USER MOD reduce.3.24.130724 H: found=0, std=0, add=1227, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1226 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 97 GLN : amide:sc= 1.13 K(o=1.8,f=-0.49) USER MOD Set 1.2: B 98 GLN : amide:sc= 0.699 K(o=1.8,f=-2.7) USER MOD Set 2.1: B 14 LYS NZ :NH3+ 139:sc= -3.8! (180deg=-4.42!) USER MOD Set 2.2: B 81 ASN : amide:sc= 0.836 X(o=-3.5,f=-3.6) USER MOD Set 2.3: B 84 THR OG1 : rot 180:sc= -0.524 USER MOD Set 3.1: B 78 HIS : no HE2:sc= -0.654 K(o=-0.65,f=-1.4) USER MOD Set 3.2: B 80 SER OG : rot -140:sc= 0 USER MOD Set 4.1: B 45 HIS : no HE2:sc= -0.312 X(o=-0.2,f=-0.44) USER MOD Set 4.2: B 75 THR OG1 : rot 153:sc= 0.114 USER MOD Set 5.1: B 54 LYS NZ :NH3+ -149:sc= 1.53 (180deg=0.716) USER MOD Set 5.2: B 66 GLN : amide:sc= 1.17 K(o=2.8,f=-9.5!) USER MOD Set 5.3: B 76 ASN : amide:sc= 0.0523 K(o=2.8,f=-7!) USER MOD Set 6.1: B 38 LYS NZ :NH3+ 171:sc= 2.51 (180deg=1.18) USER MOD Set 6.2: B 42 THR OG1 : rot -160:sc= 1.01 USER MOD Single : A 397 MET CE :methyl -138:sc=-0.00608 (180deg=-2.21!) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 TYR OH : rot 165:sc= -0.117 USER MOD Single : A 406 SER OG : rot 42:sc= 1.15 USER MOD Single : A 409 SER OG : rot -89:sc= 0.214 USER MOD Single : A 410 GLN :FLIP amide:sc= -0.477 F(o=-1.1,f=-0.48) USER MOD Single : A 417 GLN : amide:sc= 0.936 K(o=0.94,f=-4.7!) USER MOD Single : A 418 MET CE :methyl -167:sc= -4.51! (180deg=-5.44!) USER MOD Single : A 419 THR OG1 : rot 163:sc= 0.902 USER MOD Single : A 423 LYS NZ :NH3+ 144:sc= -3.97! (180deg=-4.49!) USER MOD Single : A 426 TYR OH : rot -69:sc= -1.27 USER MOD Single : A 429 MET CE :methyl -163:sc= -6.64! (180deg=-7.14!) USER MOD Single : A 431 GLN : amide:sc= 1.17 K(o=1.2,f=-5.6!) USER MOD Single : A 433 MET CE :methyl -171:sc= -1.62 (180deg=-1.88) USER MOD Single : B 13 LYS NZ :NH3+ 141:sc= 2.01 (180deg=0.233) USER MOD Single : B 17 GLN :FLIP amide:sc= -1.88! C(o=-3!,f=-1.9!) USER MOD Single : B 18 LYS NZ :NH3+ -112:sc= 0.984 (180deg=-1.3!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= -1.53! C(o=-1.5!,f=-3!) USER MOD Single : B 25 TYR OH : rot 35:sc= 1.03 USER MOD Single : B 27 MET CE :methyl 149:sc= -3.61! (180deg=-5.21!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl 162:sc= 0 (180deg=-0.374) USER MOD Single : B 47 TYR OH : rot 141:sc= 0.986 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot 22:sc= 0.612 USER MOD Single : B 53 GLN :FLIP amide:sc= -2.28 F(o=-4!,f=-2.3) USER MOD Single : B 56 SER OG : rot -26:sc= -0.0499 USER MOD Single : B 60 LYS NZ :NH3+ 142:sc= 1.05 (180deg=-1.77!) USER MOD Single : B 62 LYS NZ :NH3+ -166:sc= 0.467 (180deg=-0.657) USER MOD Single : B 64 GLN :FLIP amide:sc= -1.26 F(o=-3.4,f=-1.3) USER MOD Single : B 70 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-4.5!) USER MOD Single : B 74 THR OG1 : rot 26:sc= 0.376 USER MOD Single : B 83 SER OG : rot 57:sc= 1.23 USER MOD Single : B 87 LYS NZ :NH3+ -155:sc= 1.23 (180deg=0.764) USER MOD Single : B 93 LYS NZ :NH3+ 155:sc= 2.02 (180deg=0.53) USER MOD Single : B 102 LYS NZ :NH3+ -174:sc= 0.511 (180deg=0.443) USER MOD Single : B 104 LYS NZ :NH3+ 152:sc= 1.01 (180deg=-1.58) USER MOD ----------------------------------------------------------------- ATOM 58 N GLU A 382 9.227 10.537 11.510 1.00 0.00 N ATOM 59 CA GLU A 382 7.918 10.585 10.873 1.00 0.00 C ATOM 60 C GLU A 382 6.858 10.105 11.854 1.00 0.00 C ATOM 61 O GLU A 382 6.661 8.903 12.038 1.00 0.00 O ATOM 62 CB GLU A 382 7.879 9.730 9.599 1.00 0.00 C ATOM 63 CG GLU A 382 9.246 9.364 9.039 1.00 0.00 C ATOM 64 CD GLU A 382 9.862 8.172 9.743 1.00 0.00 C ATOM 65 OE1 GLU A 382 9.560 7.019 9.362 1.00 0.00 O ATOM 66 OE2 GLU A 382 10.659 8.379 10.682 1.00 0.00 O ATOM 0 HA GLU A 382 7.716 11.617 10.586 1.00 0.00 H new ATOM 0 HB2 GLU A 382 7.330 8.812 9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 382 7.319 10.268 8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 382 9.152 9.145 7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 382 9.914 10.221 9.131 1.00 0.00 H new ATOM 73 N GLU A 383 6.184 11.049 12.485 1.00 0.00 N ATOM 74 CA GLU A 383 5.163 10.730 13.466 1.00 0.00 C ATOM 75 C GLU A 383 3.812 10.483 12.811 1.00 0.00 C ATOM 76 O GLU A 383 3.510 11.025 11.747 1.00 0.00 O ATOM 77 CB GLU A 383 5.033 11.848 14.514 1.00 0.00 C ATOM 78 CG GLU A 383 5.812 13.119 14.193 1.00 0.00 C ATOM 79 CD GLU A 383 5.213 13.915 13.049 1.00 0.00 C ATOM 80 OE1 GLU A 383 4.320 14.752 13.294 1.00 0.00 O ATOM 81 OE2 GLU A 383 5.636 13.711 11.896 1.00 0.00 O ATOM 0 H GLU A 383 6.326 12.048 12.335 1.00 0.00 H new ATOM 0 HA GLU A 383 5.478 9.812 13.963 1.00 0.00 H new ATOM 0 HB2 GLU A 383 3.979 12.103 14.624 1.00 0.00 H new ATOM 0 HB3 GLU A 383 5.371 11.465 15.477 1.00 0.00 H new ATOM 0 HG2 GLU A 383 5.851 13.747 15.083 1.00 0.00 H new ATOM 0 HG3 GLU A 383 6.840 12.854 13.944 1.00 0.00 H new ATOM 88 N ASP A 384 3.010 9.648 13.463 1.00 0.00 N ATOM 89 CA ASP A 384 1.665 9.321 12.999 1.00 0.00 C ATOM 90 C ASP A 384 0.738 10.472 13.368 1.00 0.00 C ATOM 91 O ASP A 384 -0.109 10.351 14.253 1.00 0.00 O ATOM 92 CB ASP A 384 1.184 8.021 13.658 1.00 0.00 C ATOM 93 CG ASP A 384 0.388 7.132 12.722 1.00 0.00 C ATOM 94 OD1 ASP A 384 -0.651 7.579 12.202 1.00 0.00 O ATOM 95 OD2 ASP A 384 0.801 5.967 12.516 1.00 0.00 O ATOM 0 H ASP A 384 3.274 9.178 14.329 1.00 0.00 H new ATOM 0 HA ASP A 384 1.666 9.176 11.919 1.00 0.00 H new ATOM 0 HB2 ASP A 384 2.048 7.468 14.026 1.00 0.00 H new ATOM 0 HB3 ASP A 384 0.570 8.267 14.524 1.00 0.00 H new ATOM 100 N ASP A 385 0.933 11.599 12.699 1.00 0.00 N ATOM 101 CA ASP A 385 0.165 12.804 12.975 1.00 0.00 C ATOM 102 C ASP A 385 -1.195 12.813 12.294 1.00 0.00 C ATOM 103 O ASP A 385 -2.115 13.470 12.778 1.00 0.00 O ATOM 104 CB ASP A 385 0.966 14.054 12.573 1.00 0.00 C ATOM 105 CG ASP A 385 1.041 14.286 11.068 1.00 0.00 C ATOM 106 OD1 ASP A 385 1.107 13.305 10.299 1.00 0.00 O ATOM 107 OD2 ASP A 385 1.062 15.469 10.645 1.00 0.00 O ATOM 0 H ASP A 385 1.623 11.704 11.955 1.00 0.00 H new ATOM 0 HA ASP A 385 -0.019 12.815 14.049 1.00 0.00 H new ATOM 0 HB2 ASP A 385 0.515 14.928 13.043 1.00 0.00 H new ATOM 0 HB3 ASP A 385 1.978 13.966 12.968 1.00 0.00 H new ATOM 112 N GLU A 386 -1.338 12.083 11.193 1.00 0.00 N ATOM 113 CA GLU A 386 -2.585 12.063 10.471 1.00 0.00 C ATOM 114 C GLU A 386 -2.481 11.063 9.349 1.00 0.00 C ATOM 115 O GLU A 386 -2.162 11.414 8.212 1.00 0.00 O ATOM 116 CB GLU A 386 -2.860 13.444 9.901 1.00 0.00 C ATOM 117 CG GLU A 386 -4.262 13.971 10.115 1.00 0.00 C ATOM 118 CD GLU A 386 -4.422 15.371 9.561 1.00 0.00 C ATOM 119 OE1 GLU A 386 -3.427 16.132 9.583 1.00 0.00 O ATOM 120 OE2 GLU A 386 -5.521 15.705 9.087 1.00 0.00 O ATOM 0 H GLU A 386 -0.603 11.502 10.790 1.00 0.00 H new ATOM 0 HA GLU A 386 -3.399 11.783 11.140 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -2.155 14.147 10.344 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -2.659 13.422 8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -4.979 13.305 9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -4.492 13.972 11.180 1.00 0.00 H new ATOM 127 N PHE A 387 -2.686 9.810 9.673 1.00 0.00 N ATOM 128 CA PHE A 387 -2.603 8.776 8.679 1.00 0.00 C ATOM 129 C PHE A 387 -3.877 7.963 8.644 1.00 0.00 C ATOM 130 O PHE A 387 -4.517 7.730 9.667 1.00 0.00 O ATOM 131 CB PHE A 387 -1.427 7.833 8.956 1.00 0.00 C ATOM 132 CG PHE A 387 -0.064 8.436 8.776 1.00 0.00 C ATOM 133 CD1 PHE A 387 0.422 9.362 9.679 1.00 0.00 C ATOM 134 CD2 PHE A 387 0.740 8.060 7.711 1.00 0.00 C ATOM 135 CE1 PHE A 387 1.674 9.903 9.526 1.00 0.00 C ATOM 136 CE2 PHE A 387 1.995 8.600 7.554 1.00 0.00 C ATOM 137 CZ PHE A 387 2.460 9.522 8.464 1.00 0.00 C ATOM 0 H PHE A 387 -2.910 9.485 10.614 1.00 0.00 H new ATOM 0 HA PHE A 387 -2.452 9.267 7.717 1.00 0.00 H new ATOM 0 HB2 PHE A 387 -1.511 7.465 9.979 1.00 0.00 H new ATOM 0 HB3 PHE A 387 -1.513 6.968 8.298 1.00 0.00 H new ATOM 0 HD1 PHE A 387 -0.191 9.664 10.515 1.00 0.00 H new ATOM 0 HD2 PHE A 387 0.377 7.335 6.997 1.00 0.00 H new ATOM 0 HE1 PHE A 387 2.041 10.627 10.239 1.00 0.00 H new ATOM 0 HE2 PHE A 387 2.613 8.302 6.720 1.00 0.00 H new ATOM 0 HZ PHE A 387 3.445 9.948 8.344 1.00 0.00 H new ATOM 147 N GLU A 388 -4.212 7.528 7.454 1.00 0.00 N ATOM 148 CA GLU A 388 -5.379 6.710 7.230 1.00 0.00 C ATOM 149 C GLU A 388 -4.903 5.290 7.109 1.00 0.00 C ATOM 150 O GLU A 388 -4.021 5.018 6.291 1.00 0.00 O ATOM 151 CB GLU A 388 -6.090 7.108 5.934 1.00 0.00 C ATOM 152 CG GLU A 388 -6.745 8.475 5.978 1.00 0.00 C ATOM 153 CD GLU A 388 -7.822 8.569 7.039 1.00 0.00 C ATOM 154 OE1 GLU A 388 -8.749 7.733 7.020 1.00 0.00 O ATOM 155 OE2 GLU A 388 -7.734 9.473 7.894 1.00 0.00 O ATOM 0 H GLU A 388 -3.680 7.733 6.608 1.00 0.00 H new ATOM 0 HA GLU A 388 -6.083 6.836 8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -5.369 7.089 5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.850 6.361 5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.985 9.232 6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -7.179 8.698 5.003 1.00 0.00 H new ATOM 162 N GLU A 389 -5.419 4.396 7.933 1.00 0.00 N ATOM 163 CA GLU A 389 -5.009 3.013 7.842 1.00 0.00 C ATOM 164 C GLU A 389 -5.431 2.499 6.476 1.00 0.00 C ATOM 165 O GLU A 389 -6.614 2.258 6.229 1.00 0.00 O ATOM 166 CB GLU A 389 -5.649 2.179 8.957 1.00 0.00 C ATOM 167 CG GLU A 389 -4.797 1.005 9.418 1.00 0.00 C ATOM 168 CD GLU A 389 -3.728 1.411 10.415 1.00 0.00 C ATOM 169 OE1 GLU A 389 -4.078 2.023 11.447 1.00 0.00 O ATOM 170 OE2 GLU A 389 -2.537 1.126 10.169 1.00 0.00 O ATOM 0 H GLU A 389 -6.108 4.599 8.657 1.00 0.00 H new ATOM 0 HA GLU A 389 -3.929 2.931 7.962 1.00 0.00 H new ATOM 0 HB2 GLU A 389 -5.850 2.826 9.811 1.00 0.00 H new ATOM 0 HB3 GLU A 389 -6.611 1.802 8.609 1.00 0.00 H new ATOM 0 HG2 GLU A 389 -5.441 0.250 9.869 1.00 0.00 H new ATOM 0 HG3 GLU A 389 -4.323 0.543 8.552 1.00 0.00 H new ATOM 177 N VAL A 390 -4.466 2.346 5.582 1.00 0.00 N ATOM 178 CA VAL A 390 -4.769 1.883 4.254 1.00 0.00 C ATOM 179 C VAL A 390 -4.959 0.385 4.287 1.00 0.00 C ATOM 180 O VAL A 390 -4.065 -0.356 4.704 1.00 0.00 O ATOM 181 CB VAL A 390 -3.686 2.200 3.207 1.00 0.00 C ATOM 182 CG1 VAL A 390 -4.264 2.119 1.807 1.00 0.00 C ATOM 183 CG2 VAL A 390 -3.071 3.554 3.432 1.00 0.00 C ATOM 0 H VAL A 390 -3.479 2.536 5.757 1.00 0.00 H new ATOM 0 HA VAL A 390 -5.671 2.414 3.951 1.00 0.00 H new ATOM 0 HB VAL A 390 -2.899 1.454 3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -3.486 2.346 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -4.646 1.114 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -5.076 2.839 1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -2.312 3.740 2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -3.844 4.320 3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -2.611 3.585 4.420 1.00 0.00 H new ATOM 193 N ALA A 391 -6.100 -0.057 3.841 1.00 0.00 N ATOM 194 CA ALA A 391 -6.400 -1.463 3.826 1.00 0.00 C ATOM 195 C ALA A 391 -6.078 -2.033 2.465 1.00 0.00 C ATOM 196 O ALA A 391 -6.344 -1.397 1.452 1.00 0.00 O ATOM 197 CB ALA A 391 -7.861 -1.705 4.178 1.00 0.00 C ATOM 0 H ALA A 391 -6.844 0.540 3.480 1.00 0.00 H new ATOM 0 HA ALA A 391 -5.788 -1.965 4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -8.067 -2.775 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -8.065 -1.312 5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -8.499 -1.201 3.451 1.00 0.00 H new ATOM 203 N ASP A 392 -5.428 -3.180 2.464 1.00 0.00 N ATOM 204 CA ASP A 392 -5.083 -3.892 1.245 1.00 0.00 C ATOM 205 C ASP A 392 -6.350 -4.249 0.487 1.00 0.00 C ATOM 206 O ASP A 392 -6.889 -5.348 0.622 1.00 0.00 O ATOM 207 CB ASP A 392 -4.287 -5.158 1.579 1.00 0.00 C ATOM 208 CG ASP A 392 -4.648 -5.761 2.925 1.00 0.00 C ATOM 209 OD1 ASP A 392 -4.424 -5.098 3.966 1.00 0.00 O ATOM 210 OD2 ASP A 392 -5.130 -6.911 2.961 1.00 0.00 O ATOM 0 H ASP A 392 -5.121 -3.650 3.316 1.00 0.00 H new ATOM 0 HA ASP A 392 -4.463 -3.250 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 392 -4.456 -5.901 0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -3.223 -4.922 1.569 1.00 0.00 H new ATOM 215 N ASP A 393 -6.821 -3.306 -0.304 1.00 0.00 N ATOM 216 CA ASP A 393 -8.048 -3.483 -1.049 1.00 0.00 C ATOM 217 C ASP A 393 -7.794 -3.597 -2.543 1.00 0.00 C ATOM 218 O ASP A 393 -7.254 -2.683 -3.169 1.00 0.00 O ATOM 219 CB ASP A 393 -8.983 -2.316 -0.764 1.00 0.00 C ATOM 220 CG ASP A 393 -10.441 -2.676 -0.981 1.00 0.00 C ATOM 221 OD1 ASP A 393 -10.943 -3.592 -0.300 1.00 0.00 O ATOM 222 OD2 ASP A 393 -11.099 -2.040 -1.827 1.00 0.00 O ATOM 0 H ASP A 393 -6.368 -2.404 -0.447 1.00 0.00 H new ATOM 0 HA ASP A 393 -8.508 -4.417 -0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 393 -8.843 -1.985 0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 393 -8.719 -1.477 -1.408 1.00 0.00 H new ATOM 227 N PRO A 394 -8.170 -4.739 -3.127 1.00 0.00 N ATOM 228 CA PRO A 394 -8.006 -4.993 -4.555 1.00 0.00 C ATOM 229 C PRO A 394 -9.045 -4.255 -5.398 1.00 0.00 C ATOM 230 O PRO A 394 -10.012 -3.696 -4.873 1.00 0.00 O ATOM 231 CB PRO A 394 -8.211 -6.505 -4.662 1.00 0.00 C ATOM 232 CG PRO A 394 -9.126 -6.833 -3.538 1.00 0.00 C ATOM 233 CD PRO A 394 -8.779 -5.882 -2.426 1.00 0.00 C ATOM 0 HA PRO A 394 -7.041 -4.648 -4.926 1.00 0.00 H new ATOM 0 HB2 PRO A 394 -8.647 -6.780 -5.623 1.00 0.00 H new ATOM 0 HB3 PRO A 394 -7.266 -7.041 -4.575 1.00 0.00 H new ATOM 0 HG2 PRO A 394 -10.168 -6.719 -3.838 1.00 0.00 H new ATOM 0 HG3 PRO A 394 -8.997 -7.868 -3.220 1.00 0.00 H new ATOM 0 HD2 PRO A 394 -9.663 -5.583 -1.864 1.00 0.00 H new ATOM 0 HD3 PRO A 394 -8.086 -6.332 -1.715 1.00 0.00 H new ATOM 241 N ILE A 395 -8.850 -4.276 -6.704 1.00 0.00 N ATOM 242 CA ILE A 395 -9.759 -3.611 -7.625 1.00 0.00 C ATOM 243 C ILE A 395 -10.659 -4.634 -8.308 1.00 0.00 C ATOM 244 O ILE A 395 -10.184 -5.578 -8.939 1.00 0.00 O ATOM 245 CB ILE A 395 -8.984 -2.793 -8.691 1.00 0.00 C ATOM 246 CG1 ILE A 395 -8.483 -1.478 -8.095 1.00 0.00 C ATOM 247 CG2 ILE A 395 -9.841 -2.518 -9.923 1.00 0.00 C ATOM 248 CD1 ILE A 395 -9.588 -0.554 -7.625 1.00 0.00 C ATOM 0 H ILE A 395 -8.066 -4.749 -7.154 1.00 0.00 H new ATOM 0 HA ILE A 395 -10.373 -2.920 -7.047 1.00 0.00 H new ATOM 0 HB ILE A 395 -8.129 -3.391 -9.005 1.00 0.00 H new ATOM 0 HG12 ILE A 395 -7.826 -1.699 -7.254 1.00 0.00 H new ATOM 0 HG13 ILE A 395 -7.882 -0.959 -8.841 1.00 0.00 H new ATOM 0 HG21 ILE A 395 -9.264 -1.943 -10.647 1.00 0.00 H new ATOM 0 HG22 ILE A 395 -10.147 -3.463 -10.372 1.00 0.00 H new ATOM 0 HG23 ILE A 395 -10.725 -1.951 -9.632 1.00 0.00 H new ATOM 0 HD11 ILE A 395 -9.151 0.357 -7.215 1.00 0.00 H new ATOM 0 HD12 ILE A 395 -10.233 -0.301 -8.466 1.00 0.00 H new ATOM 0 HD13 ILE A 395 -10.176 -1.053 -6.855 1.00 0.00 H new ATOM 260 N VAL A 396 -11.955 -4.442 -8.162 1.00 0.00 N ATOM 261 CA VAL A 396 -12.943 -5.319 -8.757 1.00 0.00 C ATOM 262 C VAL A 396 -13.881 -4.492 -9.630 1.00 0.00 C ATOM 263 O VAL A 396 -14.562 -3.583 -9.154 1.00 0.00 O ATOM 264 CB VAL A 396 -13.716 -6.115 -7.671 1.00 0.00 C ATOM 265 CG1 VAL A 396 -13.963 -5.274 -6.433 1.00 0.00 C ATOM 266 CG2 VAL A 396 -15.014 -6.691 -8.210 1.00 0.00 C ATOM 0 H VAL A 396 -12.353 -3.671 -7.626 1.00 0.00 H new ATOM 0 HA VAL A 396 -12.442 -6.058 -9.383 1.00 0.00 H new ATOM 0 HB VAL A 396 -13.083 -6.953 -7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 396 -14.506 -5.864 -5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 396 -13.009 -4.956 -6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 396 -14.552 -4.397 -6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 396 -15.524 -7.240 -7.419 1.00 0.00 H new ATOM 0 HG22 VAL A 396 -15.654 -5.881 -8.560 1.00 0.00 H new ATOM 0 HG23 VAL A 396 -14.797 -7.366 -9.038 1.00 0.00 H new ATOM 276 N MET A 397 -13.893 -4.799 -10.916 1.00 0.00 N ATOM 277 CA MET A 397 -14.699 -4.062 -11.864 1.00 0.00 C ATOM 278 C MET A 397 -16.107 -4.611 -11.908 1.00 0.00 C ATOM 279 O MET A 397 -16.314 -5.820 -11.841 1.00 0.00 O ATOM 280 CB MET A 397 -14.064 -4.121 -13.255 1.00 0.00 C ATOM 281 CG MET A 397 -12.556 -3.925 -13.240 1.00 0.00 C ATOM 282 SD MET A 397 -11.834 -3.894 -14.890 1.00 0.00 S ATOM 283 CE MET A 397 -12.201 -2.213 -15.384 1.00 0.00 C ATOM 0 H MET A 397 -13.349 -5.559 -11.326 1.00 0.00 H new ATOM 0 HA MET A 397 -14.746 -3.022 -11.541 1.00 0.00 H new ATOM 0 HB2 MET A 397 -14.293 -5.085 -13.710 1.00 0.00 H new ATOM 0 HB3 MET A 397 -14.516 -3.355 -13.885 1.00 0.00 H new ATOM 0 HG2 MET A 397 -12.322 -2.991 -12.729 1.00 0.00 H new ATOM 0 HG3 MET A 397 -12.096 -4.728 -12.663 1.00 0.00 H new ATOM 0 HE1 MET A 397 -12.533 -2.203 -16.422 1.00 0.00 H new ATOM 0 HE2 MET A 397 -12.989 -1.810 -14.747 1.00 0.00 H new ATOM 0 HE3 MET A 397 -11.305 -1.600 -15.284 1.00 0.00 H new ATOM 293 N VAL A 398 -17.061 -3.707 -11.977 1.00 0.00 N ATOM 294 CA VAL A 398 -18.459 -4.067 -12.051 1.00 0.00 C ATOM 295 C VAL A 398 -19.095 -3.390 -13.253 1.00 0.00 C ATOM 296 O VAL A 398 -19.156 -2.156 -13.320 1.00 0.00 O ATOM 297 CB VAL A 398 -19.226 -3.669 -10.784 1.00 0.00 C ATOM 298 CG1 VAL A 398 -20.697 -3.984 -10.956 1.00 0.00 C ATOM 299 CG2 VAL A 398 -18.661 -4.381 -9.564 1.00 0.00 C ATOM 0 H VAL A 398 -16.888 -2.702 -11.983 1.00 0.00 H new ATOM 0 HA VAL A 398 -18.514 -5.151 -12.149 1.00 0.00 H new ATOM 0 HB VAL A 398 -19.111 -2.597 -10.626 1.00 0.00 H new ATOM 0 HG11 VAL A 398 -21.238 -3.700 -10.053 1.00 0.00 H new ATOM 0 HG12 VAL A 398 -21.091 -3.427 -11.806 1.00 0.00 H new ATOM 0 HG13 VAL A 398 -20.822 -5.052 -11.133 1.00 0.00 H new ATOM 0 HG21 VAL A 398 -19.221 -4.083 -8.677 1.00 0.00 H new ATOM 0 HG22 VAL A 398 -18.745 -5.459 -9.701 1.00 0.00 H new ATOM 0 HG23 VAL A 398 -17.612 -4.111 -9.439 1.00 0.00 H new ATOM 309 N ALA A 399 -19.551 -4.200 -14.196 1.00 0.00 N ATOM 310 CA ALA A 399 -20.165 -3.721 -15.422 1.00 0.00 C ATOM 311 C ALA A 399 -19.157 -2.896 -16.217 1.00 0.00 C ATOM 312 O ALA A 399 -19.523 -1.979 -16.953 1.00 0.00 O ATOM 313 CB ALA A 399 -21.429 -2.922 -15.125 1.00 0.00 C ATOM 0 H ALA A 399 -19.504 -5.217 -14.130 1.00 0.00 H new ATOM 0 HA ALA A 399 -20.462 -4.578 -16.026 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.868 -2.575 -16.060 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -22.145 -3.555 -14.600 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -21.179 -2.064 -14.502 1.00 0.00 H new ATOM 319 N GLY A 400 -17.873 -3.219 -16.043 1.00 0.00 N ATOM 320 CA GLY A 400 -16.827 -2.510 -16.752 1.00 0.00 C ATOM 321 C GLY A 400 -16.264 -1.347 -15.958 1.00 0.00 C ATOM 322 O GLY A 400 -15.207 -0.814 -16.291 1.00 0.00 O ATOM 0 H GLY A 400 -17.544 -3.959 -15.423 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -16.022 -3.204 -16.992 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -17.222 -2.141 -17.699 1.00 0.00 H new ATOM 326 N ARG A 401 -16.963 -0.955 -14.901 1.00 0.00 N ATOM 327 CA ARG A 401 -16.516 0.152 -14.066 1.00 0.00 C ATOM 328 C ARG A 401 -15.597 -0.369 -12.969 1.00 0.00 C ATOM 329 O ARG A 401 -16.001 -1.202 -12.160 1.00 0.00 O ATOM 330 CB ARG A 401 -17.711 0.888 -13.451 1.00 0.00 C ATOM 331 CG ARG A 401 -18.698 1.425 -14.474 1.00 0.00 C ATOM 332 CD ARG A 401 -19.985 0.615 -14.483 1.00 0.00 C ATOM 333 NE ARG A 401 -21.018 1.196 -13.620 1.00 0.00 N ATOM 334 CZ ARG A 401 -21.808 0.478 -12.815 1.00 0.00 C ATOM 335 NH1 ARG A 401 -21.601 -0.825 -12.662 1.00 0.00 N ATOM 336 NH2 ARG A 401 -22.784 1.071 -12.136 1.00 0.00 N ATOM 0 H ARG A 401 -17.838 -1.385 -14.602 1.00 0.00 H new ATOM 0 HA ARG A 401 -15.967 0.858 -14.689 1.00 0.00 H new ATOM 0 HB2 ARG A 401 -18.235 0.210 -12.777 1.00 0.00 H new ATOM 0 HB3 ARG A 401 -17.342 1.717 -12.847 1.00 0.00 H new ATOM 0 HG2 ARG A 401 -18.924 2.468 -14.251 1.00 0.00 H new ATOM 0 HG3 ARG A 401 -18.245 1.402 -15.465 1.00 0.00 H new ATOM 0 HD2 ARG A 401 -20.363 0.550 -15.503 1.00 0.00 H new ATOM 0 HD3 ARG A 401 -19.773 -0.403 -14.156 1.00 0.00 H new ATOM 0 HE ARG A 401 -21.141 2.208 -13.635 1.00 0.00 H new ATOM 0 HH11 ARG A 401 -20.837 -1.282 -13.160 1.00 0.00 H new ATOM 0 HH12 ARG A 401 -22.206 -1.369 -12.047 1.00 0.00 H new ATOM 0 HH21 ARG A 401 -22.932 2.076 -12.228 1.00 0.00 H new ATOM 0 HH22 ARG A 401 -23.385 0.521 -11.522 1.00 0.00 H new ATOM 350 N PRO A 402 -14.345 0.103 -12.935 1.00 0.00 N ATOM 351 CA PRO A 402 -13.366 -0.341 -11.942 1.00 0.00 C ATOM 352 C PRO A 402 -13.602 0.243 -10.552 1.00 0.00 C ATOM 353 O PRO A 402 -13.375 1.428 -10.310 1.00 0.00 O ATOM 354 CB PRO A 402 -12.038 0.151 -12.516 1.00 0.00 C ATOM 355 CG PRO A 402 -12.391 1.341 -13.342 1.00 0.00 C ATOM 356 CD PRO A 402 -13.785 1.104 -13.862 1.00 0.00 C ATOM 0 HA PRO A 402 -13.415 -1.419 -11.789 1.00 0.00 H new ATOM 0 HB2 PRO A 402 -11.339 0.415 -11.723 1.00 0.00 H new ATOM 0 HB3 PRO A 402 -11.559 -0.620 -13.119 1.00 0.00 H new ATOM 0 HG2 PRO A 402 -12.349 2.253 -12.746 1.00 0.00 H new ATOM 0 HG3 PRO A 402 -11.686 1.465 -14.164 1.00 0.00 H new ATOM 0 HD2 PRO A 402 -14.373 2.022 -13.861 1.00 0.00 H new ATOM 0 HD3 PRO A 402 -13.771 0.735 -14.888 1.00 0.00 H new ATOM 364 N PHE A 403 -14.072 -0.601 -9.647 1.00 0.00 N ATOM 365 CA PHE A 403 -14.313 -0.201 -8.270 1.00 0.00 C ATOM 366 C PHE A 403 -13.372 -0.973 -7.365 1.00 0.00 C ATOM 367 O PHE A 403 -12.731 -1.924 -7.802 1.00 0.00 O ATOM 368 CB PHE A 403 -15.757 -0.504 -7.853 1.00 0.00 C ATOM 369 CG PHE A 403 -16.807 0.161 -8.697 1.00 0.00 C ATOM 370 CD1 PHE A 403 -16.948 1.539 -8.705 1.00 0.00 C ATOM 371 CD2 PHE A 403 -17.659 -0.602 -9.480 1.00 0.00 C ATOM 372 CE1 PHE A 403 -17.919 2.144 -9.482 1.00 0.00 C ATOM 373 CE2 PHE A 403 -18.630 -0.003 -10.257 1.00 0.00 C ATOM 374 CZ PHE A 403 -18.762 1.371 -10.260 1.00 0.00 C ATOM 0 H PHE A 403 -14.296 -1.576 -9.844 1.00 0.00 H new ATOM 0 HA PHE A 403 -14.143 0.872 -8.184 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -15.912 -1.582 -7.887 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -15.894 -0.195 -6.817 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -16.293 2.147 -8.098 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -17.562 -1.678 -9.482 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -18.019 3.219 -9.481 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -19.287 -0.610 -10.863 1.00 0.00 H new ATOM 0 HZ PHE A 403 -19.521 1.841 -10.868 1.00 0.00 H new ATOM 384 N SER A 404 -13.264 -0.563 -6.122 1.00 0.00 N ATOM 385 CA SER A 404 -12.425 -1.275 -5.181 1.00 0.00 C ATOM 386 C SER A 404 -13.271 -2.333 -4.480 1.00 0.00 C ATOM 387 O SER A 404 -14.498 -2.286 -4.545 1.00 0.00 O ATOM 388 CB SER A 404 -11.812 -0.304 -4.178 1.00 0.00 C ATOM 389 OG SER A 404 -11.323 0.858 -4.830 1.00 0.00 O ATOM 0 H SER A 404 -13.742 0.253 -5.740 1.00 0.00 H new ATOM 0 HA SER A 404 -11.604 -1.763 -5.706 1.00 0.00 H new ATOM 0 HB2 SER A 404 -12.559 -0.022 -3.436 1.00 0.00 H new ATOM 0 HB3 SER A 404 -10.999 -0.794 -3.642 1.00 0.00 H new ATOM 0 HG SER A 404 -10.936 1.467 -4.167 1.00 0.00 H new ATOM 395 N TYR A 405 -12.632 -3.279 -3.824 1.00 0.00 N ATOM 396 CA TYR A 405 -13.343 -4.345 -3.135 1.00 0.00 C ATOM 397 C TYR A 405 -14.221 -3.778 -2.029 1.00 0.00 C ATOM 398 O TYR A 405 -15.400 -4.113 -1.942 1.00 0.00 O ATOM 399 CB TYR A 405 -12.367 -5.374 -2.563 1.00 0.00 C ATOM 400 CG TYR A 405 -13.050 -6.522 -1.855 1.00 0.00 C ATOM 401 CD1 TYR A 405 -13.344 -6.455 -0.497 1.00 0.00 C ATOM 402 CD2 TYR A 405 -13.412 -7.668 -2.547 1.00 0.00 C ATOM 403 CE1 TYR A 405 -13.978 -7.496 0.148 1.00 0.00 C ATOM 404 CE2 TYR A 405 -14.046 -8.716 -1.908 1.00 0.00 C ATOM 405 CZ TYR A 405 -14.327 -8.624 -0.561 1.00 0.00 C ATOM 406 OH TYR A 405 -14.964 -9.662 0.078 1.00 0.00 O ATOM 0 H TYR A 405 -11.616 -3.335 -3.751 1.00 0.00 H new ATOM 0 HA TYR A 405 -13.981 -4.847 -3.863 1.00 0.00 H new ATOM 0 HB2 TYR A 405 -11.753 -5.770 -3.372 1.00 0.00 H new ATOM 0 HB3 TYR A 405 -11.693 -4.876 -1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 405 -13.071 -5.572 0.062 1.00 0.00 H new ATOM 0 HD2 TYR A 405 -13.195 -7.742 -3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 405 -14.200 -7.427 1.203 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -14.320 -9.603 -2.460 1.00 0.00 H new ATOM 0 HH TYR A 405 -15.352 -10.267 -0.588 1.00 0.00 H new ATOM 416 N SER A 406 -13.648 -2.910 -1.202 1.00 0.00 N ATOM 417 CA SER A 406 -14.388 -2.287 -0.109 1.00 0.00 C ATOM 418 C SER A 406 -15.459 -1.349 -0.662 1.00 0.00 C ATOM 419 O SER A 406 -16.386 -0.952 0.040 1.00 0.00 O ATOM 420 CB SER A 406 -13.433 -1.529 0.815 1.00 0.00 C ATOM 421 OG SER A 406 -12.535 -2.420 1.456 1.00 0.00 O ATOM 0 H SER A 406 -12.672 -2.621 -1.268 1.00 0.00 H new ATOM 0 HA SER A 406 -14.880 -3.068 0.471 1.00 0.00 H new ATOM 0 HB2 SER A 406 -12.872 -0.792 0.240 1.00 0.00 H new ATOM 0 HB3 SER A 406 -14.004 -0.981 1.564 1.00 0.00 H new ATOM 0 HG SER A 406 -12.227 -3.093 0.813 1.00 0.00 H new ATOM 427 N GLU A 407 -15.328 -1.024 -1.937 1.00 0.00 N ATOM 428 CA GLU A 407 -16.269 -0.159 -2.620 1.00 0.00 C ATOM 429 C GLU A 407 -17.447 -0.996 -3.107 1.00 0.00 C ATOM 430 O GLU A 407 -18.616 -0.700 -2.830 1.00 0.00 O ATOM 431 CB GLU A 407 -15.565 0.515 -3.798 1.00 0.00 C ATOM 432 CG GLU A 407 -14.810 1.780 -3.425 1.00 0.00 C ATOM 433 CD GLU A 407 -15.730 2.888 -2.967 1.00 0.00 C ATOM 434 OE1 GLU A 407 -16.217 3.649 -3.825 1.00 0.00 O ATOM 435 OE2 GLU A 407 -15.999 2.980 -1.753 1.00 0.00 O ATOM 0 H GLU A 407 -14.564 -1.354 -2.527 1.00 0.00 H new ATOM 0 HA GLU A 407 -16.638 0.612 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -14.868 -0.194 -4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -16.306 0.757 -4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -14.097 1.553 -2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -14.234 2.122 -4.285 1.00 0.00 H new ATOM 442 N VAL A 408 -17.109 -2.065 -3.811 1.00 0.00 N ATOM 443 CA VAL A 408 -18.088 -2.989 -4.352 1.00 0.00 C ATOM 444 C VAL A 408 -18.897 -3.637 -3.225 1.00 0.00 C ATOM 445 O VAL A 408 -20.107 -3.810 -3.340 1.00 0.00 O ATOM 446 CB VAL A 408 -17.393 -4.087 -5.192 1.00 0.00 C ATOM 447 CG1 VAL A 408 -18.383 -5.118 -5.682 1.00 0.00 C ATOM 448 CG2 VAL A 408 -16.655 -3.484 -6.374 1.00 0.00 C ATOM 0 H VAL A 408 -16.143 -2.315 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 408 -18.764 -2.426 -4.995 1.00 0.00 H new ATOM 0 HB VAL A 408 -16.673 -4.581 -4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 408 -17.861 -5.874 -6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 408 -18.868 -5.592 -4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 408 -19.136 -4.633 -6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 408 -16.176 -4.278 -6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 408 -17.362 -2.952 -7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 408 -15.897 -2.789 -6.013 1.00 0.00 H new ATOM 458 N SER A 409 -18.223 -3.955 -2.126 1.00 0.00 N ATOM 459 CA SER A 409 -18.876 -4.591 -0.982 1.00 0.00 C ATOM 460 C SER A 409 -19.801 -3.622 -0.254 1.00 0.00 C ATOM 461 O SER A 409 -20.776 -4.033 0.375 1.00 0.00 O ATOM 462 CB SER A 409 -17.832 -5.139 -0.006 1.00 0.00 C ATOM 463 OG SER A 409 -16.826 -4.180 0.261 1.00 0.00 O ATOM 0 H SER A 409 -17.225 -3.784 -2.000 1.00 0.00 H new ATOM 0 HA SER A 409 -19.479 -5.414 -1.367 1.00 0.00 H new ATOM 0 HB2 SER A 409 -18.318 -5.428 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 409 -17.379 -6.039 -0.422 1.00 0.00 H new ATOM 0 HG SER A 409 -16.104 -4.271 -0.396 1.00 0.00 H new ATOM 469 N GLN A 410 -19.489 -2.334 -0.333 1.00 0.00 N ATOM 470 CA GLN A 410 -20.302 -1.321 0.320 1.00 0.00 C ATOM 471 C GLN A 410 -21.557 -1.029 -0.487 1.00 0.00 C ATOM 472 O GLN A 410 -22.524 -0.481 0.037 1.00 0.00 O ATOM 473 CB GLN A 410 -19.502 -0.036 0.533 1.00 0.00 C ATOM 474 CG GLN A 410 -18.729 -0.013 1.843 1.00 0.00 C ATOM 475 CD GLN A 410 -19.633 -0.120 3.055 1.00 0.00 C ATOM 476 OE1 GLN A 410 -19.886 -1.341 3.502 1.00 0.00 O flip ATOM 477 NE2 GLN A 410 -20.100 0.884 3.584 1.00 0.00 N flip ATOM 0 H GLN A 410 -18.683 -1.970 -0.841 1.00 0.00 H new ATOM 0 HA GLN A 410 -20.600 -1.710 1.294 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -18.803 0.089 -0.294 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -20.183 0.815 0.507 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -18.014 -0.836 1.853 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -18.153 0.910 1.904 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -19.881 1.807 3.209 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -20.707 0.796 4.399 1.00 0.00 H new ATOM 486 N ARG A 411 -21.532 -1.375 -1.766 1.00 0.00 N ATOM 487 CA ARG A 411 -22.686 -1.153 -2.624 1.00 0.00 C ATOM 488 C ARG A 411 -23.311 -2.464 -3.085 1.00 0.00 C ATOM 489 O ARG A 411 -22.845 -3.084 -4.049 1.00 0.00 O ATOM 490 CB ARG A 411 -22.300 -0.328 -3.839 1.00 0.00 C ATOM 491 CG ARG A 411 -22.568 1.152 -3.677 1.00 0.00 C ATOM 492 CD ARG A 411 -21.302 1.949 -3.890 1.00 0.00 C ATOM 493 NE ARG A 411 -20.502 2.050 -2.673 1.00 0.00 N ATOM 494 CZ ARG A 411 -19.264 2.535 -2.645 1.00 0.00 C ATOM 495 NH1 ARG A 411 -18.719 3.013 -3.756 1.00 0.00 N ATOM 496 NH2 ARG A 411 -18.577 2.554 -1.510 1.00 0.00 N ATOM 0 H ARG A 411 -20.732 -1.807 -2.229 1.00 0.00 H new ATOM 0 HA ARG A 411 -23.422 -0.610 -2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 411 -21.240 -0.476 -4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 411 -22.849 -0.695 -4.706 1.00 0.00 H new ATOM 0 HG2 ARG A 411 -23.328 1.469 -4.391 1.00 0.00 H new ATOM 0 HG3 ARG A 411 -22.964 1.348 -2.681 1.00 0.00 H new ATOM 0 HD2 ARG A 411 -20.708 1.481 -4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 411 -21.559 2.950 -4.238 1.00 0.00 H new ATOM 0 HE ARG A 411 -20.915 1.731 -1.797 1.00 0.00 H new ATOM 0 HH11 ARG A 411 -19.249 3.008 -4.627 1.00 0.00 H new ATOM 0 HH12 ARG A 411 -17.770 3.386 -3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 411 -18.998 2.195 -0.653 1.00 0.00 H new ATOM 0 HH22 ARG A 411 -17.628 2.927 -1.495 1.00 0.00 H new ATOM 510 N PRO A 412 -24.383 -2.902 -2.411 1.00 0.00 N ATOM 511 CA PRO A 412 -25.094 -4.127 -2.769 1.00 0.00 C ATOM 512 C PRO A 412 -25.632 -4.065 -4.198 1.00 0.00 C ATOM 513 O PRO A 412 -25.784 -5.093 -4.857 1.00 0.00 O ATOM 514 CB PRO A 412 -26.249 -4.189 -1.763 1.00 0.00 C ATOM 515 CG PRO A 412 -25.817 -3.327 -0.628 1.00 0.00 C ATOM 516 CD PRO A 412 -24.979 -2.242 -1.236 1.00 0.00 C ATOM 0 HA PRO A 412 -24.447 -5.004 -2.734 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -27.177 -3.825 -2.204 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -26.432 -5.212 -1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -26.677 -2.910 -0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -25.246 -3.900 0.103 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -25.581 -1.379 -1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -24.217 -1.885 -0.544 1.00 0.00 H new ATOM 524 N GLU A 413 -25.897 -2.849 -4.677 1.00 0.00 N ATOM 525 CA GLU A 413 -26.413 -2.655 -6.024 1.00 0.00 C ATOM 526 C GLU A 413 -25.317 -2.927 -7.033 1.00 0.00 C ATOM 527 O GLU A 413 -25.578 -3.431 -8.118 1.00 0.00 O ATOM 528 CB GLU A 413 -26.942 -1.233 -6.235 1.00 0.00 C ATOM 529 CG GLU A 413 -27.480 -0.576 -4.982 1.00 0.00 C ATOM 530 CD GLU A 413 -26.413 0.228 -4.273 1.00 0.00 C ATOM 531 OE1 GLU A 413 -25.627 -0.377 -3.522 1.00 0.00 O ATOM 532 OE2 GLU A 413 -26.341 1.451 -4.492 1.00 0.00 O ATOM 0 H GLU A 413 -25.761 -1.987 -4.149 1.00 0.00 H new ATOM 0 HA GLU A 413 -27.241 -3.350 -6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -26.140 -0.616 -6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -27.732 -1.260 -6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -28.315 0.075 -5.242 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -27.869 -1.340 -4.308 1.00 0.00 H new ATOM 539 N LEU A 414 -24.083 -2.593 -6.670 1.00 0.00 N ATOM 540 CA LEU A 414 -22.952 -2.820 -7.553 1.00 0.00 C ATOM 541 C LEU A 414 -22.767 -4.310 -7.763 1.00 0.00 C ATOM 542 O LEU A 414 -22.616 -4.770 -8.882 1.00 0.00 O ATOM 543 CB LEU A 414 -21.670 -2.200 -6.994 1.00 0.00 C ATOM 544 CG LEU A 414 -21.549 -0.685 -7.170 1.00 0.00 C ATOM 545 CD1 LEU A 414 -20.170 -0.209 -6.743 1.00 0.00 C ATOM 546 CD2 LEU A 414 -21.831 -0.289 -8.613 1.00 0.00 C ATOM 0 H LEU A 414 -23.844 -2.167 -5.775 1.00 0.00 H new ATOM 0 HA LEU A 414 -23.160 -2.338 -8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 414 -21.606 -2.432 -5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -20.815 -2.675 -7.476 1.00 0.00 H new ATOM 0 HG LEU A 414 -22.291 -0.204 -6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -20.101 0.871 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -20.008 -0.458 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -19.411 -0.698 -7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -21.740 0.792 -8.718 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -21.114 -0.779 -9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -22.841 -0.596 -8.884 1.00 0.00 H new ATOM 558 N VAL A 415 -22.836 -5.066 -6.682 1.00 0.00 N ATOM 559 CA VAL A 415 -22.690 -6.513 -6.757 1.00 0.00 C ATOM 560 C VAL A 415 -23.904 -7.108 -7.472 1.00 0.00 C ATOM 561 O VAL A 415 -23.845 -8.202 -8.043 1.00 0.00 O ATOM 562 CB VAL A 415 -22.526 -7.113 -5.338 1.00 0.00 C ATOM 563 CG1 VAL A 415 -22.517 -8.634 -5.360 1.00 0.00 C ATOM 564 CG2 VAL A 415 -21.254 -6.587 -4.696 1.00 0.00 C ATOM 0 H VAL A 415 -22.992 -4.705 -5.741 1.00 0.00 H new ATOM 0 HA VAL A 415 -21.793 -6.760 -7.326 1.00 0.00 H new ATOM 0 HB VAL A 415 -23.387 -6.802 -4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 415 -22.400 -9.012 -4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 415 -23.456 -8.997 -5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 415 -21.688 -8.984 -5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 415 -21.146 -7.014 -3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 415 -20.395 -6.868 -5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 415 -21.306 -5.501 -4.622 1.00 0.00 H new ATOM 574 N ALA A 416 -24.992 -6.352 -7.460 1.00 0.00 N ATOM 575 CA ALA A 416 -26.223 -6.751 -8.121 1.00 0.00 C ATOM 576 C ALA A 416 -26.154 -6.423 -9.611 1.00 0.00 C ATOM 577 O ALA A 416 -26.885 -6.992 -10.418 1.00 0.00 O ATOM 578 CB ALA A 416 -27.403 -6.048 -7.475 1.00 0.00 C ATOM 0 H ALA A 416 -25.045 -5.447 -6.993 1.00 0.00 H new ATOM 0 HA ALA A 416 -26.353 -7.828 -8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 416 -28.324 -6.350 -7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 416 -27.455 -6.319 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 416 -27.278 -4.969 -7.566 1.00 0.00 H new ATOM 584 N GLN A 417 -25.257 -5.506 -9.963 1.00 0.00 N ATOM 585 CA GLN A 417 -25.067 -5.096 -11.346 1.00 0.00 C ATOM 586 C GLN A 417 -23.870 -5.831 -11.893 1.00 0.00 C ATOM 587 O GLN A 417 -23.607 -5.829 -13.094 1.00 0.00 O ATOM 588 CB GLN A 417 -24.814 -3.585 -11.453 1.00 0.00 C ATOM 589 CG GLN A 417 -25.997 -2.718 -11.060 1.00 0.00 C ATOM 590 CD GLN A 417 -25.578 -1.326 -10.622 1.00 0.00 C ATOM 591 OE1 GLN A 417 -24.558 -0.794 -11.070 1.00 0.00 O ATOM 592 NE2 GLN A 417 -26.361 -0.725 -9.739 1.00 0.00 N ATOM 0 H GLN A 417 -24.646 -5.030 -9.300 1.00 0.00 H new ATOM 0 HA GLN A 417 -25.970 -5.330 -11.911 1.00 0.00 H new ATOM 0 HB2 GLN A 417 -23.964 -3.326 -10.821 1.00 0.00 H new ATOM 0 HB3 GLN A 417 -24.532 -3.349 -12.479 1.00 0.00 H new ATOM 0 HG2 GLN A 417 -26.682 -2.639 -11.904 1.00 0.00 H new ATOM 0 HG3 GLN A 417 -26.544 -3.201 -10.250 1.00 0.00 H new ATOM 0 HE21 GLN A 417 -27.196 -1.198 -9.392 1.00 0.00 H new ATOM 0 HE22 GLN A 417 -26.129 0.211 -9.406 1.00 0.00 H new ATOM 601 N MET A 418 -23.145 -6.457 -10.980 1.00 0.00 N ATOM 602 CA MET A 418 -21.965 -7.189 -11.326 1.00 0.00 C ATOM 603 C MET A 418 -22.368 -8.532 -11.887 1.00 0.00 C ATOM 604 O MET A 418 -23.223 -9.241 -11.337 1.00 0.00 O ATOM 605 CB MET A 418 -21.039 -7.311 -10.110 1.00 0.00 C ATOM 606 CG MET A 418 -20.911 -8.705 -9.538 1.00 0.00 C ATOM 607 SD MET A 418 -20.204 -8.697 -7.881 1.00 0.00 S ATOM 608 CE MET A 418 -18.741 -7.702 -8.154 1.00 0.00 C ATOM 0 H MET A 418 -23.368 -6.465 -9.985 1.00 0.00 H new ATOM 0 HA MET A 418 -21.401 -6.660 -12.094 1.00 0.00 H new ATOM 0 HB2 MET A 418 -20.047 -6.958 -10.392 1.00 0.00 H new ATOM 0 HB3 MET A 418 -21.404 -6.646 -9.327 1.00 0.00 H new ATOM 0 HG2 MET A 418 -21.893 -9.176 -9.510 1.00 0.00 H new ATOM 0 HG3 MET A 418 -20.286 -9.310 -10.195 1.00 0.00 H new ATOM 0 HE1 MET A 418 -18.076 -7.790 -7.295 1.00 0.00 H new ATOM 0 HE2 MET A 418 -18.226 -8.051 -9.049 1.00 0.00 H new ATOM 0 HE3 MET A 418 -19.029 -6.659 -8.285 1.00 0.00 H new ATOM 618 N THR A 419 -21.749 -8.855 -12.983 1.00 0.00 N ATOM 619 CA THR A 419 -22.024 -10.092 -13.701 1.00 0.00 C ATOM 620 C THR A 419 -21.501 -11.289 -12.917 1.00 0.00 C ATOM 621 O THR A 419 -20.834 -11.109 -11.900 1.00 0.00 O ATOM 622 CB THR A 419 -21.374 -10.073 -15.103 1.00 0.00 C ATOM 623 OG1 THR A 419 -19.949 -10.145 -14.987 1.00 0.00 O ATOM 624 CG2 THR A 419 -21.761 -8.815 -15.867 1.00 0.00 C ATOM 0 H THR A 419 -21.033 -8.273 -13.418 1.00 0.00 H new ATOM 0 HA THR A 419 -23.105 -10.178 -13.815 1.00 0.00 H new ATOM 0 HB THR A 419 -21.738 -10.940 -15.655 1.00 0.00 H new ATOM 0 HG1 THR A 419 -19.563 -10.404 -15.850 1.00 0.00 H new ATOM 0 HG21 THR A 419 -21.290 -8.827 -16.850 1.00 0.00 H new ATOM 0 HG22 THR A 419 -22.844 -8.779 -15.984 1.00 0.00 H new ATOM 0 HG23 THR A 419 -21.426 -7.937 -15.315 1.00 0.00 H new ATOM 632 N PRO A 420 -21.836 -12.526 -13.329 1.00 0.00 N ATOM 633 CA PRO A 420 -21.332 -13.726 -12.659 1.00 0.00 C ATOM 634 C PRO A 420 -19.809 -13.693 -12.586 1.00 0.00 C ATOM 635 O PRO A 420 -19.222 -13.910 -11.530 1.00 0.00 O ATOM 636 CB PRO A 420 -21.812 -14.872 -13.554 1.00 0.00 C ATOM 637 CG PRO A 420 -23.002 -14.325 -14.263 1.00 0.00 C ATOM 638 CD PRO A 420 -22.738 -12.856 -14.448 1.00 0.00 C ATOM 0 HA PRO A 420 -21.684 -13.822 -11.632 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -21.037 -15.176 -14.258 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -22.072 -15.752 -12.966 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -23.145 -14.819 -15.224 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -23.910 -14.488 -13.683 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -22.274 -12.650 -15.412 1.00 0.00 H new ATOM 0 HD3 PRO A 420 -23.659 -12.274 -14.407 1.00 0.00 H new ATOM 646 N GLU A 421 -19.183 -13.364 -13.712 1.00 0.00 N ATOM 647 CA GLU A 421 -17.730 -13.272 -13.788 1.00 0.00 C ATOM 648 C GLU A 421 -17.210 -12.282 -12.753 1.00 0.00 C ATOM 649 O GLU A 421 -16.253 -12.568 -12.036 1.00 0.00 O ATOM 650 CB GLU A 421 -17.273 -12.825 -15.183 1.00 0.00 C ATOM 651 CG GLU A 421 -18.023 -13.480 -16.332 1.00 0.00 C ATOM 652 CD GLU A 421 -19.338 -12.790 -16.625 1.00 0.00 C ATOM 653 OE1 GLU A 421 -19.314 -11.649 -17.123 1.00 0.00 O ATOM 654 OE2 GLU A 421 -20.393 -13.376 -16.320 1.00 0.00 O ATOM 0 H GLU A 421 -19.663 -13.156 -14.588 1.00 0.00 H new ATOM 0 HA GLU A 421 -17.326 -14.264 -13.587 1.00 0.00 H new ATOM 0 HB2 GLU A 421 -17.388 -11.744 -15.260 1.00 0.00 H new ATOM 0 HB3 GLU A 421 -16.210 -13.041 -15.290 1.00 0.00 H new ATOM 0 HG2 GLU A 421 -17.400 -13.464 -17.226 1.00 0.00 H new ATOM 0 HG3 GLU A 421 -18.210 -14.527 -16.092 1.00 0.00 H new ATOM 661 N GLU A 422 -17.855 -11.121 -12.673 1.00 0.00 N ATOM 662 CA GLU A 422 -17.470 -10.086 -11.733 1.00 0.00 C ATOM 663 C GLU A 422 -17.766 -10.520 -10.299 1.00 0.00 C ATOM 664 O GLU A 422 -16.971 -10.283 -9.393 1.00 0.00 O ATOM 665 CB GLU A 422 -18.197 -8.798 -12.105 1.00 0.00 C ATOM 666 CG GLU A 422 -17.788 -8.294 -13.477 1.00 0.00 C ATOM 667 CD GLU A 422 -18.530 -7.051 -13.899 1.00 0.00 C ATOM 668 OE1 GLU A 422 -19.699 -6.880 -13.485 1.00 0.00 O ATOM 669 OE2 GLU A 422 -17.946 -6.234 -14.643 1.00 0.00 O ATOM 0 H GLU A 422 -18.655 -10.877 -13.257 1.00 0.00 H new ATOM 0 HA GLU A 422 -16.396 -9.910 -11.787 1.00 0.00 H new ATOM 0 HB2 GLU A 422 -19.273 -8.970 -12.087 1.00 0.00 H new ATOM 0 HB3 GLU A 422 -17.985 -8.033 -11.359 1.00 0.00 H new ATOM 0 HG2 GLU A 422 -16.718 -8.088 -13.477 1.00 0.00 H new ATOM 0 HG3 GLU A 422 -17.961 -9.080 -14.212 1.00 0.00 H new ATOM 676 N LYS A 423 -18.921 -11.142 -10.105 1.00 0.00 N ATOM 677 CA LYS A 423 -19.328 -11.661 -8.800 1.00 0.00 C ATOM 678 C LYS A 423 -18.307 -12.648 -8.268 1.00 0.00 C ATOM 679 O LYS A 423 -17.785 -12.478 -7.166 1.00 0.00 O ATOM 680 CB LYS A 423 -20.680 -12.363 -8.922 1.00 0.00 C ATOM 681 CG LYS A 423 -21.284 -12.781 -7.591 1.00 0.00 C ATOM 682 CD LYS A 423 -22.144 -11.684 -6.991 1.00 0.00 C ATOM 683 CE LYS A 423 -23.506 -11.610 -7.661 1.00 0.00 C ATOM 684 NZ LYS A 423 -23.478 -10.799 -8.911 1.00 0.00 N ATOM 0 H LYS A 423 -19.604 -11.303 -10.845 1.00 0.00 H new ATOM 0 HA LYS A 423 -19.402 -10.821 -8.109 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -21.377 -11.699 -9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -20.563 -13.247 -9.549 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -21.886 -13.679 -7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -20.486 -13.038 -6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -22.272 -11.865 -5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -21.635 -10.725 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -23.850 -12.618 -7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -24.227 -11.179 -6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -24.122 -11.219 -9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -23.781 -9.827 -8.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -22.511 -10.785 -9.294 1.00 0.00 H new ATOM 698 N GLU A 424 -18.009 -13.652 -9.072 1.00 0.00 N ATOM 699 CA GLU A 424 -17.066 -14.687 -8.689 1.00 0.00 C ATOM 700 C GLU A 424 -15.688 -14.079 -8.507 1.00 0.00 C ATOM 701 O GLU A 424 -14.906 -14.520 -7.667 1.00 0.00 O ATOM 702 CB GLU A 424 -17.044 -15.806 -9.730 1.00 0.00 C ATOM 703 CG GLU A 424 -18.100 -16.882 -9.491 1.00 0.00 C ATOM 704 CD GLU A 424 -19.525 -16.347 -9.525 1.00 0.00 C ATOM 705 OE1 GLU A 424 -19.981 -15.794 -8.500 1.00 0.00 O ATOM 706 OE2 GLU A 424 -20.188 -16.485 -10.574 1.00 0.00 O ATOM 0 H GLU A 424 -18.410 -13.773 -10.002 1.00 0.00 H new ATOM 0 HA GLU A 424 -17.380 -15.125 -7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 424 -17.195 -15.374 -10.719 1.00 0.00 H new ATOM 0 HB3 GLU A 424 -16.058 -16.270 -9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 424 -17.993 -17.660 -10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 424 -17.918 -17.351 -8.524 1.00 0.00 H new ATOM 713 N ALA A 425 -15.407 -13.052 -9.293 1.00 0.00 N ATOM 714 CA ALA A 425 -14.147 -12.344 -9.203 1.00 0.00 C ATOM 715 C ALA A 425 -14.060 -11.633 -7.860 1.00 0.00 C ATOM 716 O ALA A 425 -13.058 -11.733 -7.155 1.00 0.00 O ATOM 717 CB ALA A 425 -14.025 -11.353 -10.344 1.00 0.00 C ATOM 0 H ALA A 425 -16.042 -12.691 -10.005 1.00 0.00 H new ATOM 0 HA ALA A 425 -13.324 -13.054 -9.279 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -13.074 -10.825 -10.268 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -14.070 -11.885 -11.294 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -14.843 -10.635 -10.291 1.00 0.00 H new ATOM 723 N TYR A 426 -15.135 -10.933 -7.508 1.00 0.00 N ATOM 724 CA TYR A 426 -15.220 -10.217 -6.248 1.00 0.00 C ATOM 725 C TYR A 426 -15.125 -11.203 -5.091 1.00 0.00 C ATOM 726 O TYR A 426 -14.367 -10.995 -4.142 1.00 0.00 O ATOM 727 CB TYR A 426 -16.543 -9.438 -6.201 1.00 0.00 C ATOM 728 CG TYR A 426 -16.998 -9.035 -4.815 1.00 0.00 C ATOM 729 CD1 TYR A 426 -16.532 -7.872 -4.219 1.00 0.00 C ATOM 730 CD2 TYR A 426 -17.899 -9.821 -4.107 1.00 0.00 C ATOM 731 CE1 TYR A 426 -16.948 -7.505 -2.953 1.00 0.00 C ATOM 732 CE2 TYR A 426 -18.316 -9.463 -2.843 1.00 0.00 C ATOM 733 CZ TYR A 426 -17.840 -8.306 -2.270 1.00 0.00 C ATOM 734 OH TYR A 426 -18.253 -7.957 -1.007 1.00 0.00 O ATOM 0 H TYR A 426 -15.968 -10.849 -8.090 1.00 0.00 H new ATOM 0 HA TYR A 426 -14.394 -9.511 -6.161 1.00 0.00 H new ATOM 0 HB2 TYR A 426 -16.440 -8.539 -6.809 1.00 0.00 H new ATOM 0 HB3 TYR A 426 -17.322 -10.046 -6.660 1.00 0.00 H new ATOM 0 HD1 TYR A 426 -15.834 -7.244 -4.752 1.00 0.00 H new ATOM 0 HD2 TYR A 426 -18.279 -10.728 -4.555 1.00 0.00 H new ATOM 0 HE1 TYR A 426 -16.577 -6.597 -2.501 1.00 0.00 H new ATOM 0 HE2 TYR A 426 -19.013 -10.088 -2.305 1.00 0.00 H new ATOM 0 HH TYR A 426 -17.504 -8.048 -0.381 1.00 0.00 H new ATOM 744 N ILE A 427 -15.888 -12.284 -5.194 1.00 0.00 N ATOM 745 CA ILE A 427 -15.903 -13.318 -4.170 1.00 0.00 C ATOM 746 C ILE A 427 -14.513 -13.940 -3.995 1.00 0.00 C ATOM 747 O ILE A 427 -14.008 -14.051 -2.876 1.00 0.00 O ATOM 748 CB ILE A 427 -16.931 -14.427 -4.500 1.00 0.00 C ATOM 749 CG1 ILE A 427 -18.355 -13.863 -4.437 1.00 0.00 C ATOM 750 CG2 ILE A 427 -16.783 -15.604 -3.543 1.00 0.00 C ATOM 751 CD1 ILE A 427 -19.407 -14.793 -5.005 1.00 0.00 C ATOM 0 H ILE A 427 -16.508 -12.467 -5.983 1.00 0.00 H new ATOM 0 HA ILE A 427 -16.197 -12.839 -3.236 1.00 0.00 H new ATOM 0 HB ILE A 427 -16.739 -14.785 -5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 427 -18.602 -13.641 -3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 427 -18.386 -12.919 -4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 427 -17.516 -16.371 -3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 427 -15.779 -16.019 -3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 427 -16.949 -15.265 -2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 427 -20.388 -14.325 -4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 427 -19.186 -14.996 -6.053 1.00 0.00 H new ATOM 0 HD13 ILE A 427 -19.405 -15.729 -4.446 1.00 0.00 H new ATOM 763 N ALA A 428 -13.888 -14.320 -5.108 1.00 0.00 N ATOM 764 CA ALA A 428 -12.563 -14.937 -5.081 1.00 0.00 C ATOM 765 C ALA A 428 -11.499 -13.967 -4.577 1.00 0.00 C ATOM 766 O ALA A 428 -10.497 -14.381 -3.994 1.00 0.00 O ATOM 767 CB ALA A 428 -12.186 -15.456 -6.460 1.00 0.00 C ATOM 0 H ALA A 428 -14.280 -14.211 -6.043 1.00 0.00 H new ATOM 0 HA ALA A 428 -12.609 -15.775 -4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 428 -11.197 -15.912 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -12.915 -16.200 -6.781 1.00 0.00 H new ATOM 0 HB3 ALA A 428 -12.176 -14.629 -7.170 1.00 0.00 H new ATOM 773 N MET A 429 -11.705 -12.680 -4.815 1.00 0.00 N ATOM 774 CA MET A 429 -10.764 -11.665 -4.365 1.00 0.00 C ATOM 775 C MET A 429 -10.877 -11.483 -2.862 1.00 0.00 C ATOM 776 O MET A 429 -9.873 -11.297 -2.176 1.00 0.00 O ATOM 777 CB MET A 429 -11.015 -10.340 -5.088 1.00 0.00 C ATOM 778 CG MET A 429 -10.398 -10.284 -6.474 1.00 0.00 C ATOM 779 SD MET A 429 -9.822 -8.634 -6.906 1.00 0.00 S ATOM 780 CE MET A 429 -11.168 -7.639 -6.271 1.00 0.00 C ATOM 0 H MET A 429 -12.514 -12.314 -5.317 1.00 0.00 H new ATOM 0 HA MET A 429 -9.753 -11.995 -4.603 1.00 0.00 H new ATOM 0 HB2 MET A 429 -12.090 -10.177 -5.170 1.00 0.00 H new ATOM 0 HB3 MET A 429 -10.614 -9.524 -4.486 1.00 0.00 H new ATOM 0 HG2 MET A 429 -9.562 -10.982 -6.525 1.00 0.00 H new ATOM 0 HG3 MET A 429 -11.133 -10.613 -7.209 1.00 0.00 H new ATOM 0 HE1 MET A 429 -11.124 -6.643 -6.712 1.00 0.00 H new ATOM 0 HE2 MET A 429 -12.119 -8.107 -6.527 1.00 0.00 H new ATOM 0 HE3 MET A 429 -11.082 -7.560 -5.187 1.00 0.00 H new ATOM 790 N GLY A 430 -12.099 -11.578 -2.354 1.00 0.00 N ATOM 791 CA GLY A 430 -12.328 -11.428 -0.936 1.00 0.00 C ATOM 792 C GLY A 430 -11.738 -12.576 -0.162 1.00 0.00 C ATOM 793 O GLY A 430 -11.326 -12.406 0.980 1.00 0.00 O ATOM 0 H GLY A 430 -12.938 -11.757 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -11.890 -10.491 -0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -13.399 -11.369 -0.743 1.00 0.00 H new ATOM 797 N GLN A 431 -11.682 -13.739 -0.809 1.00 0.00 N ATOM 798 CA GLN A 431 -11.134 -14.954 -0.213 1.00 0.00 C ATOM 799 C GLN A 431 -9.776 -14.690 0.430 1.00 0.00 C ATOM 800 O GLN A 431 -9.474 -15.221 1.493 1.00 0.00 O ATOM 801 CB GLN A 431 -11.014 -16.048 -1.283 1.00 0.00 C ATOM 802 CG GLN A 431 -10.270 -17.297 -0.827 1.00 0.00 C ATOM 803 CD GLN A 431 -8.844 -17.358 -1.349 1.00 0.00 C ATOM 804 OE1 GLN A 431 -8.538 -16.858 -2.435 1.00 0.00 O ATOM 805 NE2 GLN A 431 -7.958 -17.960 -0.577 1.00 0.00 N ATOM 0 H GLN A 431 -12.017 -13.864 -1.764 1.00 0.00 H new ATOM 0 HA GLN A 431 -11.814 -15.289 0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 431 -12.015 -16.334 -1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 431 -10.504 -15.634 -2.153 1.00 0.00 H new ATOM 0 HG2 GLN A 431 -10.255 -17.327 0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 431 -10.813 -18.180 -1.163 1.00 0.00 H new ATOM 0 HE21 GLN A 431 -8.248 -18.362 0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 431 -6.984 -18.023 -0.872 1.00 0.00 H new ATOM 814 N ARG A 432 -8.976 -13.841 -0.206 1.00 0.00 N ATOM 815 CA ARG A 432 -7.657 -13.521 0.312 1.00 0.00 C ATOM 816 C ARG A 432 -7.775 -12.800 1.649 1.00 0.00 C ATOM 817 O ARG A 432 -7.417 -13.348 2.688 1.00 0.00 O ATOM 818 CB ARG A 432 -6.884 -12.662 -0.690 1.00 0.00 C ATOM 819 CG ARG A 432 -5.396 -12.981 -0.727 1.00 0.00 C ATOM 820 CD ARG A 432 -4.986 -13.538 -2.083 1.00 0.00 C ATOM 821 NE ARG A 432 -6.013 -14.421 -2.638 1.00 0.00 N ATOM 822 CZ ARG A 432 -6.645 -14.192 -3.787 1.00 0.00 C ATOM 823 NH1 ARG A 432 -6.314 -13.140 -4.531 1.00 0.00 N ATOM 824 NH2 ARG A 432 -7.614 -15.008 -4.187 1.00 0.00 N ATOM 0 H ARG A 432 -9.219 -13.366 -1.076 1.00 0.00 H new ATOM 0 HA ARG A 432 -7.109 -14.451 0.465 1.00 0.00 H new ATOM 0 HB2 ARG A 432 -7.305 -12.807 -1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 432 -7.018 -11.610 -0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 432 -4.823 -12.079 -0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 432 -5.157 -13.703 0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 432 -4.801 -12.715 -2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 432 -4.049 -14.087 -1.983 1.00 0.00 H new ATOM 0 HE ARG A 432 -6.259 -15.261 -2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 432 -5.576 -12.508 -4.221 1.00 0.00 H new ATOM 0 HH12 ARG A 432 -6.799 -12.965 -5.411 1.00 0.00 H new ATOM 0 HH21 ARG A 432 -7.874 -15.810 -3.614 1.00 0.00 H new ATOM 0 HH22 ARG A 432 -8.098 -14.832 -5.067 1.00 0.00 H new ATOM 838 N MET A 433 -8.330 -11.595 1.616 1.00 0.00 N ATOM 839 CA MET A 433 -8.499 -10.783 2.819 1.00 0.00 C ATOM 840 C MET A 433 -9.342 -11.501 3.872 1.00 0.00 C ATOM 841 O MET A 433 -9.219 -11.230 5.064 1.00 0.00 O ATOM 842 CB MET A 433 -9.141 -9.441 2.466 1.00 0.00 C ATOM 843 CG MET A 433 -8.318 -8.614 1.488 1.00 0.00 C ATOM 844 SD MET A 433 -8.590 -9.096 -0.228 1.00 0.00 S ATOM 845 CE MET A 433 -10.252 -8.486 -0.486 1.00 0.00 C ATOM 0 H MET A 433 -8.674 -11.154 0.763 1.00 0.00 H new ATOM 0 HA MET A 433 -7.509 -10.612 3.241 1.00 0.00 H new ATOM 0 HB2 MET A 433 -10.127 -9.620 2.038 1.00 0.00 H new ATOM 0 HB3 MET A 433 -9.290 -8.866 3.380 1.00 0.00 H new ATOM 0 HG2 MET A 433 -8.568 -7.560 1.609 1.00 0.00 H new ATOM 0 HG3 MET A 433 -7.260 -8.721 1.728 1.00 0.00 H new ATOM 0 HE1 MET A 433 -10.627 -8.845 -1.445 1.00 0.00 H new ATOM 0 HE2 MET A 433 -10.900 -8.845 0.314 1.00 0.00 H new ATOM 0 HE3 MET A 433 -10.244 -7.396 -0.485 1.00 0.00 H new ATOM 855 N PHE A 434 -10.194 -12.417 3.427 1.00 0.00 N ATOM 856 CA PHE A 434 -11.047 -13.177 4.329 1.00 0.00 C ATOM 857 C PHE A 434 -10.217 -14.092 5.226 1.00 0.00 C ATOM 858 O PHE A 434 -10.579 -14.341 6.376 1.00 0.00 O ATOM 859 CB PHE A 434 -12.086 -13.979 3.535 1.00 0.00 C ATOM 860 CG PHE A 434 -13.365 -13.226 3.301 1.00 0.00 C ATOM 861 CD1 PHE A 434 -13.759 -12.215 4.163 1.00 0.00 C ATOM 862 CD2 PHE A 434 -14.170 -13.525 2.214 1.00 0.00 C ATOM 863 CE1 PHE A 434 -14.930 -11.516 3.946 1.00 0.00 C ATOM 864 CE2 PHE A 434 -15.343 -12.829 1.991 1.00 0.00 C ATOM 865 CZ PHE A 434 -15.723 -11.823 2.860 1.00 0.00 C ATOM 0 H PHE A 434 -10.312 -12.651 2.441 1.00 0.00 H new ATOM 0 HA PHE A 434 -11.577 -12.475 4.973 1.00 0.00 H new ATOM 0 HB2 PHE A 434 -11.658 -14.263 2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 434 -12.309 -14.902 4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 434 -13.142 -11.971 5.015 1.00 0.00 H new ATOM 0 HD2 PHE A 434 -13.878 -14.311 1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 434 -15.224 -10.730 4.626 1.00 0.00 H new ATOM 0 HE2 PHE A 434 -15.962 -13.071 1.139 1.00 0.00 H new ATOM 0 HZ PHE A 434 -16.640 -11.278 2.689 1.00 0.00 H new ATOM 875 N GLU A 435 -9.098 -14.580 4.705 1.00 0.00 N ATOM 876 CA GLU A 435 -8.212 -15.442 5.482 1.00 0.00 C ATOM 877 C GLU A 435 -7.098 -14.610 6.085 1.00 0.00 C ATOM 878 O GLU A 435 -6.237 -15.107 6.811 1.00 0.00 O ATOM 879 CB GLU A 435 -7.604 -16.548 4.614 1.00 0.00 C ATOM 880 CG GLU A 435 -8.604 -17.276 3.732 1.00 0.00 C ATOM 881 CD GLU A 435 -7.936 -17.965 2.557 1.00 0.00 C ATOM 882 OE1 GLU A 435 -6.747 -17.674 2.286 1.00 0.00 O ATOM 883 OE2 GLU A 435 -8.595 -18.790 1.893 1.00 0.00 O ATOM 0 H GLU A 435 -8.782 -14.396 3.753 1.00 0.00 H new ATOM 0 HA GLU A 435 -8.802 -15.911 6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 435 -6.830 -16.113 3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 435 -7.114 -17.274 5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 435 -9.141 -18.015 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 435 -9.344 -16.566 3.362 1.00 0.00 H new ATOM 890 N ASP A 436 -7.160 -13.329 5.802 1.00 0.00 N ATOM 891 CA ASP A 436 -6.156 -12.382 6.265 1.00 0.00 C ATOM 892 C ASP A 436 -6.733 -11.430 7.298 1.00 0.00 C ATOM 893 O ASP A 436 -6.276 -10.293 7.438 1.00 0.00 O ATOM 894 CB ASP A 436 -5.585 -11.591 5.086 1.00 0.00 C ATOM 895 CG ASP A 436 -4.679 -12.433 4.212 1.00 0.00 C ATOM 896 OD1 ASP A 436 -3.837 -13.168 4.760 1.00 0.00 O ATOM 897 OD2 ASP A 436 -4.807 -12.368 2.974 1.00 0.00 O ATOM 0 H ASP A 436 -7.904 -12.909 5.246 1.00 0.00 H new ATOM 0 HA ASP A 436 -5.354 -12.950 6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 436 -6.405 -11.199 4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 436 -5.028 -10.733 5.463 1.00 0.00 H new ATOM 1036 N GLU B 7 8.727 -6.540 -12.932 1.00 0.00 N ATOM 1037 CA GLU B 7 8.061 -5.468 -13.654 1.00 0.00 C ATOM 1038 C GLU B 7 7.707 -4.333 -12.696 1.00 0.00 C ATOM 1039 O GLU B 7 6.712 -4.396 -11.975 1.00 0.00 O ATOM 1040 CB GLU B 7 6.806 -5.973 -14.384 1.00 0.00 C ATOM 1041 CG GLU B 7 6.054 -7.083 -13.660 1.00 0.00 C ATOM 1042 CD GLU B 7 6.552 -8.466 -14.026 1.00 0.00 C ATOM 1043 OE1 GLU B 7 7.578 -8.902 -13.460 1.00 0.00 O ATOM 1044 OE2 GLU B 7 5.918 -9.124 -14.864 1.00 0.00 O ATOM 0 HA GLU B 7 8.749 -5.092 -14.411 1.00 0.00 H new ATOM 0 HB2 GLU B 7 6.128 -5.133 -14.537 1.00 0.00 H new ATOM 0 HB3 GLU B 7 7.096 -6.333 -15.371 1.00 0.00 H new ATOM 0 HG2 GLU B 7 6.152 -6.940 -12.584 1.00 0.00 H new ATOM 0 HG3 GLU B 7 4.992 -7.010 -13.896 1.00 0.00 H new ATOM 1051 N VAL B 8 8.564 -3.321 -12.670 1.00 0.00 N ATOM 1052 CA VAL B 8 8.373 -2.161 -11.813 1.00 0.00 C ATOM 1053 C VAL B 8 7.060 -1.466 -12.113 1.00 0.00 C ATOM 1054 O VAL B 8 6.707 -1.235 -13.269 1.00 0.00 O ATOM 1055 CB VAL B 8 9.543 -1.184 -11.944 1.00 0.00 C ATOM 1056 CG1 VAL B 8 9.235 0.149 -11.276 1.00 0.00 C ATOM 1057 CG2 VAL B 8 10.757 -1.825 -11.320 1.00 0.00 C ATOM 0 H VAL B 8 9.408 -3.282 -13.241 1.00 0.00 H new ATOM 0 HA VAL B 8 8.338 -2.515 -10.783 1.00 0.00 H new ATOM 0 HB VAL B 8 9.725 -0.973 -12.998 1.00 0.00 H new ATOM 0 HG11 VAL B 8 10.088 0.818 -11.389 1.00 0.00 H new ATOM 0 HG12 VAL B 8 8.358 0.597 -11.744 1.00 0.00 H new ATOM 0 HG13 VAL B 8 9.038 -0.012 -10.216 1.00 0.00 H new ATOM 0 HG21 VAL B 8 11.608 -1.148 -11.400 1.00 0.00 H new ATOM 0 HG22 VAL B 8 10.558 -2.035 -10.269 1.00 0.00 H new ATOM 0 HG23 VAL B 8 10.984 -2.756 -11.839 1.00 0.00 H new ATOM 1067 N LEU B 9 6.350 -1.146 -11.054 1.00 0.00 N ATOM 1068 CA LEU B 9 5.059 -0.507 -11.152 1.00 0.00 C ATOM 1069 C LEU B 9 5.200 1.001 -11.146 1.00 0.00 C ATOM 1070 O LEU B 9 4.710 1.688 -12.040 1.00 0.00 O ATOM 1071 CB LEU B 9 4.196 -0.944 -9.971 1.00 0.00 C ATOM 1072 CG LEU B 9 4.507 -2.343 -9.442 1.00 0.00 C ATOM 1073 CD1 LEU B 9 4.135 -2.463 -7.981 1.00 0.00 C ATOM 1074 CD2 LEU B 9 3.777 -3.386 -10.252 1.00 0.00 C ATOM 0 H LEU B 9 6.654 -1.323 -10.097 1.00 0.00 H new ATOM 0 HA LEU B 9 4.591 -0.803 -12.091 1.00 0.00 H new ATOM 0 HB2 LEU B 9 4.322 -0.227 -9.160 1.00 0.00 H new ATOM 0 HB3 LEU B 9 3.148 -0.907 -10.270 1.00 0.00 H new ATOM 0 HG LEU B 9 5.580 -2.510 -9.537 1.00 0.00 H new ATOM 0 HD11 LEU B 9 4.366 -3.468 -7.628 1.00 0.00 H new ATOM 0 HD12 LEU B 9 4.702 -1.735 -7.400 1.00 0.00 H new ATOM 0 HD13 LEU B 9 3.069 -2.272 -7.860 1.00 0.00 H new ATOM 0 HD21 LEU B 9 4.009 -4.377 -9.863 1.00 0.00 H new ATOM 0 HD22 LEU B 9 2.703 -3.212 -10.186 1.00 0.00 H new ATOM 0 HD23 LEU B 9 4.091 -3.323 -11.294 1.00 0.00 H new ATOM 1086 N LEU B 10 5.871 1.514 -10.132 1.00 0.00 N ATOM 1087 CA LEU B 10 6.042 2.945 -10.001 1.00 0.00 C ATOM 1088 C LEU B 10 7.402 3.314 -9.423 1.00 0.00 C ATOM 1089 O LEU B 10 7.890 2.680 -8.487 1.00 0.00 O ATOM 1090 CB LEU B 10 4.940 3.481 -9.104 1.00 0.00 C ATOM 1091 CG LEU B 10 4.622 4.963 -9.254 1.00 0.00 C ATOM 1092 CD1 LEU B 10 3.887 5.225 -10.557 1.00 0.00 C ATOM 1093 CD2 LEU B 10 3.802 5.436 -8.066 1.00 0.00 C ATOM 0 H LEU B 10 6.304 0.963 -9.391 1.00 0.00 H new ATOM 0 HA LEU B 10 5.987 3.390 -10.995 1.00 0.00 H new ATOM 0 HB2 LEU B 10 4.031 2.913 -9.299 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.218 3.292 -8.067 1.00 0.00 H new ATOM 0 HG LEU B 10 5.556 5.524 -9.280 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.669 6.289 -10.644 1.00 0.00 H new ATOM 0 HD12 LEU B 10 4.509 4.912 -11.395 1.00 0.00 H new ATOM 0 HD13 LEU B 10 2.954 4.662 -10.568 1.00 0.00 H new ATOM 0 HD21 LEU B 10 3.577 6.497 -8.178 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.871 4.871 -8.018 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.368 5.280 -7.148 1.00 0.00 H new ATOM 1105 N ILE B 11 8.002 4.337 -10.007 1.00 0.00 N ATOM 1106 CA ILE B 11 9.287 4.857 -9.566 1.00 0.00 C ATOM 1107 C ILE B 11 9.101 6.284 -9.073 1.00 0.00 C ATOM 1108 O ILE B 11 8.920 7.196 -9.878 1.00 0.00 O ATOM 1109 CB ILE B 11 10.312 4.861 -10.719 1.00 0.00 C ATOM 1110 CG1 ILE B 11 10.582 3.435 -11.197 1.00 0.00 C ATOM 1111 CG2 ILE B 11 11.605 5.542 -10.288 1.00 0.00 C ATOM 1112 CD1 ILE B 11 11.346 3.369 -12.499 1.00 0.00 C ATOM 0 H ILE B 11 7.609 4.834 -10.806 1.00 0.00 H new ATOM 0 HA ILE B 11 9.662 4.216 -8.768 1.00 0.00 H new ATOM 0 HB ILE B 11 9.894 5.428 -11.551 1.00 0.00 H new ATOM 0 HG12 ILE B 11 11.143 2.903 -10.429 1.00 0.00 H new ATOM 0 HG13 ILE B 11 9.632 2.914 -11.316 1.00 0.00 H new ATOM 0 HG21 ILE B 11 12.314 5.534 -11.116 1.00 0.00 H new ATOM 0 HG22 ILE B 11 11.395 6.572 -10.000 1.00 0.00 H new ATOM 0 HG23 ILE B 11 12.032 5.008 -9.439 1.00 0.00 H new ATOM 0 HD11 ILE B 11 11.502 2.327 -12.777 1.00 0.00 H new ATOM 0 HD12 ILE B 11 10.777 3.872 -13.281 1.00 0.00 H new ATOM 0 HD13 ILE B 11 12.311 3.861 -12.380 1.00 0.00 H new ATOM 1124 N VAL B 12 9.122 6.491 -7.766 1.00 0.00 N ATOM 1125 CA VAL B 12 8.934 7.824 -7.242 1.00 0.00 C ATOM 1126 C VAL B 12 10.229 8.365 -6.685 1.00 0.00 C ATOM 1127 O VAL B 12 10.904 7.695 -5.920 1.00 0.00 O ATOM 1128 CB VAL B 12 7.867 7.848 -6.139 1.00 0.00 C ATOM 1129 CG1 VAL B 12 7.354 9.259 -5.926 1.00 0.00 C ATOM 1130 CG2 VAL B 12 6.733 6.906 -6.483 1.00 0.00 C ATOM 0 H VAL B 12 9.265 5.765 -7.064 1.00 0.00 H new ATOM 0 HA VAL B 12 8.600 8.450 -8.069 1.00 0.00 H new ATOM 0 HB VAL B 12 8.321 7.510 -5.207 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.598 9.257 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL B 12 8.180 9.906 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.914 9.630 -6.852 1.00 0.00 H new ATOM 0 HG21 VAL B 12 5.984 6.934 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL B 12 6.278 7.213 -7.424 1.00 0.00 H new ATOM 0 HG23 VAL B 12 7.120 5.892 -6.581 1.00 0.00 H new ATOM 1140 N LYS B 13 10.581 9.565 -7.088 1.00 0.00 N ATOM 1141 CA LYS B 13 11.790 10.204 -6.604 1.00 0.00 C ATOM 1142 C LYS B 13 11.407 11.291 -5.615 1.00 0.00 C ATOM 1143 O LYS B 13 10.223 11.593 -5.467 1.00 0.00 O ATOM 1144 CB LYS B 13 12.626 10.776 -7.748 1.00 0.00 C ATOM 1145 CG LYS B 13 13.112 9.729 -8.735 1.00 0.00 C ATOM 1146 CD LYS B 13 13.973 8.672 -8.058 1.00 0.00 C ATOM 1147 CE LYS B 13 15.149 8.243 -8.928 1.00 0.00 C ATOM 1148 NZ LYS B 13 16.215 7.569 -8.132 1.00 0.00 N ATOM 0 H LYS B 13 10.046 10.123 -7.753 1.00 0.00 H new ATOM 0 HA LYS B 13 12.409 9.457 -6.108 1.00 0.00 H new ATOM 0 HB2 LYS B 13 12.034 11.518 -8.283 1.00 0.00 H new ATOM 0 HB3 LYS B 13 13.488 11.296 -7.331 1.00 0.00 H new ATOM 0 HG2 LYS B 13 12.255 9.251 -9.209 1.00 0.00 H new ATOM 0 HG3 LYS B 13 13.685 10.213 -9.526 1.00 0.00 H new ATOM 0 HD2 LYS B 13 14.347 9.062 -7.111 1.00 0.00 H new ATOM 0 HD3 LYS B 13 13.360 7.802 -7.824 1.00 0.00 H new ATOM 0 HE2 LYS B 13 14.796 7.567 -9.707 1.00 0.00 H new ATOM 0 HE3 LYS B 13 15.567 9.116 -9.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 16.606 6.775 -8.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 16.973 8.249 -7.920 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 15.811 7.213 -7.242 1.00 0.00 H new ATOM 1162 N LYS B 14 12.401 11.848 -4.927 1.00 0.00 N ATOM 1163 CA LYS B 14 12.187 12.892 -3.925 1.00 0.00 C ATOM 1164 C LYS B 14 11.519 12.305 -2.683 1.00 0.00 C ATOM 1165 O LYS B 14 11.027 13.033 -1.819 1.00 0.00 O ATOM 1166 CB LYS B 14 11.313 13.981 -4.515 1.00 0.00 C ATOM 1167 CG LYS B 14 12.009 14.892 -5.508 1.00 0.00 C ATOM 1168 CD LYS B 14 11.022 15.475 -6.517 1.00 0.00 C ATOM 1169 CE LYS B 14 10.382 14.401 -7.400 1.00 0.00 C ATOM 1170 NZ LYS B 14 9.218 13.736 -6.741 1.00 0.00 N ATOM 0 H LYS B 14 13.380 11.588 -5.048 1.00 0.00 H new ATOM 0 HA LYS B 14 13.150 13.313 -3.635 1.00 0.00 H new ATOM 0 HB2 LYS B 14 10.460 13.515 -5.008 1.00 0.00 H new ATOM 0 HB3 LYS B 14 10.917 14.589 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS B 14 12.507 15.702 -4.974 1.00 0.00 H new ATOM 0 HG3 LYS B 14 12.783 14.334 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS B 14 10.240 16.016 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS B 14 11.538 16.199 -7.148 1.00 0.00 H new ATOM 0 HE2 LYS B 14 10.055 14.853 -8.337 1.00 0.00 H new ATOM 0 HE3 LYS B 14 11.130 13.650 -7.652 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 8.458 13.598 -7.437 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 9.514 12.813 -6.363 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 8.871 14.333 -5.964 1.00 0.00 H new ATOM 1184 N VAL B 15 11.504 10.985 -2.616 1.00 0.00 N ATOM 1185 CA VAL B 15 10.895 10.269 -1.503 1.00 0.00 C ATOM 1186 C VAL B 15 11.869 10.204 -0.330 1.00 0.00 C ATOM 1187 O VAL B 15 12.858 9.480 -0.376 1.00 0.00 O ATOM 1188 CB VAL B 15 10.483 8.848 -1.947 1.00 0.00 C ATOM 1189 CG1 VAL B 15 9.618 8.160 -0.914 1.00 0.00 C ATOM 1190 CG2 VAL B 15 9.744 8.913 -3.269 1.00 0.00 C ATOM 0 H VAL B 15 11.912 10.379 -3.328 1.00 0.00 H new ATOM 0 HA VAL B 15 10.000 10.803 -1.183 1.00 0.00 H new ATOM 0 HB VAL B 15 11.396 8.263 -2.060 1.00 0.00 H new ATOM 0 HG11 VAL B 15 9.352 7.164 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL B 15 10.167 8.077 0.024 1.00 0.00 H new ATOM 0 HG13 VAL B 15 8.711 8.742 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL B 15 9.457 7.907 -3.575 1.00 0.00 H new ATOM 0 HG22 VAL B 15 8.850 9.527 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL B 15 10.393 9.352 -4.027 1.00 0.00 H new ATOM 1200 N ARG B 16 11.583 10.966 0.719 1.00 0.00 N ATOM 1201 CA ARG B 16 12.448 11.030 1.881 1.00 0.00 C ATOM 1202 C ARG B 16 12.049 10.015 2.942 1.00 0.00 C ATOM 1203 O ARG B 16 11.061 10.193 3.645 1.00 0.00 O ATOM 1204 CB ARG B 16 12.418 12.435 2.492 1.00 0.00 C ATOM 1205 CG ARG B 16 12.564 13.555 1.474 1.00 0.00 C ATOM 1206 CD ARG B 16 12.932 14.867 2.148 1.00 0.00 C ATOM 1207 NE ARG B 16 14.224 14.773 2.833 1.00 0.00 N ATOM 1208 CZ ARG B 16 15.374 15.176 2.295 1.00 0.00 C ATOM 1209 NH1 ARG B 16 15.375 15.855 1.155 1.00 0.00 N ATOM 1210 NH2 ARG B 16 16.526 14.923 2.905 1.00 0.00 N ATOM 0 H ARG B 16 10.750 11.551 0.784 1.00 0.00 H new ATOM 0 HA ARG B 16 13.457 10.794 1.543 1.00 0.00 H new ATOM 0 HB2 ARG B 16 11.479 12.566 3.029 1.00 0.00 H new ATOM 0 HB3 ARG B 16 13.220 12.518 3.226 1.00 0.00 H new ATOM 0 HG2 ARG B 16 13.330 13.290 0.746 1.00 0.00 H new ATOM 0 HG3 ARG B 16 11.630 13.675 0.925 1.00 0.00 H new ATOM 0 HD2 ARG B 16 12.970 15.662 1.403 1.00 0.00 H new ATOM 0 HD3 ARG B 16 12.157 15.139 2.865 1.00 0.00 H new ATOM 0 HE ARG B 16 14.244 14.377 3.773 1.00 0.00 H new ATOM 0 HH11 ARG B 16 14.494 16.070 0.688 1.00 0.00 H new ATOM 0 HH12 ARG B 16 16.257 16.162 0.745 1.00 0.00 H new ATOM 0 HH21 ARG B 16 16.534 14.417 3.791 1.00 0.00 H new ATOM 0 HH22 ARG B 16 17.403 15.234 2.488 1.00 0.00 H new ATOM 1224 N GLN B 17 12.820 8.954 3.055 1.00 0.00 N ATOM 1225 CA GLN B 17 12.567 7.937 4.059 1.00 0.00 C ATOM 1226 C GLN B 17 13.296 8.333 5.329 1.00 0.00 C ATOM 1227 O GLN B 17 14.516 8.366 5.349 1.00 0.00 O ATOM 1228 CB GLN B 17 13.043 6.566 3.566 1.00 0.00 C ATOM 1229 CG GLN B 17 13.092 5.489 4.640 1.00 0.00 C ATOM 1230 CD GLN B 17 14.514 5.115 5.023 1.00 0.00 C ATOM 1231 OE1 GLN B 17 15.009 5.700 6.099 1.00 0.00 O flip ATOM 1232 NE2 GLN B 17 15.153 4.300 4.361 1.00 0.00 N flip ATOM 0 H GLN B 17 13.630 8.771 2.463 1.00 0.00 H new ATOM 0 HA GLN B 17 11.497 7.862 4.254 1.00 0.00 H new ATOM 0 HB2 GLN B 17 12.382 6.233 2.766 1.00 0.00 H new ATOM 0 HB3 GLN B 17 14.038 6.675 3.134 1.00 0.00 H new ATOM 0 HG2 GLN B 17 12.560 5.838 5.525 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.569 4.601 4.284 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.733 3.871 3.536 1.00 0.00 H new ATOM 0 HE22 GLN B 17 16.103 4.052 4.636 1.00 0.00 H new ATOM 1241 N LYS B 18 12.540 8.681 6.364 1.00 0.00 N ATOM 1242 CA LYS B 18 13.115 9.090 7.646 1.00 0.00 C ATOM 1243 C LYS B 18 14.198 10.165 7.452 1.00 0.00 C ATOM 1244 O LYS B 18 15.306 10.050 7.982 1.00 0.00 O ATOM 1245 CB LYS B 18 13.676 7.873 8.399 1.00 0.00 C ATOM 1246 CG LYS B 18 12.670 6.737 8.545 1.00 0.00 C ATOM 1247 CD LYS B 18 13.172 5.638 9.474 1.00 0.00 C ATOM 1248 CE LYS B 18 12.858 5.934 10.937 1.00 0.00 C ATOM 1249 NZ LYS B 18 11.398 5.902 11.227 1.00 0.00 N ATOM 0 H LYS B 18 11.520 8.689 6.342 1.00 0.00 H new ATOM 0 HA LYS B 18 12.320 9.528 8.249 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.557 7.504 7.873 1.00 0.00 H new ATOM 0 HB3 LYS B 18 14.005 8.187 9.390 1.00 0.00 H new ATOM 0 HG2 LYS B 18 11.730 7.134 8.929 1.00 0.00 H new ATOM 0 HG3 LYS B 18 12.459 6.312 7.563 1.00 0.00 H new ATOM 0 HD2 LYS B 18 12.717 4.689 9.191 1.00 0.00 H new ATOM 0 HD3 LYS B 18 14.249 5.524 9.351 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.366 5.205 11.568 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.255 6.915 11.199 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 11.068 6.862 11.455 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 10.886 5.549 10.394 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 11.218 5.273 12.036 1.00 0.00 H new ATOM 1263 N LYS B 19 13.845 11.200 6.667 1.00 0.00 N ATOM 1264 CA LYS B 19 14.722 12.349 6.363 1.00 0.00 C ATOM 1265 C LYS B 19 15.737 12.057 5.256 1.00 0.00 C ATOM 1266 O LYS B 19 16.508 12.944 4.886 1.00 0.00 O ATOM 1267 CB LYS B 19 15.477 12.843 7.605 1.00 0.00 C ATOM 1268 CG LYS B 19 14.585 13.336 8.732 1.00 0.00 C ATOM 1269 CD LYS B 19 15.388 13.592 10.000 1.00 0.00 C ATOM 1270 CE LYS B 19 16.270 12.402 10.356 1.00 0.00 C ATOM 1271 NZ LYS B 19 16.651 12.398 11.793 1.00 0.00 N ATOM 0 H LYS B 19 12.931 11.264 6.220 1.00 0.00 H new ATOM 0 HA LYS B 19 14.046 13.128 6.012 1.00 0.00 H new ATOM 0 HB2 LYS B 19 16.101 12.032 7.981 1.00 0.00 H new ATOM 0 HB3 LYS B 19 16.147 13.650 7.310 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.082 14.253 8.426 1.00 0.00 H new ATOM 0 HG3 LYS B 19 13.808 12.598 8.933 1.00 0.00 H new ATOM 0 HD2 LYS B 19 16.009 14.478 9.866 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.708 13.801 10.826 1.00 0.00 H new ATOM 0 HE2 LYS B 19 15.744 11.477 10.118 1.00 0.00 H new ATOM 0 HE3 LYS B 19 17.171 12.423 9.743 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 17.251 11.572 11.991 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 17.176 13.268 12.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 15.793 12.352 12.379 1.00 0.00 H new ATOM 1285 N GLN B 20 15.720 10.856 4.701 1.00 0.00 N ATOM 1286 CA GLN B 20 16.672 10.492 3.659 1.00 0.00 C ATOM 1287 C GLN B 20 16.040 10.670 2.288 1.00 0.00 C ATOM 1288 O GLN B 20 15.094 9.968 1.946 1.00 0.00 O ATOM 1289 CB GLN B 20 17.126 9.043 3.846 1.00 0.00 C ATOM 1290 CG GLN B 20 18.461 8.716 3.197 1.00 0.00 C ATOM 1291 CD GLN B 20 18.892 7.281 3.452 1.00 0.00 C ATOM 1292 OE1 GLN B 20 19.588 6.671 2.638 1.00 0.00 O ATOM 1293 NE2 GLN B 20 18.481 6.731 4.582 1.00 0.00 N ATOM 0 H GLN B 20 15.062 10.118 4.952 1.00 0.00 H new ATOM 0 HA GLN B 20 17.541 11.145 3.732 1.00 0.00 H new ATOM 0 HB2 GLN B 20 17.192 8.830 4.913 1.00 0.00 H new ATOM 0 HB3 GLN B 20 16.364 8.380 3.436 1.00 0.00 H new ATOM 0 HG2 GLN B 20 18.391 8.886 2.123 1.00 0.00 H new ATOM 0 HG3 GLN B 20 19.224 9.395 3.578 1.00 0.00 H new ATOM 0 HE21 GLN B 20 17.906 7.268 5.231 1.00 0.00 H new ATOM 0 HE22 GLN B 20 18.739 5.770 4.805 1.00 0.00 H new ATOM 1302 N ASP B 21 16.551 11.608 1.507 1.00 0.00 N ATOM 1303 CA ASP B 21 16.006 11.863 0.181 1.00 0.00 C ATOM 1304 C ASP B 21 16.427 10.791 -0.806 1.00 0.00 C ATOM 1305 O ASP B 21 17.606 10.613 -1.105 1.00 0.00 O ATOM 1306 CB ASP B 21 16.388 13.252 -0.352 1.00 0.00 C ATOM 1307 CG ASP B 21 17.718 13.783 0.167 1.00 0.00 C ATOM 1308 OD1 ASP B 21 18.631 12.983 0.437 1.00 0.00 O ATOM 1309 OD2 ASP B 21 17.826 15.020 0.345 1.00 0.00 O ATOM 0 H ASP B 21 17.338 12.203 1.765 1.00 0.00 H new ATOM 0 HA ASP B 21 14.921 11.836 0.286 1.00 0.00 H new ATOM 0 HB2 ASP B 21 16.427 13.212 -1.441 1.00 0.00 H new ATOM 0 HB3 ASP B 21 15.601 13.958 -0.087 1.00 0.00 H new ATOM 1314 N GLY B 22 15.443 10.058 -1.290 1.00 0.00 N ATOM 1315 CA GLY B 22 15.705 9.019 -2.237 1.00 0.00 C ATOM 1316 C GLY B 22 14.560 8.770 -3.188 1.00 0.00 C ATOM 1317 O GLY B 22 13.959 9.702 -3.728 1.00 0.00 O ATOM 0 H GLY B 22 14.461 10.171 -1.037 1.00 0.00 H new ATOM 0 HA2 GLY B 22 16.595 9.277 -2.811 1.00 0.00 H new ATOM 0 HA3 GLY B 22 15.929 8.097 -1.701 1.00 0.00 H new ATOM 1321 N ALA B 23 14.239 7.503 -3.353 1.00 0.00 N ATOM 1322 CA ALA B 23 13.212 7.075 -4.263 1.00 0.00 C ATOM 1323 C ALA B 23 12.429 5.908 -3.712 1.00 0.00 C ATOM 1324 O ALA B 23 12.993 4.998 -3.106 1.00 0.00 O ATOM 1325 CB ALA B 23 13.854 6.658 -5.561 1.00 0.00 C ATOM 0 H ALA B 23 14.692 6.739 -2.851 1.00 0.00 H new ATOM 0 HA ALA B 23 12.524 7.907 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA B 23 13.084 6.331 -6.259 1.00 0.00 H new ATOM 0 HB2 ALA B 23 14.395 7.503 -5.987 1.00 0.00 H new ATOM 0 HB3 ALA B 23 14.548 5.838 -5.377 1.00 0.00 H new ATOM 1331 N LEU B 24 11.138 5.922 -3.956 1.00 0.00 N ATOM 1332 CA LEU B 24 10.274 4.864 -3.506 1.00 0.00 C ATOM 1333 C LEU B 24 9.903 4.024 -4.723 1.00 0.00 C ATOM 1334 O LEU B 24 9.096 4.440 -5.557 1.00 0.00 O ATOM 1335 CB LEU B 24 9.030 5.450 -2.844 1.00 0.00 C ATOM 1336 CG LEU B 24 8.444 4.619 -1.705 1.00 0.00 C ATOM 1337 CD1 LEU B 24 6.984 4.964 -1.485 1.00 0.00 C ATOM 1338 CD2 LEU B 24 8.616 3.138 -1.966 1.00 0.00 C ATOM 0 H LEU B 24 10.663 6.665 -4.469 1.00 0.00 H new ATOM 0 HA LEU B 24 10.775 4.242 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.275 6.440 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.262 5.584 -3.606 1.00 0.00 H new ATOM 0 HG LEU B 24 8.992 4.862 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU B 24 6.586 4.360 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU B 24 6.894 6.020 -1.232 1.00 0.00 H new ATOM 0 HD13 LEU B 24 6.421 4.760 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU B 24 8.190 2.571 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU B 24 8.106 2.870 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU B 24 9.677 2.905 -2.057 1.00 0.00 H new ATOM 1350 N TYR B 25 10.524 2.867 -4.838 1.00 0.00 N ATOM 1351 CA TYR B 25 10.290 1.982 -5.966 1.00 0.00 C ATOM 1352 C TYR B 25 9.270 0.895 -5.646 1.00 0.00 C ATOM 1353 O TYR B 25 9.430 0.144 -4.682 1.00 0.00 O ATOM 1354 CB TYR B 25 11.597 1.306 -6.376 1.00 0.00 C ATOM 1355 CG TYR B 25 12.430 2.068 -7.371 1.00 0.00 C ATOM 1356 CD1 TYR B 25 13.055 3.254 -7.022 1.00 0.00 C ATOM 1357 CD2 TYR B 25 12.607 1.584 -8.658 1.00 0.00 C ATOM 1358 CE1 TYR B 25 13.831 3.941 -7.931 1.00 0.00 C ATOM 1359 CE2 TYR B 25 13.386 2.260 -9.573 1.00 0.00 C ATOM 1360 CZ TYR B 25 13.997 3.441 -9.206 1.00 0.00 C ATOM 1361 OH TYR B 25 14.774 4.124 -10.112 1.00 0.00 O ATOM 0 H TYR B 25 11.199 2.514 -4.160 1.00 0.00 H new ATOM 0 HA TYR B 25 9.898 2.598 -6.775 1.00 0.00 H new ATOM 0 HB2 TYR B 25 12.195 1.136 -5.481 1.00 0.00 H new ATOM 0 HB3 TYR B 25 11.365 0.327 -6.795 1.00 0.00 H new ATOM 0 HD1 TYR B 25 12.933 3.646 -6.023 1.00 0.00 H new ATOM 0 HD2 TYR B 25 12.126 0.662 -8.949 1.00 0.00 H new ATOM 0 HE1 TYR B 25 14.307 4.867 -7.646 1.00 0.00 H new ATOM 0 HE2 TYR B 25 13.517 1.867 -10.571 1.00 0.00 H new ATOM 0 HH TYR B 25 15.524 4.548 -9.645 1.00 0.00 H new ATOM 1371 N LEU B 26 8.216 0.818 -6.443 1.00 0.00 N ATOM 1372 CA LEU B 26 7.226 -0.233 -6.277 1.00 0.00 C ATOM 1373 C LEU B 26 7.494 -1.270 -7.331 1.00 0.00 C ATOM 1374 O LEU B 26 7.260 -1.018 -8.516 1.00 0.00 O ATOM 1375 CB LEU B 26 5.787 0.249 -6.456 1.00 0.00 C ATOM 1376 CG LEU B 26 5.467 1.615 -5.898 1.00 0.00 C ATOM 1377 CD1 LEU B 26 4.072 2.033 -6.322 1.00 0.00 C ATOM 1378 CD2 LEU B 26 5.565 1.620 -4.388 1.00 0.00 C ATOM 0 H LEU B 26 8.025 1.467 -7.207 1.00 0.00 H new ATOM 0 HA LEU B 26 7.316 -0.613 -5.259 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.557 0.252 -7.521 1.00 0.00 H new ATOM 0 HB3 LEU B 26 5.122 -0.477 -5.988 1.00 0.00 H new ATOM 0 HG LEU B 26 6.195 2.324 -6.293 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.848 3.019 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU B 26 4.018 2.068 -7.410 1.00 0.00 H new ATOM 0 HD13 LEU B 26 3.346 1.312 -5.945 1.00 0.00 H new ATOM 0 HD21 LEU B 26 5.330 2.615 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.859 0.900 -3.975 1.00 0.00 H new ATOM 0 HD23 LEU B 26 6.577 1.348 -4.088 1.00 0.00 H new ATOM 1390 N MET B 27 8.004 -2.412 -6.934 1.00 0.00 N ATOM 1391 CA MET B 27 8.286 -3.449 -7.894 1.00 0.00 C ATOM 1392 C MET B 27 7.154 -4.438 -7.951 1.00 0.00 C ATOM 1393 O MET B 27 6.307 -4.484 -7.057 1.00 0.00 O ATOM 1394 CB MET B 27 9.610 -4.166 -7.608 1.00 0.00 C ATOM 1395 CG MET B 27 10.816 -3.548 -8.298 1.00 0.00 C ATOM 1396 SD MET B 27 11.074 -1.821 -7.854 1.00 0.00 S ATOM 1397 CE MET B 27 11.324 -1.965 -6.090 1.00 0.00 C ATOM 0 H MET B 27 8.229 -2.644 -5.966 1.00 0.00 H new ATOM 0 HA MET B 27 8.387 -2.965 -8.866 1.00 0.00 H new ATOM 0 HB2 MET B 27 9.783 -4.169 -6.532 1.00 0.00 H new ATOM 0 HB3 MET B 27 9.521 -5.207 -7.920 1.00 0.00 H new ATOM 0 HG2 MET B 27 11.707 -4.120 -8.041 1.00 0.00 H new ATOM 0 HG3 MET B 27 10.688 -3.624 -9.378 1.00 0.00 H new ATOM 0 HE1 MET B 27 12.000 -1.179 -5.753 1.00 0.00 H new ATOM 0 HE2 MET B 27 10.367 -1.865 -5.578 1.00 0.00 H new ATOM 0 HE3 MET B 27 11.757 -2.939 -5.862 1.00 0.00 H new ATOM 1407 N ALA B 28 7.202 -5.250 -8.986 1.00 0.00 N ATOM 1408 CA ALA B 28 6.182 -6.232 -9.292 1.00 0.00 C ATOM 1409 C ALA B 28 5.582 -6.941 -8.072 1.00 0.00 C ATOM 1410 O ALA B 28 4.358 -7.082 -7.967 1.00 0.00 O ATOM 1411 CB ALA B 28 6.747 -7.265 -10.236 1.00 0.00 C ATOM 0 H ALA B 28 7.971 -5.246 -9.656 1.00 0.00 H new ATOM 0 HA ALA B 28 5.364 -5.673 -9.746 1.00 0.00 H new ATOM 0 HB1 ALA B 28 5.980 -8.005 -10.467 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.071 -6.779 -11.156 1.00 0.00 H new ATOM 0 HB3 ALA B 28 7.598 -7.759 -9.768 1.00 0.00 H new ATOM 1417 N GLU B 29 6.434 -7.402 -7.167 1.00 0.00 N ATOM 1418 CA GLU B 29 5.971 -8.124 -5.988 1.00 0.00 C ATOM 1419 C GLU B 29 6.546 -7.565 -4.686 1.00 0.00 C ATOM 1420 O GLU B 29 6.232 -8.065 -3.599 1.00 0.00 O ATOM 1421 CB GLU B 29 6.346 -9.606 -6.116 1.00 0.00 C ATOM 1422 CG GLU B 29 7.643 -9.861 -6.878 1.00 0.00 C ATOM 1423 CD GLU B 29 8.820 -9.083 -6.321 1.00 0.00 C ATOM 1424 OE1 GLU B 29 9.485 -9.587 -5.400 1.00 0.00 O ATOM 1425 OE2 GLU B 29 9.063 -7.947 -6.792 1.00 0.00 O ATOM 0 H GLU B 29 7.446 -7.290 -7.225 1.00 0.00 H new ATOM 0 HA GLU B 29 4.889 -8.003 -5.941 1.00 0.00 H new ATOM 0 HB2 GLU B 29 6.435 -10.034 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU B 29 5.534 -10.132 -6.618 1.00 0.00 H new ATOM 0 HG2 GLU B 29 7.872 -10.926 -6.848 1.00 0.00 H new ATOM 0 HG3 GLU B 29 7.501 -9.594 -7.925 1.00 0.00 H new ATOM 1432 N ARG B 30 7.347 -6.515 -4.770 1.00 0.00 N ATOM 1433 CA ARG B 30 7.958 -5.974 -3.567 1.00 0.00 C ATOM 1434 C ARG B 30 8.190 -4.477 -3.671 1.00 0.00 C ATOM 1435 O ARG B 30 8.387 -3.937 -4.752 1.00 0.00 O ATOM 1436 CB ARG B 30 9.282 -6.692 -3.279 1.00 0.00 C ATOM 1437 CG ARG B 30 10.402 -6.340 -4.247 1.00 0.00 C ATOM 1438 CD ARG B 30 11.406 -7.476 -4.373 1.00 0.00 C ATOM 1439 NE ARG B 30 12.601 -7.078 -5.118 1.00 0.00 N ATOM 1440 CZ ARG B 30 12.673 -7.027 -6.451 1.00 0.00 C ATOM 1441 NH1 ARG B 30 11.623 -7.329 -7.201 1.00 0.00 N ATOM 1442 NH2 ARG B 30 13.809 -6.676 -7.038 1.00 0.00 N ATOM 0 H ARG B 30 7.585 -6.030 -5.635 1.00 0.00 H new ATOM 0 HA ARG B 30 7.265 -6.143 -2.743 1.00 0.00 H new ATOM 0 HB2 ARG B 30 9.602 -6.449 -2.266 1.00 0.00 H new ATOM 0 HB3 ARG B 30 9.114 -7.768 -3.311 1.00 0.00 H new ATOM 0 HG2 ARG B 30 9.981 -6.115 -5.227 1.00 0.00 H new ATOM 0 HG3 ARG B 30 10.911 -5.439 -3.904 1.00 0.00 H new ATOM 0 HD2 ARG B 30 11.696 -7.814 -3.378 1.00 0.00 H new ATOM 0 HD3 ARG B 30 10.934 -8.322 -4.872 1.00 0.00 H new ATOM 0 HE ARG B 30 13.433 -6.823 -4.585 1.00 0.00 H new ATOM 0 HH11 ARG B 30 10.745 -7.605 -6.762 1.00 0.00 H new ATOM 0 HH12 ARG B 30 11.693 -7.286 -8.218 1.00 0.00 H new ATOM 0 HH21 ARG B 30 14.626 -6.446 -6.472 1.00 0.00 H new ATOM 0 HH22 ARG B 30 13.866 -6.636 -8.056 1.00 0.00 H new ATOM 1456 N ILE B 31 8.166 -3.819 -2.531 1.00 0.00 N ATOM 1457 CA ILE B 31 8.386 -2.391 -2.463 1.00 0.00 C ATOM 1458 C ILE B 31 9.779 -2.134 -1.901 1.00 0.00 C ATOM 1459 O ILE B 31 10.110 -2.576 -0.799 1.00 0.00 O ATOM 1460 CB ILE B 31 7.308 -1.692 -1.599 1.00 0.00 C ATOM 1461 CG1 ILE B 31 7.667 -0.224 -1.368 1.00 0.00 C ATOM 1462 CG2 ILE B 31 7.117 -2.419 -0.271 1.00 0.00 C ATOM 1463 CD1 ILE B 31 6.501 0.618 -0.902 1.00 0.00 C ATOM 0 H ILE B 31 7.994 -4.259 -1.627 1.00 0.00 H new ATOM 0 HA ILE B 31 8.311 -1.972 -3.467 1.00 0.00 H new ATOM 0 HB ILE B 31 6.364 -1.730 -2.142 1.00 0.00 H new ATOM 0 HG12 ILE B 31 8.465 -0.166 -0.628 1.00 0.00 H new ATOM 0 HG13 ILE B 31 8.060 0.195 -2.294 1.00 0.00 H new ATOM 0 HG21 ILE B 31 6.355 -1.908 0.317 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.802 -3.445 -0.460 1.00 0.00 H new ATOM 0 HG23 ILE B 31 8.058 -2.424 0.280 1.00 0.00 H new ATOM 0 HD11 ILE B 31 6.830 1.647 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE B 31 5.710 0.591 -1.651 1.00 0.00 H new ATOM 0 HD13 ILE B 31 6.121 0.224 0.041 1.00 0.00 H new ATOM 1475 N ALA B 32 10.608 -1.456 -2.669 1.00 0.00 N ATOM 1476 CA ALA B 32 11.963 -1.177 -2.233 1.00 0.00 C ATOM 1477 C ALA B 32 12.325 0.287 -2.429 1.00 0.00 C ATOM 1478 O ALA B 32 12.223 0.828 -3.522 1.00 0.00 O ATOM 1479 CB ALA B 32 12.946 -2.077 -2.961 1.00 0.00 C ATOM 0 H ALA B 32 10.371 -1.090 -3.591 1.00 0.00 H new ATOM 0 HA ALA B 32 12.020 -1.386 -1.165 1.00 0.00 H new ATOM 0 HB1 ALA B 32 13.959 -1.857 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA B 32 12.711 -3.120 -2.748 1.00 0.00 H new ATOM 0 HB3 ALA B 32 12.874 -1.901 -4.034 1.00 0.00 H new ATOM 1485 N TRP B 33 12.749 0.918 -1.353 1.00 0.00 N ATOM 1486 CA TRP B 33 13.133 2.315 -1.380 1.00 0.00 C ATOM 1487 C TRP B 33 14.655 2.439 -1.311 1.00 0.00 C ATOM 1488 O TRP B 33 15.328 1.603 -0.699 1.00 0.00 O ATOM 1489 CB TRP B 33 12.460 3.042 -0.197 1.00 0.00 C ATOM 1490 CG TRP B 33 12.857 4.487 -0.021 1.00 0.00 C ATOM 1491 CD1 TRP B 33 12.094 5.590 -0.278 1.00 0.00 C ATOM 1492 CD2 TRP B 33 14.111 4.980 0.460 1.00 0.00 C ATOM 1493 NE1 TRP B 33 12.807 6.732 0.004 1.00 0.00 N ATOM 1494 CE2 TRP B 33 14.049 6.380 0.455 1.00 0.00 C ATOM 1495 CE3 TRP B 33 15.283 4.364 0.884 1.00 0.00 C ATOM 1496 CZ2 TRP B 33 15.118 7.171 0.863 1.00 0.00 C ATOM 1497 CZ3 TRP B 33 16.342 5.137 1.278 1.00 0.00 C ATOM 1498 CH2 TRP B 33 16.258 6.534 1.267 1.00 0.00 C ATOM 0 H TRP B 33 12.837 0.478 -0.437 1.00 0.00 H new ATOM 0 HA TRP B 33 12.803 2.777 -2.311 1.00 0.00 H new ATOM 0 HB2 TRP B 33 11.379 2.992 -0.328 1.00 0.00 H new ATOM 0 HB3 TRP B 33 12.695 2.503 0.721 1.00 0.00 H new ATOM 0 HD1 TRP B 33 11.080 5.569 -0.648 1.00 0.00 H new ATOM 0 HE1 TRP B 33 12.465 7.687 -0.106 1.00 0.00 H new ATOM 0 HE3 TRP B 33 15.357 3.287 0.902 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 15.050 8.249 0.861 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 17.256 4.662 1.602 1.00 0.00 H new ATOM 0 HH2 TRP B 33 17.109 7.119 1.583 1.00 0.00 H new ATOM 1509 N ALA B 34 15.192 3.474 -1.950 1.00 0.00 N ATOM 1510 CA ALA B 34 16.625 3.750 -1.933 1.00 0.00 C ATOM 1511 C ALA B 34 16.857 5.249 -2.056 1.00 0.00 C ATOM 1512 O ALA B 34 16.053 5.924 -2.667 1.00 0.00 O ATOM 1513 CB ALA B 34 17.324 3.028 -3.047 1.00 0.00 C ATOM 0 H ALA B 34 14.647 4.144 -2.493 1.00 0.00 H new ATOM 0 HA ALA B 34 17.036 3.394 -0.988 1.00 0.00 H new ATOM 0 HB1 ALA B 34 18.390 3.250 -3.012 1.00 0.00 H new ATOM 0 HB2 ALA B 34 17.173 1.954 -2.936 1.00 0.00 H new ATOM 0 HB3 ALA B 34 16.917 3.354 -4.004 1.00 0.00 H new ATOM 1519 N PRO B 35 17.943 5.795 -1.486 1.00 0.00 N ATOM 1520 CA PRO B 35 18.219 7.239 -1.552 1.00 0.00 C ATOM 1521 C PRO B 35 18.656 7.679 -2.946 1.00 0.00 C ATOM 1522 O PRO B 35 18.984 6.847 -3.792 1.00 0.00 O ATOM 1523 CB PRO B 35 19.354 7.428 -0.546 1.00 0.00 C ATOM 1524 CG PRO B 35 20.044 6.107 -0.495 1.00 0.00 C ATOM 1525 CD PRO B 35 18.991 5.065 -0.756 1.00 0.00 C ATOM 0 HA PRO B 35 17.335 7.837 -1.331 1.00 0.00 H new ATOM 0 HB2 PRO B 35 20.035 8.218 -0.863 1.00 0.00 H new ATOM 0 HB3 PRO B 35 18.970 7.712 0.434 1.00 0.00 H new ATOM 0 HG2 PRO B 35 20.836 6.054 -1.242 1.00 0.00 H new ATOM 0 HG3 PRO B 35 20.512 5.951 0.477 1.00 0.00 H new ATOM 0 HD2 PRO B 35 19.386 4.237 -1.345 1.00 0.00 H new ATOM 0 HD3 PRO B 35 18.609 4.641 0.173 1.00 0.00 H new ATOM 1533 N GLU B 36 18.659 8.986 -3.184 1.00 0.00 N ATOM 1534 CA GLU B 36 19.053 9.508 -4.479 1.00 0.00 C ATOM 1535 C GLU B 36 20.531 9.237 -4.709 1.00 0.00 C ATOM 1536 O GLU B 36 21.325 9.206 -3.765 1.00 0.00 O ATOM 1537 CB GLU B 36 18.736 10.999 -4.603 1.00 0.00 C ATOM 1538 CG GLU B 36 18.338 11.407 -6.015 1.00 0.00 C ATOM 1539 CD GLU B 36 17.439 10.382 -6.690 1.00 0.00 C ATOM 1540 OE1 GLU B 36 17.971 9.436 -7.315 1.00 0.00 O ATOM 1541 OE2 GLU B 36 16.201 10.514 -6.596 1.00 0.00 O ATOM 0 H GLU B 36 18.395 9.695 -2.500 1.00 0.00 H new ATOM 0 HA GLU B 36 18.476 8.998 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU B 36 17.928 11.251 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU B 36 19.608 11.577 -4.296 1.00 0.00 H new ATOM 0 HG2 GLU B 36 17.825 12.368 -5.980 1.00 0.00 H new ATOM 0 HG3 GLU B 36 19.237 11.547 -6.615 1.00 0.00 H new ATOM 1548 N GLY B 37 20.897 9.018 -5.960 1.00 0.00 N ATOM 1549 CA GLY B 37 22.271 8.692 -6.278 1.00 0.00 C ATOM 1550 C GLY B 37 22.474 7.200 -6.141 1.00 0.00 C ATOM 1551 O GLY B 37 22.908 6.525 -7.075 1.00 0.00 O ATOM 0 H GLY B 37 20.268 9.060 -6.762 1.00 0.00 H new ATOM 0 HA2 GLY B 37 22.507 9.011 -7.293 1.00 0.00 H new ATOM 0 HA3 GLY B 37 22.948 9.226 -5.610 1.00 0.00 H new ATOM 1555 N LYS B 38 22.128 6.685 -4.968 1.00 0.00 N ATOM 1556 CA LYS B 38 22.209 5.262 -4.697 1.00 0.00 C ATOM 1557 C LYS B 38 20.872 4.644 -5.062 1.00 0.00 C ATOM 1558 O LYS B 38 20.132 4.170 -4.198 1.00 0.00 O ATOM 1559 CB LYS B 38 22.534 4.993 -3.223 1.00 0.00 C ATOM 1560 CG LYS B 38 22.730 3.519 -2.883 1.00 0.00 C ATOM 1561 CD LYS B 38 22.803 3.302 -1.379 1.00 0.00 C ATOM 1562 CE LYS B 38 22.785 1.823 -1.015 1.00 0.00 C ATOM 1563 NZ LYS B 38 21.409 1.249 -1.050 1.00 0.00 N ATOM 0 H LYS B 38 21.786 7.241 -4.184 1.00 0.00 H new ATOM 0 HA LYS B 38 23.012 4.821 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS B 38 23.439 5.539 -2.957 1.00 0.00 H new ATOM 0 HB3 LYS B 38 21.728 5.392 -2.607 1.00 0.00 H new ATOM 0 HG2 LYS B 38 21.907 2.936 -3.297 1.00 0.00 H new ATOM 0 HG3 LYS B 38 23.645 3.155 -3.350 1.00 0.00 H new ATOM 0 HD2 LYS B 38 23.712 3.760 -0.990 1.00 0.00 H new ATOM 0 HD3 LYS B 38 21.963 3.804 -0.899 1.00 0.00 H new ATOM 0 HE2 LYS B 38 23.424 1.273 -1.706 1.00 0.00 H new ATOM 0 HE3 LYS B 38 23.206 1.691 -0.018 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 21.461 0.215 -0.947 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 20.847 1.647 -0.271 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 20.958 1.484 -1.957 1.00 0.00 H new ATOM 1577 N ASP B 39 20.569 4.677 -6.356 1.00 0.00 N ATOM 1578 CA ASP B 39 19.316 4.143 -6.891 1.00 0.00 C ATOM 1579 C ASP B 39 19.124 2.681 -6.493 1.00 0.00 C ATOM 1580 O ASP B 39 18.028 2.130 -6.594 1.00 0.00 O ATOM 1581 CB ASP B 39 19.301 4.292 -8.417 1.00 0.00 C ATOM 1582 CG ASP B 39 17.914 4.142 -9.017 1.00 0.00 C ATOM 1583 OD1 ASP B 39 17.103 5.092 -8.906 1.00 0.00 O ATOM 1584 OD2 ASP B 39 17.639 3.080 -9.620 1.00 0.00 O ATOM 0 H ASP B 39 21.184 5.075 -7.066 1.00 0.00 H new ATOM 0 HA ASP B 39 18.488 4.712 -6.467 1.00 0.00 H new ATOM 0 HB2 ASP B 39 19.702 5.270 -8.685 1.00 0.00 H new ATOM 0 HB3 ASP B 39 19.963 3.545 -8.855 1.00 0.00 H new ATOM 1589 N ARG B 40 20.199 2.047 -6.039 1.00 0.00 N ATOM 1590 CA ARG B 40 20.128 0.667 -5.607 1.00 0.00 C ATOM 1591 C ARG B 40 19.488 0.614 -4.233 1.00 0.00 C ATOM 1592 O ARG B 40 19.996 1.199 -3.277 1.00 0.00 O ATOM 1593 CB ARG B 40 21.505 0.016 -5.610 1.00 0.00 C ATOM 1594 CG ARG B 40 22.096 -0.089 -7.005 1.00 0.00 C ATOM 1595 CD ARG B 40 21.102 -0.693 -7.994 1.00 0.00 C ATOM 1596 NE ARG B 40 21.110 0.006 -9.284 1.00 0.00 N ATOM 1597 CZ ARG B 40 20.105 0.771 -9.729 1.00 0.00 C ATOM 1598 NH1 ARG B 40 18.994 0.899 -9.020 1.00 0.00 N ATOM 1599 NH2 ARG B 40 20.207 1.401 -10.894 1.00 0.00 N ATOM 0 H ARG B 40 21.124 2.469 -5.963 1.00 0.00 H new ATOM 0 HA ARG B 40 19.514 0.100 -6.307 1.00 0.00 H new ATOM 0 HB2 ARG B 40 22.178 0.594 -4.976 1.00 0.00 H new ATOM 0 HB3 ARG B 40 21.433 -0.980 -5.173 1.00 0.00 H new ATOM 0 HG2 ARG B 40 22.396 0.901 -7.349 1.00 0.00 H new ATOM 0 HG3 ARG B 40 22.997 -0.702 -6.974 1.00 0.00 H new ATOM 0 HD2 ARG B 40 21.342 -1.745 -8.151 1.00 0.00 H new ATOM 0 HD3 ARG B 40 20.099 -0.655 -7.568 1.00 0.00 H new ATOM 0 HE ARG B 40 21.932 -0.097 -9.879 1.00 0.00 H new ATOM 0 HH11 ARG B 40 18.899 0.413 -8.128 1.00 0.00 H new ATOM 0 HH12 ARG B 40 18.233 1.484 -9.366 1.00 0.00 H new ATOM 0 HH21 ARG B 40 21.054 1.303 -11.454 1.00 0.00 H new ATOM 0 HH22 ARG B 40 19.439 1.982 -11.228 1.00 0.00 H new ATOM 1613 N PHE B 41 18.371 -0.094 -4.177 1.00 0.00 N ATOM 1614 CA PHE B 41 17.538 -0.232 -2.983 1.00 0.00 C ATOM 1615 C PHE B 41 18.297 -0.360 -1.663 1.00 0.00 C ATOM 1616 O PHE B 41 19.377 -0.949 -1.578 1.00 0.00 O ATOM 1617 CB PHE B 41 16.595 -1.419 -3.155 1.00 0.00 C ATOM 1618 CG PHE B 41 15.999 -1.499 -4.531 1.00 0.00 C ATOM 1619 CD1 PHE B 41 15.309 -0.421 -5.064 1.00 0.00 C ATOM 1620 CD2 PHE B 41 16.139 -2.645 -5.295 1.00 0.00 C ATOM 1621 CE1 PHE B 41 14.769 -0.486 -6.332 1.00 0.00 C ATOM 1622 CE2 PHE B 41 15.602 -2.715 -6.565 1.00 0.00 C ATOM 1623 CZ PHE B 41 14.916 -1.635 -7.084 1.00 0.00 C ATOM 0 H PHE B 41 18.005 -0.604 -4.981 1.00 0.00 H new ATOM 0 HA PHE B 41 16.990 0.707 -2.903 1.00 0.00 H new ATOM 0 HB2 PHE B 41 17.138 -2.341 -2.946 1.00 0.00 H new ATOM 0 HB3 PHE B 41 15.793 -1.348 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE B 41 15.193 0.480 -4.480 1.00 0.00 H new ATOM 0 HD2 PHE B 41 16.674 -3.493 -4.893 1.00 0.00 H new ATOM 0 HE1 PHE B 41 14.232 0.360 -6.736 1.00 0.00 H new ATOM 0 HE2 PHE B 41 15.718 -3.614 -7.152 1.00 0.00 H new ATOM 0 HZ PHE B 41 14.495 -1.689 -8.077 1.00 0.00 H new ATOM 1633 N THR B 42 17.695 0.232 -0.640 1.00 0.00 N ATOM 1634 CA THR B 42 18.212 0.215 0.715 1.00 0.00 C ATOM 1635 C THR B 42 17.224 -0.529 1.612 1.00 0.00 C ATOM 1636 O THR B 42 17.603 -1.359 2.433 1.00 0.00 O ATOM 1637 CB THR B 42 18.415 1.654 1.243 1.00 0.00 C ATOM 1638 OG1 THR B 42 19.484 2.300 0.536 1.00 0.00 O ATOM 1639 CG2 THR B 42 18.717 1.669 2.734 1.00 0.00 C ATOM 0 H THR B 42 16.819 0.745 -0.734 1.00 0.00 H new ATOM 0 HA THR B 42 19.178 -0.290 0.721 1.00 0.00 H new ATOM 0 HB THR B 42 17.483 2.194 1.076 1.00 0.00 H new ATOM 0 HG1 THR B 42 19.814 3.057 1.063 1.00 0.00 H new ATOM 0 HG21 THR B 42 18.853 2.698 3.067 1.00 0.00 H new ATOM 0 HG22 THR B 42 17.887 1.218 3.278 1.00 0.00 H new ATOM 0 HG23 THR B 42 19.628 1.102 2.927 1.00 0.00 H new ATOM 1647 N ILE B 43 15.948 -0.228 1.416 1.00 0.00 N ATOM 1648 CA ILE B 43 14.875 -0.849 2.174 1.00 0.00 C ATOM 1649 C ILE B 43 14.033 -1.716 1.246 1.00 0.00 C ATOM 1650 O ILE B 43 13.584 -1.252 0.203 1.00 0.00 O ATOM 1651 CB ILE B 43 13.992 0.226 2.855 1.00 0.00 C ATOM 1652 CG1 ILE B 43 14.533 0.548 4.248 1.00 0.00 C ATOM 1653 CG2 ILE B 43 12.533 -0.210 2.936 1.00 0.00 C ATOM 1654 CD1 ILE B 43 13.736 1.610 4.971 1.00 0.00 C ATOM 0 H ILE B 43 15.629 0.453 0.727 1.00 0.00 H new ATOM 0 HA ILE B 43 15.309 -1.473 2.955 1.00 0.00 H new ATOM 0 HB ILE B 43 14.030 1.126 2.241 1.00 0.00 H new ATOM 0 HG12 ILE B 43 14.538 -0.363 4.847 1.00 0.00 H new ATOM 0 HG13 ILE B 43 15.568 0.878 4.160 1.00 0.00 H new ATOM 0 HG21 ILE B 43 11.946 0.571 3.420 1.00 0.00 H new ATOM 0 HG22 ILE B 43 12.148 -0.383 1.931 1.00 0.00 H new ATOM 0 HG23 ILE B 43 12.460 -1.130 3.515 1.00 0.00 H new ATOM 0 HD11 ILE B 43 14.175 1.789 5.953 1.00 0.00 H new ATOM 0 HD12 ILE B 43 13.752 2.534 4.392 1.00 0.00 H new ATOM 0 HD13 ILE B 43 12.706 1.274 5.090 1.00 0.00 H new ATOM 1666 N SER B 44 13.851 -2.976 1.610 1.00 0.00 N ATOM 1667 CA SER B 44 13.070 -3.895 0.800 1.00 0.00 C ATOM 1668 C SER B 44 11.990 -4.580 1.629 1.00 0.00 C ATOM 1669 O SER B 44 12.279 -5.181 2.663 1.00 0.00 O ATOM 1670 CB SER B 44 13.984 -4.940 0.158 1.00 0.00 C ATOM 1671 OG SER B 44 14.995 -4.319 -0.617 1.00 0.00 O ATOM 0 H SER B 44 14.234 -3.385 2.462 1.00 0.00 H new ATOM 0 HA SER B 44 12.579 -3.319 0.015 1.00 0.00 H new ATOM 0 HB2 SER B 44 14.441 -5.555 0.933 1.00 0.00 H new ATOM 0 HB3 SER B 44 13.395 -5.607 -0.472 1.00 0.00 H new ATOM 0 HG SER B 44 15.569 -5.006 -1.017 1.00 0.00 H new ATOM 1677 N HIS B 45 10.754 -4.472 1.171 1.00 0.00 N ATOM 1678 CA HIS B 45 9.619 -5.088 1.831 1.00 0.00 C ATOM 1679 C HIS B 45 8.773 -5.769 0.784 1.00 0.00 C ATOM 1680 O HIS B 45 8.518 -5.208 -0.278 1.00 0.00 O ATOM 1681 CB HIS B 45 8.769 -4.056 2.585 1.00 0.00 C ATOM 1682 CG HIS B 45 9.483 -3.355 3.700 1.00 0.00 C ATOM 1683 ND1 HIS B 45 10.070 -3.999 4.765 1.00 0.00 N ATOM 1684 CD2 HIS B 45 9.700 -2.030 3.898 1.00 0.00 C ATOM 1685 CE1 HIS B 45 10.615 -3.069 5.559 1.00 0.00 C ATOM 1686 NE2 HIS B 45 10.418 -1.855 5.078 1.00 0.00 N ATOM 0 H HIS B 45 10.510 -3.952 0.328 1.00 0.00 H new ATOM 0 HA HIS B 45 9.988 -5.806 2.563 1.00 0.00 H new ATOM 0 HB2 HIS B 45 8.412 -3.311 1.875 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.890 -4.556 2.992 1.00 0.00 H new ATOM 0 HD1 HIS B 45 10.087 -5.007 4.922 1.00 0.00 H new ATOM 0 HD2 HIS B 45 9.368 -1.237 3.244 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.147 -3.284 6.474 1.00 0.00 H new ATOM 1694 N MET B 46 8.362 -6.978 1.056 1.00 0.00 N ATOM 1695 CA MET B 46 7.542 -7.703 0.120 1.00 0.00 C ATOM 1696 C MET B 46 6.092 -7.481 0.480 1.00 0.00 C ATOM 1697 O MET B 46 5.747 -7.421 1.653 1.00 0.00 O ATOM 1698 CB MET B 46 7.889 -9.187 0.141 1.00 0.00 C ATOM 1699 CG MET B 46 9.122 -9.535 -0.675 1.00 0.00 C ATOM 1700 SD MET B 46 9.078 -11.217 -1.319 1.00 0.00 S ATOM 1701 CE MET B 46 7.974 -11.005 -2.714 1.00 0.00 C ATOM 0 H MET B 46 8.580 -7.482 1.916 1.00 0.00 H new ATOM 0 HA MET B 46 7.725 -7.340 -0.892 1.00 0.00 H new ATOM 0 HB2 MET B 46 8.046 -9.500 1.173 1.00 0.00 H new ATOM 0 HB3 MET B 46 7.040 -9.755 -0.239 1.00 0.00 H new ATOM 0 HG2 MET B 46 9.213 -8.835 -1.505 1.00 0.00 H new ATOM 0 HG3 MET B 46 10.010 -9.411 -0.055 1.00 0.00 H new ATOM 0 HE1 MET B 46 8.086 -11.846 -3.398 1.00 0.00 H new ATOM 0 HE2 MET B 46 6.944 -10.960 -2.359 1.00 0.00 H new ATOM 0 HE3 MET B 46 8.219 -10.079 -3.235 1.00 0.00 H new ATOM 1711 N TYR B 47 5.239 -7.360 -0.523 1.00 0.00 N ATOM 1712 CA TYR B 47 3.811 -7.131 -0.290 1.00 0.00 C ATOM 1713 C TYR B 47 3.183 -8.274 0.522 1.00 0.00 C ATOM 1714 O TYR B 47 2.012 -8.216 0.886 1.00 0.00 O ATOM 1715 CB TYR B 47 3.060 -6.968 -1.615 1.00 0.00 C ATOM 1716 CG TYR B 47 3.617 -5.886 -2.516 1.00 0.00 C ATOM 1717 CD1 TYR B 47 4.211 -4.748 -1.987 1.00 0.00 C ATOM 1718 CD2 TYR B 47 3.551 -6.009 -3.898 1.00 0.00 C ATOM 1719 CE1 TYR B 47 4.728 -3.766 -2.810 1.00 0.00 C ATOM 1720 CE2 TYR B 47 4.063 -5.030 -4.726 1.00 0.00 C ATOM 1721 CZ TYR B 47 4.651 -3.911 -4.176 1.00 0.00 C ATOM 1722 OH TYR B 47 5.174 -2.940 -4.996 1.00 0.00 O ATOM 0 H TYR B 47 5.503 -7.415 -1.507 1.00 0.00 H new ATOM 0 HA TYR B 47 3.723 -6.209 0.285 1.00 0.00 H new ATOM 0 HB2 TYR B 47 3.081 -7.917 -2.150 1.00 0.00 H new ATOM 0 HB3 TYR B 47 2.015 -6.745 -1.402 1.00 0.00 H new ATOM 0 HD1 TYR B 47 4.270 -4.629 -0.915 1.00 0.00 H new ATOM 0 HD2 TYR B 47 3.092 -6.885 -4.332 1.00 0.00 H new ATOM 0 HE1 TYR B 47 5.191 -2.888 -2.383 1.00 0.00 H new ATOM 0 HE2 TYR B 47 4.003 -5.140 -5.799 1.00 0.00 H new ATOM 0 HH TYR B 47 5.607 -3.362 -5.768 1.00 0.00 H new ATOM 1732 N ALA B 48 3.972 -9.310 0.787 1.00 0.00 N ATOM 1733 CA ALA B 48 3.517 -10.461 1.551 1.00 0.00 C ATOM 1734 C ALA B 48 3.727 -10.255 3.050 1.00 0.00 C ATOM 1735 O ALA B 48 2.989 -10.808 3.866 1.00 0.00 O ATOM 1736 CB ALA B 48 4.245 -11.714 1.086 1.00 0.00 C ATOM 0 H ALA B 48 4.942 -9.373 0.478 1.00 0.00 H new ATOM 0 HA ALA B 48 2.447 -10.580 1.378 1.00 0.00 H new ATOM 0 HB1 ALA B 48 3.899 -12.571 1.663 1.00 0.00 H new ATOM 0 HB2 ALA B 48 4.041 -11.882 0.029 1.00 0.00 H new ATOM 0 HB3 ALA B 48 5.318 -11.587 1.233 1.00 0.00 H new ATOM 1742 N ASP B 49 4.729 -9.458 3.418 1.00 0.00 N ATOM 1743 CA ASP B 49 5.016 -9.213 4.827 1.00 0.00 C ATOM 1744 C ASP B 49 4.354 -7.931 5.303 1.00 0.00 C ATOM 1745 O ASP B 49 4.345 -7.635 6.497 1.00 0.00 O ATOM 1746 CB ASP B 49 6.532 -9.166 5.091 1.00 0.00 C ATOM 1747 CG ASP B 49 7.253 -8.064 4.327 1.00 0.00 C ATOM 1748 OD1 ASP B 49 7.118 -6.882 4.705 1.00 0.00 O ATOM 1749 OD2 ASP B 49 7.968 -8.386 3.352 1.00 0.00 O ATOM 0 H ASP B 49 5.349 -8.976 2.767 1.00 0.00 H new ATOM 0 HA ASP B 49 4.601 -10.046 5.394 1.00 0.00 H new ATOM 0 HB2 ASP B 49 6.702 -9.026 6.159 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.969 -10.128 4.822 1.00 0.00 H new ATOM 1754 N ILE B 50 3.788 -7.179 4.374 1.00 0.00 N ATOM 1755 CA ILE B 50 3.117 -5.942 4.723 1.00 0.00 C ATOM 1756 C ILE B 50 1.678 -6.230 5.143 1.00 0.00 C ATOM 1757 O ILE B 50 0.877 -6.743 4.365 1.00 0.00 O ATOM 1758 CB ILE B 50 3.140 -4.922 3.569 1.00 0.00 C ATOM 1759 CG1 ILE B 50 4.493 -4.956 2.863 1.00 0.00 C ATOM 1760 CG2 ILE B 50 2.865 -3.525 4.101 1.00 0.00 C ATOM 1761 CD1 ILE B 50 4.591 -4.011 1.691 1.00 0.00 C ATOM 0 H ILE B 50 3.780 -7.403 3.379 1.00 0.00 H new ATOM 0 HA ILE B 50 3.660 -5.499 5.558 1.00 0.00 H new ATOM 0 HB ILE B 50 2.363 -5.186 2.852 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.274 -4.710 3.582 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.686 -5.971 2.517 1.00 0.00 H new ATOM 0 HG21 ILE B 50 2.884 -2.812 3.277 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.885 -3.504 4.578 1.00 0.00 H new ATOM 0 HG23 ILE B 50 3.629 -3.257 4.831 1.00 0.00 H new ATOM 0 HD11 ILE B 50 5.580 -4.091 1.241 1.00 0.00 H new ATOM 0 HD12 ILE B 50 3.833 -4.269 0.951 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.430 -2.989 2.033 1.00 0.00 H new ATOM 1773 N LYS B 51 1.378 -5.900 6.385 1.00 0.00 N ATOM 1774 CA LYS B 51 0.062 -6.126 6.966 1.00 0.00 C ATOM 1775 C LYS B 51 -0.965 -5.136 6.429 1.00 0.00 C ATOM 1776 O LYS B 51 -1.990 -5.533 5.869 1.00 0.00 O ATOM 1777 CB LYS B 51 0.179 -6.008 8.487 1.00 0.00 C ATOM 1778 CG LYS B 51 -1.139 -5.844 9.225 1.00 0.00 C ATOM 1779 CD LYS B 51 -0.891 -5.503 10.685 1.00 0.00 C ATOM 1780 CE LYS B 51 -0.236 -6.666 11.416 1.00 0.00 C ATOM 1781 NZ LYS B 51 -1.158 -7.336 12.369 1.00 0.00 N ATOM 0 H LYS B 51 2.042 -5.465 7.025 1.00 0.00 H new ATOM 0 HA LYS B 51 -0.284 -7.122 6.692 1.00 0.00 H new ATOM 0 HB2 LYS B 51 0.682 -6.897 8.867 1.00 0.00 H new ATOM 0 HB3 LYS B 51 0.817 -5.156 8.722 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -1.730 -5.057 8.757 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -1.720 -6.764 9.154 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -0.253 -4.622 10.752 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -1.835 -5.251 11.168 1.00 0.00 H new ATOM 0 HE2 LYS B 51 0.119 -7.395 10.687 1.00 0.00 H new ATOM 0 HE3 LYS B 51 0.639 -6.304 11.956 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -0.662 -8.120 12.839 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -1.478 -6.651 13.083 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -1.981 -7.707 11.853 1.00 0.00 H new ATOM 1795 N CYS B 52 -0.676 -3.857 6.604 1.00 0.00 N ATOM 1796 CA CYS B 52 -1.559 -2.782 6.163 1.00 0.00 C ATOM 1797 C CYS B 52 -0.726 -1.543 5.900 1.00 0.00 C ATOM 1798 O CYS B 52 0.502 -1.609 5.902 1.00 0.00 O ATOM 1799 CB CYS B 52 -2.634 -2.496 7.219 1.00 0.00 C ATOM 1800 SG CYS B 52 -4.002 -3.681 7.213 1.00 0.00 S ATOM 0 H CYS B 52 0.178 -3.531 7.056 1.00 0.00 H new ATOM 0 HA CYS B 52 -2.068 -3.082 5.247 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -2.170 -2.497 8.205 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -3.033 -1.495 7.055 1.00 0.00 H new ATOM 0 HG CYS B 52 -3.616 -4.786 6.647 1.00 0.00 H new ATOM 1806 N GLN B 53 -1.370 -0.420 5.664 1.00 0.00 N ATOM 1807 CA GLN B 53 -0.643 0.804 5.399 1.00 0.00 C ATOM 1808 C GLN B 53 -1.257 1.966 6.170 1.00 0.00 C ATOM 1809 O GLN B 53 -2.255 1.807 6.857 1.00 0.00 O ATOM 1810 CB GLN B 53 -0.654 1.127 3.900 1.00 0.00 C ATOM 1811 CG GLN B 53 -0.489 -0.083 2.996 1.00 0.00 C ATOM 1812 CD GLN B 53 -1.412 -0.033 1.796 1.00 0.00 C ATOM 1813 OE1 GLN B 53 -2.591 -0.632 1.923 1.00 0.00 O flip ATOM 1814 NE2 GLN B 53 -1.073 0.536 0.763 1.00 0.00 N flip ATOM 0 H GLN B 53 -2.386 -0.328 5.650 1.00 0.00 H new ATOM 0 HA GLN B 53 0.387 0.659 5.725 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -1.593 1.623 3.655 1.00 0.00 H new ATOM 0 HB3 GLN B 53 0.146 1.836 3.688 1.00 0.00 H new ATOM 0 HG2 GLN B 53 0.545 -0.141 2.655 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -0.687 -0.990 3.567 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -0.159 0.985 0.704 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -1.705 0.560 -0.037 1.00 0.00 H new ATOM 1823 N LYS B 54 -0.630 3.117 6.059 1.00 0.00 N ATOM 1824 CA LYS B 54 -1.091 4.349 6.675 1.00 0.00 C ATOM 1825 C LYS B 54 -0.699 5.483 5.751 1.00 0.00 C ATOM 1826 O LYS B 54 0.349 5.420 5.121 1.00 0.00 O ATOM 1827 CB LYS B 54 -0.467 4.555 8.050 1.00 0.00 C ATOM 1828 CG LYS B 54 -1.172 3.814 9.167 1.00 0.00 C ATOM 1829 CD LYS B 54 -1.711 4.783 10.198 1.00 0.00 C ATOM 1830 CE LYS B 54 -1.883 4.121 11.550 1.00 0.00 C ATOM 1831 NZ LYS B 54 -0.576 3.751 12.146 1.00 0.00 N ATOM 0 H LYS B 54 0.233 3.228 5.527 1.00 0.00 H new ATOM 0 HA LYS B 54 -2.171 4.310 6.820 1.00 0.00 H new ATOM 0 HB2 LYS B 54 0.574 4.234 8.016 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -0.465 5.620 8.280 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -1.989 3.221 8.757 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -0.480 3.118 9.642 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -1.032 5.631 10.291 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -2.670 5.178 9.861 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -2.412 4.797 12.222 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -2.501 3.229 11.443 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -0.691 2.901 12.734 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 0.109 3.558 11.388 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -0.229 4.535 12.735 1.00 0.00 H new ATOM 1845 N ILE B 55 -1.513 6.513 5.640 1.00 0.00 N ATOM 1846 CA ILE B 55 -1.185 7.601 4.727 1.00 0.00 C ATOM 1847 C ILE B 55 -1.628 8.956 5.218 1.00 0.00 C ATOM 1848 O ILE B 55 -2.666 9.077 5.846 1.00 0.00 O ATOM 1849 CB ILE B 55 -1.871 7.401 3.366 1.00 0.00 C ATOM 1850 CG1 ILE B 55 -3.377 7.224 3.560 1.00 0.00 C ATOM 1851 CG2 ILE B 55 -1.290 6.217 2.638 1.00 0.00 C ATOM 1852 CD1 ILE B 55 -4.188 7.608 2.351 1.00 0.00 C ATOM 0 H ILE B 55 -2.387 6.624 6.154 1.00 0.00 H new ATOM 0 HA ILE B 55 -0.098 7.576 4.652 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.695 8.288 2.758 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -3.583 6.183 3.810 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.699 7.826 4.410 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -1.793 6.097 1.678 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.225 6.379 2.472 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.431 5.317 3.236 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -5.247 7.457 2.560 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.011 8.657 2.112 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.894 6.989 1.504 1.00 0.00 H new ATOM 1864 N SER B 56 -0.824 9.965 4.930 1.00 0.00 N ATOM 1865 CA SER B 56 -1.185 11.330 5.241 1.00 0.00 C ATOM 1866 C SER B 56 -2.086 11.791 4.102 1.00 0.00 C ATOM 1867 O SER B 56 -1.604 12.078 3.010 1.00 0.00 O ATOM 1868 CB SER B 56 0.063 12.202 5.351 1.00 0.00 C ATOM 1869 OG SER B 56 0.922 11.718 6.368 1.00 0.00 O ATOM 0 H SER B 56 0.085 9.860 4.480 1.00 0.00 H new ATOM 0 HA SER B 56 -1.698 11.406 6.200 1.00 0.00 H new ATOM 0 HB2 SER B 56 0.590 12.213 4.397 1.00 0.00 H new ATOM 0 HB3 SER B 56 -0.224 13.231 5.569 1.00 0.00 H new ATOM 0 HG SER B 56 0.397 11.226 7.033 1.00 0.00 H new ATOM 1875 N PRO B 57 -3.402 11.836 4.341 1.00 0.00 N ATOM 1876 CA PRO B 57 -4.399 12.164 3.314 1.00 0.00 C ATOM 1877 C PRO B 57 -4.224 13.542 2.675 1.00 0.00 C ATOM 1878 O PRO B 57 -3.452 14.383 3.153 1.00 0.00 O ATOM 1879 CB PRO B 57 -5.727 12.072 4.063 1.00 0.00 C ATOM 1880 CG PRO B 57 -5.425 11.237 5.247 1.00 0.00 C ATOM 1881 CD PRO B 57 -4.040 11.615 5.646 1.00 0.00 C ATOM 0 HA PRO B 57 -4.315 11.485 2.465 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -6.088 13.058 4.354 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -6.502 11.619 3.444 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -6.133 11.426 6.054 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -5.490 10.176 5.008 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -4.023 12.511 6.266 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -3.548 10.825 6.213 1.00 0.00 H new ATOM 1889 N GLU B 58 -4.957 13.747 1.589 1.00 0.00 N ATOM 1890 CA GLU B 58 -4.924 14.986 0.833 1.00 0.00 C ATOM 1891 C GLU B 58 -5.270 16.183 1.712 1.00 0.00 C ATOM 1892 O GLU B 58 -6.331 16.237 2.334 1.00 0.00 O ATOM 1893 CB GLU B 58 -5.883 14.906 -0.365 1.00 0.00 C ATOM 1894 CG GLU B 58 -7.253 14.322 -0.032 1.00 0.00 C ATOM 1895 CD GLU B 58 -7.317 12.813 -0.202 1.00 0.00 C ATOM 1896 OE1 GLU B 58 -6.729 12.091 0.636 1.00 0.00 O ATOM 1897 OE2 GLU B 58 -7.960 12.351 -1.167 1.00 0.00 O ATOM 0 H GLU B 58 -5.596 13.050 1.207 1.00 0.00 H new ATOM 0 HA GLU B 58 -3.908 15.126 0.464 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -6.017 15.907 -0.776 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -5.422 14.300 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -7.509 14.577 0.996 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -8.004 14.786 -0.672 1.00 0.00 H new ATOM 1904 N GLY B 59 -4.354 17.135 1.764 1.00 0.00 N ATOM 1905 CA GLY B 59 -4.554 18.323 2.565 1.00 0.00 C ATOM 1906 C GLY B 59 -3.427 18.511 3.552 1.00 0.00 C ATOM 1907 O GLY B 59 -3.164 19.623 4.012 1.00 0.00 O ATOM 0 H GLY B 59 -3.467 17.106 1.261 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -4.622 19.196 1.916 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -5.501 18.249 3.100 1.00 0.00 H new ATOM 1911 N LYS B 60 -2.753 17.415 3.872 1.00 0.00 N ATOM 1912 CA LYS B 60 -1.638 17.447 4.802 1.00 0.00 C ATOM 1913 C LYS B 60 -0.403 18.029 4.138 1.00 0.00 C ATOM 1914 O LYS B 60 -0.096 17.709 2.990 1.00 0.00 O ATOM 1915 CB LYS B 60 -1.341 16.047 5.325 1.00 0.00 C ATOM 1916 CG LYS B 60 -2.372 15.551 6.309 1.00 0.00 C ATOM 1917 CD LYS B 60 -1.843 14.369 7.083 1.00 0.00 C ATOM 1918 CE LYS B 60 -0.635 14.746 7.929 1.00 0.00 C ATOM 1919 NZ LYS B 60 -0.954 15.791 8.939 1.00 0.00 N ATOM 0 H LYS B 60 -2.962 16.489 3.498 1.00 0.00 H new ATOM 0 HA LYS B 60 -1.913 18.085 5.642 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -1.288 15.355 4.484 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -0.361 16.044 5.802 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -2.641 16.352 6.997 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -3.281 15.268 5.779 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -2.629 13.974 7.726 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -1.568 13.574 6.390 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -0.258 13.858 8.436 1.00 0.00 H new ATOM 0 HE3 LYS B 60 0.163 15.105 7.279 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -0.442 15.589 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -0.666 16.723 8.577 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -1.977 15.793 9.125 1.00 0.00 H new ATOM 1933 N ALA B 61 0.292 18.892 4.871 1.00 0.00 N ATOM 1934 CA ALA B 61 1.501 19.533 4.371 1.00 0.00 C ATOM 1935 C ALA B 61 2.582 18.511 4.055 1.00 0.00 C ATOM 1936 O ALA B 61 3.179 18.543 2.985 1.00 0.00 O ATOM 1937 CB ALA B 61 2.010 20.541 5.382 1.00 0.00 C ATOM 0 H ALA B 61 0.036 19.165 5.820 1.00 0.00 H new ATOM 0 HA ALA B 61 1.251 20.049 3.444 1.00 0.00 H new ATOM 0 HB1 ALA B 61 2.914 21.015 5.000 1.00 0.00 H new ATOM 0 HB2 ALA B 61 1.247 21.300 5.555 1.00 0.00 H new ATOM 0 HB3 ALA B 61 2.235 20.034 6.320 1.00 0.00 H new ATOM 1943 N LYS B 62 2.844 17.610 4.994 1.00 0.00 N ATOM 1944 CA LYS B 62 3.845 16.582 4.775 1.00 0.00 C ATOM 1945 C LYS B 62 3.176 15.327 4.231 1.00 0.00 C ATOM 1946 O LYS B 62 2.306 14.735 4.875 1.00 0.00 O ATOM 1947 CB LYS B 62 4.654 16.293 6.049 1.00 0.00 C ATOM 1948 CG LYS B 62 3.833 15.998 7.295 1.00 0.00 C ATOM 1949 CD LYS B 62 4.734 15.927 8.520 1.00 0.00 C ATOM 1950 CE LYS B 62 4.196 14.971 9.571 1.00 0.00 C ATOM 1951 NZ LYS B 62 3.823 15.659 10.835 1.00 0.00 N ATOM 0 H LYS B 62 2.382 17.572 5.903 1.00 0.00 H new ATOM 0 HA LYS B 62 4.560 16.943 4.036 1.00 0.00 H new ATOM 0 HB2 LYS B 62 5.309 15.443 5.857 1.00 0.00 H new ATOM 0 HB3 LYS B 62 5.296 17.150 6.253 1.00 0.00 H new ATOM 0 HG2 LYS B 62 3.080 16.774 7.434 1.00 0.00 H new ATOM 0 HG3 LYS B 62 3.300 15.055 7.172 1.00 0.00 H new ATOM 0 HD2 LYS B 62 5.732 15.608 8.218 1.00 0.00 H new ATOM 0 HD3 LYS B 62 4.835 16.922 8.953 1.00 0.00 H new ATOM 0 HE2 LYS B 62 3.323 14.453 9.173 1.00 0.00 H new ATOM 0 HE3 LYS B 62 4.948 14.211 9.784 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 3.691 14.954 11.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 4.579 16.319 11.108 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 2.938 16.186 10.695 1.00 0.00 H new ATOM 1965 N ILE B 63 3.575 14.952 3.028 1.00 0.00 N ATOM 1966 CA ILE B 63 3.017 13.802 2.340 1.00 0.00 C ATOM 1967 C ILE B 63 3.725 12.518 2.786 1.00 0.00 C ATOM 1968 O ILE B 63 4.727 12.118 2.204 1.00 0.00 O ATOM 1969 CB ILE B 63 3.145 14.006 0.810 1.00 0.00 C ATOM 1970 CG1 ILE B 63 2.236 15.152 0.361 1.00 0.00 C ATOM 1971 CG2 ILE B 63 2.793 12.742 0.039 1.00 0.00 C ATOM 1972 CD1 ILE B 63 2.790 16.543 0.590 1.00 0.00 C ATOM 0 H ILE B 63 4.298 15.439 2.499 1.00 0.00 H new ATOM 0 HA ILE B 63 1.961 13.704 2.593 1.00 0.00 H new ATOM 0 HB ILE B 63 4.185 14.250 0.595 1.00 0.00 H new ATOM 0 HG12 ILE B 63 2.026 15.033 -0.702 1.00 0.00 H new ATOM 0 HG13 ILE B 63 1.284 15.066 0.886 1.00 0.00 H new ATOM 0 HG21 ILE B 63 2.896 12.928 -1.030 1.00 0.00 H new ATOM 0 HG22 ILE B 63 3.466 11.937 0.334 1.00 0.00 H new ATOM 0 HG23 ILE B 63 1.765 12.455 0.260 1.00 0.00 H new ATOM 0 HD11 ILE B 63 2.071 17.283 0.239 1.00 0.00 H new ATOM 0 HD12 ILE B 63 2.973 16.691 1.654 1.00 0.00 H new ATOM 0 HD13 ILE B 63 3.725 16.657 0.042 1.00 0.00 H new ATOM 1984 N GLN B 64 3.217 11.876 3.833 1.00 0.00 N ATOM 1985 CA GLN B 64 3.849 10.661 4.339 1.00 0.00 C ATOM 1986 C GLN B 64 3.022 9.408 4.062 1.00 0.00 C ATOM 1987 O GLN B 64 1.789 9.429 4.093 1.00 0.00 O ATOM 1988 CB GLN B 64 4.110 10.759 5.842 1.00 0.00 C ATOM 1989 CG GLN B 64 4.209 12.176 6.375 1.00 0.00 C ATOM 1990 CD GLN B 64 4.695 12.214 7.807 1.00 0.00 C ATOM 1991 OE1 GLN B 64 3.766 12.147 8.751 1.00 0.00 O flip ATOM 1992 NE2 GLN B 64 5.892 12.310 8.063 1.00 0.00 N flip ATOM 0 H GLN B 64 2.383 12.170 4.341 1.00 0.00 H new ATOM 0 HA GLN B 64 4.794 10.572 3.804 1.00 0.00 H new ATOM 0 HB2 GLN B 64 3.310 10.241 6.371 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.037 10.233 6.072 1.00 0.00 H new ATOM 0 HG2 GLN B 64 4.888 12.752 5.747 1.00 0.00 H new ATOM 0 HG3 GLN B 64 3.232 12.656 6.312 1.00 0.00 H new ATOM 0 HE21 GLN B 64 6.573 12.359 7.305 1.00 0.00 H new ATOM 0 HE22 GLN B 64 6.205 12.341 9.033 1.00 0.00 H new ATOM 2001 N LEU B 65 3.728 8.323 3.783 1.00 0.00 N ATOM 2002 CA LEU B 65 3.126 7.025 3.519 1.00 0.00 C ATOM 2003 C LEU B 65 3.724 5.985 4.463 1.00 0.00 C ATOM 2004 O LEU B 65 4.905 5.661 4.360 1.00 0.00 O ATOM 2005 CB LEU B 65 3.402 6.606 2.078 1.00 0.00 C ATOM 2006 CG LEU B 65 2.679 5.340 1.618 1.00 0.00 C ATOM 2007 CD1 LEU B 65 1.329 5.667 0.986 1.00 0.00 C ATOM 2008 CD2 LEU B 65 3.564 4.559 0.667 1.00 0.00 C ATOM 0 H LEU B 65 4.747 8.319 3.733 1.00 0.00 H new ATOM 0 HA LEU B 65 2.050 7.095 3.677 1.00 0.00 H new ATOM 0 HB2 LEU B 65 3.120 7.426 1.418 1.00 0.00 H new ATOM 0 HB3 LEU B 65 4.475 6.456 1.959 1.00 0.00 H new ATOM 0 HG LEU B 65 2.476 4.719 2.491 1.00 0.00 H new ATOM 0 HD11 LEU B 65 0.842 4.744 0.670 1.00 0.00 H new ATOM 0 HD12 LEU B 65 0.700 6.178 1.715 1.00 0.00 H new ATOM 0 HD13 LEU B 65 1.479 6.312 0.121 1.00 0.00 H new ATOM 0 HD21 LEU B 65 3.043 3.658 0.343 1.00 0.00 H new ATOM 0 HD22 LEU B 65 3.798 5.175 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU B 65 4.488 4.281 1.175 1.00 0.00 H new ATOM 2020 N GLN B 66 2.920 5.465 5.370 1.00 0.00 N ATOM 2021 CA GLN B 66 3.387 4.476 6.331 1.00 0.00 C ATOM 2022 C GLN B 66 3.011 3.063 5.899 1.00 0.00 C ATOM 2023 O GLN B 66 1.901 2.816 5.441 1.00 0.00 O ATOM 2024 CB GLN B 66 2.817 4.778 7.714 1.00 0.00 C ATOM 2025 CG GLN B 66 2.969 3.642 8.722 1.00 0.00 C ATOM 2026 CD GLN B 66 2.312 3.954 10.056 1.00 0.00 C ATOM 2027 OE1 GLN B 66 1.747 3.074 10.705 1.00 0.00 O ATOM 2028 NE2 GLN B 66 2.396 5.205 10.483 1.00 0.00 N ATOM 0 H GLN B 66 1.934 5.711 5.464 1.00 0.00 H new ATOM 0 HA GLN B 66 4.475 4.533 6.374 1.00 0.00 H new ATOM 0 HB2 GLN B 66 3.309 5.667 8.110 1.00 0.00 H new ATOM 0 HB3 GLN B 66 1.759 5.018 7.613 1.00 0.00 H new ATOM 0 HG2 GLN B 66 2.531 2.733 8.309 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.029 3.441 8.881 1.00 0.00 H new ATOM 0 HE21 GLN B 66 2.873 5.906 9.916 1.00 0.00 H new ATOM 0 HE22 GLN B 66 1.984 5.467 11.379 1.00 0.00 H new ATOM 2037 N LEU B 67 3.958 2.152 6.014 1.00 0.00 N ATOM 2038 CA LEU B 67 3.732 0.760 5.677 1.00 0.00 C ATOM 2039 C LEU B 67 3.774 -0.079 6.937 1.00 0.00 C ATOM 2040 O LEU B 67 4.836 -0.247 7.535 1.00 0.00 O ATOM 2041 CB LEU B 67 4.792 0.250 4.704 1.00 0.00 C ATOM 2042 CG LEU B 67 4.800 0.912 3.333 1.00 0.00 C ATOM 2043 CD1 LEU B 67 5.846 0.253 2.453 1.00 0.00 C ATOM 2044 CD2 LEU B 67 3.423 0.830 2.690 1.00 0.00 C ATOM 0 H LEU B 67 4.902 2.355 6.342 1.00 0.00 H new ATOM 0 HA LEU B 67 2.754 0.680 5.201 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.773 0.387 5.159 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.650 -0.822 4.569 1.00 0.00 H new ATOM 0 HG LEU B 67 5.052 1.966 3.449 1.00 0.00 H new ATOM 0 HD11 LEU B 67 5.849 0.729 1.473 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.829 0.362 2.912 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.613 -0.806 2.341 1.00 0.00 H new ATOM 0 HD21 LEU B 67 3.449 1.309 1.711 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.137 -0.215 2.575 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.695 1.338 3.323 1.00 0.00 H new ATOM 2056 N VAL B 68 2.630 -0.587 7.348 1.00 0.00 N ATOM 2057 CA VAL B 68 2.559 -1.409 8.539 1.00 0.00 C ATOM 2058 C VAL B 68 2.773 -2.860 8.173 1.00 0.00 C ATOM 2059 O VAL B 68 1.920 -3.483 7.550 1.00 0.00 O ATOM 2060 CB VAL B 68 1.210 -1.275 9.260 1.00 0.00 C ATOM 2061 CG1 VAL B 68 1.284 -1.942 10.616 1.00 0.00 C ATOM 2062 CG2 VAL B 68 0.823 0.181 9.404 1.00 0.00 C ATOM 0 H VAL B 68 1.737 -0.445 6.875 1.00 0.00 H new ATOM 0 HA VAL B 68 3.341 -1.062 9.215 1.00 0.00 H new ATOM 0 HB VAL B 68 0.443 -1.770 8.664 1.00 0.00 H new ATOM 0 HG11 VAL B 68 0.324 -1.844 11.123 1.00 0.00 H new ATOM 0 HG12 VAL B 68 1.521 -2.998 10.489 1.00 0.00 H new ATOM 0 HG13 VAL B 68 2.061 -1.465 11.214 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -0.136 0.254 9.917 1.00 0.00 H new ATOM 0 HG22 VAL B 68 1.585 0.704 9.982 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.741 0.635 8.416 1.00 0.00 H new ATOM 2072 N LEU B 69 3.907 -3.398 8.560 1.00 0.00 N ATOM 2073 CA LEU B 69 4.228 -4.772 8.244 1.00 0.00 C ATOM 2074 C LEU B 69 3.691 -5.719 9.310 1.00 0.00 C ATOM 2075 O LEU B 69 3.267 -5.291 10.384 1.00 0.00 O ATOM 2076 CB LEU B 69 5.731 -4.923 8.093 1.00 0.00 C ATOM 2077 CG LEU B 69 6.430 -3.707 7.481 1.00 0.00 C ATOM 2078 CD1 LEU B 69 7.925 -3.885 7.494 1.00 0.00 C ATOM 2079 CD2 LEU B 69 5.956 -3.451 6.067 1.00 0.00 C ATOM 0 H LEU B 69 4.623 -2.906 9.094 1.00 0.00 H new ATOM 0 HA LEU B 69 3.749 -5.036 7.301 1.00 0.00 H new ATOM 0 HB2 LEU B 69 6.164 -5.121 9.073 1.00 0.00 H new ATOM 0 HB3 LEU B 69 5.936 -5.795 7.472 1.00 0.00 H new ATOM 0 HG LEU B 69 6.171 -2.843 8.092 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.400 -3.008 7.054 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.268 -4.006 8.521 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.191 -4.770 6.916 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.472 -2.581 5.662 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.172 -4.322 5.448 1.00 0.00 H new ATOM 0 HD23 LEU B 69 4.882 -3.266 6.071 1.00 0.00 H new ATOM 2091 N HIS B 70 3.705 -7.005 8.999 1.00 0.00 N ATOM 2092 CA HIS B 70 3.207 -8.028 9.914 1.00 0.00 C ATOM 2093 C HIS B 70 4.161 -8.269 11.074 1.00 0.00 C ATOM 2094 O HIS B 70 3.746 -8.728 12.135 1.00 0.00 O ATOM 2095 CB HIS B 70 2.977 -9.347 9.176 1.00 0.00 C ATOM 2096 CG HIS B 70 1.652 -9.420 8.495 1.00 0.00 C ATOM 2097 ND1 HIS B 70 0.452 -9.512 9.163 1.00 0.00 N ATOM 2098 CD2 HIS B 70 1.345 -9.389 7.175 1.00 0.00 C ATOM 2099 CE1 HIS B 70 -0.523 -9.526 8.254 1.00 0.00 C ATOM 2100 NE2 HIS B 70 -0.039 -9.455 7.031 1.00 0.00 N ATOM 0 H HIS B 70 4.058 -7.370 8.114 1.00 0.00 H new ATOM 0 HA HIS B 70 2.263 -7.658 10.314 1.00 0.00 H new ATOM 0 HB2 HIS B 70 3.766 -9.483 8.436 1.00 0.00 H new ATOM 0 HB3 HIS B 70 3.059 -10.171 9.885 1.00 0.00 H new ATOM 0 HD1 HIS B 70 0.330 -9.561 10.175 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.058 -9.324 6.366 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -1.575 -9.588 8.490 1.00 0.00 H new ATOM 2108 N ALA B 71 5.428 -7.952 10.875 1.00 0.00 N ATOM 2109 CA ALA B 71 6.430 -8.167 11.908 1.00 0.00 C ATOM 2110 C ALA B 71 6.272 -7.180 13.062 1.00 0.00 C ATOM 2111 O ALA B 71 6.571 -7.506 14.211 1.00 0.00 O ATOM 2112 CB ALA B 71 7.823 -8.087 11.307 1.00 0.00 C ATOM 0 H ALA B 71 5.788 -7.546 10.011 1.00 0.00 H new ATOM 0 HA ALA B 71 6.283 -9.165 12.320 1.00 0.00 H new ATOM 0 HB1 ALA B 71 8.566 -8.249 12.088 1.00 0.00 H new ATOM 0 HB2 ALA B 71 7.932 -8.852 10.538 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.972 -7.103 10.863 1.00 0.00 H new ATOM 2118 N GLY B 72 5.777 -5.989 12.759 1.00 0.00 N ATOM 2119 CA GLY B 72 5.602 -4.982 13.786 1.00 0.00 C ATOM 2120 C GLY B 72 6.494 -3.805 13.507 1.00 0.00 C ATOM 2121 O GLY B 72 6.951 -3.107 14.412 1.00 0.00 O ATOM 0 H GLY B 72 5.494 -5.702 11.822 1.00 0.00 H new ATOM 0 HA2 GLY B 72 4.561 -4.661 13.818 1.00 0.00 H new ATOM 0 HA3 GLY B 72 5.836 -5.403 14.764 1.00 0.00 H new ATOM 2125 N ASP B 73 6.710 -3.591 12.227 1.00 0.00 N ATOM 2126 CA ASP B 73 7.550 -2.540 11.731 1.00 0.00 C ATOM 2127 C ASP B 73 6.713 -1.695 10.825 1.00 0.00 C ATOM 2128 O ASP B 73 5.938 -2.213 10.023 1.00 0.00 O ATOM 2129 CB ASP B 73 8.737 -3.096 10.929 1.00 0.00 C ATOM 2130 CG ASP B 73 8.792 -4.613 10.911 1.00 0.00 C ATOM 2131 OD1 ASP B 73 7.831 -5.237 10.406 1.00 0.00 O ATOM 2132 OD2 ASP B 73 9.791 -5.178 11.399 1.00 0.00 O ATOM 0 H ASP B 73 6.293 -4.161 11.491 1.00 0.00 H new ATOM 0 HA ASP B 73 7.951 -1.972 12.570 1.00 0.00 H new ATOM 0 HB2 ASP B 73 8.678 -2.729 9.904 1.00 0.00 H new ATOM 0 HB3 ASP B 73 9.665 -2.711 11.352 1.00 0.00 H new ATOM 2137 N THR B 74 6.815 -0.412 10.966 1.00 0.00 N ATOM 2138 CA THR B 74 6.057 0.455 10.123 1.00 0.00 C ATOM 2139 C THR B 74 6.986 1.516 9.530 1.00 0.00 C ATOM 2140 O THR B 74 7.599 2.288 10.267 1.00 0.00 O ATOM 2141 CB THR B 74 4.916 1.108 10.914 1.00 0.00 C ATOM 2142 OG1 THR B 74 5.433 1.813 12.050 1.00 0.00 O ATOM 2143 CG2 THR B 74 3.910 0.067 11.379 1.00 0.00 C ATOM 0 H THR B 74 7.410 0.055 11.650 1.00 0.00 H new ATOM 0 HA THR B 74 5.612 -0.122 9.313 1.00 0.00 H new ATOM 0 HB THR B 74 4.412 1.812 10.251 1.00 0.00 H new ATOM 0 HG1 THR B 74 6.359 2.083 11.874 1.00 0.00 H new ATOM 0 HG21 THR B 74 3.112 0.556 11.937 1.00 0.00 H new ATOM 0 HG22 THR B 74 3.488 -0.443 10.513 1.00 0.00 H new ATOM 0 HG23 THR B 74 4.409 -0.660 12.021 1.00 0.00 H new ATOM 2151 N THR B 75 7.100 1.549 8.214 1.00 0.00 N ATOM 2152 CA THR B 75 7.980 2.505 7.548 1.00 0.00 C ATOM 2153 C THR B 75 7.187 3.674 6.974 1.00 0.00 C ATOM 2154 O THR B 75 6.252 3.468 6.209 1.00 0.00 O ATOM 2155 CB THR B 75 8.771 1.812 6.417 1.00 0.00 C ATOM 2156 OG1 THR B 75 9.562 0.746 6.960 1.00 0.00 O ATOM 2157 CG2 THR B 75 9.673 2.799 5.688 1.00 0.00 C ATOM 0 H THR B 75 6.596 0.927 7.582 1.00 0.00 H new ATOM 0 HA THR B 75 8.677 2.889 8.293 1.00 0.00 H new ATOM 0 HB THR B 75 8.055 1.411 5.700 1.00 0.00 H new ATOM 0 HG1 THR B 75 9.702 0.061 6.274 1.00 0.00 H new ATOM 0 HG21 THR B 75 10.216 2.280 4.898 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.066 3.592 5.251 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.383 3.232 6.393 1.00 0.00 H new ATOM 2165 N ASN B 76 7.560 4.899 7.335 1.00 0.00 N ATOM 2166 CA ASN B 76 6.855 6.075 6.834 1.00 0.00 C ATOM 2167 C ASN B 76 7.718 6.828 5.829 1.00 0.00 C ATOM 2168 O ASN B 76 8.788 7.337 6.163 1.00 0.00 O ATOM 2169 CB ASN B 76 6.444 7.028 7.969 1.00 0.00 C ATOM 2170 CG ASN B 76 6.121 6.325 9.274 1.00 0.00 C ATOM 2171 OD1 ASN B 76 4.984 5.931 9.511 1.00 0.00 O ATOM 2172 ND2 ASN B 76 7.115 6.182 10.136 1.00 0.00 N ATOM 0 H ASN B 76 8.336 5.102 7.965 1.00 0.00 H new ATOM 0 HA ASN B 76 5.949 5.718 6.345 1.00 0.00 H new ATOM 0 HB2 ASN B 76 7.250 7.741 8.141 1.00 0.00 H new ATOM 0 HB3 ASN B 76 5.573 7.602 7.651 1.00 0.00 H new ATOM 0 HD21 ASN B 76 6.949 5.730 11.035 1.00 0.00 H new ATOM 0 HD22 ASN B 76 8.047 6.524 9.901 1.00 0.00 H new ATOM 2179 N PHE B 77 7.260 6.867 4.590 1.00 0.00 N ATOM 2180 CA PHE B 77 7.963 7.568 3.531 1.00 0.00 C ATOM 2181 C PHE B 77 7.451 8.998 3.446 1.00 0.00 C ATOM 2182 O PHE B 77 6.249 9.221 3.347 1.00 0.00 O ATOM 2183 CB PHE B 77 7.764 6.854 2.194 1.00 0.00 C ATOM 2184 CG PHE B 77 8.386 5.488 2.152 1.00 0.00 C ATOM 2185 CD1 PHE B 77 9.750 5.331 2.327 1.00 0.00 C ATOM 2186 CD2 PHE B 77 7.608 4.363 1.938 1.00 0.00 C ATOM 2187 CE1 PHE B 77 10.328 4.078 2.290 1.00 0.00 C ATOM 2188 CE2 PHE B 77 8.181 3.106 1.898 1.00 0.00 C ATOM 2189 CZ PHE B 77 9.542 2.964 2.073 1.00 0.00 C ATOM 0 H PHE B 77 6.395 6.416 4.291 1.00 0.00 H new ATOM 0 HA PHE B 77 9.029 7.579 3.756 1.00 0.00 H new ATOM 0 HB2 PHE B 77 6.696 6.766 1.992 1.00 0.00 H new ATOM 0 HB3 PHE B 77 8.190 7.464 1.397 1.00 0.00 H new ATOM 0 HD1 PHE B 77 10.370 6.200 2.495 1.00 0.00 H new ATOM 0 HD2 PHE B 77 6.542 4.469 1.801 1.00 0.00 H new ATOM 0 HE1 PHE B 77 11.393 3.969 2.431 1.00 0.00 H new ATOM 0 HE2 PHE B 77 7.564 2.236 1.730 1.00 0.00 H new ATOM 0 HZ PHE B 77 9.992 1.983 2.040 1.00 0.00 H new ATOM 2199 N HIS B 78 8.357 9.956 3.475 1.00 0.00 N ATOM 2200 CA HIS B 78 7.981 11.363 3.433 1.00 0.00 C ATOM 2201 C HIS B 78 8.240 11.946 2.048 1.00 0.00 C ATOM 2202 O HIS B 78 9.382 12.189 1.667 1.00 0.00 O ATOM 2203 CB HIS B 78 8.765 12.146 4.494 1.00 0.00 C ATOM 2204 CG HIS B 78 8.435 13.607 4.539 1.00 0.00 C ATOM 2205 ND1 HIS B 78 9.378 14.599 4.696 1.00 0.00 N ATOM 2206 CD2 HIS B 78 7.239 14.239 4.440 1.00 0.00 C ATOM 2207 CE1 HIS B 78 8.741 15.775 4.689 1.00 0.00 C ATOM 2208 NE2 HIS B 78 7.442 15.612 4.536 1.00 0.00 N ATOM 0 H HIS B 78 9.362 9.789 3.528 1.00 0.00 H new ATOM 0 HA HIS B 78 6.915 11.446 3.646 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.568 11.709 5.473 1.00 0.00 H new ATOM 0 HB3 HIS B 78 9.832 12.030 4.302 1.00 0.00 H new ATOM 0 HD1 HIS B 78 10.383 14.461 4.799 1.00 0.00 H new ATOM 0 HD2 HIS B 78 6.283 13.754 4.308 1.00 0.00 H new ATOM 0 HE1 HIS B 78 9.228 16.733 4.795 1.00 0.00 H new ATOM 2216 N PHE B 79 7.178 12.149 1.292 1.00 0.00 N ATOM 2217 CA PHE B 79 7.289 12.718 -0.038 1.00 0.00 C ATOM 2218 C PHE B 79 7.400 14.228 0.088 1.00 0.00 C ATOM 2219 O PHE B 79 6.544 14.871 0.693 1.00 0.00 O ATOM 2220 CB PHE B 79 6.083 12.334 -0.898 1.00 0.00 C ATOM 2221 CG PHE B 79 5.973 10.858 -1.172 1.00 0.00 C ATOM 2222 CD1 PHE B 79 5.649 9.969 -0.157 1.00 0.00 C ATOM 2223 CD2 PHE B 79 6.189 10.362 -2.445 1.00 0.00 C ATOM 2224 CE1 PHE B 79 5.545 8.616 -0.410 1.00 0.00 C ATOM 2225 CE2 PHE B 79 6.084 9.009 -2.703 1.00 0.00 C ATOM 2226 CZ PHE B 79 5.762 8.136 -1.684 1.00 0.00 C ATOM 0 H PHE B 79 6.224 11.927 1.578 1.00 0.00 H new ATOM 0 HA PHE B 79 8.178 12.324 -0.530 1.00 0.00 H new ATOM 0 HB2 PHE B 79 5.173 12.670 -0.401 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.142 12.866 -1.847 1.00 0.00 H new ATOM 0 HD1 PHE B 79 5.476 10.340 0.842 1.00 0.00 H new ATOM 0 HD2 PHE B 79 6.443 11.040 -3.246 1.00 0.00 H new ATOM 0 HE1 PHE B 79 5.294 7.934 0.389 1.00 0.00 H new ATOM 0 HE2 PHE B 79 6.254 8.635 -3.702 1.00 0.00 H new ATOM 0 HZ PHE B 79 5.680 7.078 -1.884 1.00 0.00 H new ATOM 2236 N SER B 80 8.452 14.782 -0.480 1.00 0.00 N ATOM 2237 CA SER B 80 8.705 16.213 -0.388 1.00 0.00 C ATOM 2238 C SER B 80 8.830 16.858 -1.763 1.00 0.00 C ATOM 2239 O SER B 80 9.823 17.516 -2.072 1.00 0.00 O ATOM 2240 CB SER B 80 9.968 16.462 0.437 1.00 0.00 C ATOM 2241 OG SER B 80 9.943 15.699 1.633 1.00 0.00 O ATOM 0 H SER B 80 9.150 14.264 -1.013 1.00 0.00 H new ATOM 0 HA SER B 80 7.851 16.674 0.107 1.00 0.00 H new ATOM 0 HB2 SER B 80 10.849 16.200 -0.149 1.00 0.00 H new ATOM 0 HB3 SER B 80 10.048 17.522 0.677 1.00 0.00 H new ATOM 0 HG SER B 80 10.297 16.237 2.372 1.00 0.00 H new ATOM 2247 N ASN B 81 7.849 16.611 -2.607 1.00 0.00 N ATOM 2248 CA ASN B 81 7.813 17.205 -3.921 1.00 0.00 C ATOM 2249 C ASN B 81 6.645 18.175 -3.952 1.00 0.00 C ATOM 2250 O ASN B 81 5.546 17.821 -4.388 1.00 0.00 O ATOM 2251 CB ASN B 81 7.659 16.120 -4.979 1.00 0.00 C ATOM 2252 CG ASN B 81 7.608 16.663 -6.390 1.00 0.00 C ATOM 2253 OD1 ASN B 81 8.173 17.708 -6.696 1.00 0.00 O ATOM 2254 ND2 ASN B 81 6.941 15.934 -7.259 1.00 0.00 N ATOM 0 H ASN B 81 7.061 15.997 -2.400 1.00 0.00 H new ATOM 0 HA ASN B 81 8.740 17.737 -4.136 1.00 0.00 H new ATOM 0 HB2 ASN B 81 8.491 15.421 -4.896 1.00 0.00 H new ATOM 0 HB3 ASN B 81 6.748 15.556 -4.781 1.00 0.00 H new ATOM 0 HD21 ASN B 81 6.878 16.231 -8.233 1.00 0.00 H new ATOM 0 HD22 ASN B 81 6.487 15.071 -6.959 1.00 0.00 H new ATOM 2261 N GLU B 82 6.890 19.373 -3.432 1.00 0.00 N ATOM 2262 CA GLU B 82 5.879 20.428 -3.323 1.00 0.00 C ATOM 2263 C GLU B 82 5.263 20.795 -4.670 1.00 0.00 C ATOM 2264 O GLU B 82 5.610 21.810 -5.273 1.00 0.00 O ATOM 2265 CB GLU B 82 6.475 21.670 -2.654 1.00 0.00 C ATOM 2266 CG GLU B 82 6.594 21.552 -1.138 1.00 0.00 C ATOM 2267 CD GLU B 82 7.409 20.348 -0.703 1.00 0.00 C ATOM 2268 OE1 GLU B 82 8.649 20.462 -0.639 1.00 0.00 O ATOM 2269 OE2 GLU B 82 6.808 19.282 -0.449 1.00 0.00 O ATOM 0 H GLU B 82 7.804 19.645 -3.070 1.00 0.00 H new ATOM 0 HA GLU B 82 5.074 20.033 -2.703 1.00 0.00 H new ATOM 0 HB2 GLU B 82 7.463 21.859 -3.074 1.00 0.00 H new ATOM 0 HB3 GLU B 82 5.856 22.534 -2.895 1.00 0.00 H new ATOM 0 HG2 GLU B 82 7.054 22.458 -0.743 1.00 0.00 H new ATOM 0 HG3 GLU B 82 5.596 21.485 -0.704 1.00 0.00 H new ATOM 2276 N SER B 83 4.334 19.948 -5.101 1.00 0.00 N ATOM 2277 CA SER B 83 3.605 20.086 -6.352 1.00 0.00 C ATOM 2278 C SER B 83 2.802 18.813 -6.605 1.00 0.00 C ATOM 2279 O SER B 83 1.595 18.857 -6.868 1.00 0.00 O ATOM 2280 CB SER B 83 4.551 20.333 -7.539 1.00 0.00 C ATOM 2281 OG SER B 83 4.796 21.715 -7.723 1.00 0.00 O ATOM 0 H SER B 83 4.061 19.121 -4.570 1.00 0.00 H new ATOM 0 HA SER B 83 2.943 20.948 -6.265 1.00 0.00 H new ATOM 0 HB2 SER B 83 5.494 19.814 -7.369 1.00 0.00 H new ATOM 0 HB3 SER B 83 4.116 19.915 -8.447 1.00 0.00 H new ATOM 0 HG SER B 83 5.162 22.095 -6.897 1.00 0.00 H new ATOM 2287 N THR B 84 3.476 17.667 -6.520 1.00 0.00 N ATOM 2288 CA THR B 84 2.819 16.390 -6.764 1.00 0.00 C ATOM 2289 C THR B 84 3.033 15.385 -5.638 1.00 0.00 C ATOM 2290 O THR B 84 2.535 14.269 -5.731 1.00 0.00 O ATOM 2291 CB THR B 84 3.301 15.756 -8.085 1.00 0.00 C ATOM 2292 OG1 THR B 84 4.402 14.879 -7.845 1.00 0.00 O ATOM 2293 CG2 THR B 84 3.746 16.820 -9.066 1.00 0.00 C ATOM 0 H THR B 84 4.467 17.599 -6.286 1.00 0.00 H new ATOM 0 HA THR B 84 1.755 16.618 -6.823 1.00 0.00 H new ATOM 0 HB THR B 84 2.463 15.200 -8.504 1.00 0.00 H new ATOM 0 HG1 THR B 84 4.696 14.484 -8.692 1.00 0.00 H new ATOM 0 HG21 THR B 84 4.081 16.347 -9.989 1.00 0.00 H new ATOM 0 HG22 THR B 84 2.912 17.487 -9.282 1.00 0.00 H new ATOM 0 HG23 THR B 84 4.566 17.393 -8.634 1.00 0.00 H new ATOM 2301 N ALA B 85 3.759 15.782 -4.591 1.00 0.00 N ATOM 2302 CA ALA B 85 4.057 14.901 -3.453 1.00 0.00 C ATOM 2303 C ALA B 85 2.861 14.034 -3.060 1.00 0.00 C ATOM 2304 O ALA B 85 2.958 12.807 -3.049 1.00 0.00 O ATOM 2305 CB ALA B 85 4.531 15.722 -2.268 1.00 0.00 C ATOM 0 H ALA B 85 4.156 16.717 -4.505 1.00 0.00 H new ATOM 0 HA ALA B 85 4.852 14.224 -3.765 1.00 0.00 H new ATOM 0 HB1 ALA B 85 4.749 15.060 -1.430 1.00 0.00 H new ATOM 0 HB2 ALA B 85 5.433 16.269 -2.542 1.00 0.00 H new ATOM 0 HB3 ALA B 85 3.752 16.428 -1.979 1.00 0.00 H new ATOM 2311 N VAL B 86 1.742 14.679 -2.737 1.00 0.00 N ATOM 2312 CA VAL B 86 0.515 13.971 -2.372 1.00 0.00 C ATOM 2313 C VAL B 86 0.146 12.909 -3.408 1.00 0.00 C ATOM 2314 O VAL B 86 -0.025 11.744 -3.067 1.00 0.00 O ATOM 2315 CB VAL B 86 -0.654 14.970 -2.166 1.00 0.00 C ATOM 2316 CG1 VAL B 86 -1.992 14.367 -2.567 1.00 0.00 C ATOM 2317 CG2 VAL B 86 -0.730 15.419 -0.717 1.00 0.00 C ATOM 0 H VAL B 86 1.659 15.695 -2.720 1.00 0.00 H new ATOM 0 HA VAL B 86 0.700 13.457 -1.429 1.00 0.00 H new ATOM 0 HB VAL B 86 -0.451 15.827 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -2.784 15.099 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -1.964 14.087 -3.620 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -2.188 13.482 -1.961 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -1.557 16.119 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -0.891 14.553 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL B 86 0.203 15.908 -0.438 1.00 0.00 H new ATOM 2327 N LYS B 87 0.082 13.307 -4.671 1.00 0.00 N ATOM 2328 CA LYS B 87 -0.276 12.392 -5.751 1.00 0.00 C ATOM 2329 C LYS B 87 0.751 11.269 -5.890 1.00 0.00 C ATOM 2330 O LYS B 87 0.390 10.144 -6.207 1.00 0.00 O ATOM 2331 CB LYS B 87 -0.407 13.164 -7.069 1.00 0.00 C ATOM 2332 CG LYS B 87 -1.606 14.103 -7.109 1.00 0.00 C ATOM 2333 CD LYS B 87 -1.374 15.282 -8.044 1.00 0.00 C ATOM 2334 CE LYS B 87 -0.718 16.449 -7.317 1.00 0.00 C ATOM 2335 NZ LYS B 87 -0.536 17.635 -8.202 1.00 0.00 N ATOM 0 H LYS B 87 0.274 14.261 -4.976 1.00 0.00 H new ATOM 0 HA LYS B 87 -1.236 11.936 -5.508 1.00 0.00 H new ATOM 0 HB2 LYS B 87 0.502 13.742 -7.234 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -0.486 12.452 -7.891 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -2.488 13.551 -7.433 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -1.812 14.472 -6.104 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -0.743 14.969 -8.876 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -2.325 15.604 -8.468 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -1.328 16.729 -6.458 1.00 0.00 H new ATOM 0 HE3 LYS B 87 0.251 16.135 -6.930 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 0.249 18.217 -7.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -0.320 17.317 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -1.409 18.199 -8.210 1.00 0.00 H new ATOM 2349 N GLU B 88 2.022 11.577 -5.650 1.00 0.00 N ATOM 2350 CA GLU B 88 3.077 10.571 -5.740 1.00 0.00 C ATOM 2351 C GLU B 88 2.879 9.511 -4.657 1.00 0.00 C ATOM 2352 O GLU B 88 2.966 8.310 -4.922 1.00 0.00 O ATOM 2353 CB GLU B 88 4.458 11.224 -5.621 1.00 0.00 C ATOM 2354 CG GLU B 88 4.920 11.895 -6.907 1.00 0.00 C ATOM 2355 CD GLU B 88 6.254 12.608 -6.766 1.00 0.00 C ATOM 2356 OE1 GLU B 88 6.330 13.589 -5.999 1.00 0.00 O ATOM 2357 OE2 GLU B 88 7.231 12.203 -7.433 1.00 0.00 O ATOM 0 H GLU B 88 2.346 12.509 -5.393 1.00 0.00 H new ATOM 0 HA GLU B 88 3.020 10.087 -6.715 1.00 0.00 H new ATOM 0 HB2 GLU B 88 4.434 11.964 -4.821 1.00 0.00 H new ATOM 0 HB3 GLU B 88 5.187 10.466 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU B 88 4.999 11.144 -7.693 1.00 0.00 H new ATOM 0 HG3 GLU B 88 4.164 12.613 -7.226 1.00 0.00 H new ATOM 2364 N ARG B 89 2.592 9.964 -3.440 1.00 0.00 N ATOM 2365 CA ARG B 89 2.346 9.059 -2.322 1.00 0.00 C ATOM 2366 C ARG B 89 1.060 8.293 -2.560 1.00 0.00 C ATOM 2367 O ARG B 89 1.007 7.076 -2.395 1.00 0.00 O ATOM 2368 CB ARG B 89 2.235 9.839 -1.015 1.00 0.00 C ATOM 2369 CG ARG B 89 1.599 9.060 0.128 1.00 0.00 C ATOM 2370 CD ARG B 89 1.010 9.991 1.176 1.00 0.00 C ATOM 2371 NE ARG B 89 -0.437 9.820 1.317 1.00 0.00 N ATOM 2372 CZ ARG B 89 -1.336 10.386 0.508 1.00 0.00 C ATOM 2373 NH1 ARG B 89 -0.940 11.200 -0.457 1.00 0.00 N ATOM 2374 NH2 ARG B 89 -2.632 10.163 0.680 1.00 0.00 N ATOM 0 H ARG B 89 2.524 10.954 -3.203 1.00 0.00 H new ATOM 0 HA ARG B 89 3.182 8.364 -2.248 1.00 0.00 H new ATOM 0 HB2 ARG B 89 3.232 10.159 -0.711 1.00 0.00 H new ATOM 0 HB3 ARG B 89 1.651 10.742 -1.193 1.00 0.00 H new ATOM 0 HG2 ARG B 89 0.817 8.410 -0.264 1.00 0.00 H new ATOM 0 HG3 ARG B 89 2.346 8.416 0.591 1.00 0.00 H new ATOM 0 HD2 ARG B 89 1.491 9.805 2.136 1.00 0.00 H new ATOM 0 HD3 ARG B 89 1.227 11.024 0.905 1.00 0.00 H new ATOM 0 HE ARG B 89 -0.779 9.234 2.078 1.00 0.00 H new ATOM 0 HH11 ARG B 89 0.053 11.396 -0.584 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -1.628 11.632 -1.074 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -2.949 9.555 1.435 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -3.312 10.600 0.057 1.00 0.00 H new ATOM 2388 N ASP B 90 0.026 9.028 -2.947 1.00 0.00 N ATOM 2389 CA ASP B 90 -1.277 8.450 -3.231 1.00 0.00 C ATOM 2390 C ASP B 90 -1.182 7.407 -4.317 1.00 0.00 C ATOM 2391 O ASP B 90 -1.865 6.395 -4.274 1.00 0.00 O ATOM 2392 CB ASP B 90 -2.271 9.541 -3.636 1.00 0.00 C ATOM 2393 CG ASP B 90 -3.032 10.069 -2.448 1.00 0.00 C ATOM 2394 OD1 ASP B 90 -3.716 9.257 -1.785 1.00 0.00 O ATOM 2395 OD2 ASP B 90 -2.921 11.275 -2.148 1.00 0.00 O ATOM 0 H ASP B 90 0.068 10.039 -3.072 1.00 0.00 H new ATOM 0 HA ASP B 90 -1.634 7.967 -2.322 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -1.737 10.359 -4.119 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -2.972 9.141 -4.369 1.00 0.00 H new ATOM 2400 N ALA B 91 -0.290 7.645 -5.249 1.00 0.00 N ATOM 2401 CA ALA B 91 -0.087 6.734 -6.373 1.00 0.00 C ATOM 2402 C ALA B 91 0.531 5.446 -5.895 1.00 0.00 C ATOM 2403 O ALA B 91 0.066 4.351 -6.209 1.00 0.00 O ATOM 2404 CB ALA B 91 0.821 7.370 -7.403 1.00 0.00 C ATOM 0 H ALA B 91 0.316 8.466 -5.259 1.00 0.00 H new ATOM 0 HA ALA B 91 -1.056 6.524 -6.825 1.00 0.00 H new ATOM 0 HB1 ALA B 91 0.965 6.682 -8.236 1.00 0.00 H new ATOM 0 HB2 ALA B 91 0.368 8.292 -7.768 1.00 0.00 H new ATOM 0 HB3 ALA B 91 1.785 7.596 -6.948 1.00 0.00 H new ATOM 2410 N VAL B 92 1.601 5.603 -5.147 1.00 0.00 N ATOM 2411 CA VAL B 92 2.311 4.490 -4.572 1.00 0.00 C ATOM 2412 C VAL B 92 1.351 3.684 -3.720 1.00 0.00 C ATOM 2413 O VAL B 92 1.274 2.467 -3.820 1.00 0.00 O ATOM 2414 CB VAL B 92 3.466 5.025 -3.716 1.00 0.00 C ATOM 2415 CG1 VAL B 92 3.852 4.056 -2.623 1.00 0.00 C ATOM 2416 CG2 VAL B 92 4.662 5.343 -4.579 1.00 0.00 C ATOM 0 H VAL B 92 2.002 6.513 -4.921 1.00 0.00 H new ATOM 0 HA VAL B 92 2.717 3.849 -5.355 1.00 0.00 H new ATOM 0 HB VAL B 92 3.119 5.941 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL B 92 4.673 4.473 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL B 92 2.996 3.883 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL B 92 4.166 3.112 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL B 92 5.471 5.721 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL B 92 4.991 4.439 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL B 92 4.389 6.099 -5.315 1.00 0.00 H new ATOM 2426 N LYS B 93 0.592 4.413 -2.924 1.00 0.00 N ATOM 2427 CA LYS B 93 -0.407 3.857 -2.033 1.00 0.00 C ATOM 2428 C LYS B 93 -1.467 3.117 -2.817 1.00 0.00 C ATOM 2429 O LYS B 93 -1.908 2.047 -2.410 1.00 0.00 O ATOM 2430 CB LYS B 93 -1.042 5.007 -1.271 1.00 0.00 C ATOM 2431 CG LYS B 93 -2.270 4.634 -0.483 1.00 0.00 C ATOM 2432 CD LYS B 93 -3.067 5.872 -0.150 1.00 0.00 C ATOM 2433 CE LYS B 93 -4.271 6.026 -1.053 1.00 0.00 C ATOM 2434 NZ LYS B 93 -3.940 6.655 -2.362 1.00 0.00 N ATOM 0 H LYS B 93 0.655 5.430 -2.878 1.00 0.00 H new ATOM 0 HA LYS B 93 0.060 3.150 -1.347 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -0.302 5.426 -0.589 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -1.305 5.793 -1.979 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -2.884 3.940 -1.058 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -1.981 4.120 0.434 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -3.395 5.824 0.888 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -2.429 6.751 -0.242 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -4.714 5.046 -1.229 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -5.024 6.630 -0.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -4.642 6.366 -3.073 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -3.953 7.690 -2.263 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -2.994 6.348 -2.665 1.00 0.00 H new ATOM 2448 N ASP B 94 -1.882 3.700 -3.930 1.00 0.00 N ATOM 2449 CA ASP B 94 -2.880 3.076 -4.772 1.00 0.00 C ATOM 2450 C ASP B 94 -2.388 1.717 -5.232 1.00 0.00 C ATOM 2451 O ASP B 94 -3.043 0.699 -5.026 1.00 0.00 O ATOM 2452 CB ASP B 94 -3.223 3.947 -5.977 1.00 0.00 C ATOM 2453 CG ASP B 94 -4.399 4.869 -5.706 1.00 0.00 C ATOM 2454 OD1 ASP B 94 -4.536 5.353 -4.556 1.00 0.00 O ATOM 2455 OD2 ASP B 94 -5.197 5.096 -6.635 1.00 0.00 O ATOM 0 H ASP B 94 -1.543 4.601 -4.267 1.00 0.00 H new ATOM 0 HA ASP B 94 -3.789 2.954 -4.183 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -2.353 4.543 -6.251 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -3.454 3.309 -6.830 1.00 0.00 H new ATOM 2460 N LEU B 95 -1.206 1.709 -5.830 1.00 0.00 N ATOM 2461 CA LEU B 95 -0.603 0.476 -6.305 1.00 0.00 C ATOM 2462 C LEU B 95 -0.362 -0.474 -5.138 1.00 0.00 C ATOM 2463 O LEU B 95 -0.585 -1.671 -5.245 1.00 0.00 O ATOM 2464 CB LEU B 95 0.707 0.777 -7.041 1.00 0.00 C ATOM 2465 CG LEU B 95 0.690 0.504 -8.553 1.00 0.00 C ATOM 2466 CD1 LEU B 95 -0.699 0.731 -9.134 1.00 0.00 C ATOM 2467 CD2 LEU B 95 1.703 1.394 -9.257 1.00 0.00 C ATOM 0 H LEU B 95 -0.646 2.545 -5.997 1.00 0.00 H new ATOM 0 HA LEU B 95 -1.286 -0.006 -7.005 1.00 0.00 H new ATOM 0 HB2 LEU B 95 0.962 1.825 -6.881 1.00 0.00 H new ATOM 0 HB3 LEU B 95 1.502 0.183 -6.590 1.00 0.00 H new ATOM 0 HG LEU B 95 0.959 -0.540 -8.713 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -0.682 0.531 -10.205 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -1.410 0.061 -8.650 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -1.001 1.764 -8.963 1.00 0.00 H new ATOM 0 HD21 LEU B 95 1.682 1.192 -10.328 1.00 0.00 H new ATOM 0 HD22 LEU B 95 1.453 2.440 -9.080 1.00 0.00 H new ATOM 0 HD23 LEU B 95 2.700 1.188 -8.868 1.00 0.00 H new ATOM 2479 N LEU B 96 0.042 0.087 -4.014 1.00 0.00 N ATOM 2480 CA LEU B 96 0.326 -0.685 -2.814 1.00 0.00 C ATOM 2481 C LEU B 96 -0.919 -1.391 -2.289 1.00 0.00 C ATOM 2482 O LEU B 96 -0.963 -2.617 -2.227 1.00 0.00 O ATOM 2483 CB LEU B 96 0.910 0.237 -1.750 1.00 0.00 C ATOM 2484 CG LEU B 96 2.405 0.476 -1.893 1.00 0.00 C ATOM 2485 CD1 LEU B 96 2.885 1.480 -0.863 1.00 0.00 C ATOM 2486 CD2 LEU B 96 3.166 -0.835 -1.779 1.00 0.00 C ATOM 0 H LEU B 96 0.183 1.091 -3.905 1.00 0.00 H new ATOM 0 HA LEU B 96 1.050 -1.460 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU B 96 0.393 1.196 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU B 96 0.713 -0.189 -0.766 1.00 0.00 H new ATOM 0 HG LEU B 96 2.598 0.893 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU B 96 3.957 1.638 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU B 96 2.361 2.425 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU B 96 2.682 1.099 0.138 1.00 0.00 H new ATOM 0 HD21 LEU B 96 4.234 -0.646 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU B 96 2.971 -1.286 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU B 96 2.839 -1.515 -2.566 1.00 0.00 H new ATOM 2498 N GLN B 97 -1.927 -0.610 -1.932 1.00 0.00 N ATOM 2499 CA GLN B 97 -3.178 -1.137 -1.408 1.00 0.00 C ATOM 2500 C GLN B 97 -3.835 -2.140 -2.364 1.00 0.00 C ATOM 2501 O GLN B 97 -4.332 -3.176 -1.931 1.00 0.00 O ATOM 2502 CB GLN B 97 -4.117 0.023 -1.074 1.00 0.00 C ATOM 2503 CG GLN B 97 -5.591 -0.263 -1.247 1.00 0.00 C ATOM 2504 CD GLN B 97 -6.429 0.990 -1.102 1.00 0.00 C ATOM 2505 OE1 GLN B 97 -6.869 1.341 -0.008 1.00 0.00 O ATOM 2506 NE2 GLN B 97 -6.640 1.685 -2.205 1.00 0.00 N ATOM 0 H GLN B 97 -1.901 0.408 -1.997 1.00 0.00 H new ATOM 0 HA GLN B 97 -2.960 -1.693 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -3.942 0.324 -0.041 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -3.853 0.874 -1.703 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -5.763 -0.703 -2.229 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -5.907 -0.999 -0.508 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -6.258 1.360 -3.093 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.185 2.546 -2.169 1.00 0.00 H new ATOM 2515 N GLN B 98 -3.803 -1.846 -3.659 1.00 0.00 N ATOM 2516 CA GLN B 98 -4.421 -2.720 -4.660 1.00 0.00 C ATOM 2517 C GLN B 98 -3.610 -3.992 -4.923 1.00 0.00 C ATOM 2518 O GLN B 98 -4.182 -5.049 -5.190 1.00 0.00 O ATOM 2519 CB GLN B 98 -4.616 -1.972 -5.980 1.00 0.00 C ATOM 2520 CG GLN B 98 -5.947 -1.243 -6.074 1.00 0.00 C ATOM 2521 CD GLN B 98 -5.852 0.234 -5.746 1.00 0.00 C ATOM 2522 OE1 GLN B 98 -5.973 0.634 -4.593 1.00 0.00 O ATOM 2523 NE2 GLN B 98 -5.649 1.058 -6.765 1.00 0.00 N ATOM 0 H GLN B 98 -3.358 -1.013 -4.044 1.00 0.00 H new ATOM 0 HA GLN B 98 -5.385 -3.018 -4.248 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -3.807 -1.252 -6.103 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -4.540 -2.681 -6.805 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -6.345 -1.358 -7.082 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -6.658 -1.713 -5.395 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -5.553 0.686 -7.710 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -5.588 2.063 -6.604 1.00 0.00 H new ATOM 2532 N LEU B 99 -2.290 -3.899 -4.853 1.00 0.00 N ATOM 2533 CA LEU B 99 -1.434 -5.053 -5.126 1.00 0.00 C ATOM 2534 C LEU B 99 -1.183 -5.895 -3.884 1.00 0.00 C ATOM 2535 O LEU B 99 -0.775 -7.054 -3.989 1.00 0.00 O ATOM 2536 CB LEU B 99 -0.101 -4.599 -5.712 1.00 0.00 C ATOM 2537 CG LEU B 99 -0.155 -4.147 -7.169 1.00 0.00 C ATOM 2538 CD1 LEU B 99 0.944 -3.139 -7.444 1.00 0.00 C ATOM 2539 CD2 LEU B 99 -0.029 -5.343 -8.100 1.00 0.00 C ATOM 0 H LEU B 99 -1.788 -3.045 -4.612 1.00 0.00 H new ATOM 0 HA LEU B 99 -1.963 -5.675 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU B 99 0.283 -3.778 -5.107 1.00 0.00 H new ATOM 0 HB3 LEU B 99 0.613 -5.418 -5.628 1.00 0.00 H new ATOM 0 HG LEU B 99 -1.118 -3.670 -7.353 1.00 0.00 H new ATOM 0 HD11 LEU B 99 0.896 -2.824 -8.486 1.00 0.00 H new ATOM 0 HD12 LEU B 99 0.813 -2.272 -6.796 1.00 0.00 H new ATOM 0 HD13 LEU B 99 1.914 -3.596 -7.248 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -0.069 -5.004 -9.135 1.00 0.00 H new ATOM 0 HD22 LEU B 99 0.921 -5.846 -7.920 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -0.848 -6.037 -7.913 1.00 0.00 H new ATOM 2551 N LEU B 100 -1.418 -5.313 -2.719 1.00 0.00 N ATOM 2552 CA LEU B 100 -1.217 -6.013 -1.454 1.00 0.00 C ATOM 2553 C LEU B 100 -1.940 -7.356 -1.390 1.00 0.00 C ATOM 2554 O LEU B 100 -1.288 -8.372 -1.179 1.00 0.00 O ATOM 2555 CB LEU B 100 -1.658 -5.159 -0.276 1.00 0.00 C ATOM 2556 CG LEU B 100 -0.585 -4.281 0.344 1.00 0.00 C ATOM 2557 CD1 LEU B 100 -1.216 -3.384 1.394 1.00 0.00 C ATOM 2558 CD2 LEU B 100 0.512 -5.147 0.950 1.00 0.00 C ATOM 0 H LEU B 100 -1.750 -4.354 -2.620 1.00 0.00 H new ATOM 0 HA LEU B 100 -0.146 -6.205 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.479 -4.521 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -2.054 -5.817 0.497 1.00 0.00 H new ATOM 0 HG LEU B 100 -0.132 -3.654 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -0.449 -2.752 1.841 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.976 -2.757 0.928 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -1.677 -3.998 2.168 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.277 -4.509 1.392 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.085 -5.789 1.721 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.960 -5.764 0.171 1.00 0.00 H new ATOM 2570 N PRO B 101 -3.279 -7.401 -1.607 1.00 0.00 N ATOM 2571 CA PRO B 101 -4.063 -8.649 -1.519 1.00 0.00 C ATOM 2572 C PRO B 101 -3.630 -9.740 -2.503 1.00 0.00 C ATOM 2573 O PRO B 101 -4.324 -10.740 -2.669 1.00 0.00 O ATOM 2574 CB PRO B 101 -5.497 -8.202 -1.825 1.00 0.00 C ATOM 2575 CG PRO B 101 -5.348 -6.913 -2.548 1.00 0.00 C ATOM 2576 CD PRO B 101 -4.143 -6.257 -1.951 1.00 0.00 C ATOM 0 HA PRO B 101 -3.931 -9.110 -0.540 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -6.019 -8.939 -2.435 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -6.076 -8.077 -0.910 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -5.217 -7.076 -3.618 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -6.234 -6.290 -2.427 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -3.658 -5.583 -2.658 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.399 -5.666 -1.072 1.00 0.00 H new ATOM 2584 N LYS B 102 -2.520 -9.535 -3.189 1.00 0.00 N ATOM 2585 CA LYS B 102 -2.010 -10.537 -4.102 1.00 0.00 C ATOM 2586 C LYS B 102 -0.928 -11.353 -3.405 1.00 0.00 C ATOM 2587 O LYS B 102 -0.715 -12.521 -3.720 1.00 0.00 O ATOM 2588 CB LYS B 102 -1.450 -9.898 -5.370 1.00 0.00 C ATOM 2589 CG LYS B 102 -1.353 -10.874 -6.531 1.00 0.00 C ATOM 2590 CD LYS B 102 -0.133 -10.600 -7.403 1.00 0.00 C ATOM 2591 CE LYS B 102 -0.142 -9.189 -7.978 1.00 0.00 C ATOM 2592 NZ LYS B 102 1.205 -8.775 -8.466 1.00 0.00 N ATOM 0 H LYS B 102 -1.957 -8.686 -3.130 1.00 0.00 H new ATOM 0 HA LYS B 102 -2.833 -11.190 -4.394 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -2.084 -9.060 -5.659 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -0.461 -9.492 -5.160 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -1.303 -11.892 -6.146 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -2.256 -10.807 -7.138 1.00 0.00 H new ATOM 0 HD2 LYS B 102 0.773 -10.745 -6.814 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -0.102 -11.323 -8.218 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -0.857 -9.137 -8.799 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -0.482 -8.489 -7.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 1.178 -7.776 -8.755 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 1.903 -8.896 -7.704 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 1.475 -9.363 -9.280 1.00 0.00 H new ATOM 2606 N PHE B 103 -0.247 -10.719 -2.453 1.00 0.00 N ATOM 2607 CA PHE B 103 0.821 -11.370 -1.705 1.00 0.00 C ATOM 2608 C PHE B 103 0.528 -11.343 -0.213 1.00 0.00 C ATOM 2609 O PHE B 103 1.120 -12.093 0.561 1.00 0.00 O ATOM 2610 CB PHE B 103 2.161 -10.689 -1.992 1.00 0.00 C ATOM 2611 CG PHE B 103 2.498 -10.625 -3.454 1.00 0.00 C ATOM 2612 CD1 PHE B 103 2.900 -11.761 -4.136 1.00 0.00 C ATOM 2613 CD2 PHE B 103 2.404 -9.429 -4.145 1.00 0.00 C ATOM 2614 CE1 PHE B 103 3.203 -11.705 -5.483 1.00 0.00 C ATOM 2615 CE2 PHE B 103 2.705 -9.367 -5.491 1.00 0.00 C ATOM 2616 CZ PHE B 103 3.105 -10.507 -6.161 1.00 0.00 C ATOM 0 H PHE B 103 -0.419 -9.751 -2.182 1.00 0.00 H new ATOM 0 HA PHE B 103 0.878 -12.410 -2.026 1.00 0.00 H new ATOM 0 HB2 PHE B 103 2.140 -9.677 -1.587 1.00 0.00 H new ATOM 0 HB3 PHE B 103 2.952 -11.225 -1.468 1.00 0.00 H new ATOM 0 HD1 PHE B 103 2.978 -12.701 -3.610 1.00 0.00 H new ATOM 0 HD2 PHE B 103 2.092 -8.535 -3.626 1.00 0.00 H new ATOM 0 HE1 PHE B 103 3.516 -12.597 -6.004 1.00 0.00 H new ATOM 0 HE2 PHE B 103 2.628 -8.428 -6.020 1.00 0.00 H new ATOM 0 HZ PHE B 103 3.341 -10.461 -7.214 1.00 0.00 H new ATOM 2626 N LYS B 104 -0.391 -10.468 0.167 1.00 0.00 N ATOM 2627 CA LYS B 104 -0.791 -10.290 1.550 1.00 0.00 C ATOM 2628 C LYS B 104 -1.210 -11.609 2.187 1.00 0.00 C ATOM 2629 O LYS B 104 -2.069 -12.325 1.671 1.00 0.00 O ATOM 2630 CB LYS B 104 -1.943 -9.283 1.618 1.00 0.00 C ATOM 2631 CG LYS B 104 -2.123 -8.627 2.974 1.00 0.00 C ATOM 2632 CD LYS B 104 -3.058 -9.432 3.855 1.00 0.00 C ATOM 2633 CE LYS B 104 -3.184 -8.830 5.243 1.00 0.00 C ATOM 2634 NZ LYS B 104 -3.899 -7.527 5.221 1.00 0.00 N ATOM 0 H LYS B 104 -0.883 -9.857 -0.484 1.00 0.00 H new ATOM 0 HA LYS B 104 0.065 -9.913 2.109 1.00 0.00 H new ATOM 0 HB2 LYS B 104 -1.775 -8.506 0.872 1.00 0.00 H new ATOM 0 HB3 LYS B 104 -2.869 -9.790 1.348 1.00 0.00 H new ATOM 0 HG2 LYS B 104 -1.154 -8.527 3.464 1.00 0.00 H new ATOM 0 HG3 LYS B 104 -2.519 -7.620 2.844 1.00 0.00 H new ATOM 0 HD2 LYS B 104 -4.043 -9.482 3.390 1.00 0.00 H new ATOM 0 HD3 LYS B 104 -2.691 -10.455 3.935 1.00 0.00 H new ATOM 0 HE2 LYS B 104 -3.716 -9.525 5.893 1.00 0.00 H new ATOM 0 HE3 LYS B 104 -2.191 -8.692 5.670 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 -4.376 -7.377 6.133 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 -3.217 -6.759 5.057 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 -4.605 -7.531 4.457 1.00 0.00 H new