B 75 7.362 0.353 7.530 1.00 0.00 H new ATOM 0 HA THR B 75 9.794 1.188 6.086 1.00 0.00 H new ATOM 0 HB THR B 75 7.281 0.459 4.612 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.788 -1.642 4.353 1.00 0.00 H new ATOM 0 HG21 THR B 75 8.891 -0.009 2.807 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.080 1.641 3.445 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.234 0.369 3.911 1.00 0.00 H new ATOM 1900 N ASN B 76 8.758 3.466 5.952 1.00 0.00 N ATOM 1901 CA ASN B 76 8.181 4.809 5.940 1.00 0.00 C ATOM 1902 C ASN B 76 8.032 5.375 4.545 1.00 0.00 C ATOM 1903 O ASN B 76 8.995 5.463 3.792 1.00 0.00 O ATOM 1904 CB ASN B 76 9.019 5.792 6.754 1.00 0.00 C ATOM 1905 CG ASN B 76 8.583 5.900 8.193 1.00 0.00 C ATOM 1906 OD1 ASN B 76 8.565 7.124 8.691 1.00 0.00 O flip ATOM 1907 ND2 ASN B 76 8.251 4.912 8.845 1.00 0.00 N flip ATOM 0 H ASN B 76 9.773 3.442 5.857 1.00 0.00 H new ATOM 0 HA ASN B 76 7.193 4.693 6.385 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.064 5.482 6.721 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.963 6.777 6.290 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.281 3.986 8.419 1.00 0.00 H new ATOM 0 HD22 ASN B 76 7.946 5.018 9.812 1.00 0.00 H new ATOM 1914 N PHE B 77 6.820 5.778 4.221 1.00 0.00 N ATOM 1915 CA PHE B 77 6.545 6.391 2.942 1.00 0.00 C ATOM 1916 C PHE B 77 6.064 7.812 3.183 1.00 0.00 C ATOM 1917 O PHE B 77 4.923 8.032 3.592 1.00 0.00 O ATOM 1918 CB PHE B 77 5.500 5.586 2.168 1.00 0.00 C ATOM 1919 CG PHE B 77 5.965 4.201 1.826 1.00 0.00 C ATOM 1920 CD1 PHE B 77 7.073 4.012 1.017 1.00 0.00 C ATOM 1921 CD2 PHE B 77 5.301 3.091 2.320 1.00 0.00 C ATOM 1922 CE1 PHE B 77 7.510 2.740 0.704 1.00 0.00 C ATOM 1923 CE2 PHE B 77 5.733 1.816 2.009 1.00 0.00 C ATOM 1924 CZ PHE B 77 6.840 1.640 1.202 1.00 0.00 C ATOM 0 H PHE B 77 6.007 5.690 4.831 1.00 0.00 H new ATOM 0 HA PHE B 77 7.453 6.408 2.339 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.587 5.521 2.760 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.248 6.116 1.250 1.00 0.00 H new ATOM 0 HD1 PHE B 77 7.601 4.869 0.626 1.00 0.00 H new ATOM 0 HD2 PHE B 77 4.437 3.223 2.955 1.00 0.00 H new ATOM 0 HE1 PHE B 77 8.374 2.606 0.071 1.00 0.00 H new ATOM 0 HE2 PHE B 77 5.205 0.957 2.397 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.181 0.644 0.961 1.00 0.00 H new ATOM 1934 N HIS B 78 6.945 8.763 2.933 1.00 0.00 N ATOM 1935 CA HIS B 78 6.648 10.171 3.133 1.00 0.00 C ATOM 1936 C HIS B 78 5.991 10.751 1.894 1.00 0.00 C ATOM 1937 O HIS B 78 6.606 10.827 0.835 1.00 0.00 O ATOM 1938 CB HIS B 78 7.941 10.934 3.459 1.00 0.00 C ATOM 1939 CG HIS B 78 7.778 12.424 3.574 1.00 0.00 C ATOM 1940 ND1 HIS B 78 6.704 13.167 3.946 1.00 0.00 N flip ATOM 1941 CD2 HIS B 78 8.781 13.326 3.296 1.00 0.00 C flip ATOM 1942 CE1 HIS B 78 7.044 14.515 3.897 1.00 0.00 C flip ATOM 1943 NE2 HIS B 78 8.300 14.557 3.503 1.00 0.00 N flip ATOM 0 H HIS B 78 7.887 8.582 2.586 1.00 0.00 H new ATOM 0 HA HIS B 78 5.957 10.273 3.970 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.345 10.553 4.397 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.678 10.721 2.684 1.00 0.00 H new ATOM 0 HD2 HIS B 78 9.781 13.082 2.968 1.00 0.00 H new ATOM 0 HE1 HIS B 78 6.408 15.355 4.134 1.00 0.00 H new ATOM 0 HE2 HIS B 78 8.836 15.415 3.373 1.00 0.00 H new ATOM 1951 N PHE B 79 4.740 11.151 2.032 1.00 0.00 N ATOM 1952 CA PHE B 79 4.009 11.743 0.931 1.00 0.00 C ATOM 1953 C PHE B 79 4.413 13.203 0.799 1.00 0.00 C ATOM 1954 O PHE B 79 3.686 14.109 1.198 1.00 0.00 O ATOM 1955 CB PHE B 79 2.502 11.610 1.159 1.00 0.00 C ATOM 1956 CG PHE B 79 2.031 10.184 1.188 1.00 0.00 C ATOM 1957 CD1 PHE B 79 1.569 9.569 0.037 1.00 0.00 C ATOM 1958 CD2 PHE B 79 2.053 9.457 2.367 1.00 0.00 C ATOM 1959 CE1 PHE B 79 1.137 8.256 0.064 1.00 0.00 C ATOM 1960 CE2 PHE B 79 1.623 8.146 2.399 1.00 0.00 C ATOM 1961 CZ PHE B 79 1.164 7.544 1.246 1.00 0.00 C ATOM 0 H PHE B 79 4.209 11.075 2.900 1.00 0.00 H new ATOM 0 HA PHE B 79 4.250 11.220 0.005 1.00 0.00 H new ATOM 0 HB2 PHE B 79 2.240 12.092 2.101 1.00 0.00 H new ATOM 0 HB3 PHE B 79 1.973 12.144 0.370 1.00 0.00 H new ATOM 0 HD1 PHE B 79 1.546 10.120 -0.891 1.00 0.00 H new ATOM 0 HD2 PHE B 79 2.411 9.922 3.273 1.00 0.00 H new ATOM 0 HE1 PHE B 79 0.778 7.787 -0.840 1.00 0.00 H new ATOM 0 HE2 PHE B 79 1.646 7.592 3.326 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.827 6.518 1.268 1.00 0.00 H new ATOM 1971 N SER B 80 5.594 13.409 0.245 1.00 0.00 N ATOM 1972 CA SER B 80 6.158 14.735 0.063 1.00 0.00 C ATOM 1973 C SER B 80 5.592 15.451 -1.163 1.00 0.00 C ATOM 1974 O SER B 80 6.283 16.251 -1.796 1.00 0.00 O ATOM 1975 CB SER B 80 7.675 14.612 -0.038 1.00 0.00 C ATOM 1976 OG SER B 80 8.046 13.358 -0.588 1.00 0.00 O ATOM 0 H SER B 80 6.193 12.656 -0.094 1.00 0.00 H new ATOM 0 HA SER B 80 5.884 15.344 0.925 1.00 0.00 H new ATOM 0 HB2 SER B 80 8.068 15.417 -0.659 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.120 14.726 0.951 1.00 0.00 H new ATOM 0 HG SER B 80 7.466 13.151 -1.350 1.00 0.00 H new ATOM 1982 N ASN B 81 4.343 15.168 -1.493 1.00 0.00 N ATOM 1983 CA ASN B 81 3.694 15.808 -2.624 1.00 0.00 C ATOM 1984 C ASN B 81 2.764 16.898 -2.113 1.00 0.00 C ATOM 1985 O ASN B 81 1.682 16.617 -1.607 1.00 0.00 O ATOM 1986 CB ASN B 81 2.919 14.792 -3.465 1.00 0.00 C ATOM 1987 CG ASN B 81 2.557 15.346 -4.830 1.00 0.00 C ATOM 1988 OD1 ASN B 81 3.243 16.224 -5.355 1.00 0.00 O ATOM 1989 ND2 ASN B 81 1.485 14.842 -5.414 1.00 0.00 N ATOM 0 H ASN B 81 3.758 14.499 -0.993 1.00 0.00 H new ATOM 0 HA ASN B 81 4.457 16.249 -3.266 1.00 0.00 H new ATOM 0 HB2 ASN B 81 3.518 13.889 -3.587 1.00 0.00 H new ATOM 0 HB3 ASN B 81 2.010 14.503 -2.938 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.199 15.179 -6.333 1.00 0.00 H new ATOM 0 HD22 ASN B 81 0.943 14.116 -4.946 1.00 0.00 H new ATOM 1996 N GLU B 82 3.191 18.141 -2.261 1.00 0.00 N ATOM 1997 CA GLU B 82 2.435 19.294 -1.780 1.00 0.00 C ATOM 1998 C GLU B 82 1.081 19.442 -2.477 1.00 0.00 C ATOM 1999 O GLU B 82 0.255 20.255 -2.066 1.00 0.00 O ATOM 2000 CB GLU B 82 3.253 20.579 -1.975 1.00 0.00 C ATOM 2001 CG GLU B 82 4.654 20.528 -1.374 1.00 0.00 C ATOM 2002 CD GLU B 82 5.680 19.899 -2.303 1.00 0.00 C ATOM 2003 OE1 GLU B 82 6.884 19.941 -1.989 1.00 0.00 O ATOM 2004 OE2 GLU B 82 5.287 19.339 -3.349 1.00 0.00 O ATOM 0 H GLU B 82 4.071 18.383 -2.717 1.00 0.00 H new ATOM 0 HA GLU B 82 2.243 19.127 -0.720 1.00 0.00 H new ATOM 0 HB2 GLU B 82 3.335 20.785 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU B 82 2.710 21.413 -1.530 1.00 0.00 H new ATOM 0 HG2 GLU B 82 4.972 21.540 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU B 82 4.623 19.964 -0.442 1.00 0.00 H new ATOM 2011 N SER B 83 0.851 18.659 -3.520 1.00 0.00 N ATOM 2012 CA SER B 83 -0.401 18.734 -4.251 1.00 0.00 C ATOM 2013 C SER B 83 -1.515 17.946 -3.552 1.00 0.00 C ATOM 2014 O SER B 83 -2.527 18.518 -3.151 1.00 0.00 O ATOM 2015 CB SER B 83 -0.196 18.217 -5.673 1.00 0.00 C ATOM 2016 OG SER B 83 0.977 18.774 -6.243 1.00 0.00 O ATOM 0 H SER B 83 1.512 17.969 -3.876 1.00 0.00 H new ATOM 0 HA SER B 83 -0.713 19.778 -4.284 1.00 0.00 H new ATOM 0 HB2 SER B 83 -0.121 17.130 -5.663 1.00 0.00 H new ATOM 0 HB3 SER B 83 -1.061 18.471 -6.286 1.00 0.00 H new ATOM 0 HG SER B 83 1.093 18.430 -7.153 1.00 0.00 H new ATOM 2022 N THR B 84 -1.329 16.641 -3.393 1.00 0.00 N ATOM 2023 CA THR B 84 -2.348 15.812 -2.763 1.00 0.00 C ATOM 2024 C THR B 84 -1.785 14.877 -1.692 1.00 0.00 C ATOM 2025 O THR B 84 -2.279 13.766 -1.530 1.00 0.00 O ATOM 2026 CB THR B 84 -3.092 14.981 -3.826 1.00 0.00 C ATOM 2027 OG1 THR B 84 -2.218 14.711 -4.930 1.00 0.00 O ATOM 2028 CG2 THR B 84 -4.333 15.711 -4.318 1.00 0.00 C ATOM 0 H THR B 84 -0.492 16.139 -3.688 1.00 0.00 H new ATOM 0 HA THR B 84 -3.036 16.496 -2.267 1.00 0.00 H new ATOM 0 HB THR B 84 -3.405 14.042 -3.370 1.00 0.00 H new ATOM 0 HG1 THR B 84 -1.399 14.285 -4.602 1.00 0.00 H new ATOM 0 HG21 THR B 84 -4.840 15.103 -5.067 1.00 0.00 H new ATOM 0 HG22 THR B 84 -5.006 15.889 -3.480 1.00 0.00 H new ATOM 0 HG23 THR B 84 -4.043 16.664 -4.760 1.00 0.00 H new ATOM 2036 N ALA B 85 -0.790 15.345 -0.938 1.00 0.00 N ATOM 2037 CA ALA B 85 -0.154 14.539 0.117 1.00 0.00 C ATOM 2038 C ALA B 85 -1.175 13.847 1.015 1.00 0.00 C ATOM 2039 O ALA B 85 -1.079 12.647 1.276 1.00 0.00 O ATOM 2040 CB ALA B 85 0.756 15.410 0.973 1.00 0.00 C ATOM 0 H ALA B 85 -0.402 16.283 -1.036 1.00 0.00 H new ATOM 0 HA ALA B 85 0.430 13.768 -0.386 1.00 0.00 H new ATOM 0 HB1 ALA B 85 1.219 14.800 1.749 1.00 0.00 H new ATOM 0 HB2 ALA B 85 1.532 15.851 0.347 1.00 0.00 H new ATOM 0 HB3 ALA B 85 0.169 16.203 1.437 1.00 0.00 H new ATOM 2046 N VAL B 86 -2.154 14.610 1.474 1.00 0.00 N ATOM 2047 CA VAL B 86 -3.188 14.089 2.354 1.00 0.00 C ATOM 2048 C VAL B 86 -4.034 13.015 1.664 1.00 0.00 C ATOM 2049 O VAL B 86 -4.221 11.921 2.199 1.00 0.00 O ATOM 2050 CB VAL B 86 -4.108 15.227 2.852 1.00 0.00 C ATOM 2051 CG1 VAL B 86 -5.345 14.674 3.546 1.00 0.00 C ATOM 2052 CG2 VAL B 86 -3.356 16.159 3.785 1.00 0.00 C ATOM 0 H VAL B 86 -2.254 15.600 1.250 1.00 0.00 H new ATOM 0 HA VAL B 86 -2.682 13.633 3.205 1.00 0.00 H new ATOM 0 HB VAL B 86 -4.432 15.793 1.979 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.972 15.499 3.885 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.907 14.054 2.848 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -5.043 14.072 4.403 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -4.023 16.952 4.123 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.994 15.598 4.646 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -2.510 16.598 3.257 1.00 0.00 H new ATOM 2062 N LYS B 87 -4.507 13.314 0.459 1.00 0.00 N ATOM 2063 CA LYS B 87 -5.364 12.383 -0.267 1.00 0.00 C ATOM 2064 C LYS B 87 -4.603 11.173 -0.796 1.00 0.00 C ATOM 2065 O LYS B 87 -5.131 10.064 -0.776 1.00 0.00 O ATOM 2066 CB LYS B 87 -6.108 13.092 -1.399 1.00 0.00 C ATOM 2067 CG LYS B 87 -7.221 14.015 -0.911 1.00 0.00 C ATOM 2068 CD LYS B 87 -7.938 13.456 0.318 1.00 0.00 C ATOM 2069 CE LYS B 87 -8.662 12.149 0.017 1.00 0.00 C ATOM 2070 NZ LYS B 87 -9.289 11.558 1.231 1.00 0.00 N ATOM 0 H LYS B 87 -4.314 14.186 -0.033 1.00 0.00 H new ATOM 0 HA LYS B 87 -6.094 12.008 0.450 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -5.395 13.673 -1.984 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -6.534 12.344 -2.068 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -6.801 14.992 -0.672 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.943 14.166 -1.713 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -7.214 13.293 1.116 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -8.655 14.191 0.684 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -9.430 12.327 -0.736 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.957 11.435 -0.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -9.740 10.654 0.984 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -8.559 11.394 1.954 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -10.006 12.212 1.605 1.00 0.00 H new ATOM 2084 N GLU B 88 -3.378 11.370 -1.269 1.00 0.00 N ATOM 2085 CA GLU B 88 -2.588 10.251 -1.769 1.00 0.00 C ATOM 2086 C GLU B 88 -2.290 9.300 -0.623 1.00 0.00 C ATOM 2087 O GLU B 88 -2.260 8.083 -0.807 1.00 0.00 O ATOM 2088 CB GLU B 88 -1.293 10.722 -2.440 1.00 0.00 C ATOM 2089 CG GLU B 88 -1.515 11.351 -3.805 1.00 0.00 C ATOM 2090 CD GLU B 88 -0.291 12.085 -4.318 1.00 0.00 C ATOM 2091 OE1 GLU B 88 0.560 11.450 -4.977 1.00 0.00 O ATOM 2092 OE2 GLU B 88 -0.188 13.307 -4.066 1.00 0.00 O ATOM 0 H GLU B 88 -2.916 12.278 -1.317 1.00 0.00 H new ATOM 0 HA GLU B 88 -3.166 9.732 -2.533 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -0.798 11.445 -1.791 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -0.617 9.873 -2.545 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -1.793 10.574 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.353 12.046 -3.748 1.00 0.00 H new ATOM 2099 N ARG B 89 -2.083 9.858 0.571 1.00 0.00 N ATOM 2100 CA ARG B 89 -1.849 9.032 1.740 1.00 0.00 C ATOM 2101 C ARG B 89 -3.097 8.222 2.011 1.00 0.00 C ATOM 2102 O ARG B 89 -3.031 7.018 2.218 1.00 0.00 O ATOM 2103 CB ARG B 89 -1.521 9.855 2.984 1.00 0.00 C ATOM 2104 CG ARG B 89 -1.369 8.985 4.224 1.00 0.00 C ATOM 2105 CD ARG B 89 -1.808 9.698 5.489 1.00 0.00 C ATOM 2106 NE ARG B 89 -3.213 10.112 5.451 1.00 0.00 N ATOM 2107 CZ ARG B 89 -3.823 10.762 6.447 1.00 0.00 C ATOM 2108 NH1 ARG B 89 -3.157 11.066 7.554 1.00 0.00 N ATOM 2109 NH2 ARG B 89 -5.101 11.102 6.340 1.00 0.00 N ATOM 0 H ARG B 89 -2.074 10.863 0.746 1.00 0.00 H new ATOM 0 HA ARG B 89 -0.990 8.394 1.531 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -0.599 10.411 2.817 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -2.310 10.588 3.151 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -1.957 8.075 4.100 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.327 8.680 4.325 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -1.651 9.040 6.344 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -1.180 10.575 5.642 1.00 0.00 H new ATOM 0 HE ARG B 89 -3.757 9.892 4.617 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -2.176 10.804 7.647 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -3.626 11.562 8.312 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -5.622 10.867 5.495 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -5.562 11.598 7.103 1.00 0.00 H new ATOM 2123 N ASP B 90 -4.233 8.910 1.996 1.00 0.00 N ATOM 2124 CA ASP B 90 -5.528 8.281 2.222 1.00 0.00 C ATOM 2125 C ASP B 90 -5.748 7.162 1.224 1.00 0.00 C ATOM 2126 O ASP B 90 -6.193 6.086 1.585 1.00 0.00 O ATOM 2127 CB ASP B 90 -6.660 9.300 2.083 1.00 0.00 C ATOM 2128 CG ASP B 90 -6.871 10.121 3.333 1.00 0.00 C ATOM 2129 OD1 ASP B 90 -7.580 11.146 3.251 1.00 0.00 O ATOM 2130 OD2 ASP B 90 -6.335 9.741 4.399 1.00 0.00 O ATOM 0 H ASP B 90 -4.282 9.915 1.828 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.532 7.878 3.235 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.441 9.967 1.249 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.584 8.777 1.838 1.00 0.00 H new ATOM 2135 N ALA B 91 -5.409 7.422 -0.032 1.00 0.00 N ATOM 2136 CA ALA B 91 -5.570 6.440 -1.089 1.00 0.00 C ATOM 2137 C ALA B 91 -4.805 5.160 -0.771 1.00 0.00 C ATOM 2138 O ALA B 91 -5.313 4.061 -0.969 1.00 0.00 O ATOM 2139 CB ALA B 91 -5.115 7.020 -2.418 1.00 0.00 C ATOM 0 H ALA B 91 -5.018 8.312 -0.342 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.628 6.187 -1.161 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.241 6.274 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -5.713 7.900 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -4.064 7.303 -2.351 1.00 0.00 H new ATOM 2145 N VAL B 92 -3.592 5.309 -0.254 1.00 0.00 N ATOM 2146 CA VAL B 92 -2.757 4.165 0.085 1.00 0.00 C ATOM 2147 C VAL B 92 -3.202 3.554 1.404 1.00 0.00 C ATOM 2148 O VAL B 92 -3.348 2.343 1.528 1.00 0.00 O ATOM 2149 CB VAL B 92 -1.274 4.576 0.200 1.00 0.00 C ATOM 2150 CG1 VAL B 92 -0.404 3.394 0.599 1.00 0.00 C ATOM 2151 CG2 VAL B 92 -0.788 5.179 -1.103 1.00 0.00 C ATOM 0 H VAL B 92 -3.164 6.214 -0.060 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.864 3.432 -0.715 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.194 5.329 0.984 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.635 3.715 0.672 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.733 3.009 1.564 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.489 2.609 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL B 92 0.260 5.463 -1.004 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -0.891 4.447 -1.904 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -1.382 6.061 -1.340 1.00 0.00 H new ATOM 2161 N LYS B 93 -3.443 4.422 2.365 1.00 0.00 N ATOM 2162 CA LYS B 93 -3.855 4.039 3.697 1.00 0.00 C ATOM 2163 C LYS B 93 -5.181 3.285 3.678 1.00 0.00 C ATOM 2164 O LYS B 93 -5.301 2.203 4.258 1.00 0.00 O ATOM 2165 CB LYS B 93 -3.943 5.320 4.527 1.00 0.00 C ATOM 2166 CG LYS B 93 -4.968 5.318 5.640 1.00 0.00 C ATOM 2167 CD LYS B 93 -5.055 6.695 6.270 1.00 0.00 C ATOM 2168 CE LYS B 93 -6.452 7.003 6.767 1.00 0.00 C ATOM 2169 NZ LYS B 93 -7.289 7.651 5.719 1.00 0.00 N ATOM 0 H LYS B 93 -3.356 5.430 2.239 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.131 3.353 4.138 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -2.963 5.516 4.962 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -4.165 6.150 3.856 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -5.942 5.027 5.247 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.695 4.581 6.395 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -4.352 6.759 7.101 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -4.755 7.447 5.540 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -6.932 6.080 7.094 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.391 7.657 7.637 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.028 8.226 6.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.691 8.260 5.125 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -7.733 6.920 5.128 1.00 0.00 H new ATOM 2183 N ASP B 94 -6.152 3.848 2.979 1.00 0.00 N ATOM 2184 CA ASP B 94 -7.481 3.265 2.877 1.00 0.00 C ATOM 2185 C ASP B 94 -7.474 2.005 2.018 1.00 0.00 C ATOM 2186 O ASP B 94 -8.175 1.033 2.309 1.00 0.00 O ATOM 2187 CB ASP B 94 -8.458 4.298 2.318 1.00 0.00 C ATOM 2188 CG ASP B 94 -8.997 5.224 3.396 1.00 0.00 C ATOM 2189 OD1 ASP B 94 -10.208 5.155 3.699 1.00 0.00 O ATOM 2190 OD2 ASP B 94 -8.212 6.015 3.959 1.00 0.00 O ATOM 0 H ASP B 94 -6.042 4.723 2.466 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.805 2.974 3.876 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -7.959 4.889 1.551 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.289 3.785 1.834 1.00 0.00 H new ATOM 2195 N LEU B 95 -6.663 2.005 0.976 1.00 0.00 N ATOM 2196 CA LEU B 95 -6.569 0.841 0.103 1.00 0.00 C ATOM 2197 C LEU B 95 -5.816 -0.258 0.828 1.00 0.00 C ATOM 2198 O LEU B 95 -5.990 -1.436 0.543 1.00 0.00 O ATOM 2199 CB LEU B 95 -5.881 1.183 -1.224 1.00 0.00 C ATOM 2200 CG LEU B 95 -5.810 0.040 -2.245 1.00 0.00 C ATOM 2201 CD1 LEU B 95 -7.190 -0.543 -2.502 1.00 0.00 C ATOM 2202 CD2 LEU B 95 -5.192 0.528 -3.548 1.00 0.00 C ATOM 0 H LEU B 95 -6.064 2.787 0.712 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.576 0.502 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.407 2.022 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.867 1.520 -1.011 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.178 -0.746 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.114 -1.351 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.601 -0.931 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.847 0.235 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.149 -0.295 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.800 1.334 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.184 0.896 -3.357 1.00 0.00 H new ATOM 2214 N LEU B 96 -4.975 0.131 1.774 1.00 0.00 N ATOM 2215 CA LEU B 96 -4.246 -0.841 2.556 1.00 0.00 C ATOM 2216 C LEU B 96 -5.203 -1.537 3.498 1.00 0.00 C ATOM 2217 O LEU B 96 -5.247 -2.754 3.520 1.00 0.00 O ATOM 2218 CB LEU B 96 -3.089 -0.213 3.304 1.00 0.00 C ATOM 2219 CG LEU B 96 -1.776 -0.214 2.531 1.00 0.00 C ATOM 2220 CD1 LEU B 96 -0.685 0.441 3.344 1.00 0.00 C ATOM 2221 CD2 LEU B 96 -1.377 -1.630 2.154 1.00 0.00 C ATOM 0 H LEU B 96 -4.785 1.104 2.013 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.808 -1.577 1.881 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.349 0.815 3.557 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.946 -0.746 4.244 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.918 0.358 1.614 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.246 0.432 2.777 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.965 1.471 3.566 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.548 -0.106 4.276 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.437 -1.609 1.603 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.254 -2.226 3.058 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -2.153 -2.073 1.530 1.00 0.00 H new ATOM 2233 N GLN B 97 -5.975 -0.783 4.289 1.00 0.00 N ATOM 2234 CA GLN B 97 -6.982 -1.401 5.141 1.00 0.00 C ATOM 2235 C GLN B 97 -7.936 -2.261 4.301 1.00 0.00 C ATOM 2236 O GLN B 97 -8.661 -3.101 4.828 1.00 0.00 O ATOM 2237 CB GLN B 97 -7.750 -0.341 5.924 1.00 0.00 C ATOM 2238 CG GLN B 97 -7.837 0.998 5.232 1.00 0.00 C ATOM 2239 CD GLN B 97 -7.865 2.164 6.198 1.00 0.00 C ATOM 2240 OE1 GLN B 97 -8.297 3.263 5.862 1.00 0.00 O ATOM 2241 NE2 GLN B 97 -7.444 1.927 7.413 1.00 0.00 N ATOM 0 H GLN B 97 -5.920 0.234 4.353 1.00 0.00 H new ATOM 0 HA GLN B 97 -6.479 -2.049 5.859 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -8.760 -0.706 6.113 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -7.273 -0.205 6.895 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.985 1.110 4.561 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -8.735 1.024 4.614 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.091 1.002 7.659 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.469 2.667 8.115 1.00 0.00 H new ATOM 2250 N GLN B 98 -7.942 -2.012 2.996 1.00 0.00 N ATOM 2251 CA GLN B 98 -8.747 -2.778 2.057 1.00 0.00 C ATOM 2252 C GLN B 98 -8.022 -4.052 1.584 1.00 0.00 C ATOM 2253 O GLN B 98 -8.581 -5.145 1.621 1.00 0.00 O ATOM 2254 CB GLN B 98 -9.090 -1.900 0.848 1.00 0.00 C ATOM 2255 CG GLN B 98 -10.340 -1.060 1.036 1.00 0.00 C ATOM 2256 CD GLN B 98 -11.178 -1.524 2.201 1.00 0.00 C ATOM 2257 OE1 GLN B 98 -10.995 -1.076 3.329 1.00 0.00 O ATOM 2258 NE2 GLN B 98 -12.109 -2.414 1.936 1.00 0.00 N ATOM 0 H GLN B 98 -7.389 -1.274 2.561 1.00 0.00 H new ATOM 0 HA GLN B 98 -9.658 -3.088 2.569 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -8.248 -1.240 0.640 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -9.220 -2.537 -0.027 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -10.055 -0.019 1.190 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -10.938 -1.096 0.125 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -12.227 -2.760 0.984 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -12.713 -2.758 2.683 1.00 0.00 H new ATOM 2267 N LEU B 99 -6.766 -3.904 1.167 1.00 0.00 N ATOM 2268 CA LEU B 99 -5.980 -5.026 0.640 1.00 0.00 C ATOM 2269 C LEU B 99 -5.227 -5.825 1.708 1.00 0.00 C ATOM 2270 O LEU B 99 -4.942 -7.004 1.508 1.00 0.00 O ATOM 2271 CB LEU B 99 -4.982 -4.510 -0.396 1.00 0.00 C ATOM 2272 CG LEU B 99 -5.578 -4.227 -1.773 1.00 0.00 C ATOM 2273 CD1 LEU B 99 -4.617 -3.407 -2.617 1.00 0.00 C ATOM 2274 CD2 LEU B 99 -5.922 -5.530 -2.473 1.00 0.00 C ATOM 0 H LEU B 99 -6.266 -3.015 1.183 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.700 -5.712 0.193 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.527 -3.595 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.182 -5.242 -0.505 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.492 -3.649 -1.641 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.062 -3.217 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.415 -2.458 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.684 -3.957 -2.744 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.346 -5.315 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.019 -6.129 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.648 -6.083 -1.877 1.00 0.00 H new ATOM 2286 N LEU B 100 -4.893 -5.195 2.825 1.00 0.00 N ATOM 2287 CA LEU B 100 -4.157 -5.871 3.895 1.00 0.00 C ATOM 2288 C LEU B 100 -4.904 -7.105 4.424 1.00 0.00 C ATOM 2289 O LEU B 100 -4.323 -8.189 4.476 1.00 0.00 O ATOM 2290 CB LEU B 100 -3.819 -4.897 5.036 1.00 0.00 C ATOM 2291 CG LEU B 100 -2.588 -4.020 4.772 1.00 0.00 C ATOM 2292 CD1 LEU B 100 -2.414 -2.948 5.848 1.00 0.00 C ATOM 2293 CD2 LEU B 100 -1.345 -4.886 4.678 1.00 0.00 C ATOM 0 H LEU B 100 -5.117 -4.219 3.018 1.00 0.00 H new ATOM 0 HA LEU B 100 -3.222 -6.226 3.463 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -4.679 -4.252 5.214 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -3.655 -5.469 5.949 1.00 0.00 H new ATOM 0 HG LEU B 100 -2.740 -3.506 3.823 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -1.532 -2.348 5.625 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -3.294 -2.305 5.867 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -2.292 -3.425 6.820 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -0.476 -4.256 4.490 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -1.206 -5.426 5.614 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -1.459 -5.599 3.861 1.00 0.00 H new