USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 557 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 451 HIS :FLIP no HE2:sc= -0.475 F(o=-2.9,f=-0.21) USER MOD Set 1.2: A 479 SER OG : rot 44:sc= 0.267 USER MOD Set 2.1: A 466 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 469 ASN :FLIP amide:sc= -0.0547 F(o=-2!,f=-0.055) USER MOD Single : A 417 MET CE :methyl -139:sc= -0.255 (180deg=-1.38!) USER MOD Single : A 420 MET CE :methyl -133:sc= -0.864 (180deg=-2.21!) USER MOD Single : A 423 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 425 LYS NZ :NH3+ -164:sc= -0.0308 (180deg=-0.439) USER MOD Single : A 429 LYS NZ :NH3+ -177:sc= -0.083 (180deg=-0.137) USER MOD Single : A 433 GLN : amide:sc= -0.944 K(o=-0.94,f=-5.6!) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 442 TYR OH : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot 72:sc= 0.719 USER MOD Single : A 445 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.18) USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 452 CYS SG : rot -93:sc= -0.599! USER MOD Single : A 456 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0154) USER MOD Single : A 458 ASN :FLIP amide:sc= 0.21! F(o=-1.4,f=0.21!) USER MOD Single : A 459 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-1.9!) USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 465 SER OG : rot 8:sc= 0.978 USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 473 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 478 SER OG : rot 100:sc= -0.791 USER MOD Single : A 480 LYS NZ :NH3+ 160:sc= -1.33 (180deg=-1.96) USER MOD Single : A 481 SER OG : rot 180:sc= 0 USER MOD Single : A 484 HIS : no HD1:sc= -0.0148 K(o=-0.015,f=-1.2) USER MOD Single : A 485 HIS :FLIP no HD1:sc= -0.816 F(o=-1.3,f=-0.82) USER MOD Single : A 486 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-12!) USER MOD Single : A 487 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 488 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 489 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 417 9.787 -7.886 12.241 1.00 0.00 N ATOM 2 CA MET A 417 10.353 -6.823 11.365 1.00 0.00 C ATOM 3 C MET A 417 9.275 -6.350 10.385 1.00 0.00 C ATOM 4 O MET A 417 9.308 -6.646 9.205 1.00 0.00 O ATOM 5 CB MET A 417 11.558 -7.379 10.603 1.00 0.00 C ATOM 6 CG MET A 417 12.233 -6.253 9.819 1.00 0.00 C ATOM 7 SD MET A 417 13.627 -6.923 8.878 1.00 0.00 S ATOM 8 CE MET A 417 14.648 -7.418 10.290 1.00 0.00 C ATOM 0 HA MET A 417 10.679 -5.977 11.970 1.00 0.00 H new ATOM 0 HB2 MET A 417 12.267 -7.826 11.300 1.00 0.00 H new ATOM 0 HB3 MET A 417 11.238 -8.168 9.923 1.00 0.00 H new ATOM 0 HG2 MET A 417 11.516 -5.785 9.144 1.00 0.00 H new ATOM 0 HG3 MET A 417 12.581 -5.478 10.502 1.00 0.00 H new ATOM 0 HE1 MET A 417 15.691 -7.172 10.089 1.00 0.00 H new ATOM 0 HE2 MET A 417 14.316 -6.888 11.183 1.00 0.00 H new ATOM 0 HE3 MET A 417 14.553 -8.492 10.449 1.00 0.00 H new ATOM 18 N GLU A 418 8.314 -5.624 10.887 1.00 0.00 N ATOM 19 CA GLU A 418 7.208 -5.120 10.024 1.00 0.00 C ATOM 20 C GLU A 418 7.690 -3.939 9.187 1.00 0.00 C ATOM 21 O GLU A 418 8.752 -3.390 9.418 1.00 0.00 O ATOM 22 CB GLU A 418 6.040 -4.671 10.906 1.00 0.00 C ATOM 23 CG GLU A 418 5.408 -5.893 11.570 1.00 0.00 C ATOM 24 CD GLU A 418 4.288 -5.449 12.515 1.00 0.00 C ATOM 25 OE1 GLU A 418 4.058 -4.256 12.612 1.00 0.00 O ATOM 26 OE2 GLU A 418 3.678 -6.314 13.124 1.00 0.00 O ATOM 0 H GLU A 418 8.247 -5.356 11.869 1.00 0.00 H new ATOM 0 HA GLU A 418 6.884 -5.920 9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 418 6.391 -3.971 11.665 1.00 0.00 H new ATOM 0 HB3 GLU A 418 5.298 -4.145 10.306 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.010 -6.566 10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 418 6.164 -6.449 12.124 1.00 0.00 H new ATOM 33 N VAL A 419 6.908 -3.550 8.213 1.00 0.00 N ATOM 34 CA VAL A 419 7.285 -2.405 7.331 1.00 0.00 C ATOM 35 C VAL A 419 6.294 -1.262 7.528 1.00 0.00 C ATOM 36 O VAL A 419 5.091 -1.452 7.525 1.00 0.00 O ATOM 37 CB VAL A 419 7.272 -2.857 5.871 1.00 0.00 C ATOM 38 CG1 VAL A 419 8.457 -3.790 5.629 1.00 0.00 C ATOM 39 CG2 VAL A 419 5.968 -3.601 5.563 1.00 0.00 C ATOM 0 H VAL A 419 6.012 -3.983 7.989 1.00 0.00 H new ATOM 0 HA VAL A 419 8.286 -2.061 7.590 1.00 0.00 H new ATOM 0 HB VAL A 419 7.345 -1.985 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 419 8.456 -4.118 4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 419 9.386 -3.261 5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 419 8.376 -4.658 6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 419 5.968 -3.919 4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 419 5.887 -4.475 6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 419 5.121 -2.939 5.740 1.00 0.00 H new ATOM 49 N MET A 420 6.803 -0.076 7.719 1.00 0.00 N ATOM 50 CA MET A 420 5.922 1.104 7.940 1.00 0.00 C ATOM 51 C MET A 420 5.716 1.867 6.633 1.00 0.00 C ATOM 52 O MET A 420 6.648 2.146 5.902 1.00 0.00 O ATOM 53 CB MET A 420 6.570 2.028 8.970 1.00 0.00 C ATOM 54 CG MET A 420 5.596 3.153 9.327 1.00 0.00 C ATOM 55 SD MET A 420 6.383 4.290 10.493 1.00 0.00 S ATOM 56 CE MET A 420 6.561 3.127 11.866 1.00 0.00 C ATOM 0 H MET A 420 7.802 0.127 7.731 1.00 0.00 H new ATOM 0 HA MET A 420 4.953 0.761 8.303 1.00 0.00 H new ATOM 0 HB2 MET A 420 6.836 1.464 9.864 1.00 0.00 H new ATOM 0 HB3 MET A 420 7.494 2.445 8.570 1.00 0.00 H new ATOM 0 HG2 MET A 420 5.298 3.689 8.426 1.00 0.00 H new ATOM 0 HG3 MET A 420 4.689 2.737 9.765 1.00 0.00 H new ATOM 0 HE1 MET A 420 6.219 3.598 12.788 1.00 0.00 H new ATOM 0 HE2 MET A 420 5.963 2.237 11.669 1.00 0.00 H new ATOM 0 HE3 MET A 420 7.608 2.844 11.970 1.00 0.00 H new ATOM 66 N VAL A 421 4.489 2.214 6.353 1.00 0.00 N ATOM 67 CA VAL A 421 4.163 2.976 5.111 1.00 0.00 C ATOM 68 C VAL A 421 3.259 4.150 5.479 1.00 0.00 C ATOM 69 O VAL A 421 2.681 4.184 6.554 1.00 0.00 O ATOM 70 CB VAL A 421 3.450 2.067 4.109 1.00 0.00 C ATOM 71 CG1 VAL A 421 4.398 0.947 3.684 1.00 0.00 C ATOM 72 CG2 VAL A 421 2.198 1.458 4.749 1.00 0.00 C ATOM 0 H VAL A 421 3.685 1.998 6.942 1.00 0.00 H new ATOM 0 HA VAL A 421 5.082 3.343 4.654 1.00 0.00 H new ATOM 0 HB VAL A 421 3.155 2.654 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 421 3.895 0.296 2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 421 5.285 1.378 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 421 4.692 0.367 4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 421 1.698 0.812 4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 421 2.484 0.872 5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.520 2.256 5.053 1.00 0.00 H new ATOM 82 N PHE A 422 3.143 5.115 4.603 1.00 0.00 N ATOM 83 CA PHE A 422 2.292 6.311 4.891 1.00 0.00 C ATOM 84 C PHE A 422 1.123 6.375 3.918 1.00 0.00 C ATOM 85 O PHE A 422 1.244 6.069 2.746 1.00 0.00 O ATOM 86 CB PHE A 422 3.132 7.576 4.736 1.00 0.00 C ATOM 87 CG PHE A 422 4.282 7.539 5.709 1.00 0.00 C ATOM 88 CD1 PHE A 422 4.116 8.037 7.005 1.00 0.00 C ATOM 89 CD2 PHE A 422 5.516 7.007 5.315 1.00 0.00 C ATOM 90 CE1 PHE A 422 5.182 8.005 7.910 1.00 0.00 C ATOM 91 CE2 PHE A 422 6.583 6.974 6.220 1.00 0.00 C ATOM 92 CZ PHE A 422 6.416 7.473 7.519 1.00 0.00 C ATOM 0 H PHE A 422 3.605 5.126 3.693 1.00 0.00 H new ATOM 0 HA PHE A 422 1.909 6.233 5.909 1.00 0.00 H new ATOM 0 HB2 PHE A 422 3.508 7.653 3.716 1.00 0.00 H new ATOM 0 HB3 PHE A 422 2.517 8.458 4.917 1.00 0.00 H new ATOM 0 HD1 PHE A 422 3.164 8.447 7.308 1.00 0.00 H new ATOM 0 HD2 PHE A 422 5.644 6.623 4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 422 5.053 8.391 8.910 1.00 0.00 H new ATOM 0 HE2 PHE A 422 7.535 6.564 5.917 1.00 0.00 H new ATOM 0 HZ PHE A 422 7.239 7.447 8.218 1.00 0.00 H new ATOM 102 N THR A 423 -0.012 6.785 4.411 1.00 0.00 N ATOM 103 CA THR A 423 -1.230 6.898 3.559 1.00 0.00 C ATOM 104 C THR A 423 -1.418 8.373 3.176 1.00 0.00 C ATOM 105 O THR A 423 -0.669 9.226 3.614 1.00 0.00 O ATOM 106 CB THR A 423 -2.460 6.389 4.343 1.00 0.00 C ATOM 107 OG1 THR A 423 -3.215 7.496 4.822 1.00 0.00 O ATOM 108 CG2 THR A 423 -2.016 5.532 5.534 1.00 0.00 C ATOM 0 H THR A 423 -0.150 7.051 5.386 1.00 0.00 H new ATOM 0 HA THR A 423 -1.120 6.295 2.658 1.00 0.00 H new ATOM 0 HB THR A 423 -3.073 5.784 3.674 1.00 0.00 H new ATOM 0 HG1 THR A 423 -3.995 7.170 5.317 1.00 0.00 H new ATOM 0 HG21 THR A 423 -2.894 5.181 6.077 1.00 0.00 H new ATOM 0 HG22 THR A 423 -1.445 4.676 5.174 1.00 0.00 H new ATOM 0 HG23 THR A 423 -1.393 6.129 6.200 1.00 0.00 H new ATOM 116 N PRO A 424 -2.403 8.677 2.369 1.00 0.00 N ATOM 117 CA PRO A 424 -2.669 10.082 1.936 1.00 0.00 C ATOM 118 C PRO A 424 -2.922 11.002 3.140 1.00 0.00 C ATOM 119 O PRO A 424 -2.637 12.185 3.110 1.00 0.00 O ATOM 120 CB PRO A 424 -3.930 9.975 1.057 1.00 0.00 C ATOM 121 CG PRO A 424 -4.022 8.535 0.657 1.00 0.00 C ATOM 122 CD PRO A 424 -3.372 7.736 1.788 1.00 0.00 C ATOM 0 HA PRO A 424 -1.821 10.515 1.406 1.00 0.00 H new ATOM 0 HB2 PRO A 424 -4.818 10.287 1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 424 -3.854 10.621 0.182 1.00 0.00 H new ATOM 0 HG2 PRO A 424 -5.061 8.236 0.516 1.00 0.00 H new ATOM 0 HG3 PRO A 424 -3.509 8.360 -0.288 1.00 0.00 H new ATOM 0 HD2 PRO A 424 -4.108 7.414 2.525 1.00 0.00 H new ATOM 0 HD3 PRO A 424 -2.882 6.838 1.413 1.00 0.00 H new ATOM 130 N LYS A 425 -3.460 10.454 4.197 1.00 0.00 N ATOM 131 CA LYS A 425 -3.743 11.271 5.414 1.00 0.00 C ATOM 132 C LYS A 425 -2.472 11.362 6.266 1.00 0.00 C ATOM 133 O LYS A 425 -2.426 12.051 7.268 1.00 0.00 O ATOM 134 CB LYS A 425 -4.867 10.601 6.217 1.00 0.00 C ATOM 135 CG LYS A 425 -6.172 10.643 5.414 1.00 0.00 C ATOM 136 CD LYS A 425 -7.286 9.944 6.203 1.00 0.00 C ATOM 137 CE LYS A 425 -8.564 9.900 5.362 1.00 0.00 C ATOM 138 NZ LYS A 425 -9.003 11.288 5.043 1.00 0.00 N ATOM 0 H LYS A 425 -3.717 9.470 4.270 1.00 0.00 H new ATOM 0 HA LYS A 425 -4.054 12.275 5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -4.600 9.568 6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -4.999 11.111 7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -6.451 11.677 5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -6.033 10.153 4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -6.978 8.932 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -7.472 10.475 7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -8.386 9.344 4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -9.350 9.375 5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -9.990 11.273 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -8.929 11.880 5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -8.397 11.680 4.295 1.00 0.00 H new ATOM 152 N GLY A 426 -1.444 10.665 5.863 1.00 0.00 N ATOM 153 CA GLY A 426 -0.161 10.692 6.629 1.00 0.00 C ATOM 154 C GLY A 426 -0.244 9.729 7.815 1.00 0.00 C ATOM 155 O GLY A 426 0.575 9.758 8.716 1.00 0.00 O ATOM 0 H GLY A 426 -1.436 10.074 5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 426 0.667 10.411 5.978 1.00 0.00 H new ATOM 0 HA3 GLY A 426 0.040 11.703 6.983 1.00 0.00 H new ATOM 159 N GLU A 427 -1.231 8.879 7.819 1.00 0.00 N ATOM 160 CA GLU A 427 -1.388 7.907 8.941 1.00 0.00 C ATOM 161 C GLU A 427 -0.306 6.832 8.872 1.00 0.00 C ATOM 162 O GLU A 427 0.275 6.574 7.833 1.00 0.00 O ATOM 163 CB GLU A 427 -2.765 7.252 8.859 1.00 0.00 C ATOM 164 CG GLU A 427 -3.837 8.288 9.198 1.00 0.00 C ATOM 165 CD GLU A 427 -5.225 7.669 9.019 1.00 0.00 C ATOM 166 OE1 GLU A 427 -5.292 6.503 8.672 1.00 0.00 O ATOM 167 OE2 GLU A 427 -6.197 8.375 9.236 1.00 0.00 O ATOM 0 H GLU A 427 -1.941 8.814 7.090 1.00 0.00 H new ATOM 0 HA GLU A 427 -1.290 8.442 9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -2.932 6.853 7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.823 6.412 9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -3.711 8.633 10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 427 -3.731 9.160 8.553 1.00 0.00 H new ATOM 174 N ILE A 428 -0.032 6.205 9.984 1.00 0.00 N ATOM 175 CA ILE A 428 1.013 5.143 10.020 1.00 0.00 C ATOM 176 C ILE A 428 0.354 3.769 9.960 1.00 0.00 C ATOM 177 O ILE A 428 -0.490 3.435 10.772 1.00 0.00 O ATOM 178 CB ILE A 428 1.813 5.263 11.317 1.00 0.00 C ATOM 179 CG1 ILE A 428 2.193 6.731 11.556 1.00 0.00 C ATOM 180 CG2 ILE A 428 3.081 4.414 11.212 1.00 0.00 C ATOM 181 CD1 ILE A 428 2.866 7.308 10.306 1.00 0.00 C ATOM 0 H ILE A 428 -0.492 6.385 10.877 1.00 0.00 H new ATOM 0 HA ILE A 428 1.678 5.263 9.164 1.00 0.00 H new ATOM 0 HB ILE A 428 1.207 4.909 12.151 1.00 0.00 H new ATOM 0 HG12 ILE A 428 1.303 7.311 11.800 1.00 0.00 H new ATOM 0 HG13 ILE A 428 2.867 6.807 12.410 1.00 0.00 H new ATOM 0 HG21 ILE A 428 3.653 4.498 12.136 1.00 0.00 H new ATOM 0 HG22 ILE A 428 2.808 3.372 11.048 1.00 0.00 H new ATOM 0 HG23 ILE A 428 3.687 4.766 10.377 1.00 0.00 H new ATOM 0 HD11 ILE A 428 3.132 8.350 10.484 1.00 0.00 H new ATOM 0 HD12 ILE A 428 3.767 6.737 10.081 1.00 0.00 H new ATOM 0 HD13 ILE A 428 2.178 7.249 9.462 1.00 0.00 H new ATOM 193 N LYS A 429 0.738 2.974 8.997 1.00 0.00 N ATOM 194 CA LYS A 429 0.151 1.607 8.852 1.00 0.00 C ATOM 195 C LYS A 429 1.277 0.584 8.779 1.00 0.00 C ATOM 196 O LYS A 429 2.181 0.691 7.972 1.00 0.00 O ATOM 197 CB LYS A 429 -0.679 1.552 7.569 1.00 0.00 C ATOM 198 CG LYS A 429 -1.821 2.576 7.639 1.00 0.00 C ATOM 199 CD LYS A 429 -2.962 2.039 8.513 1.00 0.00 C ATOM 200 CE LYS A 429 -4.154 2.991 8.437 1.00 0.00 C ATOM 201 NZ LYS A 429 -3.813 4.272 9.117 1.00 0.00 N ATOM 0 H LYS A 429 1.440 3.215 8.297 1.00 0.00 H new ATOM 0 HA LYS A 429 -0.487 1.383 9.707 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -0.045 1.760 6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -1.086 0.550 7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -1.451 3.516 8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -2.191 2.788 6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -3.255 1.045 8.176 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -2.628 1.940 9.546 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -4.417 3.179 7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -5.026 2.537 8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -4.642 4.900 9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -3.533 4.079 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -3.026 4.732 8.617 1.00 0.00 H new ATOM 215 N ARG A 430 1.223 -0.407 9.627 1.00 0.00 N ATOM 216 CA ARG A 430 2.277 -1.462 9.642 1.00 0.00 C ATOM 217 C ARG A 430 1.723 -2.745 9.051 1.00 0.00 C ATOM 218 O ARG A 430 0.629 -3.172 9.379 1.00 0.00 O ATOM 219 CB ARG A 430 2.725 -1.711 11.080 1.00 0.00 C ATOM 220 CG ARG A 430 3.496 -0.491 11.586 1.00 0.00 C ATOM 221 CD ARG A 430 3.919 -0.715 13.038 1.00 0.00 C ATOM 222 NE ARG A 430 4.686 0.469 13.520 1.00 0.00 N ATOM 223 CZ ARG A 430 5.083 0.544 14.764 1.00 0.00 C ATOM 224 NH1 ARG A 430 4.805 -0.417 15.604 1.00 0.00 N ATOM 225 NH2 ARG A 430 5.757 1.584 15.167 1.00 0.00 N ATOM 0 H ARG A 430 0.484 -0.532 10.319 1.00 0.00 H new ATOM 0 HA ARG A 430 3.129 -1.132 9.048 1.00 0.00 H new ATOM 0 HB2 ARG A 430 1.860 -1.898 11.716 1.00 0.00 H new ATOM 0 HB3 ARG A 430 3.354 -2.600 11.129 1.00 0.00 H new ATOM 0 HG2 ARG A 430 4.374 -0.320 10.963 1.00 0.00 H new ATOM 0 HG3 ARG A 430 2.874 0.401 11.512 1.00 0.00 H new ATOM 0 HD2 ARG A 430 3.041 -0.872 13.664 1.00 0.00 H new ATOM 0 HD3 ARG A 430 4.530 -1.614 13.115 1.00 0.00 H new ATOM 0 HE ARG A 430 4.903 1.228 12.874 1.00 0.00 H new ATOM 0 HH11 ARG A 430 4.276 -1.231 15.291 1.00 0.00 H new ATOM 0 HH12 ARG A 430 5.117 -0.353 16.573 1.00 0.00 H new ATOM 0 HH21 ARG A 430 5.973 2.336 14.513 1.00 0.00 H new ATOM 0 HH22 ARG A 430 6.068 1.646 16.136 1.00 0.00 H new ATOM 239 N LEU A 431 2.476 -3.362 8.178 1.00 0.00 N ATOM 240 CA LEU A 431 2.020 -4.633 7.538 1.00 0.00 C ATOM 241 C LEU A 431 3.109 -5.702 7.703 1.00 0.00 C ATOM 242 O LEU A 431 4.277 -5.382 7.802 1.00 0.00 O ATOM 243 CB LEU A 431 1.777 -4.392 6.047 1.00 0.00 C ATOM 244 CG LEU A 431 0.826 -3.207 5.863 1.00 0.00 C ATOM 245 CD1 LEU A 431 0.777 -2.817 4.384 1.00 0.00 C ATOM 246 CD2 LEU A 431 -0.583 -3.590 6.336 1.00 0.00 C ATOM 0 H LEU A 431 3.395 -3.037 7.878 1.00 0.00 H new ATOM 0 HA LEU A 431 1.097 -4.969 8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 431 2.722 -4.193 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 431 1.353 -5.285 5.589 1.00 0.00 H new ATOM 0 HG LEU A 431 1.186 -2.364 6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 431 0.100 -1.973 4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 431 1.775 -2.537 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 431 0.421 -3.663 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 431 -1.255 -2.742 6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 431 -0.946 -4.436 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 431 -0.551 -3.865 7.390 1.00 0.00 H new ATOM 258 N PRO A 432 2.742 -6.964 7.718 1.00 0.00 N ATOM 259 CA PRO A 432 3.724 -8.080 7.852 1.00 0.00 C ATOM 260 C PRO A 432 4.873 -7.977 6.837 1.00 0.00 C ATOM 261 O PRO A 432 4.710 -7.486 5.735 1.00 0.00 O ATOM 262 CB PRO A 432 2.884 -9.342 7.598 1.00 0.00 C ATOM 263 CG PRO A 432 1.481 -8.958 7.936 1.00 0.00 C ATOM 264 CD PRO A 432 1.355 -7.468 7.631 1.00 0.00 C ATOM 0 HA PRO A 432 4.210 -8.073 8.827 1.00 0.00 H new ATOM 0 HB2 PRO A 432 2.964 -9.665 6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 432 3.224 -10.172 8.217 1.00 0.00 H new ATOM 0 HG2 PRO A 432 0.768 -9.536 7.348 1.00 0.00 H new ATOM 0 HG3 PRO A 432 1.266 -9.159 8.985 1.00 0.00 H new ATOM 0 HD2 PRO A 432 0.930 -7.298 6.642 1.00 0.00 H new ATOM 0 HD3 PRO A 432 0.703 -6.968 8.348 1.00 0.00 H new ATOM 272 N GLN A 433 6.035 -8.427 7.223 1.00 0.00 N ATOM 273 CA GLN A 433 7.216 -8.355 6.319 1.00 0.00 C ATOM 274 C GLN A 433 6.931 -9.081 4.999 1.00 0.00 C ATOM 275 O GLN A 433 6.441 -10.195 4.970 1.00 0.00 O ATOM 276 CB GLN A 433 8.424 -8.996 7.009 1.00 0.00 C ATOM 277 CG GLN A 433 9.683 -8.809 6.155 1.00 0.00 C ATOM 278 CD GLN A 433 10.033 -7.321 6.070 1.00 0.00 C ATOM 279 OE1 GLN A 433 9.495 -6.603 5.248 1.00 0.00 O ATOM 280 NE2 GLN A 433 10.913 -6.821 6.894 1.00 0.00 N ATOM 0 H GLN A 433 6.218 -8.845 8.135 1.00 0.00 H new ATOM 0 HA GLN A 433 7.428 -7.308 6.100 1.00 0.00 H new ATOM 0 HB2 GLN A 433 8.572 -8.546 7.991 1.00 0.00 H new ATOM 0 HB3 GLN A 433 8.239 -10.058 7.169 1.00 0.00 H new ATOM 0 HG2 GLN A 433 10.515 -9.364 6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 433 9.519 -9.212 5.155 1.00 0.00 H new ATOM 0 HE21 GLN A 433 11.365 -7.422 7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 433 11.149 -5.830 6.848 1.00 0.00 H new ATOM 289 N GLY A 434 7.244 -8.436 3.908 1.00 0.00 N ATOM 290 CA GLY A 434 7.012 -9.041 2.565 1.00 0.00 C ATOM 291 C GLY A 434 5.560 -8.801 2.141 1.00 0.00 C ATOM 292 O GLY A 434 5.061 -9.406 1.211 1.00 0.00 O ATOM 0 H GLY A 434 7.656 -7.503 3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 434 7.692 -8.603 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 434 7.221 -10.110 2.595 1.00 0.00 H new ATOM 296 N ALA A 435 4.880 -7.924 2.828 1.00 0.00 N ATOM 297 CA ALA A 435 3.454 -7.637 2.491 1.00 0.00 C ATOM 298 C ALA A 435 3.330 -7.135 1.054 1.00 0.00 C ATOM 299 O ALA A 435 4.310 -6.858 0.385 1.00 0.00 O ATOM 300 CB ALA A 435 2.910 -6.571 3.443 1.00 0.00 C ATOM 0 H ALA A 435 5.252 -7.390 3.613 1.00 0.00 H new ATOM 0 HA ALA A 435 2.881 -8.559 2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 435 1.869 -6.361 3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 435 2.975 -6.932 4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 435 3.498 -5.659 3.342 1.00 0.00 H new ATOM 306 N THR A 436 2.115 -7.024 0.579 1.00 0.00 N ATOM 307 CA THR A 436 1.870 -6.549 -0.816 1.00 0.00 C ATOM 308 C THR A 436 0.873 -5.389 -0.810 1.00 0.00 C ATOM 309 O THR A 436 0.271 -5.070 0.199 1.00 0.00 O ATOM 310 CB THR A 436 1.307 -7.702 -1.653 1.00 0.00 C ATOM 311 OG1 THR A 436 0.013 -8.051 -1.173 1.00 0.00 O ATOM 312 CG2 THR A 436 2.233 -8.914 -1.551 1.00 0.00 C ATOM 0 H THR A 436 1.271 -7.246 1.107 1.00 0.00 H new ATOM 0 HA THR A 436 2.811 -6.206 -1.246 1.00 0.00 H new ATOM 0 HB THR A 436 1.237 -7.389 -2.695 1.00 0.00 H new ATOM 0 HG1 THR A 436 -0.347 -8.787 -1.710 1.00 0.00 H new ATOM 0 HG21 THR A 436 1.829 -9.732 -2.148 1.00 0.00 H new ATOM 0 HG22 THR A 436 3.223 -8.648 -1.923 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.309 -9.227 -0.510 1.00 0.00 H new ATOM 320 N ALA A 437 0.705 -4.761 -1.940 1.00 0.00 N ATOM 321 CA ALA A 437 -0.244 -3.615 -2.044 1.00 0.00 C ATOM 322 C ALA A 437 -1.659 -4.074 -1.685 1.00 0.00 C ATOM 323 O ALA A 437 -2.472 -3.304 -1.204 1.00 0.00 O ATOM 324 CB ALA A 437 -0.232 -3.091 -3.481 1.00 0.00 C ATOM 0 H ALA A 437 1.190 -4.995 -2.806 1.00 0.00 H new ATOM 0 HA ALA A 437 0.060 -2.827 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -0.923 -2.252 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 437 0.774 -2.761 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -0.539 -3.886 -4.161 1.00 0.00 H new ATOM 330 N LEU A 438 -1.958 -5.320 -1.918 1.00 0.00 N ATOM 331 CA LEU A 438 -3.321 -5.839 -1.597 1.00 0.00 C ATOM 332 C LEU A 438 -3.570 -5.754 -0.090 1.00 0.00 C ATOM 333 O LEU A 438 -4.636 -5.372 0.354 1.00 0.00 O ATOM 334 CB LEU A 438 -3.417 -7.303 -2.039 1.00 0.00 C ATOM 335 CG LEU A 438 -3.398 -7.388 -3.572 1.00 0.00 C ATOM 336 CD1 LEU A 438 -3.239 -8.853 -4.000 1.00 0.00 C ATOM 337 CD2 LEU A 438 -4.705 -6.815 -4.159 1.00 0.00 C ATOM 0 H LEU A 438 -1.317 -6.006 -2.318 1.00 0.00 H new ATOM 0 HA LEU A 438 -4.067 -5.240 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.585 -7.873 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -4.333 -7.749 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 438 -2.559 -6.802 -3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -3.225 -8.915 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.304 -9.249 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -4.074 -9.438 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -4.676 -6.883 -5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -5.554 -7.386 -3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -4.810 -5.771 -3.863 1.00 0.00 H new ATOM 349 N ASP A 439 -2.592 -6.109 0.695 1.00 0.00 N ATOM 350 CA ASP A 439 -2.755 -6.063 2.179 1.00 0.00 C ATOM 351 C ASP A 439 -3.000 -4.620 2.627 1.00 0.00 C ATOM 352 O ASP A 439 -3.811 -4.353 3.496 1.00 0.00 O ATOM 353 CB ASP A 439 -1.483 -6.598 2.837 1.00 0.00 C ATOM 354 CG ASP A 439 -1.639 -6.563 4.360 1.00 0.00 C ATOM 355 OD1 ASP A 439 -2.630 -6.022 4.821 1.00 0.00 O ATOM 356 OD2 ASP A 439 -0.765 -7.079 5.035 1.00 0.00 O ATOM 0 H ASP A 439 -1.680 -6.432 0.372 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.607 -6.676 2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -1.291 -7.618 2.504 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -0.625 -5.997 2.535 1.00 0.00 H new ATOM 361 N PHE A 440 -2.311 -3.689 2.032 1.00 0.00 N ATOM 362 CA PHE A 440 -2.500 -2.255 2.400 1.00 0.00 C ATOM 363 C PHE A 440 -3.948 -1.849 2.112 1.00 0.00 C ATOM 364 O PHE A 440 -4.591 -1.179 2.903 1.00 0.00 O ATOM 365 CB PHE A 440 -1.548 -1.392 1.570 1.00 0.00 C ATOM 366 CG PHE A 440 -1.792 0.071 1.868 1.00 0.00 C ATOM 367 CD1 PHE A 440 -1.382 0.614 3.091 1.00 0.00 C ATOM 368 CD2 PHE A 440 -2.425 0.883 0.918 1.00 0.00 C ATOM 369 CE1 PHE A 440 -1.606 1.969 3.365 1.00 0.00 C ATOM 370 CE2 PHE A 440 -2.647 2.238 1.192 1.00 0.00 C ATOM 371 CZ PHE A 440 -2.238 2.781 2.415 1.00 0.00 C ATOM 0 H PHE A 440 -1.620 -3.858 1.301 1.00 0.00 H new ATOM 0 HA PHE A 440 -2.287 -2.112 3.459 1.00 0.00 H new ATOM 0 HB2 PHE A 440 -0.514 -1.652 1.798 1.00 0.00 H new ATOM 0 HB3 PHE A 440 -1.698 -1.586 0.508 1.00 0.00 H new ATOM 0 HD1 PHE A 440 -0.893 -0.012 3.823 1.00 0.00 H new ATOM 0 HD2 PHE A 440 -2.742 0.464 -0.026 1.00 0.00 H new ATOM 0 HE1 PHE A 440 -1.291 2.388 4.309 1.00 0.00 H new ATOM 0 HE2 PHE A 440 -3.134 2.864 0.459 1.00 0.00 H new ATOM 0 HZ PHE A 440 -2.410 3.826 2.626 1.00 0.00 H new ATOM 381 N ALA A 441 -4.460 -2.252 0.983 1.00 0.00 N ATOM 382 CA ALA A 441 -5.865 -1.903 0.619 1.00 0.00 C ATOM 383 C ALA A 441 -6.822 -2.471 1.671 1.00 0.00 C ATOM 384 O ALA A 441 -7.752 -1.814 2.105 1.00 0.00 O ATOM 385 CB ALA A 441 -6.192 -2.521 -0.740 1.00 0.00 C ATOM 0 H ALA A 441 -3.963 -2.812 0.291 1.00 0.00 H new ATOM 0 HA ALA A 441 -5.975 -0.819 0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -7.217 -2.272 -1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -5.508 -2.128 -1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -6.085 -3.604 -0.682 1.00 0.00 H new ATOM 391 N TYR A 442 -6.595 -3.686 2.084 1.00 0.00 N ATOM 392 CA TYR A 442 -7.476 -4.312 3.113 1.00 0.00 C ATOM 393 C TYR A 442 -7.339 -3.552 4.435 1.00 0.00 C ATOM 394 O TYR A 442 -8.294 -3.380 5.171 1.00 0.00 O ATOM 395 CB TYR A 442 -7.059 -5.773 3.320 1.00 0.00 C ATOM 396 CG TYR A 442 -7.588 -6.627 2.189 1.00 0.00 C ATOM 397 CD1 TYR A 442 -8.968 -6.780 2.022 1.00 0.00 C ATOM 398 CD2 TYR A 442 -6.703 -7.266 1.309 1.00 0.00 C ATOM 399 CE1 TYR A 442 -9.465 -7.569 0.978 1.00 0.00 C ATOM 400 CE2 TYR A 442 -7.200 -8.056 0.266 1.00 0.00 C ATOM 401 CZ TYR A 442 -8.581 -8.205 0.099 1.00 0.00 C ATOM 402 OH TYR A 442 -9.072 -8.983 -0.928 1.00 0.00 O ATOM 0 H TYR A 442 -5.833 -4.277 1.752 1.00 0.00 H new ATOM 0 HA TYR A 442 -8.512 -4.272 2.777 1.00 0.00 H new ATOM 0 HB2 TYR A 442 -5.972 -5.847 3.365 1.00 0.00 H new ATOM 0 HB3 TYR A 442 -7.443 -6.138 4.273 1.00 0.00 H new ATOM 0 HD1 TYR A 442 -9.651 -6.289 2.699 1.00 0.00 H new ATOM 0 HD2 TYR A 442 -5.637 -7.149 1.436 1.00 0.00 H new ATOM 0 HE1 TYR A 442 -10.531 -7.687 0.851 1.00 0.00 H new ATOM 0 HE2 TYR A 442 -6.518 -8.550 -0.410 1.00 0.00 H new ATOM 0 HH TYR A 442 -8.325 -9.351 -1.445 1.00 0.00 H new ATOM 412 N SER A 443 -6.155 -3.101 4.737 1.00 0.00 N ATOM 413 CA SER A 443 -5.934 -2.356 6.009 1.00 0.00 C ATOM 414 C SER A 443 -6.837 -1.119 6.045 1.00 0.00 C ATOM 415 O SER A 443 -7.419 -0.788 7.062 1.00 0.00 O ATOM 416 CB SER A 443 -4.473 -1.915 6.085 1.00 0.00 C ATOM 417 OG SER A 443 -3.631 -3.055 5.974 1.00 0.00 O ATOM 0 H SER A 443 -5.325 -3.216 4.155 1.00 0.00 H new ATOM 0 HA SER A 443 -6.171 -3.002 6.854 1.00 0.00 H new ATOM 0 HB2 SER A 443 -4.253 -1.207 5.286 1.00 0.00 H new ATOM 0 HB3 SER A 443 -4.285 -1.400 7.027 1.00 0.00 H new ATOM 0 HG SER A 443 -3.646 -3.384 5.051 1.00 0.00 H new ATOM 423 N LEU A 444 -6.952 -0.436 4.939 1.00 0.00 N ATOM 424 CA LEU A 444 -7.811 0.783 4.893 1.00 0.00 C ATOM 425 C LEU A 444 -9.286 0.379 4.941 1.00 0.00 C ATOM 426 O LEU A 444 -9.942 0.505 5.958 1.00 0.00 O ATOM 427 CB LEU A 444 -7.544 1.544 3.591 1.00 0.00 C ATOM 428 CG LEU A 444 -6.061 1.927 3.497 1.00 0.00 C ATOM 429 CD1 LEU A 444 -5.804 2.635 2.160 1.00 0.00 C ATOM 430 CD2 LEU A 444 -5.687 2.863 4.659 1.00 0.00 C ATOM 0 H LEU A 444 -6.487 -0.670 4.062 1.00 0.00 H new ATOM 0 HA LEU A 444 -7.579 1.417 5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -7.823 0.927 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -8.162 2.441 3.552 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.450 1.026 3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -4.751 2.909 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.061 1.966 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -6.417 3.534 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -4.633 3.131 4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -6.295 3.766 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -5.868 2.356 5.607 1.00 0.00 H new ATOM 442 N HIS A 445 -9.815 -0.094 3.843 1.00 0.00 N ATOM 443 CA HIS A 445 -11.256 -0.501 3.806 1.00 0.00 C ATOM 444 C HIS A 445 -11.408 -1.804 3.025 1.00 0.00 C ATOM 445 O HIS A 445 -10.449 -2.358 2.522 1.00 0.00 O ATOM 446 CB HIS A 445 -12.082 0.596 3.132 1.00 0.00 C ATOM 447 CG HIS A 445 -11.984 1.864 3.933 1.00 0.00 C ATOM 448 ND1 HIS A 445 -12.615 2.012 5.158 1.00 0.00 N ATOM 449 CD2 HIS A 445 -11.332 3.050 3.703 1.00 0.00 C ATOM 450 CE1 HIS A 445 -12.331 3.244 5.616 1.00 0.00 C ATOM 451 NE2 HIS A 445 -11.554 3.921 4.767 1.00 0.00 N ATOM 0 H HIS A 445 -9.311 -0.217 2.965 1.00 0.00 H new ATOM 0 HA HIS A 445 -11.611 -0.650 4.826 1.00 0.00 H new ATOM 0 HB2 HIS A 445 -11.721 0.766 2.118 1.00 0.00 H new ATOM 0 HB3 HIS A 445 -13.123 0.284 3.052 1.00 0.00 H new ATOM 0 HD2 HIS A 445 -10.737 3.274 2.830 1.00 0.00 H new ATOM 0 HE1 HIS A 445 -12.688 3.638 6.556 1.00 0.00 H new ATOM 0 HE2 HIS A 445 -11.199 4.871 4.874 1.00 0.00 H new ATOM 459 N SER A 446 -12.615 -2.294 2.925 1.00 0.00 N ATOM 460 CA SER A 446 -12.871 -3.565 2.180 1.00 0.00 C ATOM 461 C SER A 446 -13.497 -3.246 0.819 1.00 0.00 C ATOM 462 O SER A 446 -13.004 -3.653 -0.216 1.00 0.00 O ATOM 463 CB SER A 446 -13.845 -4.424 2.983 1.00 0.00 C ATOM 464 OG SER A 446 -14.030 -5.667 2.320 1.00 0.00 O ATOM 0 H SER A 446 -13.445 -1.864 3.332 1.00 0.00 H new ATOM 0 HA SER A 446 -11.931 -4.097 2.034 1.00 0.00 H new ATOM 0 HB2 SER A 446 -13.459 -4.589 3.989 1.00 0.00 H new ATOM 0 HB3 SER A 446 -14.800 -3.909 3.089 1.00 0.00 H new ATOM 0 HG SER A 446 -14.654 -6.222 2.833 1.00 0.00 H new ATOM 470 N ASP A 447 -14.585 -2.524 0.822 1.00 0.00 N ATOM 471 CA ASP A 447 -15.258 -2.176 -0.464 1.00 0.00 C ATOM 472 C ASP A 447 -14.319 -1.327 -1.323 1.00 0.00 C ATOM 473 O ASP A 447 -14.116 -1.590 -2.495 1.00 0.00 O ATOM 474 CB ASP A 447 -16.523 -1.366 -0.166 1.00 0.00 C ATOM 475 CG ASP A 447 -17.597 -2.281 0.425 1.00 0.00 C ATOM 476 OD1 ASP A 447 -17.439 -3.486 0.328 1.00 0.00 O ATOM 477 OD2 ASP A 447 -18.561 -1.760 0.964 1.00 0.00 O ATOM 0 H ASP A 447 -15.038 -2.159 1.660 1.00 0.00 H new ATOM 0 HA ASP A 447 -15.515 -3.092 -0.996 1.00 0.00 H new ATOM 0 HB2 ASP A 447 -16.294 -0.561 0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 447 -16.892 -0.901 -1.080 1.00 0.00 H new ATOM 482 N LEU A 448 -13.758 -0.301 -0.749 1.00 0.00 N ATOM 483 CA LEU A 448 -12.845 0.584 -1.526 1.00 0.00 C ATOM 484 C LEU A 448 -11.599 -0.205 -1.948 1.00 0.00 C ATOM 485 O LEU A 448 -11.141 -0.125 -3.073 1.00 0.00 O ATOM 486 CB LEU A 448 -12.430 1.773 -0.640 1.00 0.00 C ATOM 487 CG LEU A 448 -12.144 3.014 -1.507 1.00 0.00 C ATOM 488 CD1 LEU A 448 -11.118 2.667 -2.595 1.00 0.00 C ATOM 489 CD2 LEU A 448 -13.457 3.518 -2.157 1.00 0.00 C ATOM 0 H LEU A 448 -13.892 -0.036 0.227 1.00 0.00 H new ATOM 0 HA LEU A 448 -13.354 0.949 -2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 448 -13.222 1.996 0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 448 -11.543 1.512 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 448 -11.736 3.803 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 448 -10.921 3.549 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 448 -10.191 2.334 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 448 -11.513 1.871 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 448 -13.247 4.396 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 448 -13.878 2.732 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 448 -14.171 3.782 -1.377 1.00 0.00 H new ATOM 501 N GLY A 449 -11.050 -0.955 -1.040 1.00 0.00 N ATOM 502 CA GLY A 449 -9.826 -1.743 -1.354 1.00 0.00 C ATOM 503 C GLY A 449 -10.149 -2.831 -2.377 1.00 0.00 C ATOM 504 O GLY A 449 -9.396 -3.078 -3.305 1.00 0.00 O ATOM 0 H GLY A 449 -11.397 -1.058 -0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 449 -9.051 -1.084 -1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 449 -9.432 -2.195 -0.444 1.00 0.00 H new ATOM 508 N ASP A 450 -11.263 -3.484 -2.210 1.00 0.00 N ATOM 509 CA ASP A 450 -11.660 -4.566 -3.157 1.00 0.00 C ATOM 510 C ASP A 450 -11.953 -3.968 -4.538 1.00 0.00 C ATOM 511 O ASP A 450 -11.681 -4.571 -5.562 1.00 0.00 O ATOM 512 CB ASP A 450 -12.913 -5.262 -2.625 1.00 0.00 C ATOM 513 CG ASP A 450 -13.318 -6.393 -3.571 1.00 0.00 C ATOM 514 OD1 ASP A 450 -12.708 -6.510 -4.620 1.00 0.00 O ATOM 515 OD2 ASP A 450 -14.231 -7.126 -3.227 1.00 0.00 O ATOM 0 H ASP A 450 -11.923 -3.314 -1.451 1.00 0.00 H new ATOM 0 HA ASP A 450 -10.847 -5.287 -3.247 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -12.724 -5.660 -1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -13.728 -4.544 -2.532 1.00 0.00 H new ATOM 520 N HIS A 451 -12.509 -2.790 -4.570 1.00 0.00 N ATOM 521 CA HIS A 451 -12.830 -2.142 -5.875 1.00 0.00 C ATOM 522 C HIS A 451 -11.566 -1.477 -6.432 1.00 0.00 C ATOM 523 O HIS A 451 -11.627 -0.594 -7.269 1.00 0.00 O ATOM 524 CB HIS A 451 -13.924 -1.093 -5.656 1.00 0.00 C ATOM 525 CG HIS A 451 -14.335 -0.505 -6.977 1.00 0.00 C ATOM 526 ND1 HIS A 451 -14.564 -1.079 -8.201 1.00 0.00 N flip ATOM 527 CD2 HIS A 451 -14.560 0.852 -7.146 1.00 0.00 C flip ATOM 528 CE1 HIS A 451 -14.927 -0.097 -9.119 1.00 0.00 C flip ATOM 529 NE2 HIS A 451 -14.909 1.048 -8.431 1.00 0.00 N flip ATOM 0 H HIS A 451 -12.757 -2.244 -3.745 1.00 0.00 H new ATOM 0 HA HIS A 451 -13.184 -2.887 -6.587 1.00 0.00 H new ATOM 0 HB2 HIS A 451 -14.785 -1.548 -5.166 1.00 0.00 H new ATOM 0 HB3 HIS A 451 -13.560 -0.307 -4.995 1.00 0.00 H new ATOM 0 HD1 HIS A 451 -14.481 -2.074 -8.408 1.00 0.00 H new ATOM 0 HD2 HIS A 451 -14.471 1.613 -6.385 1.00 0.00 H new ATOM 0 HE1 HIS A 451 -15.171 -0.232 -10.162 1.00 0.00 H new ATOM 537 N CYS A 452 -10.423 -1.902 -5.966 1.00 0.00 N ATOM 538 CA CYS A 452 -9.142 -1.313 -6.449 1.00 0.00 C ATOM 539 C CYS A 452 -8.832 -1.822 -7.856 1.00 0.00 C ATOM 540 O CYS A 452 -8.858 -3.010 -8.123 1.00 0.00 O ATOM 541 CB CYS A 452 -8.011 -1.712 -5.498 1.00 0.00 C ATOM 542 SG CYS A 452 -7.837 -3.515 -5.487 1.00 0.00 S ATOM 0 H CYS A 452 -10.321 -2.637 -5.266 1.00 0.00 H new ATOM 0 HA CYS A 452 -9.232 -0.227 -6.476 1.00 0.00 H new ATOM 0 HB2 CYS A 452 -7.076 -1.248 -5.813 1.00 0.00 H new ATOM 0 HB3 CYS A 452 -8.223 -1.351 -4.492 1.00 0.00 H new ATOM 0 HG CYS A 452 -8.540 -4.013 -4.513 1.00 0.00 H new ATOM 548 N ILE A 453 -8.531 -0.923 -8.755 1.00 0.00 N ATOM 549 CA ILE A 453 -8.203 -1.316 -10.157 1.00 0.00 C ATOM 550 C ILE A 453 -6.690 -1.209 -10.371 1.00 0.00 C ATOM 551 O ILE A 453 -6.176 -1.555 -11.418 1.00 0.00 O ATOM 552 CB ILE A 453 -8.936 -0.378 -11.123 1.00 0.00 C ATOM 553 CG1 ILE A 453 -8.646 1.085 -10.757 1.00 0.00 C ATOM 554 CG2 ILE A 453 -10.441 -0.636 -11.028 1.00 0.00 C ATOM 555 CD1 ILE A 453 -9.172 2.005 -11.862 1.00 0.00 C ATOM 0 H ILE A 453 -8.498 0.080 -8.575 1.00 0.00 H new ATOM 0 HA ILE A 453 -8.518 -2.343 -10.341 1.00 0.00 H new ATOM 0 HB ILE A 453 -8.590 -0.566 -12.139 1.00 0.00 H new ATOM 0 HG12 ILE A 453 -9.119 1.333 -9.807 1.00 0.00 H new ATOM 0 HG13 ILE A 453 -7.574 1.232 -10.627 1.00 0.00 H new ATOM 0 HG21 ILE A 453 -10.968 0.028 -11.713 1.00 0.00 H new ATOM 0 HG22 ILE A 453 -10.650 -1.672 -11.295 1.00 0.00 H new ATOM 0 HG23 ILE A 453 -10.779 -0.448 -10.009 1.00 0.00 H new ATOM 0 HD11 ILE A 453 -8.965 3.043 -11.600 1.00 0.00 H new ATOM 0 HD12 ILE A 453 -8.678 1.763 -12.803 1.00 0.00 H new ATOM 0 HD13 ILE A 453 -10.248 1.865 -11.970 1.00 0.00 H new ATOM 567 N GLY A 454 -5.972 -0.735 -9.387 1.00 0.00 N ATOM 568 CA GLY A 454 -4.491 -0.612 -9.540 1.00 0.00 C ATOM 569 C GLY A 454 -3.861 -0.084 -8.250 1.00 0.00 C ATOM 570 O GLY A 454 -4.542 0.200 -7.281 1.00 0.00 O ATOM 0 H GLY A 454 -6.344 -0.429 -8.488 1.00 0.00 H new ATOM 0 HA2 GLY A 454 -4.063 -1.583 -9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 454 -4.259 0.060 -10.366 1.00 0.00 H new ATOM 574 N ALA A 455 -2.559 0.042 -8.233 1.00 0.00 N ATOM 575 CA ALA A 455 -1.858 0.545 -7.010 1.00 0.00 C ATOM 576 C ALA A 455 -0.734 1.495 -7.415 1.00 0.00 C ATOM 577 O ALA A 455 -0.107 1.335 -8.449 1.00 0.00 O ATOM 578 CB ALA A 455 -1.265 -0.631 -6.235 1.00 0.00 C ATOM 0 H ALA A 455 -1.947 -0.183 -9.017 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.575 1.073 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -0.756 -0.261 -5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -2.063 -1.311 -5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -0.552 -1.161 -6.867 1.00 0.00 H new ATOM 584 N LYS A 456 -0.477 2.481 -6.597 1.00 0.00 N ATOM 585 CA LYS A 456 0.604 3.465 -6.899 1.00 0.00 C ATOM 586 C LYS A 456 1.483 3.643 -5.663 1.00 0.00 C ATOM 587 O LYS A 456 1.006 3.968 -4.591 1.00 0.00 O ATOM 588 CB LYS A 456 -0.031 4.811 -7.281 1.00 0.00 C ATOM 589 CG LYS A 456 0.944 5.619 -8.137 1.00 0.00 C ATOM 590 CD LYS A 456 0.255 6.886 -8.638 1.00 0.00 C ATOM 591 CE LYS A 456 1.216 7.666 -9.537 1.00 0.00 C ATOM 592 NZ LYS A 456 1.241 7.046 -10.894 1.00 0.00 N ATOM 0 H LYS A 456 -0.975 2.648 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 456 1.214 3.103 -7.727 1.00 0.00 H new ATOM 0 HB2 LYS A 456 -0.958 4.644 -7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 456 -0.289 5.370 -6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 456 1.827 5.879 -7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 456 1.285 5.020 -8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 456 -0.648 6.628 -9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 456 -0.053 7.503 -7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 456 0.901 8.707 -9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 456 2.217 7.664 -9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 1.828 7.624 -11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 1.640 6.088 -10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 0.273 6.993 -11.270 1.00 0.00 H new ATOM 606 N VAL A 457 2.764 3.422 -5.810 1.00 0.00 N ATOM 607 CA VAL A 457 3.705 3.563 -4.658 1.00 0.00 C ATOM 608 C VAL A 457 4.818 4.556 -5.009 1.00 0.00 C ATOM 609 O VAL A 457 5.435 4.480 -6.058 1.00 0.00 O ATOM 610 CB VAL A 457 4.316 2.199 -4.334 1.00 0.00 C ATOM 611 CG1 VAL A 457 5.433 2.369 -3.301 1.00 0.00 C ATOM 612 CG2 VAL A 457 3.230 1.281 -3.768 1.00 0.00 C ATOM 0 H VAL A 457 3.203 3.147 -6.689 1.00 0.00 H new ATOM 0 HA VAL A 457 3.159 3.935 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 457 4.730 1.760 -5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 457 5.867 1.396 -3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 457 6.205 3.025 -3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 457 5.023 2.807 -2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 457 3.661 0.307 -3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 457 2.818 1.721 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 457 2.436 1.160 -4.505 1.00 0.00 H new ATOM 622 N ASN A 458 5.071 5.478 -4.121 1.00 0.00 N ATOM 623 CA ASN A 458 6.140 6.493 -4.346 1.00 0.00 C ATOM 624 C ASN A 458 5.904 7.214 -5.677 1.00 0.00 C ATOM 625 O ASN A 458 6.817 7.433 -6.455 1.00 0.00 O ATOM 626 CB ASN A 458 7.511 5.811 -4.329 1.00 0.00 C ATOM 627 CG ASN A 458 8.607 6.869 -4.176 1.00 0.00 C ATOM 628 OD1 ASN A 458 9.435 6.795 -3.167 1.00 0.00 O flip ATOM 629 ND2 ASN A 458 8.708 7.778 -4.978 1.00 0.00 N flip ATOM 0 H ASN A 458 4.574 5.572 -3.235 1.00 0.00 H new ATOM 0 HA ASN A 458 6.112 7.234 -3.547 1.00 0.00 H new ATOM 0 HB2 ASN A 458 7.563 5.097 -3.507 1.00 0.00 H new ATOM 0 HB3 ASN A 458 7.660 5.248 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 458 8.063 7.837 -5.766 1.00 0.00 H new ATOM 0 HD22 ASN A 458 9.438 8.481 -4.863 1.00 0.00 H new ATOM 636 N HIS A 459 4.675 7.580 -5.926 1.00 0.00 N ATOM 637 CA HIS A 459 4.322 8.295 -7.189 1.00 0.00 C ATOM 638 C HIS A 459 4.711 7.437 -8.392 1.00 0.00 C ATOM 639 O HIS A 459 4.741 7.902 -9.517 1.00 0.00 O ATOM 640 CB HIS A 459 5.050 9.642 -7.248 1.00 0.00 C ATOM 641 CG HIS A 459 4.619 10.388 -8.481 1.00 0.00 C ATOM 642 ND1 HIS A 459 5.424 10.486 -9.605 1.00 0.00 N ATOM 643 CD2 HIS A 459 3.469 11.077 -8.784 1.00 0.00 C ATOM 644 CE1 HIS A 459 4.755 11.206 -10.523 1.00 0.00 C ATOM 645 NE2 HIS A 459 3.559 11.593 -10.074 1.00 0.00 N ATOM 0 H HIS A 459 3.889 7.412 -5.299 1.00 0.00 H new ATOM 0 HA HIS A 459 3.247 8.474 -7.211 1.00 0.00 H new ATOM 0 HB2 HIS A 459 4.826 10.229 -6.357 1.00 0.00 H new ATOM 0 HB3 HIS A 459 6.129 9.485 -7.263 1.00 0.00 H new ATOM 0 HD2 HIS A 459 2.624 11.199 -8.122 1.00 0.00 H new ATOM 0 HE1 HIS A 459 5.139 11.442 -11.504 1.00 0.00 H new ATOM 0 HE2 HIS A 459 2.861 12.148 -10.570 1.00 0.00 H new ATOM 653 N LYS A 460 5.006 6.184 -8.157 1.00 0.00 N ATOM 654 CA LYS A 460 5.398 5.266 -9.272 1.00 0.00 C ATOM 655 C LYS A 460 4.351 4.170 -9.430 1.00 0.00 C ATOM 656 O LYS A 460 3.766 3.702 -8.471 1.00 0.00 O ATOM 657 CB LYS A 460 6.749 4.637 -8.962 1.00 0.00 C ATOM 658 CG LYS A 460 7.195 3.782 -10.154 1.00 0.00 C ATOM 659 CD LYS A 460 8.551 3.135 -9.856 1.00 0.00 C ATOM 660 CE LYS A 460 9.674 4.170 -9.993 1.00 0.00 C ATOM 661 NZ LYS A 460 10.987 3.472 -10.010 1.00 0.00 N ATOM 0 H LYS A 460 4.992 5.753 -7.233 1.00 0.00 H new ATOM 0 HA LYS A 460 5.465 5.835 -10.199 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.487 5.413 -8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 460 6.680 4.022 -8.065 1.00 0.00 H new ATOM 0 HG2 LYS A 460 6.452 3.011 -10.357 1.00 0.00 H new ATOM 0 HG3 LYS A 460 7.266 4.400 -11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 460 8.550 2.720 -8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 460 8.725 2.306 -10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 460 9.544 4.746 -10.909 1.00 0.00 H new ATOM 0 HE3 LYS A 460 9.636 4.877 -9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 11.751 4.172 -10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 11.109 2.941 -9.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 11.020 2.814 -10.815 1.00 0.00 H new ATOM 675 N LEU A 461 4.111 3.766 -10.645 1.00 0.00 N ATOM 676 CA LEU A 461 3.095 2.710 -10.893 1.00 0.00 C ATOM 677 C LEU A 461 3.714 1.339 -10.652 1.00 0.00 C ATOM 678 O LEU A 461 4.595 0.904 -11.373 1.00 0.00 O ATOM 679 CB LEU A 461 2.601 2.813 -12.345 1.00 0.00 C ATOM 680 CG LEU A 461 1.176 2.245 -12.455 1.00 0.00 C ATOM 681 CD1 LEU A 461 1.152 0.810 -11.908 1.00 0.00 C ATOM 682 CD2 LEU A 461 0.190 3.134 -11.653 1.00 0.00 C ATOM 0 H LEU A 461 4.577 4.124 -11.479 1.00 0.00 H new ATOM 0 HA LEU A 461 2.253 2.844 -10.214 1.00 0.00 H new ATOM 0 HB2 LEU A 461 2.613 3.854 -12.669 1.00 0.00 H new ATOM 0 HB3 LEU A 461 3.272 2.265 -13.006 1.00 0.00 H new ATOM 0 HG LEU A 461 0.871 2.236 -13.501 1.00 0.00 H new ATOM 0 HD11 LEU A 461 0.142 0.408 -11.986 1.00 0.00 H new ATOM 0 HD12 LEU A 461 1.836 0.189 -12.486 1.00 0.00 H new ATOM 0 HD13 LEU A 461 1.461 0.814 -10.863 1.00 0.00 H new ATOM 0 HD21 LEU A 461 -0.817 2.726 -11.735 1.00 0.00 H new ATOM 0 HD22 LEU A 461 0.489 3.155 -10.605 1.00 0.00 H new ATOM 0 HD23 LEU A 461 0.205 4.147 -12.054 1.00 0.00 H new ATOM 694 N VAL A 462 3.246 0.656 -9.639 1.00 0.00 N ATOM 695 CA VAL A 462 3.774 -0.700 -9.318 1.00 0.00 C ATOM 696 C VAL A 462 2.629 -1.722 -9.376 1.00 0.00 C ATOM 697 O VAL A 462 1.484 -1.389 -9.138 1.00 0.00 O ATOM 698 CB VAL A 462 4.368 -0.683 -7.909 1.00 0.00 C ATOM 699 CG1 VAL A 462 5.699 0.063 -7.936 1.00 0.00 C ATOM 700 CG2 VAL A 462 3.406 0.015 -6.943 1.00 0.00 C ATOM 0 H VAL A 462 2.511 0.986 -9.014 1.00 0.00 H new ATOM 0 HA VAL A 462 4.543 -0.976 -10.040 1.00 0.00 H new ATOM 0 HB VAL A 462 4.526 -1.707 -7.571 1.00 0.00 H new ATOM 0 HG11 VAL A 462 6.128 0.079 -6.934 1.00 0.00 H new ATOM 0 HG12 VAL A 462 6.385 -0.441 -8.616 1.00 0.00 H new ATOM 0 HG13 VAL A 462 5.536 1.085 -8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 462 3.837 0.022 -5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 462 3.239 1.040 -7.274 1.00 0.00 H new ATOM 0 HG23 VAL A 462 2.457 -0.520 -6.925 1.00 0.00 H new ATOM 710 N PRO A 463 2.934 -2.960 -9.686 1.00 0.00 N ATOM 711 CA PRO A 463 1.910 -4.042 -9.765 1.00 0.00 C ATOM 712 C PRO A 463 1.303 -4.373 -8.395 1.00 0.00 C ATOM 713 O PRO A 463 1.839 -4.030 -7.356 1.00 0.00 O ATOM 714 CB PRO A 463 2.683 -5.246 -10.339 1.00 0.00 C ATOM 715 CG PRO A 463 4.121 -4.982 -10.019 1.00 0.00 C ATOM 716 CD PRO A 463 4.282 -3.463 -10.006 1.00 0.00 C ATOM 0 HA PRO A 463 1.059 -3.751 -10.381 1.00 0.00 H new ATOM 0 HB2 PRO A 463 2.345 -6.180 -9.890 1.00 0.00 H new ATOM 0 HB3 PRO A 463 2.529 -5.335 -11.414 1.00 0.00 H new ATOM 0 HG2 PRO A 463 4.390 -5.410 -9.053 1.00 0.00 H new ATOM 0 HG3 PRO A 463 4.775 -5.437 -10.763 1.00 0.00 H new ATOM 0 HD2 PRO A 463 5.013 -3.146 -9.262 1.00 0.00 H new ATOM 0 HD3 PRO A 463 4.628 -3.091 -10.970 1.00 0.00 H new ATOM 724 N LEU A 464 0.181 -5.037 -8.401 1.00 0.00 N ATOM 725 CA LEU A 464 -0.494 -5.404 -7.124 1.00 0.00 C ATOM 726 C LEU A 464 0.405 -6.353 -6.319 1.00 0.00 C ATOM 727 O LEU A 464 0.503 -6.260 -5.109 1.00 0.00 O ATOM 728 CB LEU A 464 -1.822 -6.104 -7.442 1.00 0.00 C ATOM 729 CG LEU A 464 -2.887 -5.060 -7.790 1.00 0.00 C ATOM 730 CD1 LEU A 464 -2.457 -4.289 -9.043 1.00 0.00 C ATOM 731 CD2 LEU A 464 -4.223 -5.759 -8.058 1.00 0.00 C ATOM 0 H LEU A 464 -0.302 -5.344 -9.245 1.00 0.00 H new ATOM 0 HA LEU A 464 -0.682 -4.505 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 464 -1.690 -6.794 -8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 464 -2.146 -6.696 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 464 -3.000 -4.368 -6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 464 -3.215 -3.546 -9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 464 -1.507 -3.789 -8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 464 -2.343 -4.983 -9.876 1.00 0.00 H new ATOM 0 HD21 LEU A 464 -4.980 -5.015 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 464 -4.110 -6.453 -8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 464 -4.531 -6.308 -7.168 1.00 0.00 H new ATOM 743 N SER A 465 1.059 -7.263 -6.985 1.00 0.00 N ATOM 744 CA SER A 465 1.951 -8.224 -6.270 1.00 0.00 C ATOM 745 C SER A 465 3.245 -7.509 -5.866 1.00 0.00 C ATOM 746 O SER A 465 4.207 -8.125 -5.444 1.00 0.00 O ATOM 747 CB SER A 465 2.275 -9.394 -7.202 1.00 0.00 C ATOM 748 OG SER A 465 3.445 -10.056 -6.745 1.00 0.00 O ATOM 0 H SER A 465 1.015 -7.385 -7.997 1.00 0.00 H new ATOM 0 HA SER A 465 1.453 -8.599 -5.376 1.00 0.00 H new ATOM 0 HB2 SER A 465 1.438 -10.092 -7.231 1.00 0.00 H new ATOM 0 HB3 SER A 465 2.424 -9.032 -8.219 1.00 0.00 H new ATOM 0 HG SER A 465 3.702 -9.699 -5.869 1.00 0.00 H new ATOM 754 N TYR A 466 3.269 -6.212 -6.000 1.00 0.00 N ATOM 755 CA TYR A 466 4.489 -5.433 -5.639 1.00 0.00 C ATOM 756 C TYR A 466 4.706 -5.448 -4.126 1.00 0.00 C ATOM 757 O TYR A 466 3.791 -5.261 -3.345 1.00 0.00 O ATOM 758 CB TYR A 466 4.330 -3.990 -6.115 1.00 0.00 C ATOM 759 CG TYR A 466 5.548 -3.188 -5.718 1.00 0.00 C ATOM 760 CD1 TYR A 466 6.731 -3.306 -6.458 1.00 0.00 C ATOM 761 CD2 TYR A 466 5.495 -2.329 -4.613 1.00 0.00 C ATOM 762 CE1 TYR A 466 7.860 -2.563 -6.094 1.00 0.00 C ATOM 763 CE2 TYR A 466 6.625 -1.586 -4.250 1.00 0.00 C ATOM 764 CZ TYR A 466 7.809 -1.703 -4.990 1.00 0.00 C ATOM 765 OH TYR A 466 8.921 -0.971 -4.632 1.00 0.00 O ATOM 0 H TYR A 466 2.490 -5.653 -6.347 1.00 0.00 H new ATOM 0 HA TYR A 466 5.353 -5.890 -6.122 1.00 0.00 H new ATOM 0 HB2 TYR A 466 4.203 -3.965 -7.197 1.00 0.00 H new ATOM 0 HB3 TYR A 466 3.434 -3.549 -5.679 1.00 0.00 H new ATOM 0 HD1 TYR A 466 6.772 -3.970 -7.309 1.00 0.00 H new ATOM 0 HD2 TYR A 466 4.583 -2.240 -4.041 1.00 0.00 H new ATOM 0 HE1 TYR A 466 8.772 -2.653 -6.666 1.00 0.00 H new ATOM 0 HE2 TYR A 466 6.584 -0.922 -3.399 1.00 0.00 H new ATOM 0 HH TYR A 466 8.714 -0.425 -3.845 1.00 0.00 H new ATOM 775 N VAL A 467 5.925 -5.664 -3.716 1.00 0.00 N ATOM 776 CA VAL A 467 6.246 -5.693 -2.263 1.00 0.00 C ATOM 777 C VAL A 467 6.404 -4.264 -1.739 1.00 0.00 C ATOM 778 O VAL A 467 7.088 -3.441 -2.320 1.00 0.00 O ATOM 779 CB VAL A 467 7.545 -6.468 -2.049 1.00 0.00 C ATOM 780 CG1 VAL A 467 7.949 -6.387 -0.577 1.00 0.00 C ATOM 781 CG2 VAL A 467 7.330 -7.934 -2.437 1.00 0.00 C ATOM 0 H VAL A 467 6.721 -5.823 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 467 5.437 -6.182 -1.721 1.00 0.00 H new ATOM 0 HB VAL A 467 8.333 -6.037 -2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 467 8.876 -6.940 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 467 8.098 -5.344 -0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 467 7.162 -6.819 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 467 8.255 -8.490 -2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 467 6.543 -8.363 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 467 7.038 -7.994 -3.486 1.00 0.00 H new ATOM 791 N LEU A 468 5.761 -3.970 -0.646 1.00 0.00 N ATOM 792 CA LEU A 468 5.836 -2.601 -0.061 1.00 0.00 C ATOM 793 C LEU A 468 7.197 -2.371 0.592 1.00 0.00 C ATOM 794 O LEU A 468 7.793 -3.269 1.159 1.00 0.00 O ATOM 795 CB LEU A 468 4.733 -2.444 0.985 1.00 0.00 C ATOM 796 CG LEU A 468 3.374 -2.742 0.341 1.00 0.00 C ATOM 797 CD1 LEU A 468 2.272 -2.627 1.396 1.00 0.00 C ATOM 798 CD2 LEU A 468 3.107 -1.744 -0.799 1.00 0.00 C ATOM 0 H LEU A 468 5.179 -4.627 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 468 5.704 -1.867 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 468 4.909 -3.123 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 468 4.742 -1.432 1.390 1.00 0.00 H new ATOM 0 HG LEU A 468 3.382 -3.753 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 468 1.306 -2.839 0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 468 2.459 -3.343 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 468 2.265 -1.617 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 468 2.140 -1.960 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 468 3.102 -0.729 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 468 3.890 -1.834 -1.552 1.00 0.00 H new ATOM 810 N ASN A 469 7.685 -1.159 0.508 1.00 0.00 N ATOM 811 CA ASN A 469 9.010 -0.814 1.106 1.00 0.00 C ATOM 812 C ASN A 469 8.827 0.231 2.208 1.00 0.00 C ATOM 813 O ASN A 469 7.987 1.108 2.124 1.00 0.00 O ATOM 814 CB ASN A 469 9.920 -0.255 0.015 1.00 0.00 C ATOM 815 CG ASN A 469 10.223 -1.353 -1.007 1.00 0.00 C ATOM 816 OD1 ASN A 469 9.916 -2.592 -0.727 1.00 0.00 O flip ATOM 817 ND2 ASN A 469 10.743 -1.083 -2.072 1.00 0.00 N flip ATOM 0 H ASN A 469 7.214 -0.383 0.043 1.00 0.00 H new ATOM 0 HA ASN A 469 9.459 -1.709 1.537 1.00 0.00 H new ATOM 0 HB2 ASN A 469 9.440 0.591 -0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 469 10.847 0.115 0.453 1.00 0.00 H new ATOM 0 HD21 ASN A 469 10.983 -0.116 -2.292 1.00 0.00 H new ATOM 0 HD22 ASN A 469 10.939 -1.823 -2.746 1.00 0.00 H new ATOM 824 N SER A 470 9.613 0.127 3.242 1.00 0.00 N ATOM 825 CA SER A 470 9.514 1.082 4.381 1.00 0.00 C ATOM 826 C SER A 470 9.974 2.482 3.969 1.00 0.00 C ATOM 827 O SER A 470 10.942 2.657 3.250 1.00 0.00 O ATOM 828 CB SER A 470 10.392 0.582 5.526 1.00 0.00 C ATOM 829 OG SER A 470 10.344 1.513 6.600 1.00 0.00 O ATOM 0 H SER A 470 10.331 -0.590 3.348 1.00 0.00 H new ATOM 0 HA SER A 470 8.472 1.141 4.695 1.00 0.00 H new ATOM 0 HB2 SER A 470 10.048 -0.396 5.862 1.00 0.00 H new ATOM 0 HB3 SER A 470 11.419 0.458 5.184 1.00 0.00 H new ATOM 0 HG SER A 470 10.906 1.192 7.336 1.00 0.00 H new ATOM 835 N GLY A 471 9.277 3.482 4.441 1.00 0.00 N ATOM 836 CA GLY A 471 9.637 4.895 4.120 1.00 0.00 C ATOM 837 C GLY A 471 8.851 5.367 2.892 1.00 0.00 C ATOM 838 O GLY A 471 8.611 6.546 2.708 1.00 0.00 O ATOM 0 H GLY A 471 8.461 3.378 5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 471 9.418 5.538 4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 471 10.707 4.973 3.929 1.00 0.00 H new ATOM 842 N ASP A 472 8.463 4.452 2.047 1.00 0.00 N ATOM 843 CA ASP A 472 7.709 4.829 0.812 1.00 0.00 C ATOM 844 C ASP A 472 6.236 5.101 1.120 1.00 0.00 C ATOM 845 O ASP A 472 5.712 4.720 2.151 1.00 0.00 O ATOM 846 CB ASP A 472 7.806 3.693 -0.209 1.00 0.00 C ATOM 847 CG ASP A 472 9.216 3.649 -0.801 1.00 0.00 C ATOM 848 OD1 ASP A 472 9.981 4.559 -0.530 1.00 0.00 O ATOM 849 OD2 ASP A 472 9.506 2.706 -1.520 1.00 0.00 O ATOM 0 H ASP A 472 8.636 3.453 2.157 1.00 0.00 H new ATOM 0 HA ASP A 472 8.151 5.741 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 472 7.572 2.741 0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 472 7.073 3.841 -1.002 1.00 0.00 H new ATOM 854 N GLN A 473 5.565 5.755 0.206 1.00 0.00 N ATOM 855 CA GLN A 473 4.118 6.067 0.390 1.00 0.00 C ATOM 856 C GLN A 473 3.292 5.111 -0.465 1.00 0.00 C ATOM 857 O GLN A 473 3.600 4.862 -1.616 1.00 0.00 O ATOM 858 CB GLN A 473 3.842 7.505 -0.046 1.00 0.00 C ATOM 859 CG GLN A 473 2.383 7.852 0.257 1.00 0.00 C ATOM 860 CD GLN A 473 2.084 9.287 -0.180 1.00 0.00 C ATOM 861 OE1 GLN A 473 2.476 9.705 -1.252 1.00 0.00 O ATOM 862 NE2 GLN A 473 1.401 10.063 0.615 1.00 0.00 N ATOM 0 H GLN A 473 5.965 6.090 -0.671 1.00 0.00 H new ATOM 0 HA GLN A 473 3.849 5.953 1.440 1.00 0.00 H new ATOM 0 HB2 GLN A 473 4.508 8.191 0.478 1.00 0.00 H new ATOM 0 HB3 GLN A 473 4.042 7.619 -1.111 1.00 0.00 H new ATOM 0 HG2 GLN A 473 1.721 7.160 -0.263 1.00 0.00 H new ATOM 0 HG3 GLN A 473 2.188 7.740 1.324 1.00 0.00 H new ATOM 0 HE21 GLN A 473 1.073 9.710 1.514 1.00 0.00 H new ATOM 0 HE22 GLN A 473 1.195 11.023 0.338 1.00 0.00 H new ATOM 871 N VAL A 474 2.251 4.562 0.104 1.00 0.00 N ATOM 872 CA VAL A 474 1.390 3.598 -0.640 1.00 0.00 C ATOM 873 C VAL A 474 -0.004 4.179 -0.839 1.00 0.00 C ATOM 874 O VAL A 474 -0.624 4.685 0.080 1.00 0.00 O ATOM 875 CB VAL A 474 1.290 2.301 0.156 1.00 0.00 C ATOM 876 CG1 VAL A 474 0.456 1.290 -0.631 1.00 0.00 C ATOM 877 CG2 VAL A 474 2.696 1.744 0.382 1.00 0.00 C ATOM 0 H VAL A 474 1.958 4.743 1.064 1.00 0.00 H new ATOM 0 HA VAL A 474 1.833 3.403 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 474 0.814 2.491 1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 474 0.382 0.361 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -0.543 1.694 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 474 0.933 1.093 -1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 474 2.633 0.816 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 474 3.169 1.548 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 474 3.290 2.470 0.937 1.00 0.00 H new ATOM 887 N GLU A 475 -0.499 4.101 -2.041 1.00 0.00 N ATOM 888 CA GLU A 475 -1.856 4.634 -2.347 1.00 0.00 C ATOM 889 C GLU A 475 -2.575 3.673 -3.294 1.00 0.00 C ATOM 890 O GLU A 475 -1.964 3.039 -4.137 1.00 0.00 O ATOM 891 CB GLU A 475 -1.728 6.007 -3.003 1.00 0.00 C ATOM 892 CG GLU A 475 -3.125 6.578 -3.252 1.00 0.00 C ATOM 893 CD GLU A 475 -3.006 7.982 -3.842 1.00 0.00 C ATOM 894 OE1 GLU A 475 -1.925 8.543 -3.773 1.00 0.00 O ATOM 895 OE2 GLU A 475 -3.999 8.474 -4.351 1.00 0.00 O ATOM 0 H GLU A 475 -0.015 3.685 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 475 -2.429 4.729 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 475 -1.157 6.678 -2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 475 -1.183 5.925 -3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 475 -3.677 5.931 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 475 -3.687 6.611 -2.319 1.00 0.00 H new ATOM 902 N VAL A 476 -3.871 3.561 -3.152 1.00 0.00 N ATOM 903 CA VAL A 476 -4.666 2.641 -4.023 1.00 0.00 C ATOM 904 C VAL A 476 -5.470 3.445 -5.044 1.00 0.00 C ATOM 905 O VAL A 476 -6.139 4.408 -4.717 1.00 0.00 O ATOM 906 CB VAL A 476 -5.613 1.807 -3.154 1.00 0.00 C ATOM 907 CG1 VAL A 476 -4.809 0.730 -2.426 1.00 0.00 C ATOM 908 CG2 VAL A 476 -6.310 2.702 -2.122 1.00 0.00 C ATOM 0 H VAL A 476 -4.419 4.074 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 476 -3.986 1.978 -4.558 1.00 0.00 H new ATOM 0 HB VAL A 476 -6.367 1.344 -3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.478 0.133 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -4.320 0.085 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -4.055 1.202 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -6.980 2.098 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.562 3.173 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -6.884 3.472 -2.637 1.00 0.00 H new ATOM 918 N LEU A 477 -5.397 3.045 -6.283 1.00 0.00 N ATOM 919 CA LEU A 477 -6.135 3.756 -7.364 1.00 0.00 C ATOM 920 C LEU A 477 -7.545 3.183 -7.483 1.00 0.00 C ATOM 921 O LEU A 477 -7.741 1.982 -7.520 1.00 0.00 O ATOM 922 CB LEU A 477 -5.391 3.564 -8.689 1.00 0.00 C ATOM 923 CG LEU A 477 -3.952 4.078 -8.553 1.00 0.00 C ATOM 924 CD1 LEU A 477 -3.199 3.846 -9.867 1.00 0.00 C ATOM 925 CD2 LEU A 477 -3.964 5.582 -8.224 1.00 0.00 C ATOM 0 H LEU A 477 -4.849 2.244 -6.597 1.00 0.00 H new ATOM 0 HA LEU A 477 -6.198 4.818 -7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.386 2.510 -8.965 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -5.905 4.100 -9.487 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.453 3.539 -7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.177 4.211 -9.770 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.183 2.780 -10.094 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -3.701 4.381 -10.673 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -2.940 5.942 -8.129 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -4.466 6.125 -9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -4.495 5.745 -7.286 1.00 0.00 H new ATOM 937 N SER A 478 -8.530 4.043 -7.530 1.00 0.00 N ATOM 938 CA SER A 478 -9.949 3.583 -7.634 1.00 0.00 C ATOM 939 C SER A 478 -10.664 4.326 -8.761 1.00 0.00 C ATOM 940 O SER A 478 -10.311 5.434 -9.121 1.00 0.00 O ATOM 941 CB SER A 478 -10.662 3.853 -6.314 1.00 0.00 C ATOM 942 OG SER A 478 -10.142 2.983 -5.321 1.00 0.00 O ATOM 0 H SER A 478 -8.411 5.056 -7.500 1.00 0.00 H new ATOM 0 HA SER A 478 -9.963 2.515 -7.851 1.00 0.00 H new ATOM 0 HB2 SER A 478 -10.521 4.892 -6.016 1.00 0.00 H new ATOM 0 HB3 SER A 478 -11.735 3.697 -6.427 1.00 0.00 H new ATOM 0 HG SER A 478 -9.490 3.466 -4.771 1.00 0.00 H new ATOM 948 N SER A 479 -11.674 3.710 -9.312 1.00 0.00 N ATOM 949 CA SER A 479 -12.444 4.342 -10.418 1.00 0.00 C ATOM 950 C SER A 479 -13.605 5.150 -9.835 1.00 0.00 C ATOM 951 O SER A 479 -14.728 4.686 -9.759 1.00 0.00 O ATOM 952 CB SER A 479 -12.989 3.243 -11.335 1.00 0.00 C ATOM 953 OG SER A 479 -13.509 2.184 -10.541 1.00 0.00 O ATOM 0 H SER A 479 -12.002 2.784 -9.038 1.00 0.00 H new ATOM 0 HA SER A 479 -11.796 5.008 -10.988 1.00 0.00 H new ATOM 0 HB2 SER A 479 -13.769 3.646 -11.981 1.00 0.00 H new ATOM 0 HB3 SER A 479 -12.198 2.871 -11.986 1.00 0.00 H new ATOM 0 HG SER A 479 -14.041 2.556 -9.807 1.00 0.00 H new ATOM 959 N LYS A 480 -13.330 6.363 -9.432 1.00 0.00 N ATOM 960 CA LYS A 480 -14.387 7.250 -8.856 1.00 0.00 C ATOM 961 C LYS A 480 -14.617 8.432 -9.805 1.00 0.00 C ATOM 962 O LYS A 480 -15.358 9.349 -9.510 1.00 0.00 O ATOM 963 CB LYS A 480 -13.925 7.765 -7.488 1.00 0.00 C ATOM 964 CG LYS A 480 -12.525 8.382 -7.607 1.00 0.00 C ATOM 965 CD LYS A 480 -12.211 9.197 -6.344 1.00 0.00 C ATOM 966 CE LYS A 480 -12.076 8.267 -5.133 1.00 0.00 C ATOM 967 NZ LYS A 480 -11.171 7.132 -5.468 1.00 0.00 N ATOM 0 H LYS A 480 -12.402 6.784 -9.478 1.00 0.00 H new ATOM 0 HA LYS A 480 -15.316 6.694 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -14.629 8.508 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -13.911 6.947 -6.768 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -11.781 7.597 -7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -12.473 9.022 -8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -11.287 9.758 -6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -13.003 9.925 -6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -11.681 8.820 -4.280 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -13.056 7.889 -4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -10.812 6.704 -4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -11.696 6.418 -6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -10.372 7.481 -6.035 1.00 0.00 H new ATOM 981 N SER A 481 -13.977 8.406 -10.944 1.00 0.00 N ATOM 982 CA SER A 481 -14.137 9.515 -11.934 1.00 0.00 C ATOM 983 C SER A 481 -15.370 9.248 -12.795 1.00 0.00 C ATOM 984 O SER A 481 -15.718 10.021 -13.667 1.00 0.00 O ATOM 985 CB SER A 481 -12.897 9.578 -12.827 1.00 0.00 C ATOM 986 OG SER A 481 -12.823 8.391 -13.607 1.00 0.00 O ATOM 0 H SER A 481 -13.346 7.659 -11.234 1.00 0.00 H new ATOM 0 HA SER A 481 -14.257 10.462 -11.409 1.00 0.00 H new ATOM 0 HB2 SER A 481 -12.946 10.452 -13.476 1.00 0.00 H new ATOM 0 HB3 SER A 481 -12.000 9.684 -12.217 1.00 0.00 H new ATOM 0 HG SER A 481 -12.031 8.427 -14.183 1.00 0.00 H new ATOM 992 N LEU A 482 -16.023 8.149 -12.558 1.00 0.00 N ATOM 993 CA LEU A 482 -17.230 7.803 -13.359 1.00 0.00 C ATOM 994 C LEU A 482 -18.436 8.574 -12.810 1.00 0.00 C ATOM 995 O LEU A 482 -19.517 8.542 -13.368 1.00 0.00 O ATOM 996 CB LEU A 482 -17.469 6.296 -13.235 1.00 0.00 C ATOM 997 CG LEU A 482 -16.514 5.547 -14.169 1.00 0.00 C ATOM 998 CD1 LEU A 482 -15.071 5.978 -13.884 1.00 0.00 C ATOM 999 CD2 LEU A 482 -16.646 4.039 -13.935 1.00 0.00 C ATOM 0 H LEU A 482 -15.773 7.470 -11.840 1.00 0.00 H new ATOM 0 HA LEU A 482 -17.088 8.070 -14.406 1.00 0.00 H new ATOM 0 HB2 LEU A 482 -17.312 5.976 -12.205 1.00 0.00 H new ATOM 0 HB3 LEU A 482 -18.502 6.059 -13.488 1.00 0.00 H new ATOM 0 HG LEU A 482 -16.767 5.781 -15.203 1.00 0.00 H new ATOM 0 HD11 LEU A 482 -14.393 5.444 -14.550 1.00 0.00 H new ATOM 0 HD12 LEU A 482 -14.972 7.051 -14.050 1.00 0.00 H new ATOM 0 HD13 LEU A 482 -14.820 5.747 -12.849 1.00 0.00 H new ATOM 0 HD21 LEU A 482 -15.966 3.507 -14.600 1.00 0.00 H new ATOM 0 HD22 LEU A 482 -16.396 3.808 -12.900 1.00 0.00 H new ATOM 0 HD23 LEU A 482 -17.671 3.728 -14.139 1.00 0.00 H new ATOM 1011 N GLU A 483 -18.248 9.269 -11.723 1.00 0.00 N ATOM 1012 CA GLU A 483 -19.370 10.053 -11.122 1.00 0.00 C ATOM 1013 C GLU A 483 -19.662 11.295 -11.972 1.00 0.00 C ATOM 1014 O GLU A 483 -18.778 11.875 -12.573 1.00 0.00 O ATOM 1015 CB GLU A 483 -18.998 10.477 -9.696 1.00 0.00 C ATOM 1016 CG GLU A 483 -17.782 11.414 -9.721 1.00 0.00 C ATOM 1017 CD GLU A 483 -17.365 11.748 -8.285 1.00 0.00 C ATOM 1018 OE1 GLU A 483 -18.236 11.806 -7.434 1.00 0.00 O ATOM 1019 OE2 GLU A 483 -16.180 11.933 -8.061 1.00 0.00 O ATOM 0 H GLU A 483 -17.362 9.330 -11.221 1.00 0.00 H new ATOM 0 HA GLU A 483 -20.262 9.428 -11.092 1.00 0.00 H new ATOM 0 HB2 GLU A 483 -19.844 10.979 -9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 483 -18.775 9.596 -9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 483 -16.955 10.940 -10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 483 -18.025 12.328 -10.262 1.00 0.00 H new ATOM 1026 N HIS A 484 -20.906 11.702 -12.028 1.00 0.00 N ATOM 1027 CA HIS A 484 -21.273 12.904 -12.836 1.00 0.00 C ATOM 1028 C HIS A 484 -22.433 13.649 -12.165 1.00 0.00 C ATOM 1029 O HIS A 484 -23.363 13.053 -11.653 1.00 0.00 O ATOM 1030 CB HIS A 484 -21.680 12.466 -14.244 1.00 0.00 C ATOM 1031 CG HIS A 484 -21.756 13.668 -15.142 1.00 0.00 C ATOM 1032 ND1 HIS A 484 -22.889 14.462 -15.222 1.00 0.00 N ATOM 1033 CD2 HIS A 484 -20.844 14.230 -16.002 1.00 0.00 C ATOM 1034 CE1 HIS A 484 -22.633 15.447 -16.104 1.00 0.00 C ATOM 1035 NE2 HIS A 484 -21.399 15.353 -16.607 1.00 0.00 N ATOM 0 H HIS A 484 -21.685 11.252 -11.547 1.00 0.00 H new ATOM 0 HA HIS A 484 -20.414 13.572 -12.900 1.00 0.00 H new ATOM 0 HB2 HIS A 484 -20.957 11.751 -14.637 1.00 0.00 H new ATOM 0 HB3 HIS A 484 -22.645 11.960 -14.214 1.00 0.00 H new ATOM 0 HD2 HIS A 484 -19.847 13.856 -16.181 1.00 0.00 H new ATOM 0 HE1 HIS A 484 -23.339 16.219 -16.372 1.00 0.00 H new ATOM 0 HE2 HIS A 484 -20.959 15.972 -17.288 1.00 0.00 H new ATOM 1043 N HIS A 485 -22.370 14.953 -12.164 1.00 0.00 N ATOM 1044 CA HIS A 485 -23.444 15.773 -11.528 1.00 0.00 C ATOM 1045 C HIS A 485 -24.626 15.921 -12.495 1.00 0.00 C ATOM 1046 O HIS A 485 -25.035 17.015 -12.842 1.00 0.00 O ATOM 1047 CB HIS A 485 -22.873 17.150 -11.181 1.00 0.00 C ATOM 1048 CG HIS A 485 -23.952 18.001 -10.577 1.00 0.00 C ATOM 1049 ND1 HIS A 485 -24.648 19.081 -11.060 1.00 0.00 N flip ATOM 1050 CD2 HIS A 485 -24.444 17.770 -9.304 1.00 0.00 C flip ATOM 1051 CE1 HIS A 485 -25.561 19.514 -10.102 1.00 0.00 C flip ATOM 1052 NE2 HIS A 485 -25.396 18.688 -9.065 1.00 0.00 N flip ATOM 0 H HIS A 485 -21.612 15.492 -12.581 1.00 0.00 H new ATOM 0 HA HIS A 485 -23.796 15.284 -10.620 1.00 0.00 H new ATOM 0 HB2 HIS A 485 -22.043 17.046 -10.482 1.00 0.00 H new ATOM 0 HB3 HIS A 485 -22.477 17.628 -12.077 1.00 0.00 H new ATOM 0 HD2 HIS A 485 -24.122 16.993 -8.626 1.00 0.00 H new ATOM 0 HE1 HIS A 485 -26.253 20.339 -10.180 1.00 0.00 H new ATOM 0 HE2 HIS A 485 -25.928 18.747 -8.197 1.00 0.00 H new ATOM 1060 N HIS A 486 -25.169 14.816 -12.924 1.00 0.00 N ATOM 1061 CA HIS A 486 -26.324 14.848 -13.869 1.00 0.00 C ATOM 1062 C HIS A 486 -27.596 15.274 -13.131 1.00 0.00 C ATOM 1063 O HIS A 486 -27.781 14.989 -11.962 1.00 0.00 O ATOM 1064 CB HIS A 486 -26.518 13.453 -14.467 1.00 0.00 C ATOM 1065 CG HIS A 486 -27.522 13.517 -15.584 1.00 0.00 C ATOM 1066 ND1 HIS A 486 -28.875 13.300 -15.377 1.00 0.00 N ATOM 1067 CD2 HIS A 486 -27.386 13.778 -16.926 1.00 0.00 C ATOM 1068 CE1 HIS A 486 -29.493 13.433 -16.564 1.00 0.00 C ATOM 1069 NE2 HIS A 486 -28.632 13.723 -17.543 1.00 0.00 N ATOM 0 H HIS A 486 -24.859 13.881 -12.658 1.00 0.00 H new ATOM 0 HA HIS A 486 -26.122 15.566 -14.664 1.00 0.00 H new ATOM 0 HB2 HIS A 486 -25.568 13.071 -14.840 1.00 0.00 H new ATOM 0 HB3 HIS A 486 -26.859 12.761 -13.697 1.00 0.00 H new ATOM 0 HD2 HIS A 486 -26.453 13.993 -17.426 1.00 0.00 H new ATOM 0 HE1 HIS A 486 -30.557 13.319 -16.708 1.00 0.00 H new ATOM 0 HE2 HIS A 486 -28.842 13.872 -18.530 1.00 0.00 H new ATOM 1077 N HIS A 487 -28.468 15.959 -13.817 1.00 0.00 N ATOM 1078 CA HIS A 487 -29.738 16.419 -13.187 1.00 0.00 C ATOM 1079 C HIS A 487 -30.542 15.214 -12.694 1.00 0.00 C ATOM 1080 O HIS A 487 -31.097 15.228 -11.610 1.00 0.00 O ATOM 1081 CB HIS A 487 -30.559 17.190 -14.225 1.00 0.00 C ATOM 1082 CG HIS A 487 -29.899 18.514 -14.508 1.00 0.00 C ATOM 1083 ND1 HIS A 487 -28.888 18.652 -15.446 1.00 0.00 N ATOM 1084 CD2 HIS A 487 -30.092 19.765 -13.977 1.00 0.00 C ATOM 1085 CE1 HIS A 487 -28.512 19.946 -15.449 1.00 0.00 C ATOM 1086 NE2 HIS A 487 -29.216 20.667 -14.571 1.00 0.00 N ATOM 0 H HIS A 487 -28.354 16.222 -14.796 1.00 0.00 H new ATOM 0 HA HIS A 487 -29.510 17.065 -12.339 1.00 0.00 H new ATOM 0 HB2 HIS A 487 -30.641 16.609 -15.144 1.00 0.00 H new ATOM 0 HB3 HIS A 487 -31.573 17.349 -13.857 1.00 0.00 H new ATOM 0 HD2 HIS A 487 -30.815 20.011 -13.213 1.00 0.00 H new ATOM 0 HE1 HIS A 487 -27.737 20.351 -16.083 1.00 0.00 H new ATOM 0 HE2 HIS A 487 -29.129 21.665 -14.378 1.00 0.00 H new ATOM 1094 N HIS A 488 -30.613 14.174 -13.487 1.00 0.00 N ATOM 1095 CA HIS A 488 -31.385 12.954 -13.085 1.00 0.00 C ATOM 1096 C HIS A 488 -30.445 11.747 -13.037 1.00 0.00 C ATOM 1097 O HIS A 488 -29.853 11.359 -14.028 1.00 0.00 O ATOM 1098 CB HIS A 488 -32.503 12.710 -14.099 1.00 0.00 C ATOM 1099 CG HIS A 488 -33.396 11.601 -13.616 1.00 0.00 C ATOM 1100 ND1 HIS A 488 -34.209 11.737 -12.501 1.00 0.00 N ATOM 1101 CD2 HIS A 488 -33.619 10.332 -14.089 1.00 0.00 C ATOM 1102 CE1 HIS A 488 -34.877 10.581 -12.341 1.00 0.00 C ATOM 1103 NE2 HIS A 488 -34.554 9.689 -13.282 1.00 0.00 N ATOM 0 H HIS A 488 -30.167 14.116 -14.402 1.00 0.00 H new ATOM 0 HA HIS A 488 -31.822 13.101 -12.097 1.00 0.00 H new ATOM 0 HB2 HIS A 488 -33.084 13.622 -14.240 1.00 0.00 H new ATOM 0 HB3 HIS A 488 -32.077 12.450 -15.068 1.00 0.00 H new ATOM 0 HD2 HIS A 488 -33.142 9.898 -14.955 1.00 0.00 H new ATOM 0 HE1 HIS A 488 -35.588 10.396 -11.549 1.00 0.00 H new ATOM 0 HE2 HIS A 488 -34.915 8.741 -13.387 1.00 0.00 H new ATOM 1111 N HIS A 489 -30.307 11.159 -11.880 1.00 0.00 N ATOM 1112 CA HIS A 489 -29.412 9.979 -11.727 1.00 0.00 C ATOM 1113 C HIS A 489 -30.149 8.711 -12.164 1.00 0.00 C ATOM 1114 O HIS A 489 -29.698 8.076 -13.104 1.00 0.00 O ATOM 1115 CB HIS A 489 -29.006 9.852 -10.256 1.00 0.00 C ATOM 1116 CG HIS A 489 -28.134 8.643 -10.079 1.00 0.00 C ATOM 1117 ND1 HIS A 489 -26.814 8.621 -10.499 1.00 0.00 N ATOM 1118 CD2 HIS A 489 -28.377 7.404 -9.539 1.00 0.00 C ATOM 1119 CE1 HIS A 489 -26.317 7.406 -10.209 1.00 0.00 C ATOM 1120 NE2 HIS A 489 -27.228 6.624 -9.624 1.00 0.00 N ATOM 1121 OXT HIS A 489 -31.153 8.393 -11.547 1.00 0.00 O ATOM 0 H HIS A 489 -30.782 11.450 -11.025 1.00 0.00 H new ATOM 0 HA HIS A 489 -28.525 10.108 -12.348 1.00 0.00 H new ATOM 0 HB2 HIS A 489 -28.473 10.748 -9.936 1.00 0.00 H new ATOM 0 HB3 HIS A 489 -29.894 9.768 -9.629 1.00 0.00 H new ATOM 0 HD2 HIS A 489 -29.317 7.084 -9.113 1.00 0.00 H new ATOM 0 HE1 HIS A 489 -25.304 7.099 -10.423 1.00 0.00 H new ATOM 0 HE2 HIS A 489 -27.107 5.662 -9.308 1.00 0.00 H new TER 1129 HIS A 489