USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 700 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 496 TYR OH : rot 130:sc= 0.171 USER MOD Set 1.2: A 505 TYR OH : rot 32:sc= 1.19 USER MOD Set 2.1: A 490 SER OG : rot -163:sc= -2.18! USER MOD Set 2.2: A 495 ASN : amide:sc= -1.58 K(o=-3.8,f=-12!) USER MOD Set 3.1: A 476 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0.025) USER MOD Set 3.2: A 497 SER OG : rot 170:sc= 0 USER MOD Set 3.3: A 499 SER OG : rot 180:sc= 0.0249 USER MOD Set 4.1: A 427 THR OG1 : rot 180:sc= -2.44! USER MOD Set 4.2: A 468 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 440 HIS : no HD1:sc= -10.7! C(o=-11!,f=-14!) USER MOD Set 5.2: A 449 THR OG1 : rot -115:sc= -0.462! USER MOD Single : A 422 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 424 ASN : amide:sc= -2.53! C(o=-2.5!,f=-3.3!) USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 429 TYR OH : rot 180:sc= -0.341 USER MOD Single : A 430 TYR OH : rot 94:sc= -0.122 USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 LYS NZ :NH3+ -176:sc= 0.411 (180deg=0.403) USER MOD Single : A 435 ASN : amide:sc= -3.65! C(o=-3.7!,f=-3.5!) USER MOD Single : A 436 SER OG : rot 180:sc= 0 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 TYR OH : rot 180:sc= -0.0734 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl 150:sc= -6.12! (180deg=-12.1!) USER MOD Single : A 457 GLN : amide:sc= -3.44 K(o=-3.4,f=-8.2!) USER MOD Single : A 462 SER OG : rot 74:sc= 1.11 USER MOD Single : A 464 TYR OH : rot 180:sc= -0.622 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 SER OG : rot 93:sc= 0.841 USER MOD Single : A 475 SER OG : rot 180:sc= 0 USER MOD Single : A 482 ASN : amide:sc= -6.32! C(o=-6.3!,f=-9.5!) USER MOD Single : A 485 ASN :FLIP amide:sc= -0.0977 F(o=-0.97,f=-0.098) USER MOD Single : A 486 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.14) USER MOD Single : A 487 ASN :FLIP amide:sc= -1.22 F(o=-4.6!,f=-1.2) USER MOD Single : A 491 ASN : amide:sc= 0.788 K(o=0.79,f=-0.082) USER MOD Single : A 492 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.7!) USER MOD Single : A 493 THR OG1 : rot -67:sc= 1.09 USER MOD Single : A 494 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 THR OG1 : rot 180:sc= -0.0402 USER MOD Single : A 503 SER OG : rot 180:sc= -1.16 USER MOD Single : A 504 THR OG1 : rot 120:sc= -1.38! USER MOD Single : A 506 THR OG1 : rot 180:sc= 0 USER MOD Single : A 509 ASN :FLIP amide:sc= -4.77! C(o=-5.4!,f=-4.8!) USER MOD Single : A 510 SER OG : rot 180:sc= 0 USER MOD Single : A 512 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 515 THR OG1 : rot 51:sc= 0.395 USER MOD Single : A 517 THR OG1 : rot 180:sc= 0 USER MOD Single : A 518 SER OG : rot 47:sc= 0.338 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 420 -14.137 -9.986 19.363 1.00 0.00 N ATOM 2 CA GLY A 420 -15.247 -10.726 18.786 1.00 0.00 C ATOM 3 C GLY A 420 -15.680 -10.112 17.453 1.00 0.00 C ATOM 4 O GLY A 420 -15.498 -10.718 16.398 1.00 0.00 O ATOM 0 HA2 GLY A 420 -14.956 -11.766 18.635 1.00 0.00 H new ATOM 0 HA3 GLY A 420 -16.088 -10.728 19.480 1.00 0.00 H new ATOM 8 N GLY A 421 -16.246 -8.918 17.544 1.00 0.00 N ATOM 9 CA GLY A 421 -16.708 -8.216 16.359 1.00 0.00 C ATOM 10 C GLY A 421 -16.135 -6.798 16.303 1.00 0.00 C ATOM 11 O GLY A 421 -16.882 -5.821 16.340 1.00 0.00 O ATOM 0 H GLY A 421 -16.395 -8.419 18.421 1.00 0.00 H new ATOM 0 HA2 GLY A 421 -16.412 -8.767 15.467 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -17.797 -8.172 16.359 1.00 0.00 H new ATOM 15 N THR A 422 -14.815 -6.730 16.215 1.00 0.00 N ATOM 16 CA THR A 422 -14.134 -5.449 16.154 1.00 0.00 C ATOM 17 C THR A 422 -13.961 -5.004 14.700 1.00 0.00 C ATOM 18 O THR A 422 -14.309 -5.740 13.777 1.00 0.00 O ATOM 19 CB THR A 422 -12.810 -5.580 16.910 1.00 0.00 C ATOM 20 OG1 THR A 422 -12.280 -4.258 16.916 1.00 0.00 O ATOM 21 CG2 THR A 422 -11.771 -6.394 16.134 1.00 0.00 C ATOM 0 H THR A 422 -14.199 -7.542 16.184 1.00 0.00 H new ATOM 0 HA THR A 422 -14.723 -4.666 16.633 1.00 0.00 H new ATOM 0 HB THR A 422 -12.990 -6.048 17.878 1.00 0.00 H new ATOM 0 HG1 THR A 422 -11.421 -4.252 17.389 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.850 -6.457 16.714 1.00 0.00 H new ATOM 0 HG22 THR A 422 -12.156 -7.398 15.954 1.00 0.00 H new ATOM 0 HG23 THR A 422 -11.566 -5.908 15.180 1.00 0.00 H new ATOM 29 N GLY A 423 -13.425 -3.803 14.541 1.00 0.00 N ATOM 30 CA GLY A 423 -13.203 -3.252 13.215 1.00 0.00 C ATOM 31 C GLY A 423 -11.994 -2.315 13.206 1.00 0.00 C ATOM 32 O GLY A 423 -12.061 -1.204 13.732 1.00 0.00 O ATOM 0 H GLY A 423 -13.138 -3.196 15.309 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -13.045 -4.062 12.503 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -14.091 -2.709 12.890 1.00 0.00 H new ATOM 36 N ASN A 424 -10.916 -2.796 12.604 1.00 0.00 N ATOM 37 CA ASN A 424 -9.694 -2.015 12.520 1.00 0.00 C ATOM 38 C ASN A 424 -9.532 -1.480 11.096 1.00 0.00 C ATOM 39 O ASN A 424 -10.153 -1.989 10.164 1.00 0.00 O ATOM 40 CB ASN A 424 -8.469 -2.872 12.846 1.00 0.00 C ATOM 41 CG ASN A 424 -8.095 -2.754 14.325 1.00 0.00 C ATOM 42 OD1 ASN A 424 -7.365 -1.868 14.738 1.00 0.00 O ATOM 43 ND2 ASN A 424 -8.634 -3.694 15.096 1.00 0.00 N ATOM 0 H ASN A 424 -10.864 -3.717 12.170 1.00 0.00 H new ATOM 0 HA ASN A 424 -9.765 -1.199 13.240 1.00 0.00 H new ATOM 0 HB2 ASN A 424 -8.674 -3.914 12.601 1.00 0.00 H new ATOM 0 HB3 ASN A 424 -7.627 -2.559 12.228 1.00 0.00 H new ATOM 0 HD21 ASN A 424 -8.445 -3.702 16.098 1.00 0.00 H new ATOM 0 HD22 ASN A 424 -9.237 -4.407 14.685 1.00 0.00 H new ATOM 50 N LYS A 425 -8.694 -0.462 10.972 1.00 0.00 N ATOM 51 CA LYS A 425 -8.443 0.147 9.677 1.00 0.00 C ATOM 52 C LYS A 425 -6.933 0.233 9.442 1.00 0.00 C ATOM 53 O LYS A 425 -6.162 0.381 10.389 1.00 0.00 O ATOM 54 CB LYS A 425 -9.159 1.496 9.571 1.00 0.00 C ATOM 55 CG LYS A 425 -9.245 1.958 8.114 1.00 0.00 C ATOM 56 CD LYS A 425 -10.677 1.847 7.588 1.00 0.00 C ATOM 57 CE LYS A 425 -11.434 3.163 7.779 1.00 0.00 C ATOM 58 NZ LYS A 425 -12.386 3.379 6.666 1.00 0.00 N ATOM 0 H LYS A 425 -8.180 -0.043 11.747 1.00 0.00 H new ATOM 0 HA LYS A 425 -8.856 -0.471 8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -10.162 1.413 9.990 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -8.627 2.242 10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -8.904 2.990 8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -8.579 1.354 7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -10.661 1.583 6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -11.199 1.044 8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -11.971 3.146 8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -10.728 3.992 7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -12.892 4.276 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -11.866 3.416 5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -13.071 2.597 6.638 1.00 0.00 H new ATOM 71 N VAL A 426 -6.557 0.135 8.176 1.00 0.00 N ATOM 72 CA VAL A 426 -5.154 0.199 7.805 1.00 0.00 C ATOM 73 C VAL A 426 -4.975 1.214 6.675 1.00 0.00 C ATOM 74 O VAL A 426 -5.561 1.066 5.604 1.00 0.00 O ATOM 75 CB VAL A 426 -4.645 -1.197 7.440 1.00 0.00 C ATOM 76 CG1 VAL A 426 -3.116 -1.226 7.380 1.00 0.00 C ATOM 77 CG2 VAL A 426 -5.175 -2.247 8.419 1.00 0.00 C ATOM 0 H VAL A 426 -7.200 0.012 7.394 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.552 0.540 8.647 1.00 0.00 H new ATOM 0 HB VAL A 426 -5.024 -1.442 6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -2.781 -2.230 7.119 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -2.768 -0.520 6.626 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -2.708 -0.949 8.352 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -4.798 -3.230 8.137 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -4.840 -2.006 9.428 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -6.265 -2.254 8.390 1.00 0.00 H new ATOM 87 N THR A 427 -4.163 2.224 6.952 1.00 0.00 N ATOM 88 CA THR A 427 -3.899 3.264 5.973 1.00 0.00 C ATOM 89 C THR A 427 -2.481 3.126 5.417 1.00 0.00 C ATOM 90 O THR A 427 -1.532 2.916 6.171 1.00 0.00 O ATOM 91 CB THR A 427 -4.163 4.617 6.637 1.00 0.00 C ATOM 92 OG1 THR A 427 -5.571 4.626 6.858 1.00 0.00 O ATOM 93 CG2 THR A 427 -3.928 5.792 5.685 1.00 0.00 C ATOM 0 H THR A 427 -3.679 2.344 7.842 1.00 0.00 H new ATOM 0 HA THR A 427 -4.561 3.174 5.112 1.00 0.00 H new ATOM 0 HB THR A 427 -3.521 4.724 7.511 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.829 5.468 7.288 1.00 0.00 H new ATOM 0 HG21 THR A 427 -4.129 6.728 6.206 1.00 0.00 H new ATOM 0 HG22 THR A 427 -2.893 5.782 5.343 1.00 0.00 H new ATOM 0 HG23 THR A 427 -4.594 5.704 4.827 1.00 0.00 H new ATOM 101 N ILE A 428 -2.380 3.251 4.102 1.00 0.00 N ATOM 102 CA ILE A 428 -1.093 3.143 3.436 1.00 0.00 C ATOM 103 C ILE A 428 -0.935 4.302 2.450 1.00 0.00 C ATOM 104 O ILE A 428 -1.745 4.460 1.537 1.00 0.00 O ATOM 105 CB ILE A 428 -0.936 1.763 2.793 1.00 0.00 C ATOM 106 CG1 ILE A 428 -0.467 0.730 3.820 1.00 0.00 C ATOM 107 CG2 ILE A 428 -0.008 1.826 1.579 1.00 0.00 C ATOM 108 CD1 ILE A 428 -1.587 -0.256 4.157 1.00 0.00 C ATOM 0 H ILE A 428 -3.169 3.426 3.479 1.00 0.00 H new ATOM 0 HA ILE A 428 -0.282 3.226 4.159 1.00 0.00 H new ATOM 0 HB ILE A 428 -1.913 1.440 2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.394 0.188 3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 428 -0.139 1.237 4.727 1.00 0.00 H new ATOM 0 HG21 ILE A 428 0.086 0.832 1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 428 -0.423 2.511 0.839 1.00 0.00 H new ATOM 0 HG23 ILE A 428 0.975 2.180 1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 428 -1.227 -0.979 4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 428 -2.437 0.287 4.571 1.00 0.00 H new ATOM 0 HD13 ILE A 428 -1.896 -0.779 3.252 1.00 0.00 H new ATOM 120 N TYR A 429 0.114 5.083 2.667 1.00 0.00 N ATOM 121 CA TYR A 429 0.388 6.223 1.808 1.00 0.00 C ATOM 122 C TYR A 429 1.694 6.026 1.036 1.00 0.00 C ATOM 123 O TYR A 429 2.770 5.978 1.630 1.00 0.00 O ATOM 124 CB TYR A 429 0.538 7.426 2.741 1.00 0.00 C ATOM 125 CG TYR A 429 -0.758 7.832 3.447 1.00 0.00 C ATOM 126 CD1 TYR A 429 -1.946 7.212 3.117 1.00 0.00 C ATOM 127 CD2 TYR A 429 -0.739 8.818 4.412 1.00 0.00 C ATOM 128 CE1 TYR A 429 -3.166 7.593 3.781 1.00 0.00 C ATOM 129 CE2 TYR A 429 -1.958 9.199 5.076 1.00 0.00 C ATOM 130 CZ TYR A 429 -3.112 8.568 4.727 1.00 0.00 C ATOM 131 OH TYR A 429 -4.263 8.929 5.354 1.00 0.00 O ATOM 0 H TYR A 429 0.784 4.949 3.425 1.00 0.00 H new ATOM 0 HA TYR A 429 -0.411 6.356 1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 429 1.293 7.197 3.493 1.00 0.00 H new ATOM 0 HB3 TYR A 429 0.908 8.275 2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 429 -1.961 6.441 2.361 1.00 0.00 H new ATOM 0 HD2 TYR A 429 0.191 9.304 4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 429 -4.102 7.115 3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 429 -1.957 9.968 5.834 1.00 0.00 H new ATOM 0 HH TYR A 429 -4.073 9.636 6.006 1.00 0.00 H new ATOM 141 N TYR A 430 1.557 5.917 -0.277 1.00 0.00 N ATOM 142 CA TYR A 430 2.712 5.726 -1.137 1.00 0.00 C ATOM 143 C TYR A 430 3.031 7.002 -1.919 1.00 0.00 C ATOM 144 O TYR A 430 2.125 7.689 -2.389 1.00 0.00 O ATOM 145 CB TYR A 430 2.326 4.621 -2.123 1.00 0.00 C ATOM 146 CG TYR A 430 3.307 4.454 -3.285 1.00 0.00 C ATOM 147 CD1 TYR A 430 4.662 4.365 -3.038 1.00 0.00 C ATOM 148 CD2 TYR A 430 2.836 4.391 -4.581 1.00 0.00 C ATOM 149 CE1 TYR A 430 5.585 4.208 -4.132 1.00 0.00 C ATOM 150 CE2 TYR A 430 3.759 4.234 -5.675 1.00 0.00 C ATOM 151 CZ TYR A 430 5.088 4.150 -5.397 1.00 0.00 C ATOM 152 OH TYR A 430 5.959 4.001 -6.430 1.00 0.00 O ATOM 0 H TYR A 430 0.663 5.957 -0.766 1.00 0.00 H new ATOM 0 HA TYR A 430 3.592 5.471 -0.546 1.00 0.00 H new ATOM 0 HB2 TYR A 430 2.253 3.676 -1.584 1.00 0.00 H new ATOM 0 HB3 TYR A 430 1.336 4.836 -2.525 1.00 0.00 H new ATOM 0 HD1 TYR A 430 5.030 4.413 -2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 430 1.776 4.459 -4.774 1.00 0.00 H new ATOM 0 HE1 TYR A 430 6.648 4.138 -3.952 1.00 0.00 H new ATOM 0 HE2 TYR A 430 3.404 4.184 -6.694 1.00 0.00 H new ATOM 0 HH TYR A 430 6.046 3.050 -6.650 1.00 0.00 H new ATOM 162 N LYS A 431 4.321 7.280 -2.035 1.00 0.00 N ATOM 163 CA LYS A 431 4.770 8.461 -2.751 1.00 0.00 C ATOM 164 C LYS A 431 4.395 8.330 -4.229 1.00 0.00 C ATOM 165 O LYS A 431 4.494 7.248 -4.804 1.00 0.00 O ATOM 166 CB LYS A 431 6.264 8.696 -2.515 1.00 0.00 C ATOM 167 CG LYS A 431 6.895 9.442 -3.693 1.00 0.00 C ATOM 168 CD LYS A 431 7.987 10.400 -3.213 1.00 0.00 C ATOM 169 CE LYS A 431 8.229 11.511 -4.236 1.00 0.00 C ATOM 170 NZ LYS A 431 8.582 12.776 -3.554 1.00 0.00 N ATOM 0 H LYS A 431 5.070 6.707 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 431 4.267 9.350 -2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 431 6.405 9.270 -1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 431 6.768 7.740 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 431 7.318 8.726 -4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 431 6.127 10.000 -4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 431 7.698 10.837 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 431 8.912 9.848 -3.044 1.00 0.00 H new ATOM 0 HE2 LYS A 431 9.031 11.220 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 431 7.335 11.655 -4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 8.743 13.520 -4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 7.804 13.060 -2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 9.447 12.639 -2.994 1.00 0.00 H new ATOM 183 N LYS A 432 3.971 9.448 -4.800 1.00 0.00 N ATOM 184 CA LYS A 432 3.580 9.471 -6.199 1.00 0.00 C ATOM 185 C LYS A 432 4.833 9.426 -7.076 1.00 0.00 C ATOM 186 O LYS A 432 5.522 10.434 -7.232 1.00 0.00 O ATOM 187 CB LYS A 432 2.674 10.671 -6.482 1.00 0.00 C ATOM 188 CG LYS A 432 1.754 10.395 -7.674 1.00 0.00 C ATOM 189 CD LYS A 432 0.583 11.379 -7.702 1.00 0.00 C ATOM 190 CE LYS A 432 -0.580 10.872 -6.846 1.00 0.00 C ATOM 191 NZ LYS A 432 -1.833 10.852 -7.634 1.00 0.00 N ATOM 0 H LYS A 432 3.890 10.344 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 432 2.988 8.589 -6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 432 2.075 10.895 -5.600 1.00 0.00 H new ATOM 0 HB3 LYS A 432 3.284 11.552 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 432 2.321 10.473 -8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 432 1.375 9.375 -7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 432 0.912 12.352 -7.336 1.00 0.00 H new ATOM 0 HD3 LYS A 432 0.248 11.522 -8.729 1.00 0.00 H new ATOM 0 HE2 LYS A 432 -0.359 9.870 -6.478 1.00 0.00 H new ATOM 0 HE3 LYS A 432 -0.703 11.512 -5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 432 -2.624 10.571 -7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 432 -2.015 11.800 -8.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 432 -1.741 10.171 -8.415 1.00 0.00 H new ATOM 204 N GLY A 433 5.091 8.249 -7.625 1.00 0.00 N ATOM 205 CA GLY A 433 6.249 8.059 -8.481 1.00 0.00 C ATOM 206 C GLY A 433 5.828 7.612 -9.882 1.00 0.00 C ATOM 207 O GLY A 433 6.669 7.229 -10.695 1.00 0.00 O ATOM 0 H GLY A 433 4.517 7.416 -7.494 1.00 0.00 H new ATOM 0 HA2 GLY A 433 6.814 8.989 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 433 6.912 7.314 -8.042 1.00 0.00 H new ATOM 211 N PHE A 434 4.527 7.674 -10.123 1.00 0.00 N ATOM 212 CA PHE A 434 3.984 7.279 -11.411 1.00 0.00 C ATOM 213 C PHE A 434 2.831 8.197 -11.825 1.00 0.00 C ATOM 214 O PHE A 434 2.909 8.874 -12.849 1.00 0.00 O ATOM 215 CB PHE A 434 3.453 5.853 -11.255 1.00 0.00 C ATOM 216 CG PHE A 434 4.492 4.767 -11.545 1.00 0.00 C ATOM 217 CD1 PHE A 434 4.779 4.426 -12.830 1.00 0.00 C ATOM 218 CD2 PHE A 434 5.128 4.144 -10.517 1.00 0.00 C ATOM 219 CE1 PHE A 434 5.743 3.419 -13.098 1.00 0.00 C ATOM 220 CE2 PHE A 434 6.093 3.136 -10.786 1.00 0.00 C ATOM 221 CZ PHE A 434 6.379 2.795 -12.071 1.00 0.00 C ATOM 0 H PHE A 434 3.832 7.992 -9.447 1.00 0.00 H new ATOM 0 HA PHE A 434 4.758 7.344 -12.176 1.00 0.00 H new ATOM 0 HB2 PHE A 434 3.081 5.724 -10.239 1.00 0.00 H new ATOM 0 HB3 PHE A 434 2.604 5.717 -11.925 1.00 0.00 H new ATOM 0 HD1 PHE A 434 4.274 4.921 -13.646 1.00 0.00 H new ATOM 0 HD2 PHE A 434 4.900 4.415 -9.497 1.00 0.00 H new ATOM 0 HE1 PHE A 434 5.971 3.148 -14.118 1.00 0.00 H new ATOM 0 HE2 PHE A 434 6.599 2.641 -9.970 1.00 0.00 H new ATOM 0 HZ PHE A 434 7.112 2.028 -12.276 1.00 0.00 H new ATOM 231 N ASN A 435 1.789 8.190 -11.007 1.00 0.00 N ATOM 232 CA ASN A 435 0.622 9.013 -11.276 1.00 0.00 C ATOM 233 C ASN A 435 -0.629 8.300 -10.760 1.00 0.00 C ATOM 234 O ASN A 435 -1.331 8.818 -9.893 1.00 0.00 O ATOM 235 CB ASN A 435 0.447 9.248 -12.778 1.00 0.00 C ATOM 236 CG ASN A 435 1.080 10.574 -13.203 1.00 0.00 C ATOM 237 OD1 ASN A 435 0.922 11.601 -12.563 1.00 0.00 O ATOM 238 ND2 ASN A 435 1.805 10.495 -14.316 1.00 0.00 N ATOM 0 H ASN A 435 1.728 7.628 -10.158 1.00 0.00 H new ATOM 0 HA ASN A 435 0.763 9.971 -10.776 1.00 0.00 H new ATOM 0 HB2 ASN A 435 0.903 8.429 -13.333 1.00 0.00 H new ATOM 0 HB3 ASN A 435 -0.614 9.251 -13.028 1.00 0.00 H new ATOM 0 HD21 ASN A 435 2.270 11.326 -14.682 1.00 0.00 H new ATOM 0 HD22 ASN A 435 1.896 9.603 -14.803 1.00 0.00 H new ATOM 245 N SER A 436 -0.871 7.121 -11.316 1.00 0.00 N ATOM 246 CA SER A 436 -2.026 6.332 -10.923 1.00 0.00 C ATOM 247 C SER A 436 -1.606 4.884 -10.661 1.00 0.00 C ATOM 248 O SER A 436 -2.065 3.968 -11.341 1.00 0.00 O ATOM 249 CB SER A 436 -3.118 6.382 -11.993 1.00 0.00 C ATOM 250 OG SER A 436 -3.606 7.705 -12.196 1.00 0.00 O ATOM 0 H SER A 436 -0.287 6.694 -12.035 1.00 0.00 H new ATOM 0 HA SER A 436 -2.434 6.757 -10.006 1.00 0.00 H new ATOM 0 HB2 SER A 436 -2.724 5.993 -12.932 1.00 0.00 H new ATOM 0 HB3 SER A 436 -3.943 5.732 -11.700 1.00 0.00 H new ATOM 0 HG SER A 436 -4.300 7.695 -12.888 1.00 0.00 H new ATOM 256 N PRO A 437 -0.714 4.719 -9.647 1.00 0.00 N ATOM 257 CA PRO A 437 -0.227 3.399 -9.287 1.00 0.00 C ATOM 258 C PRO A 437 -1.293 2.610 -8.524 1.00 0.00 C ATOM 259 O PRO A 437 -2.140 3.195 -7.850 1.00 0.00 O ATOM 260 CB PRO A 437 1.026 3.652 -8.465 1.00 0.00 C ATOM 261 CG PRO A 437 0.936 5.098 -8.004 1.00 0.00 C ATOM 262 CD PRO A 437 -0.149 5.781 -8.820 1.00 0.00 C ATOM 0 HA PRO A 437 0.001 2.784 -10.157 1.00 0.00 H new ATOM 0 HB2 PRO A 437 1.079 2.973 -7.614 1.00 0.00 H new ATOM 0 HB3 PRO A 437 1.924 3.487 -9.060 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.701 5.146 -6.941 1.00 0.00 H new ATOM 0 HG3 PRO A 437 1.892 5.603 -8.142 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -0.907 6.227 -8.176 1.00 0.00 H new ATOM 0 HD3 PRO A 437 0.262 6.584 -9.432 1.00 0.00 H new ATOM 270 N TYR A 438 -1.217 1.294 -8.656 1.00 0.00 N ATOM 271 CA TYR A 438 -2.165 0.419 -7.988 1.00 0.00 C ATOM 272 C TYR A 438 -1.518 -0.279 -6.790 1.00 0.00 C ATOM 273 O TYR A 438 -0.338 -0.625 -6.831 1.00 0.00 O ATOM 274 CB TYR A 438 -2.566 -0.636 -9.021 1.00 0.00 C ATOM 275 CG TYR A 438 -2.920 -0.060 -10.393 1.00 0.00 C ATOM 276 CD1 TYR A 438 -1.918 0.267 -11.284 1.00 0.00 C ATOM 277 CD2 TYR A 438 -4.242 0.134 -10.740 1.00 0.00 C ATOM 278 CE1 TYR A 438 -2.251 0.809 -12.576 1.00 0.00 C ATOM 279 CE2 TYR A 438 -4.575 0.676 -12.032 1.00 0.00 C ATOM 280 CZ TYR A 438 -3.563 0.987 -12.886 1.00 0.00 C ATOM 281 OH TYR A 438 -3.878 1.500 -14.106 1.00 0.00 O ATOM 0 H TYR A 438 -0.513 0.812 -9.216 1.00 0.00 H new ATOM 0 HA TYR A 438 -3.018 0.989 -7.619 1.00 0.00 H new ATOM 0 HB2 TYR A 438 -1.747 -1.346 -9.137 1.00 0.00 H new ATOM 0 HB3 TYR A 438 -3.421 -1.195 -8.641 1.00 0.00 H new ATOM 0 HD1 TYR A 438 -0.884 0.116 -11.012 1.00 0.00 H new ATOM 0 HD2 TYR A 438 -5.026 -0.121 -10.043 1.00 0.00 H new ATOM 0 HE1 TYR A 438 -1.476 1.068 -13.283 1.00 0.00 H new ATOM 0 HE2 TYR A 438 -5.605 0.832 -12.316 1.00 0.00 H new ATOM 0 HH TYR A 438 -4.852 1.571 -14.190 1.00 0.00 H new ATOM 291 N ILE A 439 -2.318 -0.465 -5.750 1.00 0.00 N ATOM 292 CA ILE A 439 -1.837 -1.114 -4.542 1.00 0.00 C ATOM 293 C ILE A 439 -2.777 -2.265 -4.179 1.00 0.00 C ATOM 294 O ILE A 439 -3.962 -2.049 -3.930 1.00 0.00 O ATOM 295 CB ILE A 439 -1.656 -0.091 -3.420 1.00 0.00 C ATOM 296 CG1 ILE A 439 -0.508 -0.493 -2.491 1.00 0.00 C ATOM 297 CG2 ILE A 439 -2.964 0.122 -2.655 1.00 0.00 C ATOM 298 CD1 ILE A 439 -0.885 -1.716 -1.653 1.00 0.00 C ATOM 0 H ILE A 439 -3.296 -0.178 -5.719 1.00 0.00 H new ATOM 0 HA ILE A 439 -0.851 -1.547 -4.709 1.00 0.00 H new ATOM 0 HB ILE A 439 -1.387 0.865 -3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 439 0.382 -0.712 -3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 439 -0.258 0.340 -1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 439 -2.807 0.854 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 439 -3.730 0.486 -3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 439 -3.287 -0.822 -2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 439 -0.052 -1.981 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 439 -1.761 -1.486 -1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 439 -1.110 -2.554 -2.313 1.00 0.00 H new ATOM 310 N HIS A 440 -2.213 -3.464 -4.160 1.00 0.00 N ATOM 311 CA HIS A 440 -2.986 -4.650 -3.832 1.00 0.00 C ATOM 312 C HIS A 440 -2.896 -4.922 -2.329 1.00 0.00 C ATOM 313 O HIS A 440 -1.808 -5.137 -1.798 1.00 0.00 O ATOM 314 CB HIS A 440 -2.537 -5.843 -4.679 1.00 0.00 C ATOM 315 CG HIS A 440 -3.672 -6.711 -5.168 1.00 0.00 C ATOM 316 ND1 HIS A 440 -3.612 -7.425 -6.352 1.00 0.00 N ATOM 317 CD2 HIS A 440 -4.894 -6.971 -4.622 1.00 0.00 C ATOM 318 CE1 HIS A 440 -4.753 -8.082 -6.501 1.00 0.00 C ATOM 319 NE2 HIS A 440 -5.546 -7.799 -5.428 1.00 0.00 N ATOM 0 H HIS A 440 -1.230 -3.640 -4.366 1.00 0.00 H new ATOM 0 HA HIS A 440 -4.036 -4.482 -4.073 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -1.978 -5.475 -5.539 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -1.852 -6.455 -4.092 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -5.268 -6.571 -3.691 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -5.010 -8.728 -7.327 1.00 0.00 H new ATOM 0 HE2 HIS A 440 -6.486 -8.164 -5.271 1.00 0.00 H new ATOM 327 N TYR A 441 -4.054 -4.903 -1.686 1.00 0.00 N ATOM 328 CA TYR A 441 -4.120 -5.144 -0.255 1.00 0.00 C ATOM 329 C TYR A 441 -5.034 -6.330 0.060 1.00 0.00 C ATOM 330 O TYR A 441 -5.976 -6.606 -0.682 1.00 0.00 O ATOM 331 CB TYR A 441 -4.717 -3.877 0.359 1.00 0.00 C ATOM 332 CG TYR A 441 -6.158 -3.595 -0.073 1.00 0.00 C ATOM 333 CD1 TYR A 441 -7.176 -4.433 0.332 1.00 0.00 C ATOM 334 CD2 TYR A 441 -6.437 -2.503 -0.870 1.00 0.00 C ATOM 335 CE1 TYR A 441 -8.532 -4.167 -0.075 1.00 0.00 C ATOM 336 CE2 TYR A 441 -7.793 -2.238 -1.277 1.00 0.00 C ATOM 337 CZ TYR A 441 -8.773 -3.083 -0.860 1.00 0.00 C ATOM 338 OH TYR A 441 -10.053 -2.832 -1.245 1.00 0.00 O ATOM 0 H TYR A 441 -4.955 -4.724 -2.130 1.00 0.00 H new ATOM 0 HA TYR A 441 -3.131 -5.374 0.141 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -4.684 -3.962 1.445 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -4.094 -3.025 0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 441 -6.957 -5.288 0.954 1.00 0.00 H new ATOM 0 HD2 TYR A 441 -5.639 -1.848 -1.188 1.00 0.00 H new ATOM 0 HE1 TYR A 441 -9.339 -4.814 0.236 1.00 0.00 H new ATOM 0 HE2 TYR A 441 -8.026 -1.387 -1.900 1.00 0.00 H new ATOM 0 HH TYR A 441 -10.075 -2.026 -1.802 1.00 0.00 H new ATOM 348 N ARG A 442 -4.725 -6.998 1.161 1.00 0.00 N ATOM 349 CA ARG A 442 -5.507 -8.148 1.583 1.00 0.00 C ATOM 350 C ARG A 442 -5.384 -8.348 3.095 1.00 0.00 C ATOM 351 O ARG A 442 -4.279 -8.478 3.620 1.00 0.00 O ATOM 352 CB ARG A 442 -5.046 -9.420 0.869 1.00 0.00 C ATOM 353 CG ARG A 442 -5.483 -10.669 1.636 1.00 0.00 C ATOM 354 CD ARG A 442 -4.967 -11.939 0.956 1.00 0.00 C ATOM 355 NE ARG A 442 -4.208 -12.760 1.926 1.00 0.00 N ATOM 356 CZ ARG A 442 -3.684 -13.972 1.645 1.00 0.00 C ATOM 357 NH1 ARG A 442 -3.834 -14.515 0.418 1.00 0.00 N ATOM 358 NH2 ARG A 442 -3.024 -14.618 2.587 1.00 0.00 N ATOM 0 H ARG A 442 -3.944 -6.765 1.774 1.00 0.00 H new ATOM 0 HA ARG A 442 -6.547 -7.955 1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.459 -9.445 -0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -3.961 -9.412 0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -5.108 -10.622 2.658 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -6.571 -10.701 1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -5.803 -12.513 0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -4.329 -11.676 0.112 1.00 0.00 H new ATOM 0 HE ARG A 442 -4.072 -12.387 2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -4.346 -14.009 -0.304 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -3.435 -15.431 0.214 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -2.916 -14.201 3.511 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -2.622 -15.535 2.391 1.00 0.00 H new ATOM 371 N PRO A 443 -6.564 -8.366 3.770 1.00 0.00 N ATOM 372 CA PRO A 443 -6.600 -8.547 5.211 1.00 0.00 C ATOM 373 C PRO A 443 -6.323 -10.004 5.588 1.00 0.00 C ATOM 374 O PRO A 443 -6.877 -10.921 4.983 1.00 0.00 O ATOM 375 CB PRO A 443 -7.982 -8.077 5.634 1.00 0.00 C ATOM 376 CG PRO A 443 -8.829 -8.088 4.372 1.00 0.00 C ATOM 377 CD PRO A 443 -7.892 -8.214 3.182 1.00 0.00 C ATOM 0 HA PRO A 443 -5.826 -7.977 5.725 1.00 0.00 H new ATOM 0 HB2 PRO A 443 -8.403 -8.736 6.393 1.00 0.00 H new ATOM 0 HB3 PRO A 443 -7.939 -7.078 6.067 1.00 0.00 H new ATOM 0 HG2 PRO A 443 -9.534 -8.919 4.393 1.00 0.00 H new ATOM 0 HG3 PRO A 443 -9.417 -7.173 4.299 1.00 0.00 H new ATOM 0 HD2 PRO A 443 -8.152 -9.073 2.563 1.00 0.00 H new ATOM 0 HD3 PRO A 443 -7.943 -7.333 2.543 1.00 0.00 H new ATOM 385 N ALA A 444 -5.465 -10.172 6.584 1.00 0.00 N ATOM 386 CA ALA A 444 -5.108 -11.502 7.047 1.00 0.00 C ATOM 387 C ALA A 444 -6.383 -12.292 7.348 1.00 0.00 C ATOM 388 O ALA A 444 -6.985 -12.124 8.407 1.00 0.00 O ATOM 389 CB ALA A 444 -4.190 -11.388 8.267 1.00 0.00 C ATOM 0 H ALA A 444 -5.007 -9.409 7.083 1.00 0.00 H new ATOM 0 HA ALA A 444 -4.560 -12.043 6.276 1.00 0.00 H new ATOM 0 HB1 ALA A 444 -3.922 -12.386 8.615 1.00 0.00 H new ATOM 0 HB2 ALA A 444 -3.286 -10.844 7.993 1.00 0.00 H new ATOM 0 HB3 ALA A 444 -4.708 -10.853 9.063 1.00 0.00 H new ATOM 395 N GLY A 445 -6.755 -13.136 6.398 1.00 0.00 N ATOM 396 CA GLY A 445 -7.948 -13.953 6.548 1.00 0.00 C ATOM 397 C GLY A 445 -9.069 -13.460 5.631 1.00 0.00 C ATOM 398 O GLY A 445 -10.201 -13.932 5.720 1.00 0.00 O ATOM 0 H GLY A 445 -6.252 -13.272 5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.713 -14.992 6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -8.283 -13.926 7.585 1.00 0.00 H new ATOM 402 N GLY A 446 -8.715 -12.516 4.771 1.00 0.00 N ATOM 403 CA GLY A 446 -9.677 -11.953 3.839 1.00 0.00 C ATOM 404 C GLY A 446 -9.367 -12.384 2.404 1.00 0.00 C ATOM 405 O GLY A 446 -8.793 -13.449 2.182 1.00 0.00 O ATOM 0 H GLY A 446 -7.775 -12.127 4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -10.683 -12.275 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -9.661 -10.865 3.907 1.00 0.00 H new ATOM 409 N SER A 447 -9.760 -11.534 1.467 1.00 0.00 N ATOM 410 CA SER A 447 -9.531 -11.813 0.059 1.00 0.00 C ATOM 411 C SER A 447 -8.709 -10.688 -0.571 1.00 0.00 C ATOM 412 O SER A 447 -8.683 -9.570 -0.057 1.00 0.00 O ATOM 413 CB SER A 447 -10.854 -11.988 -0.689 1.00 0.00 C ATOM 414 OG SER A 447 -11.976 -11.657 0.124 1.00 0.00 O ATOM 0 H SER A 447 -10.236 -10.652 1.655 1.00 0.00 H new ATOM 0 HA SER A 447 -8.974 -12.747 -0.019 1.00 0.00 H new ATOM 0 HB2 SER A 447 -10.853 -11.358 -1.579 1.00 0.00 H new ATOM 0 HB3 SER A 447 -10.944 -13.020 -1.029 1.00 0.00 H new ATOM 0 HG SER A 447 -12.801 -11.780 -0.391 1.00 0.00 H new ATOM 420 N TRP A 448 -8.057 -11.021 -1.675 1.00 0.00 N ATOM 421 CA TRP A 448 -7.236 -10.052 -2.381 1.00 0.00 C ATOM 422 C TRP A 448 -8.169 -9.088 -3.117 1.00 0.00 C ATOM 423 O TRP A 448 -9.314 -9.429 -3.409 1.00 0.00 O ATOM 424 CB TRP A 448 -6.242 -10.750 -3.312 1.00 0.00 C ATOM 425 CG TRP A 448 -4.923 -11.133 -2.638 1.00 0.00 C ATOM 426 CD1 TRP A 448 -4.470 -12.361 -2.350 1.00 0.00 C ATOM 427 CD2 TRP A 448 -3.897 -10.228 -2.179 1.00 0.00 C ATOM 428 NE1 TRP A 448 -3.233 -12.314 -1.740 1.00 0.00 N ATOM 429 CE2 TRP A 448 -2.873 -10.975 -1.633 1.00 0.00 C ATOM 430 CE3 TRP A 448 -3.836 -8.824 -2.222 1.00 0.00 C ATOM 431 CZ2 TRP A 448 -1.715 -10.407 -1.089 1.00 0.00 C ATOM 432 CZ3 TRP A 448 -2.672 -8.272 -1.675 1.00 0.00 C ATOM 433 CH2 TRP A 448 -1.633 -9.010 -1.122 1.00 0.00 C ATOM 0 H TRP A 448 -8.081 -11.949 -2.098 1.00 0.00 H new ATOM 0 HA TRP A 448 -6.627 -9.480 -1.681 1.00 0.00 H new ATOM 0 HB2 TRP A 448 -6.707 -11.650 -3.715 1.00 0.00 H new ATOM 0 HB3 TRP A 448 -6.030 -10.095 -4.157 1.00 0.00 H new ATOM 0 HD1 TRP A 448 -5.006 -13.273 -2.568 1.00 0.00 H new ATOM 0 HE1 TRP A 448 -2.684 -13.114 -1.426 1.00 0.00 H new ATOM 0 HE3 TRP A 448 -4.625 -8.219 -2.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 -0.928 -11.014 -0.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 -2.575 -7.196 -1.683 1.00 0.00 H new ATOM 0 HH2 TRP A 448 -0.766 -8.508 -0.719 1.00 0.00 H new ATOM 444 N THR A 449 -7.644 -7.904 -3.396 1.00 0.00 N ATOM 445 CA THR A 449 -8.415 -6.888 -4.092 1.00 0.00 C ATOM 446 C THR A 449 -8.481 -7.201 -5.588 1.00 0.00 C ATOM 447 O THR A 449 -7.931 -8.204 -6.041 1.00 0.00 O ATOM 448 CB THR A 449 -7.792 -5.526 -3.782 1.00 0.00 C ATOM 449 OG1 THR A 449 -7.165 -5.711 -2.516 1.00 0.00 O ATOM 450 CG2 THR A 449 -8.844 -4.446 -3.522 1.00 0.00 C ATOM 0 H THR A 449 -6.693 -7.625 -3.152 1.00 0.00 H new ATOM 0 HA THR A 449 -9.450 -6.873 -3.750 1.00 0.00 H new ATOM 0 HB THR A 449 -7.156 -5.221 -4.613 1.00 0.00 H new ATOM 0 HG1 THR A 449 -7.601 -5.140 -1.849 1.00 0.00 H new ATOM 0 HG21 THR A 449 -8.348 -3.499 -3.307 1.00 0.00 H new ATOM 0 HG22 THR A 449 -9.475 -4.333 -4.403 1.00 0.00 H new ATOM 0 HG23 THR A 449 -9.459 -4.735 -2.670 1.00 0.00 H new ATOM 458 N ALA A 450 -9.157 -6.323 -6.314 1.00 0.00 N ATOM 459 CA ALA A 450 -9.302 -6.492 -7.750 1.00 0.00 C ATOM 460 C ALA A 450 -8.014 -6.045 -8.444 1.00 0.00 C ATOM 461 O ALA A 450 -7.813 -4.855 -8.683 1.00 0.00 O ATOM 462 CB ALA A 450 -10.526 -5.713 -8.235 1.00 0.00 C ATOM 0 H ALA A 450 -9.611 -5.492 -5.935 1.00 0.00 H new ATOM 0 HA ALA A 450 -9.464 -7.541 -7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 450 -10.635 -5.840 -9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 450 -11.418 -6.088 -7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 450 -10.399 -4.655 -8.005 1.00 0.00 H new ATOM 468 N ALA A 451 -7.174 -7.024 -8.749 1.00 0.00 N ATOM 469 CA ALA A 451 -5.910 -6.746 -9.411 1.00 0.00 C ATOM 470 C ALA A 451 -6.176 -5.979 -10.708 1.00 0.00 C ATOM 471 O ALA A 451 -7.128 -6.280 -11.427 1.00 0.00 O ATOM 472 CB ALA A 451 -5.161 -8.059 -9.653 1.00 0.00 C ATOM 0 H ALA A 451 -7.344 -8.010 -8.550 1.00 0.00 H new ATOM 0 HA ALA A 451 -5.277 -6.120 -8.782 1.00 0.00 H new ATOM 0 HB1 ALA A 451 -4.213 -7.851 -10.149 1.00 0.00 H new ATOM 0 HB2 ALA A 451 -4.971 -8.551 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 451 -5.765 -8.712 -10.283 1.00 0.00 H new ATOM 478 N PRO A 452 -5.296 -4.978 -10.974 1.00 0.00 N ATOM 479 CA PRO A 452 -4.196 -4.687 -10.069 1.00 0.00 C ATOM 480 C PRO A 452 -4.694 -3.964 -8.816 1.00 0.00 C ATOM 481 O PRO A 452 -5.266 -2.879 -8.907 1.00 0.00 O ATOM 482 CB PRO A 452 -3.222 -3.856 -10.888 1.00 0.00 C ATOM 483 CG PRO A 452 -4.019 -3.320 -12.066 1.00 0.00 C ATOM 484 CD PRO A 452 -5.324 -4.098 -12.139 1.00 0.00 C ATOM 0 HA PRO A 452 -3.711 -5.588 -9.693 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -2.808 -3.041 -10.294 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -2.382 -4.462 -11.228 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -4.216 -2.255 -11.941 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -3.455 -3.433 -12.992 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -6.185 -3.430 -12.111 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -5.394 -4.669 -13.065 1.00 0.00 H new ATOM 492 N GLY A 453 -4.457 -4.594 -7.675 1.00 0.00 N ATOM 493 CA GLY A 453 -4.874 -4.024 -6.405 1.00 0.00 C ATOM 494 C GLY A 453 -5.933 -2.940 -6.612 1.00 0.00 C ATOM 495 O GLY A 453 -6.899 -3.143 -7.347 1.00 0.00 O ATOM 0 H GLY A 453 -3.982 -5.494 -7.603 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -5.273 -4.810 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -4.011 -3.601 -5.891 1.00 0.00 H new ATOM 499 N VAL A 454 -5.717 -1.812 -5.952 1.00 0.00 N ATOM 500 CA VAL A 454 -6.641 -0.696 -6.054 1.00 0.00 C ATOM 501 C VAL A 454 -5.852 0.594 -6.288 1.00 0.00 C ATOM 502 O VAL A 454 -4.886 0.872 -5.580 1.00 0.00 O ATOM 503 CB VAL A 454 -7.529 -0.636 -4.809 1.00 0.00 C ATOM 504 CG1 VAL A 454 -6.837 0.130 -3.679 1.00 0.00 C ATOM 505 CG2 VAL A 454 -8.890 -0.020 -5.136 1.00 0.00 C ATOM 0 H VAL A 454 -4.915 -1.647 -5.344 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.308 -0.829 -6.906 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.697 -1.657 -4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.489 0.158 -2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -5.904 -0.370 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.625 1.148 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -9.502 0.011 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.750 0.993 -5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.390 -0.624 -5.893 1.00 0.00 H new ATOM 515 N LYS A 455 -6.293 1.347 -7.285 1.00 0.00 N ATOM 516 CA LYS A 455 -5.640 2.601 -7.622 1.00 0.00 C ATOM 517 C LYS A 455 -5.572 3.486 -6.376 1.00 0.00 C ATOM 518 O LYS A 455 -6.595 3.980 -5.904 1.00 0.00 O ATOM 519 CB LYS A 455 -6.337 3.265 -8.811 1.00 0.00 C ATOM 520 CG LYS A 455 -5.660 4.588 -9.174 1.00 0.00 C ATOM 521 CD LYS A 455 -6.635 5.526 -9.888 1.00 0.00 C ATOM 522 CE LYS A 455 -7.049 6.684 -8.977 1.00 0.00 C ATOM 523 NZ LYS A 455 -8.445 7.090 -9.256 1.00 0.00 N ATOM 0 H LYS A 455 -7.095 1.113 -7.871 1.00 0.00 H new ATOM 0 HA LYS A 455 -4.614 2.422 -7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -6.317 2.594 -9.670 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -7.385 3.443 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -5.284 5.068 -8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -4.799 4.396 -9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -6.171 5.918 -10.793 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -7.519 4.969 -10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -6.953 6.386 -7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -6.380 7.531 -9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -8.710 7.877 -8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -8.527 7.394 -10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -9.081 6.284 -9.088 1.00 0.00 H new ATOM 536 N MET A 456 -4.356 3.660 -5.878 1.00 0.00 N ATOM 537 CA MET A 456 -4.141 4.477 -4.696 1.00 0.00 C ATOM 538 C MET A 456 -4.728 5.877 -4.883 1.00 0.00 C ATOM 539 O MET A 456 -4.435 6.551 -5.869 1.00 0.00 O ATOM 540 CB MET A 456 -2.641 4.585 -4.416 1.00 0.00 C ATOM 541 CG MET A 456 -2.128 3.343 -3.684 1.00 0.00 C ATOM 542 SD MET A 456 -0.345 3.298 -3.734 1.00 0.00 S ATOM 543 CE MET A 456 -0.003 2.722 -2.079 1.00 0.00 C ATOM 0 H MET A 456 -3.510 3.249 -6.272 1.00 0.00 H new ATOM 0 HA MET A 456 -4.644 4.003 -3.853 1.00 0.00 H new ATOM 0 HB2 MET A 456 -2.100 4.707 -5.355 1.00 0.00 H new ATOM 0 HB3 MET A 456 -2.443 5.473 -3.816 1.00 0.00 H new ATOM 0 HG2 MET A 456 -2.471 3.353 -2.649 1.00 0.00 H new ATOM 0 HG3 MET A 456 -2.536 2.444 -4.146 1.00 0.00 H new ATOM 0 HE1 MET A 456 0.923 2.146 -2.078 1.00 0.00 H new ATOM 0 HE2 MET A 456 0.100 3.577 -1.410 1.00 0.00 H new ATOM 0 HE3 MET A 456 -0.823 2.091 -1.737 1.00 0.00 H new ATOM 553 N GLN A 457 -5.547 6.274 -3.920 1.00 0.00 N ATOM 554 CA GLN A 457 -6.179 7.581 -3.966 1.00 0.00 C ATOM 555 C GLN A 457 -5.119 8.679 -4.073 1.00 0.00 C ATOM 556 O GLN A 457 -3.923 8.404 -3.983 1.00 0.00 O ATOM 557 CB GLN A 457 -7.075 7.801 -2.746 1.00 0.00 C ATOM 558 CG GLN A 457 -7.963 6.582 -2.491 1.00 0.00 C ATOM 559 CD GLN A 457 -7.777 6.056 -1.066 1.00 0.00 C ATOM 560 OE1 GLN A 457 -7.020 6.592 -0.273 1.00 0.00 O ATOM 561 NE2 GLN A 457 -8.506 4.980 -0.787 1.00 0.00 N ATOM 0 H GLN A 457 -5.787 5.713 -3.103 1.00 0.00 H new ATOM 0 HA GLN A 457 -6.812 7.626 -4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 457 -6.459 7.996 -1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 457 -7.697 8.682 -2.901 1.00 0.00 H new ATOM 0 HG2 GLN A 457 -9.008 6.849 -2.650 1.00 0.00 H new ATOM 0 HG3 GLN A 457 -7.722 5.796 -3.207 1.00 0.00 H new ATOM 0 HE21 GLN A 457 -9.120 4.582 -1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 457 -8.452 4.553 0.138 1.00 0.00 H new ATOM 570 N ASP A 458 -5.595 9.901 -4.264 1.00 0.00 N ATOM 571 CA ASP A 458 -4.703 11.041 -4.385 1.00 0.00 C ATOM 572 C ASP A 458 -4.343 11.552 -2.988 1.00 0.00 C ATOM 573 O ASP A 458 -5.216 11.699 -2.133 1.00 0.00 O ATOM 574 CB ASP A 458 -5.372 12.186 -5.149 1.00 0.00 C ATOM 575 CG ASP A 458 -6.556 11.773 -6.026 1.00 0.00 C ATOM 576 OD1 ASP A 458 -6.392 11.052 -7.022 1.00 0.00 O ATOM 577 OD2 ASP A 458 -7.701 12.228 -5.645 1.00 0.00 O ATOM 0 H ASP A 458 -6.587 10.126 -4.338 1.00 0.00 H new ATOM 0 HA ASP A 458 -3.814 10.717 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 458 -5.714 12.931 -4.431 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -4.624 12.669 -5.778 1.00 0.00 H new ATOM 583 N ALA A 459 -3.057 11.810 -2.800 1.00 0.00 N ATOM 584 CA ALA A 459 -2.572 12.301 -1.522 1.00 0.00 C ATOM 585 C ALA A 459 -2.084 13.742 -1.685 1.00 0.00 C ATOM 586 O ALA A 459 -1.056 13.985 -2.314 1.00 0.00 O ATOM 587 CB ALA A 459 -1.475 11.370 -1.000 1.00 0.00 C ATOM 0 H ALA A 459 -2.336 11.688 -3.512 1.00 0.00 H new ATOM 0 HA ALA A 459 -3.374 12.306 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -1.111 11.738 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 459 -1.880 10.366 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 459 -0.652 11.342 -1.714 1.00 0.00 H new ATOM 593 N GLU A 460 -2.846 14.660 -1.108 1.00 0.00 N ATOM 594 CA GLU A 460 -2.505 16.070 -1.183 1.00 0.00 C ATOM 595 C GLU A 460 -1.190 16.338 -0.447 1.00 0.00 C ATOM 596 O GLU A 460 -0.549 17.364 -0.668 1.00 0.00 O ATOM 597 CB GLU A 460 -3.633 16.938 -0.622 1.00 0.00 C ATOM 598 CG GLU A 460 -3.676 16.862 0.905 1.00 0.00 C ATOM 599 CD GLU A 460 -4.852 17.667 1.462 1.00 0.00 C ATOM 600 OE1 GLU A 460 -4.641 18.687 2.135 1.00 0.00 O ATOM 601 OE2 GLU A 460 -6.018 17.200 1.171 1.00 0.00 O ATOM 0 H GLU A 460 -3.698 14.454 -0.587 1.00 0.00 H new ATOM 0 HA GLU A 460 -2.373 16.336 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.490 17.973 -0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -4.588 16.610 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -3.762 15.822 1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.742 17.243 1.318 1.00 0.00 H new ATOM 609 N ILE A 461 -0.828 15.397 0.412 1.00 0.00 N ATOM 610 CA ILE A 461 0.399 15.518 1.182 1.00 0.00 C ATOM 611 C ILE A 461 1.417 16.335 0.384 1.00 0.00 C ATOM 612 O ILE A 461 2.058 17.234 0.926 1.00 0.00 O ATOM 613 CB ILE A 461 0.908 14.137 1.599 1.00 0.00 C ATOM 614 CG1 ILE A 461 0.284 13.700 2.926 1.00 0.00 C ATOM 615 CG2 ILE A 461 2.437 14.109 1.649 1.00 0.00 C ATOM 616 CD1 ILE A 461 -0.383 12.329 2.792 1.00 0.00 C ATOM 0 H ILE A 461 -1.363 14.547 0.592 1.00 0.00 H new ATOM 0 HA ILE A 461 0.215 16.057 2.111 1.00 0.00 H new ATOM 0 HB ILE A 461 0.596 13.416 0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 461 1.052 13.661 3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 461 -0.452 14.437 3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 461 2.773 13.116 1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 461 2.838 14.346 0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 461 2.791 14.845 2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 461 -0.819 12.041 3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 461 -1.167 12.378 2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 461 0.361 11.590 2.495 1.00 0.00 H new ATOM 628 N SER A 462 1.536 15.991 -0.890 1.00 0.00 N ATOM 629 CA SER A 462 2.466 16.681 -1.767 1.00 0.00 C ATOM 630 C SER A 462 2.890 15.757 -2.911 1.00 0.00 C ATOM 631 O SER A 462 4.075 15.472 -3.076 1.00 0.00 O ATOM 632 CB SER A 462 3.694 17.168 -0.995 1.00 0.00 C ATOM 633 OG SER A 462 3.555 18.521 -0.570 1.00 0.00 O ATOM 0 H SER A 462 1.004 15.244 -1.336 1.00 0.00 H new ATOM 0 HA SER A 462 1.962 17.554 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 462 3.853 16.529 -0.126 1.00 0.00 H new ATOM 0 HB3 SER A 462 4.579 17.075 -1.625 1.00 0.00 H new ATOM 0 HG SER A 462 2.921 18.566 0.176 1.00 0.00 H new ATOM 639 N GLY A 463 1.899 15.315 -3.670 1.00 0.00 N ATOM 640 CA GLY A 463 2.154 14.428 -4.793 1.00 0.00 C ATOM 641 C GLY A 463 2.362 12.988 -4.318 1.00 0.00 C ATOM 642 O GLY A 463 3.361 12.357 -4.659 1.00 0.00 O ATOM 0 H GLY A 463 0.917 15.554 -3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 463 1.317 14.468 -5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 463 3.037 14.767 -5.336 1.00 0.00 H new ATOM 646 N TYR A 464 1.403 12.512 -3.539 1.00 0.00 N ATOM 647 CA TYR A 464 1.468 11.159 -3.014 1.00 0.00 C ATOM 648 C TYR A 464 0.144 10.422 -3.229 1.00 0.00 C ATOM 649 O TYR A 464 -0.795 10.979 -3.795 1.00 0.00 O ATOM 650 CB TYR A 464 1.720 11.301 -1.511 1.00 0.00 C ATOM 651 CG TYR A 464 3.201 11.287 -1.125 1.00 0.00 C ATOM 652 CD1 TYR A 464 4.053 12.252 -1.620 1.00 0.00 C ATOM 653 CD2 TYR A 464 3.684 10.307 -0.280 1.00 0.00 C ATOM 654 CE1 TYR A 464 5.446 12.239 -1.256 1.00 0.00 C ATOM 655 CE2 TYR A 464 5.077 10.294 0.083 1.00 0.00 C ATOM 656 CZ TYR A 464 5.889 11.260 -0.423 1.00 0.00 C ATOM 657 OH TYR A 464 7.205 11.248 -0.079 1.00 0.00 O ATOM 0 H TYR A 464 0.576 13.039 -3.258 1.00 0.00 H new ATOM 0 HA TYR A 464 2.250 10.590 -3.518 1.00 0.00 H new ATOM 0 HB2 TYR A 464 1.273 12.233 -1.164 1.00 0.00 H new ATOM 0 HB3 TYR A 464 1.211 10.490 -0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 464 3.675 13.018 -2.281 1.00 0.00 H new ATOM 0 HD2 TYR A 464 3.017 9.551 0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 464 6.123 12.990 -1.636 1.00 0.00 H new ATOM 0 HE2 TYR A 464 5.468 9.534 0.743 1.00 0.00 H new ATOM 0 HH TYR A 464 7.379 10.494 0.522 1.00 0.00 H new ATOM 667 N ALA A 465 0.112 9.181 -2.765 1.00 0.00 N ATOM 668 CA ALA A 465 -1.081 8.363 -2.900 1.00 0.00 C ATOM 669 C ALA A 465 -1.514 7.868 -1.519 1.00 0.00 C ATOM 670 O ALA A 465 -0.678 7.654 -0.642 1.00 0.00 O ATOM 671 CB ALA A 465 -0.804 7.214 -3.871 1.00 0.00 C ATOM 0 H ALA A 465 0.893 8.723 -2.295 1.00 0.00 H new ATOM 0 HA ALA A 465 -1.903 8.948 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -1.699 6.600 -3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -0.529 7.619 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 465 0.014 6.603 -3.488 1.00 0.00 H new ATOM 677 N LYS A 466 -2.819 7.700 -1.368 1.00 0.00 N ATOM 678 CA LYS A 466 -3.373 7.235 -0.108 1.00 0.00 C ATOM 679 C LYS A 466 -4.308 6.053 -0.372 1.00 0.00 C ATOM 680 O LYS A 466 -4.980 6.007 -1.401 1.00 0.00 O ATOM 681 CB LYS A 466 -4.039 8.389 0.644 1.00 0.00 C ATOM 682 CG LYS A 466 -3.006 9.434 1.071 1.00 0.00 C ATOM 683 CD LYS A 466 -3.669 10.789 1.325 1.00 0.00 C ATOM 684 CE LYS A 466 -4.556 10.740 2.571 1.00 0.00 C ATOM 685 NZ LYS A 466 -5.100 12.083 2.873 1.00 0.00 N ATOM 0 H LYS A 466 -3.509 7.878 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.579 6.875 0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.792 8.855 0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.557 8.004 1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.497 9.099 1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.246 9.537 0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.903 11.555 1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -4.267 11.073 0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -5.374 10.037 2.415 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -3.979 10.375 3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -5.700 12.032 3.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -4.316 12.745 3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -5.667 12.417 2.068 1.00 0.00 H new ATOM 698 N ILE A 467 -4.320 5.126 0.575 1.00 0.00 N ATOM 699 CA ILE A 467 -5.161 3.947 0.457 1.00 0.00 C ATOM 700 C ILE A 467 -5.535 3.451 1.855 1.00 0.00 C ATOM 701 O ILE A 467 -4.668 3.288 2.712 1.00 0.00 O ATOM 702 CB ILE A 467 -4.479 2.887 -0.410 1.00 0.00 C ATOM 703 CG1 ILE A 467 -5.464 2.282 -1.413 1.00 0.00 C ATOM 704 CG2 ILE A 467 -3.812 1.816 0.456 1.00 0.00 C ATOM 705 CD1 ILE A 467 -6.384 1.267 -0.733 1.00 0.00 C ATOM 0 H ILE A 467 -3.761 5.168 1.427 1.00 0.00 H new ATOM 0 HA ILE A 467 -6.092 4.192 -0.054 1.00 0.00 H new ATOM 0 HB ILE A 467 -3.691 3.372 -0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -6.061 3.074 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -4.915 1.797 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -3.335 1.075 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -3.061 2.281 1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -4.565 1.329 1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -7.074 0.852 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -5.785 0.464 -0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -6.949 1.761 0.057 1.00 0.00 H new ATOM 717 N THR A 468 -6.827 3.223 2.042 1.00 0.00 N ATOM 718 CA THR A 468 -7.326 2.749 3.321 1.00 0.00 C ATOM 719 C THR A 468 -8.048 1.411 3.149 1.00 0.00 C ATOM 720 O THR A 468 -8.939 1.286 2.311 1.00 0.00 O ATOM 721 CB THR A 468 -8.210 3.845 3.919 1.00 0.00 C ATOM 722 OG1 THR A 468 -7.541 5.056 3.578 1.00 0.00 O ATOM 723 CG2 THR A 468 -8.203 3.833 5.449 1.00 0.00 C ATOM 0 H THR A 468 -7.543 3.358 1.328 1.00 0.00 H new ATOM 0 HA THR A 468 -6.510 2.554 4.017 1.00 0.00 H new ATOM 0 HB THR A 468 -9.232 3.723 3.560 1.00 0.00 H new ATOM 0 HG1 THR A 468 -8.048 5.819 3.926 1.00 0.00 H new ATOM 0 HG21 THR A 468 -8.846 4.630 5.822 1.00 0.00 H new ATOM 0 HG22 THR A 468 -8.572 2.872 5.807 1.00 0.00 H new ATOM 0 HG23 THR A 468 -7.186 3.988 5.809 1.00 0.00 H new ATOM 731 N VAL A 469 -7.637 0.445 3.957 1.00 0.00 N ATOM 732 CA VAL A 469 -8.233 -0.879 3.904 1.00 0.00 C ATOM 733 C VAL A 469 -8.572 -1.338 5.324 1.00 0.00 C ATOM 734 O VAL A 469 -7.740 -1.245 6.225 1.00 0.00 O ATOM 735 CB VAL A 469 -7.300 -1.845 3.170 1.00 0.00 C ATOM 736 CG1 VAL A 469 -8.023 -3.148 2.825 1.00 0.00 C ATOM 737 CG2 VAL A 469 -6.714 -1.193 1.916 1.00 0.00 C ATOM 0 H VAL A 469 -6.898 0.553 4.652 1.00 0.00 H new ATOM 0 HA VAL A 469 -9.164 -0.856 3.338 1.00 0.00 H new ATOM 0 HB VAL A 469 -6.474 -2.088 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 469 -7.338 -3.817 2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 469 -8.370 -3.625 3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 469 -8.877 -2.931 2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 469 -6.055 -1.900 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 469 -7.522 -0.908 1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 469 -6.147 -0.306 2.198 1.00 0.00 H new ATOM 747 N ASP A 470 -9.795 -1.823 5.479 1.00 0.00 N ATOM 748 CA ASP A 470 -10.254 -2.297 6.774 1.00 0.00 C ATOM 749 C ASP A 470 -9.811 -3.749 6.968 1.00 0.00 C ATOM 750 O ASP A 470 -9.768 -4.521 6.011 1.00 0.00 O ATOM 751 CB ASP A 470 -11.780 -2.251 6.868 1.00 0.00 C ATOM 752 CG ASP A 470 -12.372 -2.927 8.106 1.00 0.00 C ATOM 753 OD1 ASP A 470 -12.600 -2.281 9.139 1.00 0.00 O ATOM 754 OD2 ASP A 470 -12.605 -4.190 7.978 1.00 0.00 O ATOM 0 H ASP A 470 -10.482 -1.898 4.729 1.00 0.00 H new ATOM 0 HA ASP A 470 -9.826 -1.651 7.540 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -12.099 -1.209 6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -12.198 -2.724 5.979 1.00 0.00 H new ATOM 760 N ILE A 471 -9.494 -4.076 8.212 1.00 0.00 N ATOM 761 CA ILE A 471 -9.056 -5.422 8.543 1.00 0.00 C ATOM 762 C ILE A 471 -9.830 -5.918 9.766 1.00 0.00 C ATOM 763 O ILE A 471 -9.340 -6.763 10.513 1.00 0.00 O ATOM 764 CB ILE A 471 -7.537 -5.463 8.718 1.00 0.00 C ATOM 765 CG1 ILE A 471 -7.124 -4.874 10.068 1.00 0.00 C ATOM 766 CG2 ILE A 471 -6.832 -4.769 7.551 1.00 0.00 C ATOM 767 CD1 ILE A 471 -5.635 -5.102 10.334 1.00 0.00 C ATOM 0 H ILE A 471 -9.532 -3.433 9.003 1.00 0.00 H new ATOM 0 HA ILE A 471 -9.278 -6.107 7.725 1.00 0.00 H new ATOM 0 HB ILE A 471 -7.221 -6.506 8.712 1.00 0.00 H new ATOM 0 HG12 ILE A 471 -7.340 -3.806 10.084 1.00 0.00 H new ATOM 0 HG13 ILE A 471 -7.713 -5.331 10.863 1.00 0.00 H new ATOM 0 HG21 ILE A 471 -5.753 -4.812 7.700 1.00 0.00 H new ATOM 0 HG22 ILE A 471 -7.090 -5.272 6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 471 -7.150 -3.728 7.501 1.00 0.00 H new ATOM 0 HD11 ILE A 471 -5.368 -4.673 11.300 1.00 0.00 H new ATOM 0 HD12 ILE A 471 -5.426 -6.172 10.342 1.00 0.00 H new ATOM 0 HD13 ILE A 471 -5.048 -4.623 9.550 1.00 0.00 H new ATOM 779 N GLY A 472 -11.026 -5.372 9.932 1.00 0.00 N ATOM 780 CA GLY A 472 -11.871 -5.749 11.052 1.00 0.00 C ATOM 781 C GLY A 472 -12.023 -7.269 11.137 1.00 0.00 C ATOM 782 O GLY A 472 -13.032 -7.822 10.702 1.00 0.00 O ATOM 0 H GLY A 472 -11.430 -4.672 9.310 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -11.442 -5.370 11.980 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -12.852 -5.287 10.943 1.00 0.00 H new ATOM 786 N SER A 473 -11.005 -7.903 11.701 1.00 0.00 N ATOM 787 CA SER A 473 -11.012 -9.348 11.848 1.00 0.00 C ATOM 788 C SER A 473 -9.588 -9.894 11.719 1.00 0.00 C ATOM 789 O SER A 473 -9.334 -11.054 12.039 1.00 0.00 O ATOM 790 CB SER A 473 -11.928 -10.003 10.813 1.00 0.00 C ATOM 791 OG SER A 473 -13.274 -10.091 11.270 1.00 0.00 O ATOM 0 H SER A 473 -10.170 -7.442 12.062 1.00 0.00 H new ATOM 0 HA SER A 473 -11.398 -9.589 12.838 1.00 0.00 H new ATOM 0 HB2 SER A 473 -11.897 -9.429 9.887 1.00 0.00 H new ATOM 0 HB3 SER A 473 -11.558 -11.002 10.582 1.00 0.00 H new ATOM 0 HG SER A 473 -13.772 -9.301 10.974 1.00 0.00 H new ATOM 797 N ALA A 474 -8.698 -9.032 11.250 1.00 0.00 N ATOM 798 CA ALA A 474 -7.307 -9.414 11.075 1.00 0.00 C ATOM 799 C ALA A 474 -6.415 -8.446 11.854 1.00 0.00 C ATOM 800 O ALA A 474 -6.664 -7.241 11.869 1.00 0.00 O ATOM 801 CB ALA A 474 -6.971 -9.444 9.583 1.00 0.00 C ATOM 0 H ALA A 474 -8.913 -8.071 10.986 1.00 0.00 H new ATOM 0 HA ALA A 474 -7.131 -10.415 11.470 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -5.928 -9.730 9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -7.613 -10.168 9.080 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -7.133 -8.455 9.154 1.00 0.00 H new ATOM 807 N SER A 475 -5.394 -9.009 12.484 1.00 0.00 N ATOM 808 CA SER A 475 -4.464 -8.210 13.264 1.00 0.00 C ATOM 809 C SER A 475 -3.412 -7.586 12.345 1.00 0.00 C ATOM 810 O SER A 475 -2.605 -6.768 12.785 1.00 0.00 O ATOM 811 CB SER A 475 -3.788 -9.054 14.347 1.00 0.00 C ATOM 812 OG SER A 475 -4.046 -8.549 15.655 1.00 0.00 O ATOM 0 H SER A 475 -5.191 -10.008 12.470 1.00 0.00 H new ATOM 0 HA SER A 475 -5.025 -7.415 13.756 1.00 0.00 H new ATOM 0 HB2 SER A 475 -4.142 -10.083 14.279 1.00 0.00 H new ATOM 0 HB3 SER A 475 -2.712 -9.075 14.172 1.00 0.00 H new ATOM 0 HG SER A 475 -3.599 -9.115 16.318 1.00 0.00 H new ATOM 818 N GLN A 476 -3.455 -7.995 11.085 1.00 0.00 N ATOM 819 CA GLN A 476 -2.515 -7.486 10.101 1.00 0.00 C ATOM 820 C GLN A 476 -3.122 -7.563 8.698 1.00 0.00 C ATOM 821 O GLN A 476 -4.090 -8.288 8.476 1.00 0.00 O ATOM 822 CB GLN A 476 -1.188 -8.244 10.166 1.00 0.00 C ATOM 823 CG GLN A 476 -0.218 -7.569 11.138 1.00 0.00 C ATOM 824 CD GLN A 476 1.222 -8.013 10.872 1.00 0.00 C ATOM 825 OE1 GLN A 476 1.330 -9.266 10.437 1.00 0.00 O flip ATOM 826 NE2 GLN A 476 2.172 -7.269 11.051 1.00 0.00 N flip ATOM 0 H GLN A 476 -4.126 -8.673 10.723 1.00 0.00 H new ATOM 0 HA GLN A 476 -2.310 -6.440 10.331 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -1.367 -9.272 10.481 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -0.741 -8.288 9.173 1.00 0.00 H new ATOM 0 HG2 GLN A 476 -0.293 -6.486 11.039 1.00 0.00 H new ATOM 0 HG3 GLN A 476 -0.495 -7.815 12.163 1.00 0.00 H new ATOM 0 HE21 GLN A 476 2.019 -6.318 11.387 1.00 0.00 H new ATOM 0 HE22 GLN A 476 3.119 -7.598 10.865 1.00 0.00 H new ATOM 835 N LEU A 477 -2.528 -6.805 7.789 1.00 0.00 N ATOM 836 CA LEU A 477 -2.998 -6.777 6.414 1.00 0.00 C ATOM 837 C LEU A 477 -1.796 -6.720 5.469 1.00 0.00 C ATOM 838 O LEU A 477 -0.800 -6.061 5.766 1.00 0.00 O ATOM 839 CB LEU A 477 -3.995 -5.634 6.212 1.00 0.00 C ATOM 840 CG LEU A 477 -3.914 -4.904 4.870 1.00 0.00 C ATOM 841 CD1 LEU A 477 -5.268 -4.914 4.157 1.00 0.00 C ATOM 842 CD2 LEU A 477 -3.372 -3.484 5.050 1.00 0.00 C ATOM 0 H LEU A 477 -1.725 -6.205 7.977 1.00 0.00 H new ATOM 0 HA LEU A 477 -3.544 -7.691 6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.003 -6.033 6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -3.849 -4.905 7.009 1.00 0.00 H new ATOM 0 HG LEU A 477 -3.210 -5.439 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -5.182 -4.389 3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -5.576 -5.944 3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -6.011 -4.417 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -3.324 -2.987 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -4.032 -2.924 5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -2.373 -3.528 5.484 1.00 0.00 H new ATOM 854 N GLU A 478 -1.929 -7.418 4.352 1.00 0.00 N ATOM 855 CA GLU A 478 -0.865 -7.455 3.362 1.00 0.00 C ATOM 856 C GLU A 478 -1.149 -6.453 2.241 1.00 0.00 C ATOM 857 O GLU A 478 -2.289 -6.313 1.802 1.00 0.00 O ATOM 858 CB GLU A 478 -0.686 -8.867 2.802 1.00 0.00 C ATOM 859 CG GLU A 478 0.720 -9.056 2.229 1.00 0.00 C ATOM 860 CD GLU A 478 1.716 -9.422 3.331 1.00 0.00 C ATOM 861 OE1 GLU A 478 2.928 -9.216 3.165 1.00 0.00 O ATOM 862 OE2 GLU A 478 1.192 -9.936 4.391 1.00 0.00 O ATOM 0 H GLU A 478 -2.757 -7.963 4.110 1.00 0.00 H new ATOM 0 HA GLU A 478 0.068 -7.172 3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 478 -0.863 -9.599 3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 478 -1.427 -9.050 2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 478 0.706 -9.840 1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 478 1.041 -8.140 1.733 1.00 0.00 H new ATOM 870 N ALA A 479 -0.091 -5.781 1.810 1.00 0.00 N ATOM 871 CA ALA A 479 -0.212 -4.795 0.749 1.00 0.00 C ATOM 872 C ALA A 479 0.851 -5.067 -0.317 1.00 0.00 C ATOM 873 O ALA A 479 1.872 -5.693 -0.035 1.00 0.00 O ATOM 874 CB ALA A 479 -0.097 -3.390 1.342 1.00 0.00 C ATOM 0 H ALA A 479 0.854 -5.900 2.176 1.00 0.00 H new ATOM 0 HA ALA A 479 -1.187 -4.866 0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 479 -0.188 -2.651 0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 479 -0.892 -3.237 2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 479 0.871 -3.280 1.831 1.00 0.00 H new ATOM 880 N ALA A 480 0.576 -4.582 -1.519 1.00 0.00 N ATOM 881 CA ALA A 480 1.496 -4.765 -2.628 1.00 0.00 C ATOM 882 C ALA A 480 1.469 -3.521 -3.518 1.00 0.00 C ATOM 883 O ALA A 480 0.468 -2.809 -3.565 1.00 0.00 O ATOM 884 CB ALA A 480 1.127 -6.038 -3.394 1.00 0.00 C ATOM 0 H ALA A 480 -0.271 -4.062 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 480 2.516 -4.888 -2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 480 1.818 -6.175 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 480 1.190 -6.896 -2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 480 0.110 -5.950 -3.777 1.00 0.00 H new ATOM 890 N PHE A 481 2.582 -3.297 -4.202 1.00 0.00 N ATOM 891 CA PHE A 481 2.699 -2.151 -5.087 1.00 0.00 C ATOM 892 C PHE A 481 2.732 -2.591 -6.552 1.00 0.00 C ATOM 893 O PHE A 481 3.267 -3.651 -6.874 1.00 0.00 O ATOM 894 CB PHE A 481 4.018 -1.455 -4.747 1.00 0.00 C ATOM 895 CG PHE A 481 4.361 -0.285 -5.670 1.00 0.00 C ATOM 896 CD1 PHE A 481 3.375 0.538 -6.120 1.00 0.00 C ATOM 897 CD2 PHE A 481 5.651 -0.066 -6.042 1.00 0.00 C ATOM 898 CE1 PHE A 481 3.693 1.624 -6.977 1.00 0.00 C ATOM 899 CE2 PHE A 481 5.969 1.020 -6.899 1.00 0.00 C ATOM 900 CZ PHE A 481 4.983 1.842 -7.349 1.00 0.00 C ATOM 0 H PHE A 481 3.411 -3.890 -4.161 1.00 0.00 H new ATOM 0 HA PHE A 481 1.843 -1.489 -4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 481 3.971 -1.092 -3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 481 4.825 -2.187 -4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 481 2.351 0.365 -5.825 1.00 0.00 H new ATOM 0 HD2 PHE A 481 6.434 -0.719 -5.685 1.00 0.00 H new ATOM 0 HE1 PHE A 481 2.910 2.277 -7.334 1.00 0.00 H new ATOM 0 HE2 PHE A 481 6.993 1.194 -7.194 1.00 0.00 H new ATOM 0 HZ PHE A 481 5.224 2.668 -8.002 1.00 0.00 H new ATOM 910 N ASN A 482 2.151 -1.755 -7.401 1.00 0.00 N ATOM 911 CA ASN A 482 2.107 -2.045 -8.824 1.00 0.00 C ATOM 912 C ASN A 482 1.996 -0.733 -9.604 1.00 0.00 C ATOM 913 O ASN A 482 1.460 0.251 -9.097 1.00 0.00 O ATOM 914 CB ASN A 482 0.893 -2.907 -9.173 1.00 0.00 C ATOM 915 CG ASN A 482 0.479 -3.779 -7.986 1.00 0.00 C ATOM 916 OD1 ASN A 482 1.207 -4.650 -7.539 1.00 0.00 O ATOM 917 ND2 ASN A 482 -0.727 -3.496 -7.501 1.00 0.00 N ATOM 0 H ASN A 482 1.707 -0.877 -7.130 1.00 0.00 H new ATOM 0 HA ASN A 482 3.018 -2.582 -9.087 1.00 0.00 H new ATOM 0 HB2 ASN A 482 0.061 -2.267 -9.466 1.00 0.00 H new ATOM 0 HB3 ASN A 482 1.126 -3.540 -10.030 1.00 0.00 H new ATOM 0 HD21 ASN A 482 -1.094 -4.021 -6.707 1.00 0.00 H new ATOM 0 HD22 ASN A 482 -1.285 -2.754 -7.923 1.00 0.00 H new ATOM 924 N ASP A 483 2.510 -0.762 -10.825 1.00 0.00 N ATOM 925 CA ASP A 483 2.475 0.413 -11.679 1.00 0.00 C ATOM 926 C ASP A 483 2.013 0.005 -13.080 1.00 0.00 C ATOM 927 O ASP A 483 2.727 0.217 -14.059 1.00 0.00 O ATOM 928 CB ASP A 483 3.863 1.044 -11.804 1.00 0.00 C ATOM 929 CG ASP A 483 5.028 0.052 -11.799 1.00 0.00 C ATOM 930 OD1 ASP A 483 5.176 -0.755 -10.869 1.00 0.00 O ATOM 931 OD2 ASP A 483 5.815 0.131 -12.818 1.00 0.00 O ATOM 0 H ASP A 483 2.953 -1.580 -11.243 1.00 0.00 H new ATOM 0 HA ASP A 483 1.790 1.134 -11.234 1.00 0.00 H new ATOM 0 HB2 ASP A 483 3.901 1.621 -12.728 1.00 0.00 H new ATOM 0 HB3 ASP A 483 4.001 1.747 -10.983 1.00 0.00 H new ATOM 937 N GLY A 484 0.821 -0.571 -13.131 1.00 0.00 N ATOM 938 CA GLY A 484 0.256 -1.010 -14.395 1.00 0.00 C ATOM 939 C GLY A 484 -0.398 -2.387 -14.255 1.00 0.00 C ATOM 940 O GLY A 484 -1.622 -2.502 -14.284 1.00 0.00 O ATOM 0 H GLY A 484 0.231 -0.744 -12.317 1.00 0.00 H new ATOM 0 HA2 GLY A 484 -0.483 -0.286 -14.738 1.00 0.00 H new ATOM 0 HA3 GLY A 484 1.039 -1.050 -15.153 1.00 0.00 H new ATOM 944 N ASN A 485 0.448 -3.395 -14.106 1.00 0.00 N ATOM 945 CA ASN A 485 -0.032 -4.759 -13.962 1.00 0.00 C ATOM 946 C ASN A 485 1.164 -5.706 -13.838 1.00 0.00 C ATOM 947 O ASN A 485 1.378 -6.306 -12.786 1.00 0.00 O ATOM 948 CB ASN A 485 -0.849 -5.187 -15.182 1.00 0.00 C ATOM 949 CG ASN A 485 -1.846 -6.289 -14.815 1.00 0.00 C ATOM 950 OD1 ASN A 485 -2.627 -5.990 -13.781 1.00 0.00 O flip ATOM 951 ND2 ASN A 485 -1.902 -7.341 -15.431 1.00 0.00 N flip ATOM 0 H ASN A 485 1.463 -3.295 -14.082 1.00 0.00 H new ATOM 0 HA ASN A 485 -0.661 -4.803 -13.073 1.00 0.00 H new ATOM 0 HB2 ASN A 485 -1.384 -4.327 -15.586 1.00 0.00 H new ATOM 0 HB3 ASN A 485 -0.180 -5.543 -15.966 1.00 0.00 H new ATOM 0 HD21 ASN A 485 -1.272 -7.506 -16.216 1.00 0.00 H new ATOM 0 HD22 ASN A 485 -2.579 -8.055 -15.161 1.00 0.00 H new ATOM 958 N ASN A 486 1.911 -5.810 -14.927 1.00 0.00 N ATOM 959 CA ASN A 486 3.079 -6.673 -14.954 1.00 0.00 C ATOM 960 C ASN A 486 4.136 -6.125 -13.993 1.00 0.00 C ATOM 961 O ASN A 486 5.032 -6.852 -13.569 1.00 0.00 O ATOM 962 CB ASN A 486 3.695 -6.724 -16.354 1.00 0.00 C ATOM 963 CG ASN A 486 4.929 -7.628 -16.377 1.00 0.00 C ATOM 964 OD1 ASN A 486 4.839 -8.843 -16.442 1.00 0.00 O ATOM 965 ND2 ASN A 486 6.083 -6.969 -16.322 1.00 0.00 N ATOM 0 H ASN A 486 1.730 -5.310 -15.798 1.00 0.00 H new ATOM 0 HA ASN A 486 2.764 -7.675 -14.662 1.00 0.00 H new ATOM 0 HB2 ASN A 486 2.957 -7.092 -17.067 1.00 0.00 H new ATOM 0 HB3 ASN A 486 3.971 -5.718 -16.671 1.00 0.00 H new ATOM 0 HD21 ASN A 486 6.964 -7.482 -16.333 1.00 0.00 H new ATOM 0 HD22 ASN A 486 6.087 -5.950 -16.269 1.00 0.00 H new ATOM 972 N ASN A 487 3.995 -4.846 -13.676 1.00 0.00 N ATOM 973 CA ASN A 487 4.926 -4.191 -12.773 1.00 0.00 C ATOM 974 C ASN A 487 4.429 -4.347 -11.335 1.00 0.00 C ATOM 975 O ASN A 487 3.568 -3.591 -10.886 1.00 0.00 O ATOM 976 CB ASN A 487 5.030 -2.696 -13.078 1.00 0.00 C ATOM 977 CG ASN A 487 4.651 -2.405 -14.532 1.00 0.00 C ATOM 978 OD1 ASN A 487 3.372 -2.082 -14.703 1.00 0.00 O flip ATOM 979 ND2 ASN A 487 5.465 -2.469 -15.438 1.00 0.00 N flip ATOM 0 H ASN A 487 3.250 -4.246 -14.029 1.00 0.00 H new ATOM 0 HA ASN A 487 5.904 -4.654 -12.903 1.00 0.00 H new ATOM 0 HB2 ASN A 487 4.375 -2.138 -12.409 1.00 0.00 H new ATOM 0 HB3 ASN A 487 6.047 -2.352 -12.888 1.00 0.00 H new ATOM 0 HD21 ASN A 487 6.432 -2.723 -15.238 1.00 0.00 H new ATOM 0 HD22 ASN A 487 5.178 -2.268 -16.396 1.00 0.00 H new ATOM 986 N TRP A 488 4.993 -5.332 -10.651 1.00 0.00 N ATOM 987 CA TRP A 488 4.618 -5.596 -9.272 1.00 0.00 C ATOM 988 C TRP A 488 5.758 -5.117 -8.372 1.00 0.00 C ATOM 989 O TRP A 488 6.867 -4.875 -8.844 1.00 0.00 O ATOM 990 CB TRP A 488 4.277 -7.074 -9.071 1.00 0.00 C ATOM 991 CG TRP A 488 3.079 -7.554 -9.892 1.00 0.00 C ATOM 992 CD1 TRP A 488 3.076 -8.039 -11.141 1.00 0.00 C ATOM 993 CD2 TRP A 488 1.700 -7.577 -9.468 1.00 0.00 C ATOM 994 NE1 TRP A 488 1.801 -8.370 -11.552 1.00 0.00 N ATOM 995 CE2 TRP A 488 0.938 -8.081 -10.503 1.00 0.00 C ATOM 996 CE3 TRP A 488 1.115 -7.185 -8.251 1.00 0.00 C ATOM 997 CZ2 TRP A 488 -0.451 -8.239 -10.425 1.00 0.00 C ATOM 998 CZ3 TRP A 488 -0.274 -7.349 -8.189 1.00 0.00 C ATOM 999 CH2 TRP A 488 -1.055 -7.855 -9.222 1.00 0.00 C ATOM 0 H TRP A 488 5.707 -5.957 -11.026 1.00 0.00 H new ATOM 0 HA TRP A 488 3.713 -5.050 -9.006 1.00 0.00 H new ATOM 0 HB2 TRP A 488 5.148 -7.676 -9.332 1.00 0.00 H new ATOM 0 HB3 TRP A 488 4.074 -7.249 -8.014 1.00 0.00 H new ATOM 0 HD1 TRP A 488 3.960 -8.156 -11.750 1.00 0.00 H new ATOM 0 HE1 TRP A 488 1.540 -8.756 -12.459 1.00 0.00 H new ATOM 0 HE3 TRP A 488 1.692 -6.789 -7.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 488 -1.026 -8.636 -11.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 488 -0.774 -7.063 -7.275 1.00 0.00 H new ATOM 0 HH2 TRP A 488 -2.123 -7.951 -9.097 1.00 0.00 H new ATOM 1010 N ASP A 489 5.445 -4.995 -7.090 1.00 0.00 N ATOM 1011 CA ASP A 489 6.430 -4.548 -6.119 1.00 0.00 C ATOM 1012 C ASP A 489 5.963 -4.930 -4.713 1.00 0.00 C ATOM 1013 O ASP A 489 5.417 -4.099 -3.989 1.00 0.00 O ATOM 1014 CB ASP A 489 6.599 -3.028 -6.164 1.00 0.00 C ATOM 1015 CG ASP A 489 7.781 -2.534 -7.000 1.00 0.00 C ATOM 1016 OD1 ASP A 489 8.946 -2.653 -6.592 1.00 0.00 O ATOM 1017 OD2 ASP A 489 7.463 -1.999 -8.130 1.00 0.00 O ATOM 0 H ASP A 489 4.524 -5.198 -6.701 1.00 0.00 H new ATOM 0 HA ASP A 489 7.381 -5.023 -6.360 1.00 0.00 H new ATOM 0 HB2 ASP A 489 5.684 -2.587 -6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 489 6.715 -2.660 -5.145 1.00 0.00 H new ATOM 1023 N SER A 490 6.194 -6.189 -4.369 1.00 0.00 N ATOM 1024 CA SER A 490 5.803 -6.691 -3.063 1.00 0.00 C ATOM 1025 C SER A 490 7.029 -7.224 -2.319 1.00 0.00 C ATOM 1026 O SER A 490 7.702 -8.135 -2.798 1.00 0.00 O ATOM 1027 CB SER A 490 4.741 -7.785 -3.188 1.00 0.00 C ATOM 1028 OG SER A 490 3.460 -7.338 -2.754 1.00 0.00 O ATOM 0 H SER A 490 6.647 -6.876 -4.972 1.00 0.00 H new ATOM 0 HA SER A 490 5.371 -5.867 -2.495 1.00 0.00 H new ATOM 0 HB2 SER A 490 4.678 -8.112 -4.226 1.00 0.00 H new ATOM 0 HB3 SER A 490 5.042 -8.651 -2.598 1.00 0.00 H new ATOM 0 HG SER A 490 2.882 -8.112 -2.588 1.00 0.00 H new ATOM 1034 N ASN A 491 7.281 -6.634 -1.160 1.00 0.00 N ATOM 1035 CA ASN A 491 8.415 -7.038 -0.345 1.00 0.00 C ATOM 1036 C ASN A 491 9.525 -7.572 -1.253 1.00 0.00 C ATOM 1037 O ASN A 491 10.117 -8.612 -0.968 1.00 0.00 O ATOM 1038 CB ASN A 491 8.024 -8.151 0.629 1.00 0.00 C ATOM 1039 CG ASN A 491 8.856 -8.076 1.910 1.00 0.00 C ATOM 1040 OD1 ASN A 491 8.346 -7.892 3.003 1.00 0.00 O ATOM 1041 ND2 ASN A 491 10.163 -8.227 1.716 1.00 0.00 N ATOM 0 H ASN A 491 6.720 -5.879 -0.765 1.00 0.00 H new ATOM 0 HA ASN A 491 8.753 -6.168 0.218 1.00 0.00 H new ATOM 0 HB2 ASN A 491 6.965 -8.069 0.874 1.00 0.00 H new ATOM 0 HB3 ASN A 491 8.168 -9.122 0.154 1.00 0.00 H new ATOM 0 HD21 ASN A 491 10.804 -8.192 2.509 1.00 0.00 H new ATOM 0 HD22 ASN A 491 10.525 -8.378 0.774 1.00 0.00 H new ATOM 1048 N ASN A 492 9.773 -6.837 -2.326 1.00 0.00 N ATOM 1049 CA ASN A 492 10.801 -7.224 -3.277 1.00 0.00 C ATOM 1050 C ASN A 492 10.211 -8.213 -4.284 1.00 0.00 C ATOM 1051 O ASN A 492 10.435 -8.087 -5.487 1.00 0.00 O ATOM 1052 CB ASN A 492 11.973 -7.908 -2.573 1.00 0.00 C ATOM 1053 CG ASN A 492 13.251 -7.808 -3.409 1.00 0.00 C ATOM 1054 OD1 ASN A 492 13.443 -6.888 -4.188 1.00 0.00 O ATOM 1055 ND2 ASN A 492 14.110 -8.802 -3.206 1.00 0.00 N ATOM 0 H ASN A 492 9.280 -5.975 -2.558 1.00 0.00 H new ATOM 0 HA ASN A 492 11.157 -6.322 -3.775 1.00 0.00 H new ATOM 0 HB2 ASN A 492 12.135 -7.447 -1.598 1.00 0.00 H new ATOM 0 HB3 ASN A 492 11.733 -8.956 -2.394 1.00 0.00 H new ATOM 0 HD21 ASN A 492 14.992 -8.826 -3.717 1.00 0.00 H new ATOM 0 HD22 ASN A 492 13.887 -9.541 -2.539 1.00 0.00 H new ATOM 1062 N THR A 493 9.470 -9.176 -3.755 1.00 0.00 N ATOM 1063 CA THR A 493 8.848 -10.187 -4.593 1.00 0.00 C ATOM 1064 C THR A 493 8.090 -11.200 -3.732 1.00 0.00 C ATOM 1065 O THR A 493 8.162 -12.403 -3.976 1.00 0.00 O ATOM 1066 CB THR A 493 9.938 -10.820 -5.459 1.00 0.00 C ATOM 1067 OG1 THR A 493 9.299 -11.947 -6.052 1.00 0.00 O ATOM 1068 CG2 THR A 493 11.068 -11.429 -4.626 1.00 0.00 C ATOM 0 H THR A 493 9.287 -9.277 -2.757 1.00 0.00 H new ATOM 0 HA THR A 493 8.102 -9.748 -5.255 1.00 0.00 H new ATOM 0 HB THR A 493 10.348 -10.068 -6.133 1.00 0.00 H new ATOM 0 HG1 THR A 493 9.085 -12.604 -5.358 1.00 0.00 H new ATOM 0 HG21 THR A 493 11.815 -11.865 -5.289 1.00 0.00 H new ATOM 0 HG22 THR A 493 11.532 -10.652 -4.018 1.00 0.00 H new ATOM 0 HG23 THR A 493 10.663 -12.205 -3.976 1.00 0.00 H new ATOM 1076 N LYS A 494 7.381 -10.675 -2.744 1.00 0.00 N ATOM 1077 CA LYS A 494 6.611 -11.519 -1.845 1.00 0.00 C ATOM 1078 C LYS A 494 5.308 -10.807 -1.476 1.00 0.00 C ATOM 1079 O LYS A 494 4.238 -11.174 -1.958 1.00 0.00 O ATOM 1080 CB LYS A 494 7.455 -11.923 -0.635 1.00 0.00 C ATOM 1081 CG LYS A 494 8.679 -12.735 -1.067 1.00 0.00 C ATOM 1082 CD LYS A 494 9.075 -13.745 0.012 1.00 0.00 C ATOM 1083 CE LYS A 494 8.590 -15.150 -0.348 1.00 0.00 C ATOM 1084 NZ LYS A 494 8.941 -16.110 0.722 1.00 0.00 N ATOM 0 H LYS A 494 7.323 -9.676 -2.546 1.00 0.00 H new ATOM 0 HA LYS A 494 6.337 -12.451 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 494 7.777 -11.031 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 494 6.850 -12.510 0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 494 8.463 -13.258 -1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 494 9.514 -12.063 -1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 494 10.159 -13.750 0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 494 8.651 -13.444 0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 494 7.510 -15.141 -0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 494 9.039 -15.466 -1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 494 8.604 -17.059 0.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 494 9.974 -16.131 0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 494 8.492 -15.816 1.613 1.00 0.00 H new ATOM 1097 N ASN A 495 5.442 -9.801 -0.623 1.00 0.00 N ATOM 1098 CA ASN A 495 4.288 -9.035 -0.183 1.00 0.00 C ATOM 1099 C ASN A 495 4.612 -8.353 1.147 1.00 0.00 C ATOM 1100 O ASN A 495 5.303 -8.924 1.990 1.00 0.00 O ATOM 1101 CB ASN A 495 3.075 -9.942 0.033 1.00 0.00 C ATOM 1102 CG ASN A 495 2.023 -9.719 -1.056 1.00 0.00 C ATOM 1103 OD1 ASN A 495 1.785 -8.612 -1.508 1.00 0.00 O ATOM 1104 ND2 ASN A 495 1.409 -10.831 -1.450 1.00 0.00 N ATOM 0 H ASN A 495 6.331 -9.499 -0.225 1.00 0.00 H new ATOM 0 HA ASN A 495 4.056 -8.301 -0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 495 3.391 -10.985 0.030 1.00 0.00 H new ATOM 0 HB3 ASN A 495 2.638 -9.744 1.012 1.00 0.00 H new ATOM 0 HD21 ASN A 495 0.690 -10.788 -2.173 1.00 0.00 H new ATOM 0 HD22 ASN A 495 1.657 -11.727 -1.030 1.00 0.00 H new ATOM 1111 N TYR A 496 4.097 -7.141 1.295 1.00 0.00 N ATOM 1112 CA TYR A 496 4.323 -6.375 2.509 1.00 0.00 C ATOM 1113 C TYR A 496 3.219 -6.636 3.536 1.00 0.00 C ATOM 1114 O TYR A 496 2.070 -6.881 3.169 1.00 0.00 O ATOM 1115 CB TYR A 496 4.278 -4.903 2.093 1.00 0.00 C ATOM 1116 CG TYR A 496 5.443 -4.474 1.199 1.00 0.00 C ATOM 1117 CD1 TYR A 496 6.733 -4.489 1.691 1.00 0.00 C ATOM 1118 CD2 TYR A 496 5.205 -4.072 -0.099 1.00 0.00 C ATOM 1119 CE1 TYR A 496 7.829 -4.085 0.850 1.00 0.00 C ATOM 1120 CE2 TYR A 496 6.302 -3.668 -0.941 1.00 0.00 C ATOM 1121 CZ TYR A 496 7.560 -3.694 -0.425 1.00 0.00 C ATOM 1122 OH TYR A 496 8.595 -3.313 -1.219 1.00 0.00 O ATOM 0 H TYR A 496 3.524 -6.671 0.594 1.00 0.00 H new ATOM 0 HA TYR A 496 5.273 -6.652 2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 496 3.342 -4.713 1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 496 4.273 -4.283 2.989 1.00 0.00 H new ATOM 0 HD1 TYR A 496 6.920 -4.804 2.707 1.00 0.00 H new ATOM 0 HD2 TYR A 496 4.196 -4.060 -0.484 1.00 0.00 H new ATOM 0 HE1 TYR A 496 8.843 -4.092 1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 496 6.129 -3.352 -1.959 1.00 0.00 H new ATOM 0 HH TYR A 496 8.542 -3.786 -2.076 1.00 0.00 H new ATOM 1132 N SER A 497 3.605 -6.575 4.801 1.00 0.00 N ATOM 1133 CA SER A 497 2.663 -6.802 5.884 1.00 0.00 C ATOM 1134 C SER A 497 2.630 -5.586 6.813 1.00 0.00 C ATOM 1135 O SER A 497 3.674 -5.107 7.251 1.00 0.00 O ATOM 1136 CB SER A 497 3.023 -8.063 6.672 1.00 0.00 C ATOM 1137 OG SER A 497 2.330 -8.130 7.916 1.00 0.00 O ATOM 0 H SER A 497 4.558 -6.371 5.101 1.00 0.00 H new ATOM 0 HA SER A 497 1.673 -6.947 5.451 1.00 0.00 H new ATOM 0 HB2 SER A 497 2.784 -8.944 6.076 1.00 0.00 H new ATOM 0 HB3 SER A 497 4.098 -8.083 6.854 1.00 0.00 H new ATOM 0 HG SER A 497 2.457 -9.017 8.314 1.00 0.00 H new ATOM 1143 N PHE A 498 1.419 -5.122 7.085 1.00 0.00 N ATOM 1144 CA PHE A 498 1.236 -3.972 7.953 1.00 0.00 C ATOM 1145 C PHE A 498 0.147 -4.238 8.994 1.00 0.00 C ATOM 1146 O PHE A 498 -0.848 -4.899 8.702 1.00 0.00 O ATOM 1147 CB PHE A 498 0.801 -2.805 7.064 1.00 0.00 C ATOM 1148 CG PHE A 498 1.667 -2.616 5.817 1.00 0.00 C ATOM 1149 CD1 PHE A 498 3.020 -2.719 5.907 1.00 0.00 C ATOM 1150 CD2 PHE A 498 1.084 -2.345 4.619 1.00 0.00 C ATOM 1151 CE1 PHE A 498 3.824 -2.544 4.749 1.00 0.00 C ATOM 1152 CE2 PHE A 498 1.888 -2.170 3.461 1.00 0.00 C ATOM 1153 CZ PHE A 498 3.241 -2.273 3.551 1.00 0.00 C ATOM 0 H PHE A 498 0.555 -5.522 6.719 1.00 0.00 H new ATOM 0 HA PHE A 498 2.163 -3.756 8.484 1.00 0.00 H new ATOM 0 HB2 PHE A 498 -0.233 -2.962 6.756 1.00 0.00 H new ATOM 0 HB3 PHE A 498 0.822 -1.887 7.651 1.00 0.00 H new ATOM 0 HD1 PHE A 498 3.483 -2.934 6.859 1.00 0.00 H new ATOM 0 HD2 PHE A 498 0.009 -2.263 4.548 1.00 0.00 H new ATOM 0 HE1 PHE A 498 4.899 -2.626 4.820 1.00 0.00 H new ATOM 0 HE2 PHE A 498 1.425 -1.955 2.509 1.00 0.00 H new ATOM 0 HZ PHE A 498 3.852 -2.140 2.671 1.00 0.00 H new ATOM 1163 N SER A 499 0.372 -3.709 10.188 1.00 0.00 N ATOM 1164 CA SER A 499 -0.577 -3.881 11.274 1.00 0.00 C ATOM 1165 C SER A 499 -1.454 -2.635 11.406 1.00 0.00 C ATOM 1166 O SER A 499 -1.006 -1.524 11.126 1.00 0.00 O ATOM 1167 CB SER A 499 0.142 -4.166 12.594 1.00 0.00 C ATOM 1168 OG SER A 499 1.538 -3.894 12.511 1.00 0.00 O ATOM 0 H SER A 499 1.198 -3.161 10.427 1.00 0.00 H new ATOM 0 HA SER A 499 -1.209 -4.739 11.043 1.00 0.00 H new ATOM 0 HB2 SER A 499 -0.299 -3.560 13.385 1.00 0.00 H new ATOM 0 HB3 SER A 499 -0.008 -5.210 12.871 1.00 0.00 H new ATOM 0 HG SER A 499 1.961 -4.087 13.374 1.00 0.00 H new ATOM 1174 N THR A 500 -2.688 -2.860 11.831 1.00 0.00 N ATOM 1175 CA THR A 500 -3.632 -1.769 12.003 1.00 0.00 C ATOM 1176 C THR A 500 -2.889 -0.460 12.281 1.00 0.00 C ATOM 1177 O THR A 500 -1.915 -0.443 13.031 1.00 0.00 O ATOM 1178 CB THR A 500 -4.610 -2.160 13.112 1.00 0.00 C ATOM 1179 OG1 THR A 500 -3.770 -2.551 14.194 1.00 0.00 O ATOM 1180 CG2 THR A 500 -5.400 -3.427 12.777 1.00 0.00 C ATOM 0 H THR A 500 -3.057 -3.783 12.062 1.00 0.00 H new ATOM 0 HA THR A 500 -4.205 -1.594 11.092 1.00 0.00 H new ATOM 0 HB THR A 500 -5.302 -1.337 13.291 1.00 0.00 H new ATOM 0 HG1 THR A 500 -4.323 -2.819 14.957 1.00 0.00 H new ATOM 0 HG21 THR A 500 -6.079 -3.660 13.597 1.00 0.00 H new ATOM 0 HG22 THR A 500 -5.974 -3.267 11.865 1.00 0.00 H new ATOM 0 HG23 THR A 500 -4.710 -4.258 12.630 1.00 0.00 H new ATOM 1188 N GLY A 501 -3.378 0.603 11.661 1.00 0.00 N ATOM 1189 CA GLY A 501 -2.773 1.913 11.832 1.00 0.00 C ATOM 1190 C GLY A 501 -2.509 2.576 10.478 1.00 0.00 C ATOM 1191 O GLY A 501 -3.264 2.377 9.528 1.00 0.00 O ATOM 0 H GLY A 501 -4.186 0.584 11.039 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -3.430 2.546 12.429 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -1.837 1.816 12.382 1.00 0.00 H new ATOM 1195 N THR A 502 -1.435 3.350 10.434 1.00 0.00 N ATOM 1196 CA THR A 502 -1.062 4.044 9.213 1.00 0.00 C ATOM 1197 C THR A 502 0.413 3.797 8.888 1.00 0.00 C ATOM 1198 O THR A 502 1.272 3.910 9.762 1.00 0.00 O ATOM 1199 CB THR A 502 -1.407 5.524 9.386 1.00 0.00 C ATOM 1200 OG1 THR A 502 -2.625 5.513 10.125 1.00 0.00 O ATOM 1201 CG2 THR A 502 -1.780 6.197 8.063 1.00 0.00 C ATOM 0 H THR A 502 -0.811 3.512 11.224 1.00 0.00 H new ATOM 0 HA THR A 502 -1.619 3.664 8.356 1.00 0.00 H new ATOM 0 HB THR A 502 -0.559 6.044 9.832 1.00 0.00 H new ATOM 0 HG1 THR A 502 -2.920 6.434 10.283 1.00 0.00 H new ATOM 0 HG21 THR A 502 -2.016 7.246 8.242 1.00 0.00 H new ATOM 0 HG22 THR A 502 -0.942 6.127 7.370 1.00 0.00 H new ATOM 0 HG23 THR A 502 -2.649 5.698 7.633 1.00 0.00 H new ATOM 1209 N SER A 503 0.661 3.465 7.630 1.00 0.00 N ATOM 1210 CA SER A 503 2.017 3.202 7.179 1.00 0.00 C ATOM 1211 C SER A 503 2.306 3.989 5.899 1.00 0.00 C ATOM 1212 O SER A 503 1.401 4.243 5.106 1.00 0.00 O ATOM 1213 CB SER A 503 2.238 1.706 6.944 1.00 0.00 C ATOM 1214 OG SER A 503 1.033 1.038 6.582 1.00 0.00 O ATOM 0 H SER A 503 -0.054 3.372 6.909 1.00 0.00 H new ATOM 0 HA SER A 503 2.706 3.526 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 503 2.979 1.569 6.157 1.00 0.00 H new ATOM 0 HB3 SER A 503 2.646 1.254 7.848 1.00 0.00 H new ATOM 0 HG SER A 503 1.217 0.086 6.439 1.00 0.00 H new ATOM 1220 N THR A 504 3.570 4.352 5.739 1.00 0.00 N ATOM 1221 CA THR A 504 3.989 5.106 4.569 1.00 0.00 C ATOM 1222 C THR A 504 4.918 4.260 3.695 1.00 0.00 C ATOM 1223 O THR A 504 5.787 3.557 4.207 1.00 0.00 O ATOM 1224 CB THR A 504 4.627 6.410 5.050 1.00 0.00 C ATOM 1225 OG1 THR A 504 3.525 7.186 5.513 1.00 0.00 O ATOM 1226 CG2 THR A 504 5.208 7.237 3.901 1.00 0.00 C ATOM 0 H THR A 504 4.317 4.138 6.399 1.00 0.00 H new ATOM 0 HA THR A 504 3.139 5.359 3.935 1.00 0.00 H new ATOM 0 HB THR A 504 5.414 6.184 5.769 1.00 0.00 H new ATOM 0 HG1 THR A 504 3.644 7.388 6.465 1.00 0.00 H new ATOM 0 HG21 THR A 504 5.648 8.152 4.298 1.00 0.00 H new ATOM 0 HG22 THR A 504 5.975 6.658 3.388 1.00 0.00 H new ATOM 0 HG23 THR A 504 4.415 7.491 3.198 1.00 0.00 H new ATOM 1234 N TYR A 505 4.702 4.358 2.392 1.00 0.00 N ATOM 1235 CA TYR A 505 5.509 3.610 1.442 1.00 0.00 C ATOM 1236 C TYR A 505 6.272 4.554 0.509 1.00 0.00 C ATOM 1237 O TYR A 505 5.675 5.420 -0.127 1.00 0.00 O ATOM 1238 CB TYR A 505 4.526 2.780 0.615 1.00 0.00 C ATOM 1239 CG TYR A 505 5.192 1.715 -0.259 1.00 0.00 C ATOM 1240 CD1 TYR A 505 6.154 0.884 0.278 1.00 0.00 C ATOM 1241 CD2 TYR A 505 4.832 1.586 -1.585 1.00 0.00 C ATOM 1242 CE1 TYR A 505 6.781 -0.118 -0.544 1.00 0.00 C ATOM 1243 CE2 TYR A 505 5.459 0.584 -2.408 1.00 0.00 C ATOM 1244 CZ TYR A 505 6.403 -0.218 -1.847 1.00 0.00 C ATOM 1245 OH TYR A 505 6.995 -1.165 -2.623 1.00 0.00 O ATOM 0 H TYR A 505 3.980 4.943 1.971 1.00 0.00 H new ATOM 0 HA TYR A 505 6.242 2.993 1.962 1.00 0.00 H new ATOM 0 HB2 TYR A 505 3.821 2.293 1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 505 3.948 3.449 -0.022 1.00 0.00 H new ATOM 0 HD1 TYR A 505 6.437 0.985 1.315 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.080 2.237 -2.006 1.00 0.00 H new ATOM 0 HE1 TYR A 505 7.534 -0.775 -0.135 1.00 0.00 H new ATOM 0 HE2 TYR A 505 5.186 0.472 -3.447 1.00 0.00 H new ATOM 0 HH TYR A 505 7.219 -1.945 -2.074 1.00 0.00 H new ATOM 1255 N THR A 506 7.581 4.353 0.458 1.00 0.00 N ATOM 1256 CA THR A 506 8.432 5.174 -0.385 1.00 0.00 C ATOM 1257 C THR A 506 9.406 4.298 -1.176 1.00 0.00 C ATOM 1258 O THR A 506 9.833 3.250 -0.695 1.00 0.00 O ATOM 1259 CB THR A 506 9.128 6.205 0.506 1.00 0.00 C ATOM 1260 OG1 THR A 506 8.144 7.217 0.701 1.00 0.00 O ATOM 1261 CG2 THR A 506 10.268 6.927 -0.214 1.00 0.00 C ATOM 0 H THR A 506 8.073 3.633 0.987 1.00 0.00 H new ATOM 0 HA THR A 506 7.847 5.711 -1.132 1.00 0.00 H new ATOM 0 HB THR A 506 9.517 5.711 1.396 1.00 0.00 H new ATOM 0 HG1 THR A 506 8.511 7.925 1.270 1.00 0.00 H new ATOM 0 HG21 THR A 506 10.728 7.647 0.463 1.00 0.00 H new ATOM 0 HG22 THR A 506 11.015 6.200 -0.532 1.00 0.00 H new ATOM 0 HG23 THR A 506 9.875 7.449 -1.086 1.00 0.00 H new ATOM 1269 N PRO A 507 9.737 4.773 -2.406 1.00 0.00 N ATOM 1270 CA PRO A 507 10.652 4.044 -3.268 1.00 0.00 C ATOM 1271 C PRO A 507 12.096 4.192 -2.785 1.00 0.00 C ATOM 1272 O PRO A 507 12.474 5.239 -2.261 1.00 0.00 O ATOM 1273 CB PRO A 507 10.428 4.620 -4.657 1.00 0.00 C ATOM 1274 CG PRO A 507 9.740 5.959 -4.446 1.00 0.00 C ATOM 1275 CD PRO A 507 9.250 6.011 -3.008 1.00 0.00 C ATOM 0 HA PRO A 507 10.468 2.970 -3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 507 11.373 4.745 -5.185 1.00 0.00 H new ATOM 0 HB3 PRO A 507 9.811 3.955 -5.261 1.00 0.00 H new ATOM 0 HG2 PRO A 507 10.431 6.778 -4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 507 8.905 6.072 -5.138 1.00 0.00 H new ATOM 0 HD2 PRO A 507 9.641 6.885 -2.488 1.00 0.00 H new ATOM 0 HD3 PRO A 507 8.163 6.073 -2.962 1.00 0.00 H new ATOM 1283 N GLY A 508 12.863 3.130 -2.978 1.00 0.00 N ATOM 1284 CA GLY A 508 14.257 3.128 -2.567 1.00 0.00 C ATOM 1285 C GLY A 508 15.169 3.540 -3.724 1.00 0.00 C ATOM 1286 O GLY A 508 14.829 4.431 -4.501 1.00 0.00 O ATOM 0 H GLY A 508 12.546 2.264 -3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 508 14.394 3.812 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 508 14.535 2.134 -2.216 1.00 0.00 H new ATOM 1290 N ASN A 509 16.311 2.872 -3.802 1.00 0.00 N ATOM 1291 CA ASN A 509 17.275 3.158 -4.851 1.00 0.00 C ATOM 1292 C ASN A 509 18.664 2.702 -4.399 1.00 0.00 C ATOM 1293 O ASN A 509 19.296 3.355 -3.569 1.00 0.00 O ATOM 1294 CB ASN A 509 17.342 4.658 -5.144 1.00 0.00 C ATOM 1295 CG ASN A 509 17.347 5.470 -3.848 1.00 0.00 C ATOM 1296 OD1 ASN A 509 18.563 5.723 -3.372 1.00 0.00 O flip ATOM 1297 ND2 ASN A 509 16.315 5.843 -3.315 1.00 0.00 N flip ATOM 0 H ASN A 509 16.590 2.134 -3.156 1.00 0.00 H new ATOM 0 HA ASN A 509 16.961 2.629 -5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 509 18.241 4.880 -5.720 1.00 0.00 H new ATOM 0 HB3 ASN A 509 16.490 4.951 -5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 509 15.413 5.614 -3.733 1.00 0.00 H new ATOM 0 HD22 ASN A 509 16.354 6.384 -2.451 1.00 0.00 H new ATOM 1304 N SER A 510 19.099 1.585 -4.964 1.00 0.00 N ATOM 1305 CA SER A 510 20.401 1.035 -4.628 1.00 0.00 C ATOM 1306 C SER A 510 20.429 0.617 -3.157 1.00 0.00 C ATOM 1307 O SER A 510 20.375 1.463 -2.266 1.00 0.00 O ATOM 1308 CB SER A 510 21.515 2.043 -4.915 1.00 0.00 C ATOM 1309 OG SER A 510 21.955 1.982 -6.269 1.00 0.00 O ATOM 0 H SER A 510 18.573 1.046 -5.652 1.00 0.00 H new ATOM 0 HA SER A 510 20.573 0.157 -5.251 1.00 0.00 H new ATOM 0 HB2 SER A 510 21.159 3.049 -4.695 1.00 0.00 H new ATOM 0 HB3 SER A 510 22.358 1.851 -4.251 1.00 0.00 H new ATOM 0 HG SER A 510 22.665 2.642 -6.412 1.00 0.00 H new ATOM 1315 N GLY A 511 20.515 -0.689 -2.948 1.00 0.00 N ATOM 1316 CA GLY A 511 20.551 -1.230 -1.599 1.00 0.00 C ATOM 1317 C GLY A 511 19.155 -1.235 -0.973 1.00 0.00 C ATOM 1318 O GLY A 511 18.798 -2.164 -0.251 1.00 0.00 O ATOM 0 H GLY A 511 20.561 -1.388 -3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 511 20.947 -2.245 -1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 511 21.227 -0.637 -0.983 1.00 0.00 H new ATOM 1322 N ASN A 512 18.403 -0.186 -1.273 1.00 0.00 N ATOM 1323 CA ASN A 512 17.054 -0.058 -0.748 1.00 0.00 C ATOM 1324 C ASN A 512 16.064 -0.668 -1.743 1.00 0.00 C ATOM 1325 O ASN A 512 16.389 -0.848 -2.916 1.00 0.00 O ATOM 1326 CB ASN A 512 16.678 1.412 -0.548 1.00 0.00 C ATOM 1327 CG ASN A 512 17.132 1.912 0.824 1.00 0.00 C ATOM 1328 OD1 ASN A 512 16.342 2.123 1.729 1.00 0.00 O ATOM 1329 ND2 ASN A 512 18.446 2.089 0.928 1.00 0.00 N ATOM 0 H ASN A 512 18.702 0.583 -1.873 1.00 0.00 H new ATOM 0 HA ASN A 512 17.015 -0.574 0.211 1.00 0.00 H new ATOM 0 HB2 ASN A 512 17.136 2.018 -1.330 1.00 0.00 H new ATOM 0 HB3 ASN A 512 15.599 1.531 -0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 512 18.848 2.420 1.805 1.00 0.00 H new ATOM 0 HD22 ASN A 512 19.052 1.893 0.131 1.00 0.00 H new ATOM 1336 N ALA A 513 14.877 -0.968 -1.238 1.00 0.00 N ATOM 1337 CA ALA A 513 13.838 -1.555 -2.067 1.00 0.00 C ATOM 1338 C ALA A 513 12.491 -1.435 -1.351 1.00 0.00 C ATOM 1339 O ALA A 513 12.194 -2.214 -0.447 1.00 0.00 O ATOM 1340 CB ALA A 513 14.200 -3.006 -2.390 1.00 0.00 C ATOM 0 H ALA A 513 14.611 -0.816 -0.265 1.00 0.00 H new ATOM 0 HA ALA A 513 13.756 -1.022 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 513 13.420 -3.446 -3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 513 15.149 -3.034 -2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 513 14.289 -3.574 -1.464 1.00 0.00 H new ATOM 1346 N GLY A 514 11.713 -0.453 -1.782 1.00 0.00 N ATOM 1347 CA GLY A 514 10.405 -0.221 -1.193 1.00 0.00 C ATOM 1348 C GLY A 514 10.507 -0.073 0.327 1.00 0.00 C ATOM 1349 O GLY A 514 10.554 -1.067 1.049 1.00 0.00 O ATOM 0 H GLY A 514 11.963 0.191 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 514 9.964 0.679 -1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 514 9.740 -1.049 -1.438 1.00 0.00 H new ATOM 1353 N THR A 515 10.539 1.176 0.767 1.00 0.00 N ATOM 1354 CA THR A 515 10.635 1.467 2.187 1.00 0.00 C ATOM 1355 C THR A 515 9.241 1.659 2.788 1.00 0.00 C ATOM 1356 O THR A 515 8.378 2.286 2.175 1.00 0.00 O ATOM 1357 CB THR A 515 11.543 2.686 2.360 1.00 0.00 C ATOM 1358 OG1 THR A 515 11.384 3.413 1.145 1.00 0.00 O ATOM 1359 CG2 THR A 515 13.027 2.313 2.379 1.00 0.00 C ATOM 0 H THR A 515 10.500 1.998 0.165 1.00 0.00 H new ATOM 0 HA THR A 515 11.078 0.633 2.732 1.00 0.00 H new ATOM 0 HB THR A 515 11.286 3.201 3.286 1.00 0.00 H new ATOM 0 HG1 THR A 515 10.430 3.541 0.963 1.00 0.00 H new ATOM 0 HG21 THR A 515 13.627 3.214 2.504 1.00 0.00 H new ATOM 0 HG22 THR A 515 13.220 1.631 3.207 1.00 0.00 H new ATOM 0 HG23 THR A 515 13.292 1.828 1.440 1.00 0.00 H new ATOM 1367 N ILE A 516 9.064 1.108 3.979 1.00 0.00 N ATOM 1368 CA ILE A 516 7.789 1.210 4.669 1.00 0.00 C ATOM 1369 C ILE A 516 8.004 1.866 6.034 1.00 0.00 C ATOM 1370 O ILE A 516 8.975 1.565 6.726 1.00 0.00 O ATOM 1371 CB ILE A 516 7.110 -0.160 4.745 1.00 0.00 C ATOM 1372 CG1 ILE A 516 7.286 -0.932 3.437 1.00 0.00 C ATOM 1373 CG2 ILE A 516 5.637 -0.020 5.135 1.00 0.00 C ATOM 1374 CD1 ILE A 516 6.999 -2.422 3.637 1.00 0.00 C ATOM 0 H ILE A 516 9.782 0.589 4.484 1.00 0.00 H new ATOM 0 HA ILE A 516 7.104 1.849 4.112 1.00 0.00 H new ATOM 0 HB ILE A 516 7.597 -0.740 5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 516 6.616 -0.527 2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 516 8.303 -0.800 3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 516 5.178 -1.007 5.182 1.00 0.00 H new ATOM 0 HG22 ILE A 516 5.563 0.461 6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 516 5.120 0.586 4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 516 7.131 -2.948 2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 516 7.687 -2.829 4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 516 5.974 -2.552 3.984 1.00 0.00 H new ATOM 1386 N THR A 517 7.081 2.752 6.381 1.00 0.00 N ATOM 1387 CA THR A 517 7.158 3.454 7.651 1.00 0.00 C ATOM 1388 C THR A 517 5.818 3.375 8.385 1.00 0.00 C ATOM 1389 O THR A 517 4.792 3.067 7.781 1.00 0.00 O ATOM 1390 CB THR A 517 7.614 4.887 7.372 1.00 0.00 C ATOM 1391 OG1 THR A 517 7.743 4.941 5.954 1.00 0.00 O ATOM 1392 CG2 THR A 517 9.029 5.161 7.885 1.00 0.00 C ATOM 0 H THR A 517 6.277 2.999 5.805 1.00 0.00 H new ATOM 0 HA THR A 517 7.886 2.990 8.316 1.00 0.00 H new ATOM 0 HB THR A 517 6.918 5.586 7.835 1.00 0.00 H new ATOM 0 HG1 THR A 517 8.034 5.838 5.686 1.00 0.00 H new ATOM 0 HG21 THR A 517 9.304 6.192 7.662 1.00 0.00 H new ATOM 0 HG22 THR A 517 9.062 5.002 8.963 1.00 0.00 H new ATOM 0 HG23 THR A 517 9.730 4.485 7.397 1.00 0.00 H new ATOM 1400 N SER A 518 5.871 3.658 9.679 1.00 0.00 N ATOM 1401 CA SER A 518 4.674 3.623 10.502 1.00 0.00 C ATOM 1402 C SER A 518 4.216 5.047 10.821 1.00 0.00 C ATOM 1403 O SER A 518 4.656 5.639 11.806 1.00 0.00 O ATOM 1404 CB SER A 518 4.918 2.842 11.795 1.00 0.00 C ATOM 1405 OG SER A 518 6.073 3.306 12.489 1.00 0.00 O ATOM 0 H SER A 518 6.724 3.912 10.177 1.00 0.00 H new ATOM 0 HA SER A 518 3.890 3.113 9.943 1.00 0.00 H new ATOM 0 HB2 SER A 518 4.046 2.931 12.443 1.00 0.00 H new ATOM 0 HB3 SER A 518 5.036 1.784 11.563 1.00 0.00 H new ATOM 0 HG SER A 518 6.056 4.285 12.534 1.00 0.00 H new ATOM 1411 N GLY A 519 3.338 5.557 9.970 1.00 0.00 N ATOM 1412 CA GLY A 519 2.816 6.901 10.149 1.00 0.00 C ATOM 1413 C GLY A 519 2.891 7.697 8.844 1.00 0.00 C ATOM 1414 O GLY A 519 3.929 7.717 8.184 1.00 0.00 O ATOM 0 H GLY A 519 2.975 5.064 9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 519 1.782 6.851 10.490 1.00 0.00 H new ATOM 0 HA3 GLY A 519 3.383 7.415 10.926 1.00 0.00 H new ATOM 1418 N ALA A 520 1.778 8.333 8.511 1.00 0.00 N ATOM 1419 CA ALA A 520 1.704 9.128 7.297 1.00 0.00 C ATOM 1420 C ALA A 520 2.680 10.302 7.401 1.00 0.00 C ATOM 1421 O ALA A 520 2.982 10.767 8.499 1.00 0.00 O ATOM 1422 CB ALA A 520 0.262 9.587 7.074 1.00 0.00 C ATOM 0 H ALA A 520 0.919 8.314 9.061 1.00 0.00 H new ATOM 0 HA ALA A 520 1.994 8.533 6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 520 0.207 10.183 6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -0.386 8.716 6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -0.063 10.189 7.922 1.00 0.00 H new ATOM 1428 N PRO A 521 3.159 10.758 6.213 1.00 0.00 N ATOM 1429 CA PRO A 521 4.094 11.869 6.159 1.00 0.00 C ATOM 1430 C PRO A 521 3.383 13.198 6.423 1.00 0.00 C ATOM 1431 O PRO A 521 2.204 13.348 6.107 1.00 0.00 O ATOM 1432 CB PRO A 521 4.717 11.793 4.775 1.00 0.00 C ATOM 1433 CG PRO A 521 3.778 10.934 3.942 1.00 0.00 C ATOM 1434 CD PRO A 521 2.823 10.231 4.893 1.00 0.00 C ATOM 0 HA PRO A 521 4.862 11.810 6.930 1.00 0.00 H new ATOM 0 HB2 PRO A 521 4.826 12.787 4.341 1.00 0.00 H new ATOM 0 HB3 PRO A 521 5.713 11.353 4.819 1.00 0.00 H new ATOM 0 HG2 PRO A 521 3.226 11.550 3.232 1.00 0.00 H new ATOM 0 HG3 PRO A 521 4.342 10.205 3.360 1.00 0.00 H new ATOM 0 HD2 PRO A 521 1.784 10.439 4.636 1.00 0.00 H new ATOM 0 HD3 PRO A 521 2.951 9.149 4.854 1.00 0.00 H new ATOM 1442 N ALA A 522 4.131 14.128 6.999 1.00 0.00 N ATOM 1443 CA ALA A 522 3.586 15.439 7.309 1.00 0.00 C ATOM 1444 C ALA A 522 4.148 16.465 6.323 1.00 0.00 C ATOM 1445 O ALA A 522 4.695 17.489 6.731 1.00 0.00 O ATOM 1446 CB ALA A 522 3.904 15.793 8.763 1.00 0.00 C ATOM 0 H ALA A 522 5.109 14.000 7.259 1.00 0.00 H new ATOM 0 HA ALA A 522 2.501 15.439 7.203 1.00 0.00 H new ATOM 0 HB1 ALA A 522 3.495 16.776 8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 522 3.459 15.049 9.424 1.00 0.00 H new ATOM 0 HB3 ALA A 522 4.984 15.806 8.906 1.00 0.00 H new ATOM 1452 N GLY A 523 3.992 16.156 5.044 1.00 0.00 N ATOM 1453 CA GLY A 523 4.477 17.039 3.996 1.00 0.00 C ATOM 1454 C GLY A 523 4.104 18.494 4.289 1.00 0.00 C ATOM 1455 O GLY A 523 2.946 18.796 4.573 1.00 0.00 O ATOM 0 H GLY A 523 3.537 15.307 4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 523 5.560 16.948 3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 523 4.055 16.738 3.037 1.00 0.00 H new TER 1459 GLY A 523