USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 625 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 609 SER OG : rot 180:sc= -0.0906 USER MOD Set 1.2: A 610 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 537 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 578 THR OG1 : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -1.35 X(o=-1.4,f=-1.8!) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 539 TYR OH : rot 165:sc= -0.598 USER MOD Single : A 540 TYR OH : rot 180:sc= -0.315 USER MOD Single : A 541 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -0.0897 X(o=-0.09,f=0) USER MOD Single : A 546 SER OG : rot 180:sc= 0 USER MOD Single : A 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 550 HIS : no HD1:sc= -5.06 K(o=-5.1,f=-2.9!) USER MOD Single : A 551 TYR OH : rot 150:sc= -4.86! USER MOD Single : A 557 SER OG : rot 73:sc= -0.112! USER MOD Single : A 559 THR OG1 : rot 111:sc= 0.641 USER MOD Single : A 565 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.649) USER MOD Single : A 566 MET CE :methyl -112:sc= -5.25! (180deg=-13.2!) USER MOD Single : A 567 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 572 SER OG : rot 74:sc= 0.538 USER MOD Single : A 574 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 583 SER OG : rot 180:sc= 0 USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.045) USER MOD Single : A 592 ASN : amide:sc= -0.122 K(o=-0.12,f=-0.88) USER MOD Single : A 595 ASN : amide:sc= -1.3 K(o=-1.3,f=-1.9!) USER MOD Single : A 596 ASN : amide:sc= -0.0274 X(o=-0.027,f=0.021) USER MOD Single : A 597 ASN : amide:sc= -1.95 K(o=-1.9,f=-0.65) USER MOD Single : A 605 ASN : amide:sc= -1.03 X(o=-1,f=-1!) USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 612 THR OG1 : rot 180:sc= -0.0158 USER MOD Single : A 613 SER OG : rot 180:sc= 0 USER MOD Single : A 614 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 615 TYR OH : rot 167:sc= 0.89 USER MOD Single : A 616 THR OG1 : rot 180:sc= 0 USER MOD Single : A 625 THR OG1 : rot -36:sc= 0.705 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N ASN A 534 -3.567 13.722 -7.394 1.00 0.00 N ATOM 44 CA ASN A 534 -2.720 12.583 -7.704 1.00 0.00 C ATOM 45 C ASN A 534 -3.052 11.432 -6.751 1.00 0.00 C ATOM 46 O ASN A 534 -3.360 11.659 -5.582 1.00 0.00 O ATOM 47 CB ASN A 534 -1.241 12.931 -7.526 1.00 0.00 C ATOM 48 CG ASN A 534 -0.981 14.403 -7.854 1.00 0.00 C ATOM 49 OD1 ASN A 534 -1.689 15.027 -8.627 1.00 0.00 O ATOM 50 ND2 ASN A 534 0.071 14.919 -7.226 1.00 0.00 N ATOM 0 HA ASN A 534 -2.902 12.300 -8.741 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -0.936 12.724 -6.500 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -0.634 12.298 -8.173 1.00 0.00 H new ATOM 0 HD21 ASN A 534 0.328 15.894 -7.379 1.00 0.00 H new ATOM 0 HD22 ASN A 534 0.621 14.340 -6.592 1.00 0.00 H new ATOM 57 N LYS A 535 -2.980 10.223 -7.287 1.00 0.00 N ATOM 58 CA LYS A 535 -3.269 9.036 -6.499 1.00 0.00 C ATOM 59 C LYS A 535 -2.302 7.919 -6.895 1.00 0.00 C ATOM 60 O LYS A 535 -1.864 7.849 -8.042 1.00 0.00 O ATOM 61 CB LYS A 535 -4.743 8.651 -6.634 1.00 0.00 C ATOM 62 CG LYS A 535 -5.630 9.894 -6.726 1.00 0.00 C ATOM 63 CD LYS A 535 -7.086 9.555 -6.404 1.00 0.00 C ATOM 64 CE LYS A 535 -7.951 9.600 -7.665 1.00 0.00 C ATOM 65 NZ LYS A 535 -8.760 8.366 -7.783 1.00 0.00 N ATOM 0 H LYS A 535 -2.726 10.039 -8.258 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.111 9.233 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -4.881 8.035 -7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -5.045 8.048 -5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -5.269 10.655 -6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -5.565 10.318 -7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -7.142 8.563 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -7.473 10.260 -5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -8.607 10.470 -7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -7.317 9.712 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -9.341 8.413 -8.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -8.129 7.541 -7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -9.379 8.276 -6.952 1.00 0.00 H new ATOM 78 N VAL A 536 -1.998 7.071 -5.923 1.00 0.00 N ATOM 79 CA VAL A 536 -1.091 5.960 -6.155 1.00 0.00 C ATOM 80 C VAL A 536 -1.851 4.643 -5.983 1.00 0.00 C ATOM 81 O VAL A 536 -2.511 4.432 -4.967 1.00 0.00 O ATOM 82 CB VAL A 536 0.124 6.075 -5.233 1.00 0.00 C ATOM 83 CG1 VAL A 536 1.344 5.384 -5.846 1.00 0.00 C ATOM 84 CG2 VAL A 536 0.428 7.538 -4.906 1.00 0.00 C ATOM 0 H VAL A 536 -2.364 7.131 -4.973 1.00 0.00 H new ATOM 0 HA VAL A 536 -0.710 5.984 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 536 -0.115 5.567 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 536 2.194 5.480 -5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 536 1.123 4.328 -6.003 1.00 0.00 H new ATOM 0 HG13 VAL A 536 1.585 5.851 -6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 536 1.296 7.591 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 536 0.637 8.081 -5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -0.432 7.986 -4.408 1.00 0.00 H new ATOM 94 N THR A 537 -1.732 3.792 -6.991 1.00 0.00 N ATOM 95 CA THR A 537 -2.399 2.501 -6.964 1.00 0.00 C ATOM 96 C THR A 537 -1.403 1.394 -6.612 1.00 0.00 C ATOM 97 O THR A 537 -0.355 1.273 -7.245 1.00 0.00 O ATOM 98 CB THR A 537 -3.085 2.295 -8.315 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.188 3.197 -8.286 1.00 0.00 O ATOM 100 CG2 THR A 537 -3.735 0.915 -8.437 1.00 0.00 C ATOM 0 H THR A 537 -1.183 3.971 -7.832 1.00 0.00 H new ATOM 0 HA THR A 537 -3.163 2.466 -6.187 1.00 0.00 H new ATOM 0 HB THR A 537 -2.357 2.425 -9.115 1.00 0.00 H new ATOM 0 HG1 THR A 537 -4.688 3.130 -9.126 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.208 0.821 -9.415 1.00 0.00 H new ATOM 0 HG22 THR A 537 -2.973 0.143 -8.326 1.00 0.00 H new ATOM 0 HG23 THR A 537 -4.487 0.797 -7.657 1.00 0.00 H new ATOM 108 N VAL A 538 -1.766 0.614 -5.605 1.00 0.00 N ATOM 109 CA VAL A 538 -0.918 -0.480 -5.162 1.00 0.00 C ATOM 110 C VAL A 538 -1.732 -1.775 -5.141 1.00 0.00 C ATOM 111 O VAL A 538 -2.825 -1.816 -4.578 1.00 0.00 O ATOM 112 CB VAL A 538 -0.296 -0.143 -3.805 1.00 0.00 C ATOM 113 CG1 VAL A 538 1.017 -0.902 -3.601 1.00 0.00 C ATOM 114 CG2 VAL A 538 -0.086 1.366 -3.658 1.00 0.00 C ATOM 0 H VAL A 538 -2.636 0.718 -5.083 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.091 -0.627 -5.857 1.00 0.00 H new ATOM 0 HB VAL A 538 -0.991 -0.462 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 538 1.439 -0.645 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.827 -1.975 -3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.722 -0.628 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 538 0.357 1.579 -2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 538 0.580 1.719 -4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -1.046 1.876 -3.739 1.00 0.00 H new ATOM 124 N TYR A 539 -1.168 -2.801 -5.760 1.00 0.00 N ATOM 125 CA TYR A 539 -1.828 -4.094 -5.820 1.00 0.00 C ATOM 126 C TYR A 539 -1.083 -5.130 -4.975 1.00 0.00 C ATOM 127 O TYR A 539 0.067 -5.458 -5.261 1.00 0.00 O ATOM 128 CB TYR A 539 -1.784 -4.524 -7.287 1.00 0.00 C ATOM 129 CG TYR A 539 -3.135 -4.447 -8.000 1.00 0.00 C ATOM 130 CD1 TYR A 539 -3.726 -3.221 -8.230 1.00 0.00 C ATOM 131 CD2 TYR A 539 -3.765 -5.605 -8.412 1.00 0.00 C ATOM 132 CE1 TYR A 539 -4.998 -3.150 -8.901 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.037 -5.533 -9.083 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.591 -4.309 -9.294 1.00 0.00 C ATOM 135 OH TYR A 539 -6.793 -4.241 -9.927 1.00 0.00 O ATOM 0 H TYR A 539 -0.261 -2.763 -6.225 1.00 0.00 H new ATOM 0 HA TYR A 539 -2.846 -4.022 -5.436 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.069 -3.896 -7.818 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -1.413 -5.547 -7.344 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -3.234 -2.315 -7.907 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -3.304 -6.565 -8.231 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -5.471 -2.197 -9.088 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -5.540 -6.431 -9.411 1.00 0.00 H new ATOM 0 HH TYR A 539 -6.984 -5.100 -10.359 1.00 0.00 H new ATOM 145 N TYR A 540 -1.770 -5.615 -3.951 1.00 0.00 N ATOM 146 CA TYR A 540 -1.187 -6.606 -3.062 1.00 0.00 C ATOM 147 C TYR A 540 -1.888 -7.958 -3.214 1.00 0.00 C ATOM 148 O TYR A 540 -3.111 -8.018 -3.327 1.00 0.00 O ATOM 149 CB TYR A 540 -1.414 -6.085 -1.642 1.00 0.00 C ATOM 150 CG TYR A 540 -0.977 -7.057 -0.545 1.00 0.00 C ATOM 151 CD1 TYR A 540 -1.857 -8.011 -0.076 1.00 0.00 C ATOM 152 CD2 TYR A 540 0.299 -6.980 -0.023 1.00 0.00 C ATOM 153 CE1 TYR A 540 -1.445 -8.926 0.956 1.00 0.00 C ATOM 154 CE2 TYR A 540 0.711 -7.895 1.010 1.00 0.00 C ATOM 155 CZ TYR A 540 -0.182 -8.823 1.449 1.00 0.00 C ATOM 156 OH TYR A 540 0.207 -9.687 2.424 1.00 0.00 O ATOM 0 H TYR A 540 -2.724 -5.340 -3.717 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.131 -6.752 -3.290 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -0.872 -5.147 -1.519 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -2.473 -5.860 -1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 540 -2.855 -8.071 -0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 540 0.988 -6.234 -0.389 1.00 0.00 H new ATOM 0 HE1 TYR A 540 -2.124 -9.678 1.330 1.00 0.00 H new ATOM 0 HE2 TYR A 540 1.706 -7.846 1.427 1.00 0.00 H new ATOM 0 HH TYR A 540 1.134 -9.497 2.679 1.00 0.00 H new ATOM 166 N LYS A 541 -1.082 -9.010 -3.212 1.00 0.00 N ATOM 167 CA LYS A 541 -1.610 -10.357 -3.348 1.00 0.00 C ATOM 168 C LYS A 541 -1.992 -10.892 -1.967 1.00 0.00 C ATOM 169 O LYS A 541 -1.135 -11.045 -1.098 1.00 0.00 O ATOM 170 CB LYS A 541 -0.618 -11.247 -4.100 1.00 0.00 C ATOM 171 CG LYS A 541 -1.270 -12.568 -4.512 1.00 0.00 C ATOM 172 CD LYS A 541 -0.923 -12.924 -5.958 1.00 0.00 C ATOM 173 CE LYS A 541 0.358 -13.759 -6.025 1.00 0.00 C ATOM 174 NZ LYS A 541 1.381 -13.074 -6.847 1.00 0.00 N ATOM 0 H LYS A 541 -0.068 -8.957 -3.118 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.518 -10.352 -3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.254 -10.725 -4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.248 -11.446 -3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -0.936 -13.365 -3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -2.352 -12.493 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -1.747 -13.479 -6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 541 -0.797 -12.012 -6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 541 0.743 -13.926 -5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 541 0.139 -14.739 -6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 2.244 -13.654 -6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 1.017 -12.937 -7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 1.603 -12.149 -6.426 1.00 0.00 H new ATOM 187 N LYS A 542 -3.279 -11.163 -1.807 1.00 0.00 N ATOM 188 CA LYS A 542 -3.785 -11.678 -0.547 1.00 0.00 C ATOM 189 C LYS A 542 -3.664 -13.203 -0.538 1.00 0.00 C ATOM 190 O LYS A 542 -3.868 -13.851 -1.564 1.00 0.00 O ATOM 191 CB LYS A 542 -5.207 -11.173 -0.293 1.00 0.00 C ATOM 192 CG LYS A 542 -6.036 -12.221 0.451 1.00 0.00 C ATOM 193 CD LYS A 542 -7.113 -11.557 1.312 1.00 0.00 C ATOM 194 CE LYS A 542 -8.055 -10.709 0.455 1.00 0.00 C ATOM 195 NZ LYS A 542 -9.459 -10.909 0.875 1.00 0.00 N ATOM 0 H LYS A 542 -3.987 -11.035 -2.530 1.00 0.00 H new ATOM 0 HA LYS A 542 -3.186 -11.305 0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -5.171 -10.252 0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -5.686 -10.932 -1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -6.503 -12.896 -0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -5.384 -12.826 1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -7.684 -12.321 1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -6.643 -10.931 2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -7.789 -9.656 0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -7.942 -10.978 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -10.085 -10.326 0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -9.714 -11.911 0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -9.566 -10.630 1.871 1.00 0.00 H new ATOM 208 N GLY A 543 -3.332 -13.732 0.630 1.00 0.00 N ATOM 209 CA GLY A 543 -3.108 -12.893 1.795 1.00 0.00 C ATOM 210 C GLY A 543 -3.582 -13.590 3.072 1.00 0.00 C ATOM 211 O GLY A 543 -3.242 -14.747 3.315 1.00 0.00 O ATOM 0 H GLY A 543 -3.213 -14.731 0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -2.047 -12.656 1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -3.638 -11.948 1.674 1.00 0.00 H new ATOM 215 N PHE A 544 -4.360 -12.857 3.854 1.00 0.00 N ATOM 216 CA PHE A 544 -4.884 -13.390 5.100 1.00 0.00 C ATOM 217 C PHE A 544 -6.414 -13.361 5.108 1.00 0.00 C ATOM 218 O PHE A 544 -7.052 -13.777 4.142 1.00 0.00 O ATOM 219 CB PHE A 544 -4.363 -12.493 6.225 1.00 0.00 C ATOM 220 CG PHE A 544 -2.864 -12.200 6.142 1.00 0.00 C ATOM 221 CD1 PHE A 544 -2.383 -11.385 5.165 1.00 0.00 C ATOM 222 CD2 PHE A 544 -2.012 -12.753 7.046 1.00 0.00 C ATOM 223 CE1 PHE A 544 -0.991 -11.113 5.089 1.00 0.00 C ATOM 224 CE2 PHE A 544 -0.620 -12.481 6.970 1.00 0.00 C ATOM 225 CZ PHE A 544 -0.139 -11.667 5.993 1.00 0.00 C ATOM 0 H PHE A 544 -4.640 -11.898 3.649 1.00 0.00 H new ATOM 0 HA PHE A 544 -4.566 -14.425 5.225 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -4.909 -11.550 6.206 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -4.578 -12.967 7.183 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -3.059 -10.945 4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -2.394 -13.399 7.822 1.00 0.00 H new ATOM 0 HE1 PHE A 544 -0.609 -10.466 4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 544 0.056 -12.921 7.688 1.00 0.00 H new ATOM 0 HZ PHE A 544 0.919 -11.460 5.935 1.00 0.00 H new ATOM 235 N ASN A 545 -6.959 -12.865 6.210 1.00 0.00 N ATOM 236 CA ASN A 545 -8.402 -12.777 6.356 1.00 0.00 C ATOM 237 C ASN A 545 -8.821 -11.305 6.352 1.00 0.00 C ATOM 238 O ASN A 545 -9.645 -10.893 5.536 1.00 0.00 O ATOM 239 CB ASN A 545 -8.860 -13.394 7.679 1.00 0.00 C ATOM 240 CG ASN A 545 -8.061 -14.659 7.999 1.00 0.00 C ATOM 241 OD1 ASN A 545 -7.520 -14.826 9.080 1.00 0.00 O ATOM 242 ND2 ASN A 545 -8.017 -15.538 7.002 1.00 0.00 N ATOM 0 H ASN A 545 -6.427 -12.520 7.009 1.00 0.00 H new ATOM 0 HA ASN A 545 -8.859 -13.319 5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -8.738 -12.669 8.484 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -9.922 -13.634 7.624 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -7.508 -16.414 7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -8.492 -15.336 6.122 1.00 0.00 H new ATOM 249 N SER A 546 -8.235 -10.553 7.271 1.00 0.00 N ATOM 250 CA SER A 546 -8.537 -9.136 7.383 1.00 0.00 C ATOM 251 C SER A 546 -7.244 -8.338 7.562 1.00 0.00 C ATOM 252 O SER A 546 -7.043 -7.698 8.593 1.00 0.00 O ATOM 253 CB SER A 546 -9.492 -8.867 8.548 1.00 0.00 C ATOM 254 OG SER A 546 -9.116 -9.581 9.723 1.00 0.00 O ATOM 0 H SER A 546 -7.552 -10.898 7.946 1.00 0.00 H new ATOM 0 HA SER A 546 -9.029 -8.817 6.464 1.00 0.00 H new ATOM 0 HB2 SER A 546 -9.509 -7.799 8.763 1.00 0.00 H new ATOM 0 HB3 SER A 546 -10.504 -9.151 8.260 1.00 0.00 H new ATOM 0 HG SER A 546 -9.749 -9.381 10.444 1.00 0.00 H new ATOM 260 N PRO A 547 -6.380 -8.402 6.514 1.00 0.00 N ATOM 261 CA PRO A 547 -5.112 -7.692 6.545 1.00 0.00 C ATOM 262 C PRO A 547 -5.318 -6.192 6.327 1.00 0.00 C ATOM 263 O PRO A 547 -6.153 -5.787 5.520 1.00 0.00 O ATOM 264 CB PRO A 547 -4.272 -8.340 5.457 1.00 0.00 C ATOM 265 CG PRO A 547 -5.252 -9.068 4.551 1.00 0.00 C ATOM 266 CD PRO A 547 -6.585 -9.149 5.277 1.00 0.00 C ATOM 0 HA PRO A 547 -4.613 -7.764 7.511 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -3.708 -7.591 4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -3.547 -9.033 5.884 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -5.364 -8.538 3.605 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -4.884 -10.067 4.315 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -7.388 -8.715 4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -6.863 -10.183 5.480 1.00 0.00 H new ATOM 274 N TYR A 548 -4.543 -5.408 7.063 1.00 0.00 N ATOM 275 CA TYR A 548 -4.631 -3.961 6.960 1.00 0.00 C ATOM 276 C TYR A 548 -3.287 -3.359 6.543 1.00 0.00 C ATOM 277 O TYR A 548 -2.238 -3.961 6.763 1.00 0.00 O ATOM 278 CB TYR A 548 -4.987 -3.460 8.361 1.00 0.00 C ATOM 279 CG TYR A 548 -6.490 -3.307 8.603 1.00 0.00 C ATOM 280 CD1 TYR A 548 -7.265 -4.420 8.858 1.00 0.00 C ATOM 281 CD2 TYR A 548 -7.071 -2.056 8.567 1.00 0.00 C ATOM 282 CE1 TYR A 548 -8.679 -4.276 9.086 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.485 -1.912 8.795 1.00 0.00 C ATOM 284 CZ TYR A 548 -9.220 -3.029 9.043 1.00 0.00 C ATOM 285 OH TYR A 548 -10.556 -2.893 9.259 1.00 0.00 O ATOM 0 H TYR A 548 -3.852 -5.747 7.732 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.370 -3.673 6.212 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.579 -4.152 9.098 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -4.503 -2.497 8.526 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -6.811 -5.399 8.887 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -6.465 -1.185 8.368 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -9.296 -5.139 9.287 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -8.952 -0.938 8.770 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.802 -1.946 9.199 1.00 0.00 H new ATOM 295 N ILE A 549 -3.364 -2.178 5.947 1.00 0.00 N ATOM 296 CA ILE A 549 -2.167 -1.488 5.496 1.00 0.00 C ATOM 297 C ILE A 549 -2.189 -0.048 6.012 1.00 0.00 C ATOM 298 O ILE A 549 -3.241 0.590 6.038 1.00 0.00 O ATOM 299 CB ILE A 549 -2.027 -1.595 3.976 1.00 0.00 C ATOM 300 CG1 ILE A 549 -2.747 -0.439 3.277 1.00 0.00 C ATOM 301 CG2 ILE A 549 -2.509 -2.958 3.476 1.00 0.00 C ATOM 302 CD1 ILE A 549 -4.265 -0.614 3.352 1.00 0.00 C ATOM 0 H ILE A 549 -4.236 -1.681 5.766 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.276 -1.961 5.909 1.00 0.00 H new ATOM 0 HB ILE A 549 -0.970 -1.516 3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -2.463 0.505 3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -2.434 -0.388 2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -2.399 -3.008 2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -1.914 -3.746 3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -3.558 -3.093 3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -4.753 0.220 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -4.548 -1.547 2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -4.577 -0.640 4.396 1.00 0.00 H new ATOM 314 N HIS A 550 -1.017 0.422 6.412 1.00 0.00 N ATOM 315 CA HIS A 550 -0.888 1.775 6.926 1.00 0.00 C ATOM 316 C HIS A 550 0.105 2.559 6.066 1.00 0.00 C ATOM 317 O HIS A 550 1.289 2.228 6.021 1.00 0.00 O ATOM 318 CB HIS A 550 -0.506 1.759 8.407 1.00 0.00 C ATOM 319 CG HIS A 550 -0.747 3.070 9.117 1.00 0.00 C ATOM 320 ND1 HIS A 550 -1.363 4.150 8.510 1.00 0.00 N ATOM 321 CD2 HIS A 550 -0.449 3.462 10.389 1.00 0.00 C ATOM 322 CE1 HIS A 550 -1.427 5.142 9.385 1.00 0.00 C ATOM 323 NE2 HIS A 550 -0.860 4.714 10.549 1.00 0.00 N ATOM 0 H HIS A 550 -0.147 -0.110 6.391 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.850 2.284 6.864 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -1.073 0.976 8.910 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.548 1.497 8.497 1.00 0.00 H new ATOM 0 HD2 HIS A 550 0.039 2.857 11.139 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -1.853 6.118 9.208 1.00 0.00 H new ATOM 0 HE2 HIS A 550 -0.767 5.265 11.402 1.00 0.00 H new ATOM 331 N TYR A 551 -0.414 3.582 5.403 1.00 0.00 N ATOM 332 CA TYR A 551 0.413 4.416 4.547 1.00 0.00 C ATOM 333 C TYR A 551 0.212 5.898 4.866 1.00 0.00 C ATOM 334 O TYR A 551 -0.792 6.277 5.468 1.00 0.00 O ATOM 335 CB TYR A 551 -0.057 4.146 3.116 1.00 0.00 C ATOM 336 CG TYR A 551 -1.521 3.715 3.012 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.511 4.494 3.575 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.852 2.547 2.355 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.890 4.088 3.478 1.00 0.00 C ATOM 340 CE2 TYR A 551 -3.230 2.141 2.258 1.00 0.00 C ATOM 341 CZ TYR A 551 -4.181 2.931 2.824 1.00 0.00 C ATOM 342 OH TYR A 551 -5.483 2.548 2.732 1.00 0.00 O ATOM 0 H TYR A 551 -1.397 3.852 5.441 1.00 0.00 H new ATOM 0 HA TYR A 551 1.469 4.187 4.691 1.00 0.00 H new ATOM 0 HB2 TYR A 551 0.089 5.047 2.521 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.571 3.370 2.679 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -2.252 5.408 4.088 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -1.077 1.938 1.914 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.675 4.688 3.914 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -3.502 1.229 1.747 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.617 2.039 1.905 1.00 0.00 H new ATOM 352 N ARG A 552 1.182 6.698 4.447 1.00 0.00 N ATOM 353 CA ARG A 552 1.124 8.131 4.681 1.00 0.00 C ATOM 354 C ARG A 552 1.847 8.881 3.560 1.00 0.00 C ATOM 355 O ARG A 552 2.525 8.269 2.736 1.00 0.00 O ATOM 356 CB ARG A 552 1.761 8.496 6.023 1.00 0.00 C ATOM 357 CG ARG A 552 3.198 8.984 5.834 1.00 0.00 C ATOM 358 CD ARG A 552 3.756 9.567 7.134 1.00 0.00 C ATOM 359 NE ARG A 552 5.182 9.201 7.282 1.00 0.00 N ATOM 360 CZ ARG A 552 6.113 9.997 7.851 1.00 0.00 C ATOM 361 NH1 ARG A 552 5.774 11.212 8.329 1.00 0.00 N ATOM 362 NH2 ARG A 552 7.358 9.568 7.931 1.00 0.00 N ATOM 0 H ARG A 552 2.012 6.381 3.947 1.00 0.00 H new ATOM 0 HA ARG A 552 0.074 8.422 4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 552 1.171 9.272 6.510 1.00 0.00 H new ATOM 0 HB3 ARG A 552 1.752 7.628 6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 552 3.826 8.157 5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 552 3.229 9.740 5.050 1.00 0.00 H new ATOM 0 HD2 ARG A 552 3.649 10.652 7.131 1.00 0.00 H new ATOM 0 HD3 ARG A 552 3.186 9.193 7.984 1.00 0.00 H new ATOM 0 HE ARG A 552 5.481 8.291 6.932 1.00 0.00 H new ATOM 0 HH11 ARG A 552 4.809 11.535 8.262 1.00 0.00 H new ATOM 0 HH12 ARG A 552 6.483 11.807 8.757 1.00 0.00 H new ATOM 0 HH21 ARG A 552 7.605 8.648 7.566 1.00 0.00 H new ATOM 0 HH22 ARG A 552 8.074 10.156 8.358 1.00 0.00 H new ATOM 375 N PRO A 553 1.674 10.230 3.567 1.00 0.00 N ATOM 376 CA PRO A 553 2.302 11.069 2.561 1.00 0.00 C ATOM 377 C PRO A 553 3.800 11.226 2.835 1.00 0.00 C ATOM 378 O PRO A 553 4.245 11.081 3.973 1.00 0.00 O ATOM 379 CB PRO A 553 1.547 12.387 2.621 1.00 0.00 C ATOM 380 CG PRO A 553 0.837 12.400 3.965 1.00 0.00 C ATOM 381 CD PRO A 553 0.878 10.988 4.527 1.00 0.00 C ATOM 0 HA PRO A 553 2.248 10.639 1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 553 2.229 13.232 2.532 1.00 0.00 H new ATOM 0 HB3 PRO A 553 0.833 12.466 1.801 1.00 0.00 H new ATOM 0 HG2 PRO A 553 1.324 13.097 4.647 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -0.194 12.735 3.849 1.00 0.00 H new ATOM 0 HD2 PRO A 553 1.330 10.969 5.519 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -0.125 10.572 4.626 1.00 0.00 H new ATOM 389 N ALA A 554 4.536 11.519 1.773 1.00 0.00 N ATOM 390 CA ALA A 554 5.973 11.697 1.885 1.00 0.00 C ATOM 391 C ALA A 554 6.312 12.209 3.286 1.00 0.00 C ATOM 392 O ALA A 554 6.606 11.422 4.185 1.00 0.00 O ATOM 393 CB ALA A 554 6.458 12.644 0.785 1.00 0.00 C ATOM 0 H ALA A 554 4.164 11.638 0.831 1.00 0.00 H new ATOM 0 HA ALA A 554 6.489 10.747 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 554 7.537 12.777 0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 554 6.220 12.221 -0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 554 5.963 13.609 0.892 1.00 0.00 H new ATOM 399 N GLY A 555 6.260 13.525 3.429 1.00 0.00 N ATOM 400 CA GLY A 555 6.558 14.152 4.706 1.00 0.00 C ATOM 401 C GLY A 555 5.395 15.031 5.170 1.00 0.00 C ATOM 402 O GLY A 555 5.304 16.197 4.789 1.00 0.00 O ATOM 0 H GLY A 555 6.016 14.175 2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 555 6.759 13.385 5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 555 7.461 14.755 4.617 1.00 0.00 H new ATOM 406 N GLY A 556 4.535 14.439 5.985 1.00 0.00 N ATOM 407 CA GLY A 556 3.381 15.154 6.505 1.00 0.00 C ATOM 408 C GLY A 556 2.926 14.563 7.841 1.00 0.00 C ATOM 409 O GLY A 556 3.341 15.026 8.902 1.00 0.00 O ATOM 0 H GLY A 556 4.614 13.472 6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 556 3.630 16.207 6.635 1.00 0.00 H new ATOM 0 HA3 GLY A 556 2.564 15.106 5.785 1.00 0.00 H new ATOM 413 N SER A 557 2.079 13.549 7.745 1.00 0.00 N ATOM 414 CA SER A 557 1.563 12.890 8.932 1.00 0.00 C ATOM 415 C SER A 557 1.258 11.422 8.626 1.00 0.00 C ATOM 416 O SER A 557 1.538 10.942 7.529 1.00 0.00 O ATOM 417 CB SER A 557 0.308 13.595 9.452 1.00 0.00 C ATOM 418 OG SER A 557 -0.371 12.820 10.436 1.00 0.00 O ATOM 0 H SER A 557 1.737 13.168 6.863 1.00 0.00 H new ATOM 0 HA SER A 557 2.325 12.942 9.710 1.00 0.00 H new ATOM 0 HB2 SER A 557 0.584 14.560 9.878 1.00 0.00 H new ATOM 0 HB3 SER A 557 -0.366 13.795 8.619 1.00 0.00 H new ATOM 0 HG SER A 557 0.140 12.833 11.272 1.00 0.00 H new ATOM 424 N TRP A 558 0.688 10.751 9.616 1.00 0.00 N ATOM 425 CA TRP A 558 0.342 9.347 9.466 1.00 0.00 C ATOM 426 C TRP A 558 -1.171 9.211 9.646 1.00 0.00 C ATOM 427 O TRP A 558 -1.760 9.872 10.500 1.00 0.00 O ATOM 428 CB TRP A 558 1.141 8.479 10.440 1.00 0.00 C ATOM 429 CG TRP A 558 2.556 8.148 9.962 1.00 0.00 C ATOM 430 CD1 TRP A 558 3.695 8.795 10.246 1.00 0.00 C ATOM 431 CD2 TRP A 558 2.940 7.057 9.099 1.00 0.00 C ATOM 432 NE1 TRP A 558 4.779 8.203 9.632 1.00 0.00 N ATOM 433 CE2 TRP A 558 4.306 7.112 8.913 1.00 0.00 C ATOM 434 CE3 TRP A 558 2.158 6.056 8.496 1.00 0.00 C ATOM 435 CZ2 TRP A 558 5.010 6.195 8.124 1.00 0.00 C ATOM 436 CZ3 TRP A 558 2.876 5.146 7.711 1.00 0.00 C ATOM 437 CH2 TRP A 558 4.251 5.189 7.513 1.00 0.00 C ATOM 0 H TRP A 558 0.457 11.153 10.525 1.00 0.00 H new ATOM 0 HA TRP A 558 0.607 8.988 8.472 1.00 0.00 H new ATOM 0 HB2 TRP A 558 1.203 8.991 11.400 1.00 0.00 H new ATOM 0 HB3 TRP A 558 0.599 7.549 10.610 1.00 0.00 H new ATOM 0 HD1 TRP A 558 3.756 9.670 10.876 1.00 0.00 H new ATOM 0 HE1 TRP A 558 5.750 8.510 9.694 1.00 0.00 H new ATOM 0 HE3 TRP A 558 1.088 5.994 8.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 6.080 6.260 7.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 2.323 4.356 7.225 1.00 0.00 H new ATOM 0 HH2 TRP A 558 4.732 4.449 6.890 1.00 0.00 H new ATOM 448 N THR A 559 -1.758 8.350 8.827 1.00 0.00 N ATOM 449 CA THR A 559 -3.191 8.119 8.886 1.00 0.00 C ATOM 450 C THR A 559 -3.570 7.449 10.208 1.00 0.00 C ATOM 451 O THR A 559 -2.697 7.054 10.980 1.00 0.00 O ATOM 452 CB THR A 559 -3.589 7.303 7.655 1.00 0.00 C ATOM 453 OG1 THR A 559 -2.935 7.963 6.574 1.00 0.00 O ATOM 454 CG2 THR A 559 -5.077 7.431 7.323 1.00 0.00 C ATOM 0 H THR A 559 -1.267 7.804 8.119 1.00 0.00 H new ATOM 0 HA THR A 559 -3.744 9.058 8.864 1.00 0.00 H new ATOM 0 HB THR A 559 -3.343 6.254 7.821 1.00 0.00 H new ATOM 0 HG1 THR A 559 -2.225 7.387 6.221 1.00 0.00 H new ATOM 0 HG21 THR A 559 -5.306 6.832 6.441 1.00 0.00 H new ATOM 0 HG22 THR A 559 -5.670 7.076 8.166 1.00 0.00 H new ATOM 0 HG23 THR A 559 -5.317 8.476 7.125 1.00 0.00 H new ATOM 462 N ALA A 560 -4.872 7.340 10.428 1.00 0.00 N ATOM 463 CA ALA A 560 -5.376 6.724 11.643 1.00 0.00 C ATOM 464 C ALA A 560 -5.115 5.217 11.592 1.00 0.00 C ATOM 465 O ALA A 560 -5.773 4.494 10.846 1.00 0.00 O ATOM 466 CB ALA A 560 -6.862 7.053 11.803 1.00 0.00 C ATOM 0 H ALA A 560 -5.593 7.668 9.785 1.00 0.00 H new ATOM 0 HA ALA A 560 -4.858 7.119 12.517 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -7.241 6.591 12.715 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -6.991 8.134 11.863 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -7.414 6.669 10.945 1.00 0.00 H new ATOM 472 N ALA A 561 -4.153 4.788 12.396 1.00 0.00 N ATOM 473 CA ALA A 561 -3.797 3.381 12.452 1.00 0.00 C ATOM 474 C ALA A 561 -4.905 2.607 13.169 1.00 0.00 C ATOM 475 O ALA A 561 -5.393 3.038 14.213 1.00 0.00 O ATOM 476 CB ALA A 561 -2.439 3.225 13.139 1.00 0.00 C ATOM 0 H ALA A 561 -3.609 5.390 13.014 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.704 2.969 11.447 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -2.172 2.169 13.181 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.681 3.769 12.575 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -2.495 3.626 14.151 1.00 0.00 H new ATOM 482 N PRO A 562 -5.280 1.448 12.564 1.00 0.00 N ATOM 483 CA PRO A 562 -4.651 1.010 11.330 1.00 0.00 C ATOM 484 C PRO A 562 -5.149 1.833 10.139 1.00 0.00 C ATOM 485 O PRO A 562 -6.295 2.281 10.126 1.00 0.00 O ATOM 486 CB PRO A 562 -4.993 -0.467 11.216 1.00 0.00 C ATOM 487 CG PRO A 562 -6.179 -0.692 12.139 1.00 0.00 C ATOM 488 CD PRO A 562 -6.309 0.526 13.038 1.00 0.00 C ATOM 0 HA PRO A 562 -3.571 1.155 11.334 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -5.242 -0.732 10.188 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -4.146 -1.088 11.509 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -7.091 -0.838 11.560 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -6.033 -1.593 12.735 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -7.302 0.969 12.964 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -6.154 0.264 14.085 1.00 0.00 H new ATOM 496 N GLY A 563 -4.264 2.006 9.169 1.00 0.00 N ATOM 497 CA GLY A 563 -4.599 2.766 7.977 1.00 0.00 C ATOM 498 C GLY A 563 -5.984 2.381 7.452 1.00 0.00 C ATOM 499 O GLY A 563 -7.000 2.785 8.016 1.00 0.00 O ATOM 0 H GLY A 563 -3.315 1.633 9.184 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -4.575 3.832 8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.851 2.587 7.205 1.00 0.00 H new ATOM 503 N VAL A 564 -5.980 1.604 6.379 1.00 0.00 N ATOM 504 CA VAL A 564 -7.223 1.160 5.772 1.00 0.00 C ATOM 505 C VAL A 564 -7.113 -0.326 5.423 1.00 0.00 C ATOM 506 O VAL A 564 -6.011 -0.853 5.280 1.00 0.00 O ATOM 507 CB VAL A 564 -7.557 2.035 4.562 1.00 0.00 C ATOM 508 CG1 VAL A 564 -9.070 2.141 4.363 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.923 3.421 4.697 1.00 0.00 C ATOM 0 H VAL A 564 -5.135 1.271 5.914 1.00 0.00 H new ATOM 0 HA VAL A 564 -8.050 1.269 6.473 1.00 0.00 H new ATOM 0 HB VAL A 564 -7.136 1.558 3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -9.280 2.768 3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -9.486 1.147 4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.523 2.584 5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -7.176 4.023 3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -7.301 3.908 5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.840 3.320 4.767 1.00 0.00 H new ATOM 519 N LYS A 565 -8.270 -0.958 5.295 1.00 0.00 N ATOM 520 CA LYS A 565 -8.317 -2.372 4.965 1.00 0.00 C ATOM 521 C LYS A 565 -8.237 -2.540 3.446 1.00 0.00 C ATOM 522 O LYS A 565 -9.112 -2.072 2.719 1.00 0.00 O ATOM 523 CB LYS A 565 -9.549 -3.028 5.592 1.00 0.00 C ATOM 524 CG LYS A 565 -9.818 -4.399 4.967 1.00 0.00 C ATOM 525 CD LYS A 565 -9.897 -5.485 6.042 1.00 0.00 C ATOM 526 CE LYS A 565 -11.166 -6.324 5.881 1.00 0.00 C ATOM 527 NZ LYS A 565 -10.951 -7.404 4.892 1.00 0.00 N ATOM 0 H LYS A 565 -9.182 -0.517 5.414 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.457 -2.891 5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -9.400 -3.137 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -10.418 -2.385 5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -10.752 -4.370 4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -9.027 -4.641 4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -9.020 -6.129 5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -9.884 -5.025 7.030 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -11.449 -6.754 6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -11.991 -5.688 5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -11.766 -7.453 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -10.089 -7.207 4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -10.846 -8.312 5.387 1.00 0.00 H new ATOM 540 N MET A 566 -7.179 -3.210 3.012 1.00 0.00 N ATOM 541 CA MET A 566 -6.973 -3.445 1.593 1.00 0.00 C ATOM 542 C MET A 566 -8.303 -3.698 0.880 1.00 0.00 C ATOM 543 O MET A 566 -9.150 -4.435 1.382 1.00 0.00 O ATOM 544 CB MET A 566 -6.055 -4.655 1.404 1.00 0.00 C ATOM 545 CG MET A 566 -4.617 -4.319 1.806 1.00 0.00 C ATOM 546 SD MET A 566 -3.470 -5.255 0.808 1.00 0.00 S ATOM 547 CE MET A 566 -2.707 -3.929 -0.111 1.00 0.00 C ATOM 0 H MET A 566 -6.456 -3.597 3.618 1.00 0.00 H new ATOM 0 HA MET A 566 -6.513 -2.557 1.160 1.00 0.00 H new ATOM 0 HB2 MET A 566 -6.419 -5.489 2.004 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.080 -4.976 0.363 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.435 -3.252 1.679 1.00 0.00 H new ATOM 0 HG3 MET A 566 -4.463 -4.546 2.861 1.00 0.00 H new ATOM 0 HE1 MET A 566 -2.992 -4.003 -1.160 1.00 0.00 H new ATOM 0 HE2 MET A 566 -3.039 -2.971 0.289 1.00 0.00 H new ATOM 0 HE3 MET A 566 -1.623 -4.002 -0.024 1.00 0.00 H new ATOM 557 N GLN A 567 -8.445 -3.071 -0.279 1.00 0.00 N ATOM 558 CA GLN A 567 -9.658 -3.219 -1.065 1.00 0.00 C ATOM 559 C GLN A 567 -9.434 -4.216 -2.204 1.00 0.00 C ATOM 560 O GLN A 567 -8.626 -3.971 -3.099 1.00 0.00 O ATOM 561 CB GLN A 567 -10.129 -1.867 -1.605 1.00 0.00 C ATOM 562 CG GLN A 567 -11.200 -1.258 -0.698 1.00 0.00 C ATOM 563 CD GLN A 567 -12.509 -1.045 -1.462 1.00 0.00 C ATOM 564 OE1 GLN A 567 -12.794 0.027 -1.969 1.00 0.00 O ATOM 565 NE2 GLN A 567 -13.286 -2.123 -1.516 1.00 0.00 N ATOM 0 H GLN A 567 -7.741 -2.460 -0.692 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.443 -3.608 -0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -9.281 -1.186 -1.681 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -10.528 -1.992 -2.612 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -11.375 -1.914 0.155 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -10.847 -0.306 -0.301 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -12.987 -2.990 -1.070 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -14.181 -2.083 -2.004 1.00 0.00 H new ATOM 574 N ASP A 568 -10.164 -5.319 -2.134 1.00 0.00 N ATOM 575 CA ASP A 568 -10.055 -6.354 -3.148 1.00 0.00 C ATOM 576 C ASP A 568 -10.081 -5.708 -4.535 1.00 0.00 C ATOM 577 O ASP A 568 -10.903 -4.833 -4.800 1.00 0.00 O ATOM 578 CB ASP A 568 -11.226 -7.335 -3.062 1.00 0.00 C ATOM 579 CG ASP A 568 -12.106 -7.184 -1.819 1.00 0.00 C ATOM 580 OD1 ASP A 568 -12.932 -6.264 -1.729 1.00 0.00 O ATOM 581 OD2 ASP A 568 -11.915 -8.074 -0.904 1.00 0.00 O ATOM 0 H ASP A 568 -10.833 -5.519 -1.391 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.121 -6.891 -2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -11.850 -7.212 -3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -10.832 -8.351 -3.089 1.00 0.00 H new ATOM 587 N ALA A 569 -9.171 -6.165 -5.382 1.00 0.00 N ATOM 588 CA ALA A 569 -9.079 -5.643 -6.735 1.00 0.00 C ATOM 589 C ALA A 569 -10.291 -6.114 -7.542 1.00 0.00 C ATOM 590 O ALA A 569 -11.397 -6.206 -7.012 1.00 0.00 O ATOM 591 CB ALA A 569 -7.754 -6.081 -7.363 1.00 0.00 C ATOM 0 H ALA A 569 -8.491 -6.891 -5.158 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.091 -4.553 -6.727 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -7.685 -5.689 -8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -6.925 -5.697 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -7.707 -7.170 -7.390 1.00 0.00 H new ATOM 597 N GLU A 570 -10.041 -6.399 -8.812 1.00 0.00 N ATOM 598 CA GLU A 570 -11.098 -6.858 -9.698 1.00 0.00 C ATOM 599 C GLU A 570 -10.697 -8.176 -10.363 1.00 0.00 C ATOM 600 O GLU A 570 -11.400 -8.669 -11.244 1.00 0.00 O ATOM 601 CB GLU A 570 -11.436 -5.795 -10.745 1.00 0.00 C ATOM 602 CG GLU A 570 -10.269 -5.589 -11.713 1.00 0.00 C ATOM 603 CD GLU A 570 -10.775 -5.281 -13.124 1.00 0.00 C ATOM 604 OE1 GLU A 570 -11.877 -5.712 -13.495 1.00 0.00 O ATOM 605 OE2 GLU A 570 -9.979 -4.566 -13.845 1.00 0.00 O ATOM 0 H GLU A 570 -9.122 -6.321 -9.248 1.00 0.00 H new ATOM 0 HA GLU A 570 -11.995 -7.032 -9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.325 -6.095 -11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -11.673 -4.853 -10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -9.640 -4.771 -11.362 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -9.646 -6.483 -11.733 1.00 0.00 H new ATOM 613 N ILE A 571 -9.569 -8.708 -9.917 1.00 0.00 N ATOM 614 CA ILE A 571 -9.067 -9.960 -10.458 1.00 0.00 C ATOM 615 C ILE A 571 -9.801 -11.128 -9.797 1.00 0.00 C ATOM 616 O ILE A 571 -10.713 -11.706 -10.387 1.00 0.00 O ATOM 617 CB ILE A 571 -7.545 -10.032 -10.318 1.00 0.00 C ATOM 618 CG1 ILE A 571 -6.859 -9.050 -11.271 1.00 0.00 C ATOM 619 CG2 ILE A 571 -7.044 -11.464 -10.512 1.00 0.00 C ATOM 620 CD1 ILE A 571 -5.360 -8.960 -10.980 1.00 0.00 C ATOM 0 H ILE A 571 -8.988 -8.295 -9.187 1.00 0.00 H new ATOM 0 HA ILE A 571 -9.269 -10.021 -11.527 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.281 -9.733 -9.304 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -7.014 -9.369 -12.302 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -7.312 -8.064 -11.171 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -5.959 -11.487 -10.407 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -7.495 -12.112 -9.761 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -7.320 -11.815 -11.506 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -4.897 -8.256 -11.671 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -5.208 -8.617 -9.957 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -4.905 -9.943 -11.105 1.00 0.00 H new ATOM 632 N SER A 572 -9.376 -11.441 -8.582 1.00 0.00 N ATOM 633 CA SER A 572 -9.982 -12.530 -7.835 1.00 0.00 C ATOM 634 C SER A 572 -9.030 -13.003 -6.734 1.00 0.00 C ATOM 635 O SER A 572 -8.173 -13.853 -6.973 1.00 0.00 O ATOM 636 CB SER A 572 -10.347 -13.695 -8.757 1.00 0.00 C ATOM 637 OG SER A 572 -11.745 -13.744 -9.027 1.00 0.00 O ATOM 0 H SER A 572 -8.619 -10.960 -8.096 1.00 0.00 H new ATOM 0 HA SER A 572 -10.901 -12.161 -7.379 1.00 0.00 H new ATOM 0 HB2 SER A 572 -9.800 -13.600 -9.695 1.00 0.00 H new ATOM 0 HB3 SER A 572 -10.033 -14.633 -8.298 1.00 0.00 H new ATOM 0 HG SER A 572 -11.982 -13.029 -9.654 1.00 0.00 H new ATOM 643 N GLY A 573 -9.211 -12.431 -5.553 1.00 0.00 N ATOM 644 CA GLY A 573 -8.379 -12.783 -4.415 1.00 0.00 C ATOM 645 C GLY A 573 -7.215 -11.802 -4.263 1.00 0.00 C ATOM 646 O GLY A 573 -6.311 -12.026 -3.459 1.00 0.00 O ATOM 0 H GLY A 573 -9.922 -11.726 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -8.981 -12.783 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -7.993 -13.794 -4.541 1.00 0.00 H new ATOM 650 N TYR A 574 -7.275 -10.736 -5.047 1.00 0.00 N ATOM 651 CA TYR A 574 -6.237 -9.720 -5.009 1.00 0.00 C ATOM 652 C TYR A 574 -6.713 -8.478 -4.253 1.00 0.00 C ATOM 653 O TYR A 574 -7.915 -8.265 -4.095 1.00 0.00 O ATOM 654 CB TYR A 574 -5.964 -9.341 -6.466 1.00 0.00 C ATOM 655 CG TYR A 574 -4.860 -10.169 -7.127 1.00 0.00 C ATOM 656 CD1 TYR A 574 -5.169 -11.365 -7.742 1.00 0.00 C ATOM 657 CD2 TYR A 574 -3.556 -9.719 -7.109 1.00 0.00 C ATOM 658 CE1 TYR A 574 -4.130 -12.144 -8.365 1.00 0.00 C ATOM 659 CE2 TYR A 574 -2.517 -10.498 -7.731 1.00 0.00 C ATOM 660 CZ TYR A 574 -2.855 -11.672 -8.328 1.00 0.00 C ATOM 661 OH TYR A 574 -1.874 -12.408 -8.916 1.00 0.00 O ATOM 0 H TYR A 574 -8.026 -10.554 -5.712 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.349 -10.098 -4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -6.884 -9.457 -7.039 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -5.690 -8.287 -6.512 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -6.190 -11.717 -7.756 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -3.314 -8.782 -6.628 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -4.358 -13.081 -8.850 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -1.492 -10.157 -7.724 1.00 0.00 H new ATOM 0 HH TYR A 574 -1.014 -11.949 -8.813 1.00 0.00 H new ATOM 671 N ALA A 575 -5.747 -7.690 -3.805 1.00 0.00 N ATOM 672 CA ALA A 575 -6.052 -6.475 -3.069 1.00 0.00 C ATOM 673 C ALA A 575 -5.542 -5.266 -3.855 1.00 0.00 C ATOM 674 O ALA A 575 -4.561 -5.368 -4.590 1.00 0.00 O ATOM 675 CB ALA A 575 -5.442 -6.559 -1.668 1.00 0.00 C ATOM 0 H ALA A 575 -4.752 -7.869 -3.938 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.129 -6.360 -2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -5.671 -5.647 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -5.859 -7.417 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -4.361 -6.673 -1.748 1.00 0.00 H new ATOM 681 N LYS A 576 -6.230 -4.148 -3.674 1.00 0.00 N ATOM 682 CA LYS A 576 -5.859 -2.921 -4.357 1.00 0.00 C ATOM 683 C LYS A 576 -6.283 -1.721 -3.508 1.00 0.00 C ATOM 684 O LYS A 576 -7.433 -1.632 -3.082 1.00 0.00 O ATOM 685 CB LYS A 576 -6.433 -2.903 -5.776 1.00 0.00 C ATOM 686 CG LYS A 576 -7.830 -2.279 -5.795 1.00 0.00 C ATOM 687 CD LYS A 576 -8.343 -2.127 -7.228 1.00 0.00 C ATOM 688 CE LYS A 576 -8.277 -0.667 -7.681 1.00 0.00 C ATOM 689 NZ LYS A 576 -9.508 -0.296 -8.414 1.00 0.00 N ATOM 0 H LYS A 576 -7.043 -4.067 -3.063 1.00 0.00 H new ATOM 0 HA LYS A 576 -4.777 -2.863 -4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -5.770 -2.340 -6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.480 -3.920 -6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.518 -2.901 -5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -7.803 -1.304 -5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -7.748 -2.747 -7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.371 -2.485 -7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -8.152 -0.017 -6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -7.407 -0.517 -8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -9.447 0.698 -8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -9.611 -0.905 -9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -10.333 -0.420 -7.793 1.00 0.00 H new ATOM 702 N ILE A 577 -5.329 -0.828 -3.286 1.00 0.00 N ATOM 703 CA ILE A 577 -5.589 0.363 -2.495 1.00 0.00 C ATOM 704 C ILE A 577 -5.067 1.591 -3.243 1.00 0.00 C ATOM 705 O ILE A 577 -4.127 1.490 -4.029 1.00 0.00 O ATOM 706 CB ILE A 577 -5.009 0.208 -1.087 1.00 0.00 C ATOM 707 CG1 ILE A 577 -3.629 0.861 -0.988 1.00 0.00 C ATOM 708 CG2 ILE A 577 -4.979 -1.262 -0.666 1.00 0.00 C ATOM 709 CD1 ILE A 577 -3.744 2.387 -0.982 1.00 0.00 C ATOM 0 H ILE A 577 -4.376 -0.905 -3.640 1.00 0.00 H new ATOM 0 HA ILE A 577 -6.661 0.504 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 577 -5.663 0.730 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -3.129 0.527 -0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.011 0.543 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -4.563 -1.345 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -5.992 -1.663 -0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -4.360 -1.828 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -2.749 2.827 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -4.223 2.719 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -4.342 2.703 -0.128 1.00 0.00 H new ATOM 721 N THR A 578 -5.701 2.723 -2.973 1.00 0.00 N ATOM 722 CA THR A 578 -5.313 3.969 -3.610 1.00 0.00 C ATOM 723 C THR A 578 -5.067 5.053 -2.559 1.00 0.00 C ATOM 724 O THR A 578 -5.801 5.147 -1.576 1.00 0.00 O ATOM 725 CB THR A 578 -6.398 4.340 -4.623 1.00 0.00 C ATOM 726 OG1 THR A 578 -6.521 3.180 -5.441 1.00 0.00 O ATOM 727 CG2 THR A 578 -5.945 5.433 -5.593 1.00 0.00 C ATOM 0 H THR A 578 -6.481 2.803 -2.321 1.00 0.00 H new ATOM 0 HA THR A 578 -4.370 3.861 -4.146 1.00 0.00 H new ATOM 0 HB THR A 578 -7.290 4.672 -4.093 1.00 0.00 H new ATOM 0 HG1 THR A 578 -7.206 3.333 -6.125 1.00 0.00 H new ATOM 0 HG21 THR A 578 -6.752 5.658 -6.290 1.00 0.00 H new ATOM 0 HG22 THR A 578 -5.687 6.332 -5.033 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.072 5.088 -6.148 1.00 0.00 H new ATOM 735 N VAL A 579 -4.032 5.843 -2.801 1.00 0.00 N ATOM 736 CA VAL A 579 -3.680 6.917 -1.887 1.00 0.00 C ATOM 737 C VAL A 579 -3.456 8.205 -2.681 1.00 0.00 C ATOM 738 O VAL A 579 -2.661 8.230 -3.619 1.00 0.00 O ATOM 739 CB VAL A 579 -2.465 6.513 -1.048 1.00 0.00 C ATOM 740 CG1 VAL A 579 -2.349 7.384 0.204 1.00 0.00 C ATOM 741 CG2 VAL A 579 -2.521 5.029 -0.681 1.00 0.00 C ATOM 0 H VAL A 579 -3.425 5.761 -3.617 1.00 0.00 H new ATOM 0 HA VAL A 579 -4.494 7.105 -1.187 1.00 0.00 H new ATOM 0 HB VAL A 579 -1.572 6.675 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -1.478 7.076 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -2.240 8.428 -0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -3.247 7.269 0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -1.646 4.768 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -3.425 4.831 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -2.532 4.429 -1.591 1.00 0.00 H new ATOM 751 N ASP A 580 -4.173 9.243 -2.277 1.00 0.00 N ATOM 752 CA ASP A 580 -4.063 10.532 -2.940 1.00 0.00 C ATOM 753 C ASP A 580 -2.827 11.267 -2.415 1.00 0.00 C ATOM 754 O ASP A 580 -2.444 11.096 -1.259 1.00 0.00 O ATOM 755 CB ASP A 580 -5.287 11.404 -2.656 1.00 0.00 C ATOM 756 CG ASP A 580 -5.178 12.850 -3.142 1.00 0.00 C ATOM 757 OD1 ASP A 580 -4.717 13.114 -4.262 1.00 0.00 O ATOM 758 OD2 ASP A 580 -5.596 13.739 -2.306 1.00 0.00 O ATOM 0 H ASP A 580 -4.832 9.218 -1.499 1.00 0.00 H new ATOM 0 HA ASP A 580 -3.988 10.354 -4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -6.158 10.944 -3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -5.468 11.411 -1.581 1.00 0.00 H new ATOM 764 N ILE A 581 -2.239 12.068 -3.290 1.00 0.00 N ATOM 765 CA ILE A 581 -1.055 12.830 -2.930 1.00 0.00 C ATOM 766 C ILE A 581 -0.934 14.044 -3.852 1.00 0.00 C ATOM 767 O ILE A 581 0.122 14.280 -4.438 1.00 0.00 O ATOM 768 CB ILE A 581 0.182 11.929 -2.932 1.00 0.00 C ATOM 769 CG1 ILE A 581 0.466 11.392 -4.336 1.00 0.00 C ATOM 770 CG2 ILE A 581 0.044 10.804 -1.905 1.00 0.00 C ATOM 771 CD1 ILE A 581 1.815 10.672 -4.385 1.00 0.00 C ATOM 0 H ILE A 581 -2.560 12.206 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 581 -1.142 13.211 -1.913 1.00 0.00 H new ATOM 0 HB ILE A 581 1.042 12.530 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -0.327 10.706 -4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 581 0.462 12.214 -5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 581 0.937 10.179 -1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 581 -0.074 11.232 -0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -0.829 10.198 -2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.992 10.300 -5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 581 2.608 11.367 -4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 581 1.807 9.836 -3.686 1.00 0.00 H new ATOM 783 N GLY A 582 -2.030 14.782 -3.953 1.00 0.00 N ATOM 784 CA GLY A 582 -2.060 15.966 -4.795 1.00 0.00 C ATOM 785 C GLY A 582 -0.901 16.907 -4.459 1.00 0.00 C ATOM 786 O GLY A 582 -0.542 17.767 -5.262 1.00 0.00 O ATOM 0 H GLY A 582 -2.904 14.583 -3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -2.003 15.673 -5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -3.008 16.488 -4.661 1.00 0.00 H new ATOM 790 N SER A 583 -0.348 16.712 -3.271 1.00 0.00 N ATOM 791 CA SER A 583 0.763 17.533 -2.819 1.00 0.00 C ATOM 792 C SER A 583 1.884 16.643 -2.277 1.00 0.00 C ATOM 793 O SER A 583 2.437 16.916 -1.213 1.00 0.00 O ATOM 794 CB SER A 583 0.312 18.529 -1.749 1.00 0.00 C ATOM 795 OG SER A 583 -0.057 19.785 -2.311 1.00 0.00 O ATOM 0 H SER A 583 -0.648 15.998 -2.608 1.00 0.00 H new ATOM 0 HA SER A 583 1.138 18.101 -3.671 1.00 0.00 H new ATOM 0 HB2 SER A 583 -0.534 18.114 -1.201 1.00 0.00 H new ATOM 0 HB3 SER A 583 1.117 18.676 -1.029 1.00 0.00 H new ATOM 0 HG SER A 583 -0.340 20.393 -1.596 1.00 0.00 H new ATOM 801 N ALA A 584 2.185 15.598 -3.034 1.00 0.00 N ATOM 802 CA ALA A 584 3.230 14.668 -2.643 1.00 0.00 C ATOM 803 C ALA A 584 3.664 13.853 -3.863 1.00 0.00 C ATOM 804 O ALA A 584 2.841 13.508 -4.708 1.00 0.00 O ATOM 805 CB ALA A 584 2.725 13.783 -1.501 1.00 0.00 C ATOM 0 H ALA A 584 1.723 15.375 -3.916 1.00 0.00 H new ATOM 0 HA ALA A 584 4.105 15.206 -2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 584 3.509 13.085 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.457 14.407 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 584 1.849 13.226 -1.833 1.00 0.00 H new ATOM 811 N SER A 585 4.958 13.570 -3.916 1.00 0.00 N ATOM 812 CA SER A 585 5.511 12.803 -5.019 1.00 0.00 C ATOM 813 C SER A 585 5.954 11.424 -4.526 1.00 0.00 C ATOM 814 O SER A 585 6.417 10.599 -5.313 1.00 0.00 O ATOM 815 CB SER A 585 6.687 13.538 -5.665 1.00 0.00 C ATOM 816 OG SER A 585 6.287 14.275 -6.818 1.00 0.00 O ATOM 0 H SER A 585 5.639 13.858 -3.213 1.00 0.00 H new ATOM 0 HA SER A 585 4.735 12.680 -5.774 1.00 0.00 H new ATOM 0 HB2 SER A 585 7.134 14.216 -4.938 1.00 0.00 H new ATOM 0 HB3 SER A 585 7.456 12.818 -5.944 1.00 0.00 H new ATOM 0 HG SER A 585 7.065 14.731 -7.201 1.00 0.00 H new ATOM 822 N GLN A 586 5.797 11.216 -3.227 1.00 0.00 N ATOM 823 CA GLN A 586 6.174 9.951 -2.621 1.00 0.00 C ATOM 824 C GLN A 586 5.270 9.645 -1.425 1.00 0.00 C ATOM 825 O GLN A 586 4.955 10.535 -0.637 1.00 0.00 O ATOM 826 CB GLN A 586 7.647 9.959 -2.207 1.00 0.00 C ATOM 827 CG GLN A 586 8.537 9.431 -3.334 1.00 0.00 C ATOM 828 CD GLN A 586 9.997 9.829 -3.112 1.00 0.00 C ATOM 829 OE1 GLN A 586 10.339 10.994 -2.992 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.837 8.799 -3.065 1.00 0.00 N ATOM 0 H GLN A 586 5.414 11.903 -2.577 1.00 0.00 H new ATOM 0 HA GLN A 586 6.043 9.162 -3.362 1.00 0.00 H new ATOM 0 HB2 GLN A 586 7.949 10.973 -1.945 1.00 0.00 H new ATOM 0 HB3 GLN A 586 7.781 9.346 -1.316 1.00 0.00 H new ATOM 0 HG2 GLN A 586 8.456 8.345 -3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 586 8.191 9.824 -4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 586 10.484 7.848 -3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.834 8.960 -2.921 1.00 0.00 H new ATOM 839 N LEU A 587 4.879 8.382 -1.327 1.00 0.00 N ATOM 840 CA LEU A 587 4.018 7.948 -0.241 1.00 0.00 C ATOM 841 C LEU A 587 4.508 6.596 0.283 1.00 0.00 C ATOM 842 O LEU A 587 4.869 5.718 -0.498 1.00 0.00 O ATOM 843 CB LEU A 587 2.555 7.941 -0.687 1.00 0.00 C ATOM 844 CG LEU A 587 1.580 7.189 0.221 1.00 0.00 C ATOM 845 CD1 LEU A 587 0.603 8.154 0.896 1.00 0.00 C ATOM 846 CD2 LEU A 587 0.854 6.084 -0.549 1.00 0.00 C ATOM 0 H LEU A 587 5.143 7.646 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 587 4.070 8.651 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 587 2.217 8.974 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.502 7.504 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 587 2.154 6.706 1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -0.079 7.593 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 587 1.159 8.872 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 587 0.032 8.685 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 587 0.167 5.565 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 587 0.294 6.523 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 587 1.583 5.375 -0.942 1.00 0.00 H new ATOM 858 N GLU A 588 4.504 6.472 1.602 1.00 0.00 N ATOM 859 CA GLU A 588 4.944 5.243 2.240 1.00 0.00 C ATOM 860 C GLU A 588 3.736 4.405 2.666 1.00 0.00 C ATOM 861 O GLU A 588 2.724 4.948 3.106 1.00 0.00 O ATOM 862 CB GLU A 588 5.855 5.539 3.433 1.00 0.00 C ATOM 863 CG GLU A 588 5.209 6.556 4.376 1.00 0.00 C ATOM 864 CD GLU A 588 5.815 7.947 4.179 1.00 0.00 C ATOM 865 OE1 GLU A 588 6.960 8.189 4.590 1.00 0.00 O ATOM 866 OE2 GLU A 588 5.052 8.794 3.574 1.00 0.00 O ATOM 0 H GLU A 588 4.203 7.203 2.247 1.00 0.00 H new ATOM 0 HA GLU A 588 5.524 4.669 1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 588 6.063 4.616 3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 588 6.812 5.923 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 588 4.135 6.594 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 588 5.347 6.238 5.409 1.00 0.00 H new ATOM 874 N ALA A 589 3.883 3.096 2.520 1.00 0.00 N ATOM 875 CA ALA A 589 2.817 2.179 2.884 1.00 0.00 C ATOM 876 C ALA A 589 3.422 0.940 3.549 1.00 0.00 C ATOM 877 O ALA A 589 4.419 0.400 3.073 1.00 0.00 O ATOM 878 CB ALA A 589 1.996 1.830 1.641 1.00 0.00 C ATOM 0 H ALA A 589 4.724 2.649 2.155 1.00 0.00 H new ATOM 0 HA ALA A 589 2.140 2.643 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.196 1.142 1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 589 1.565 2.739 1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 589 2.641 1.360 0.899 1.00 0.00 H new ATOM 884 N ALA A 590 2.793 0.527 4.640 1.00 0.00 N ATOM 885 CA ALA A 590 3.256 -0.637 5.375 1.00 0.00 C ATOM 886 C ALA A 590 2.142 -1.684 5.419 1.00 0.00 C ATOM 887 O ALA A 590 0.967 -1.351 5.273 1.00 0.00 O ATOM 888 CB ALA A 590 3.711 -0.211 6.773 1.00 0.00 C ATOM 0 H ALA A 590 1.967 0.978 5.032 1.00 0.00 H new ATOM 0 HA ALA A 590 4.113 -1.089 4.876 1.00 0.00 H new ATOM 0 HB1 ALA A 590 4.058 -1.085 7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.523 0.511 6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 590 2.876 0.245 7.304 1.00 0.00 H new ATOM 894 N PHE A 591 2.550 -2.928 5.621 1.00 0.00 N ATOM 895 CA PHE A 591 1.600 -4.026 5.685 1.00 0.00 C ATOM 896 C PHE A 591 1.658 -4.722 7.047 1.00 0.00 C ATOM 897 O PHE A 591 2.729 -5.128 7.495 1.00 0.00 O ATOM 898 CB PHE A 591 1.998 -5.026 4.598 1.00 0.00 C ATOM 899 CG PHE A 591 2.052 -4.427 3.191 1.00 0.00 C ATOM 900 CD1 PHE A 591 3.058 -3.576 2.853 1.00 0.00 C ATOM 901 CD2 PHE A 591 1.095 -4.745 2.279 1.00 0.00 C ATOM 902 CE1 PHE A 591 3.108 -3.020 1.547 1.00 0.00 C ATOM 903 CE2 PHE A 591 1.145 -4.189 0.973 1.00 0.00 C ATOM 904 CZ PHE A 591 2.151 -3.338 0.635 1.00 0.00 C ATOM 0 H PHE A 591 3.525 -3.200 5.743 1.00 0.00 H new ATOM 0 HA PHE A 591 0.587 -3.650 5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 591 2.975 -5.443 4.842 1.00 0.00 H new ATOM 0 HB3 PHE A 591 1.289 -5.853 4.603 1.00 0.00 H new ATOM 0 HD1 PHE A 591 3.818 -3.323 3.577 1.00 0.00 H new ATOM 0 HD2 PHE A 591 0.296 -5.421 2.548 1.00 0.00 H new ATOM 0 HE1 PHE A 591 3.907 -2.344 1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 591 0.385 -4.442 0.249 1.00 0.00 H new ATOM 0 HZ PHE A 591 2.190 -2.915 -0.358 1.00 0.00 H new ATOM 914 N ASN A 592 0.493 -4.838 7.666 1.00 0.00 N ATOM 915 CA ASN A 592 0.397 -5.477 8.967 1.00 0.00 C ATOM 916 C ASN A 592 -0.890 -6.302 9.033 1.00 0.00 C ATOM 917 O ASN A 592 -1.809 -6.089 8.243 1.00 0.00 O ATOM 918 CB ASN A 592 0.351 -4.439 10.090 1.00 0.00 C ATOM 919 CG ASN A 592 -0.630 -3.313 9.754 1.00 0.00 C ATOM 920 OD1 ASN A 592 -0.318 -2.376 9.038 1.00 0.00 O ATOM 921 ND2 ASN A 592 -1.829 -3.456 10.311 1.00 0.00 N ATOM 0 H ASN A 592 -0.393 -4.500 7.291 1.00 0.00 H new ATOM 0 HA ASN A 592 1.276 -6.109 9.096 1.00 0.00 H new ATOM 0 HB2 ASN A 592 0.054 -4.919 11.022 1.00 0.00 H new ATOM 0 HB3 ASN A 592 1.347 -4.024 10.248 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -2.553 -2.757 10.149 1.00 0.00 H new ATOM 0 HD22 ASN A 592 -2.024 -4.265 10.900 1.00 0.00 H new ATOM 928 N ASP A 593 -0.916 -7.226 9.982 1.00 0.00 N ATOM 929 CA ASP A 593 -2.075 -8.083 10.160 1.00 0.00 C ATOM 930 C ASP A 593 -3.104 -7.367 11.037 1.00 0.00 C ATOM 931 O ASP A 593 -4.307 -7.572 10.883 1.00 0.00 O ATOM 932 CB ASP A 593 -1.691 -9.391 10.855 1.00 0.00 C ATOM 933 CG ASP A 593 -1.021 -9.226 12.220 1.00 0.00 C ATOM 934 OD1 ASP A 593 -0.278 -8.261 12.454 1.00 0.00 O ATOM 935 OD2 ASP A 593 -1.291 -10.153 13.076 1.00 0.00 O ATOM 0 H ASP A 593 -0.153 -7.400 10.636 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.485 -8.304 9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -2.589 -9.996 10.979 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -1.019 -9.948 10.202 1.00 0.00 H new ATOM 941 N GLY A 594 -2.593 -6.539 11.937 1.00 0.00 N ATOM 942 CA GLY A 594 -3.452 -5.791 12.838 1.00 0.00 C ATOM 943 C GLY A 594 -2.631 -4.855 13.727 1.00 0.00 C ATOM 944 O GLY A 594 -2.937 -3.668 13.834 1.00 0.00 O ATOM 0 H GLY A 594 -1.595 -6.370 12.061 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -4.173 -5.211 12.261 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -4.022 -6.481 13.460 1.00 0.00 H new ATOM 948 N ASN A 595 -1.605 -5.423 14.343 1.00 0.00 N ATOM 949 CA ASN A 595 -0.738 -4.654 15.219 1.00 0.00 C ATOM 950 C ASN A 595 0.176 -5.609 15.990 1.00 0.00 C ATOM 951 O ASN A 595 -0.003 -5.810 17.191 1.00 0.00 O ATOM 952 CB ASN A 595 -1.553 -3.854 16.237 1.00 0.00 C ATOM 953 CG ASN A 595 -0.655 -3.300 17.345 1.00 0.00 C ATOM 954 OD1 ASN A 595 -0.638 -3.783 18.465 1.00 0.00 O ATOM 955 ND2 ASN A 595 0.087 -2.262 16.970 1.00 0.00 N ATOM 0 H ASN A 595 -1.354 -6.408 14.253 1.00 0.00 H new ATOM 0 HA ASN A 595 -0.158 -3.967 14.602 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -2.065 -3.033 15.734 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -2.323 -4.491 16.672 1.00 0.00 H new ATOM 0 HD21 ASN A 595 0.720 -1.820 17.637 1.00 0.00 H new ATOM 0 HD22 ASN A 595 0.023 -1.908 16.016 1.00 0.00 H new ATOM 962 N ASN A 596 1.135 -6.170 15.270 1.00 0.00 N ATOM 963 CA ASN A 596 2.078 -7.098 15.871 1.00 0.00 C ATOM 964 C ASN A 596 2.982 -7.678 14.782 1.00 0.00 C ATOM 965 O ASN A 596 4.166 -7.916 15.015 1.00 0.00 O ATOM 966 CB ASN A 596 1.349 -8.260 16.550 1.00 0.00 C ATOM 967 CG ASN A 596 2.141 -8.776 17.753 1.00 0.00 C ATOM 968 OD1 ASN A 596 3.249 -9.273 17.633 1.00 0.00 O ATOM 969 ND2 ASN A 596 1.513 -8.631 18.916 1.00 0.00 N ATOM 0 H ASN A 596 1.280 -6.000 14.275 1.00 0.00 H new ATOM 0 HA ASN A 596 2.660 -6.553 16.614 1.00 0.00 H new ATOM 0 HB2 ASN A 596 0.360 -7.934 16.874 1.00 0.00 H new ATOM 0 HB3 ASN A 596 1.200 -9.068 15.834 1.00 0.00 H new ATOM 0 HD21 ASN A 596 1.958 -8.944 19.779 1.00 0.00 H new ATOM 0 HD22 ASN A 596 0.586 -8.206 18.946 1.00 0.00 H new ATOM 976 N ASN A 597 2.389 -7.890 13.616 1.00 0.00 N ATOM 977 CA ASN A 597 3.126 -8.437 12.490 1.00 0.00 C ATOM 978 C ASN A 597 3.230 -7.378 11.390 1.00 0.00 C ATOM 979 O ASN A 597 2.394 -7.330 10.490 1.00 0.00 O ATOM 980 CB ASN A 597 2.412 -9.658 11.905 1.00 0.00 C ATOM 981 CG ASN A 597 2.195 -10.730 12.974 1.00 0.00 C ATOM 982 OD1 ASN A 597 3.030 -10.966 13.832 1.00 0.00 O ATOM 983 ND2 ASN A 597 1.030 -11.364 12.875 1.00 0.00 N ATOM 0 H ASN A 597 1.406 -7.693 13.427 1.00 0.00 H new ATOM 0 HA ASN A 597 4.113 -8.732 12.845 1.00 0.00 H new ATOM 0 HB2 ASN A 597 1.452 -9.356 11.487 1.00 0.00 H new ATOM 0 HB3 ASN A 597 3.001 -10.070 11.086 1.00 0.00 H new ATOM 0 HD21 ASN A 597 0.790 -12.097 13.542 1.00 0.00 H new ATOM 0 HD22 ASN A 597 0.376 -11.117 12.132 1.00 0.00 H new ATOM 990 N TRP A 598 4.264 -6.557 11.500 1.00 0.00 N ATOM 991 CA TRP A 598 4.488 -5.502 10.527 1.00 0.00 C ATOM 992 C TRP A 598 5.571 -5.977 9.556 1.00 0.00 C ATOM 993 O TRP A 598 6.617 -6.467 9.979 1.00 0.00 O ATOM 994 CB TRP A 598 4.841 -4.183 11.218 1.00 0.00 C ATOM 995 CG TRP A 598 3.695 -3.582 12.034 1.00 0.00 C ATOM 996 CD1 TRP A 598 3.269 -3.946 13.251 1.00 0.00 C ATOM 997 CD2 TRP A 598 2.839 -2.489 11.639 1.00 0.00 C ATOM 998 NE1 TRP A 598 2.206 -3.171 13.668 1.00 0.00 N ATOM 999 CE2 TRP A 598 1.937 -2.257 12.657 1.00 0.00 C ATOM 1000 CE3 TRP A 598 2.828 -1.722 10.460 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 0.957 -1.258 12.599 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 1.843 -0.729 10.418 1.00 0.00 C ATOM 1003 CH2 TRP A 598 0.927 -0.482 11.434 1.00 0.00 C ATOM 0 H TRP A 598 4.956 -6.601 12.248 1.00 0.00 H new ATOM 0 HA TRP A 598 3.578 -5.299 9.962 1.00 0.00 H new ATOM 0 HB2 TRP A 598 5.695 -4.346 11.875 1.00 0.00 H new ATOM 0 HB3 TRP A 598 5.153 -3.461 10.463 1.00 0.00 H new ATOM 0 HD1 TRP A 598 3.703 -4.746 13.833 1.00 0.00 H new ATOM 0 HE1 TRP A 598 1.709 -3.254 14.555 1.00 0.00 H new ATOM 0 HE3 TRP A 598 3.525 -1.886 9.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 0.262 -1.095 13.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 1.791 -0.111 9.534 1.00 0.00 H new ATOM 0 HH2 TRP A 598 0.195 0.305 11.325 1.00 0.00 H new ATOM 1014 N ASP A 599 5.284 -5.814 8.273 1.00 0.00 N ATOM 1015 CA ASP A 599 6.221 -6.220 7.239 1.00 0.00 C ATOM 1016 C ASP A 599 6.665 -4.988 6.447 1.00 0.00 C ATOM 1017 O ASP A 599 6.381 -4.876 5.256 1.00 0.00 O ATOM 1018 CB ASP A 599 5.571 -7.201 6.261 1.00 0.00 C ATOM 1019 CG ASP A 599 5.747 -8.679 6.616 1.00 0.00 C ATOM 1020 OD1 ASP A 599 4.855 -9.304 7.210 1.00 0.00 O ATOM 1021 OD2 ASP A 599 6.871 -9.197 6.252 1.00 0.00 O ATOM 0 H ASP A 599 4.416 -5.406 7.926 1.00 0.00 H new ATOM 0 HA ASP A 599 7.070 -6.703 7.724 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.505 -6.981 6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 599 5.986 -7.029 5.268 1.00 0.00 H new ATOM 1101 N ASN A 605 10.414 2.109 6.116 1.00 0.00 N ATOM 1102 CA ASN A 605 9.275 1.726 5.300 1.00 0.00 C ATOM 1103 C ASN A 605 9.669 1.783 3.823 1.00 0.00 C ATOM 1104 O ASN A 605 10.842 1.637 3.483 1.00 0.00 O ATOM 1105 CB ASN A 605 8.098 2.680 5.513 1.00 0.00 C ATOM 1106 CG ASN A 605 8.076 3.212 6.947 1.00 0.00 C ATOM 1107 OD1 ASN A 605 8.634 2.628 7.862 1.00 0.00 O ATOM 1108 ND2 ASN A 605 7.403 4.350 7.092 1.00 0.00 N ATOM 0 HA ASN A 605 8.978 0.718 5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 605 8.169 3.513 4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 605 7.163 2.163 5.299 1.00 0.00 H new ATOM 0 HD21 ASN A 605 7.331 4.786 8.011 1.00 0.00 H new ATOM 0 HD22 ASN A 605 6.959 4.787 6.284 1.00 0.00 H new ATOM 1115 N TYR A 606 8.666 1.996 2.983 1.00 0.00 N ATOM 1116 CA TYR A 606 8.893 2.075 1.550 1.00 0.00 C ATOM 1117 C TYR A 606 8.368 3.395 0.984 1.00 0.00 C ATOM 1118 O TYR A 606 7.563 4.072 1.622 1.00 0.00 O ATOM 1119 CB TYR A 606 8.103 0.918 0.934 1.00 0.00 C ATOM 1120 CG TYR A 606 8.701 -0.462 1.211 1.00 0.00 C ATOM 1121 CD1 TYR A 606 9.706 -0.953 0.404 1.00 0.00 C ATOM 1122 CD2 TYR A 606 8.236 -1.216 2.269 1.00 0.00 C ATOM 1123 CE1 TYR A 606 10.270 -2.252 0.665 1.00 0.00 C ATOM 1124 CE2 TYR A 606 8.799 -2.515 2.530 1.00 0.00 C ATOM 1125 CZ TYR A 606 9.788 -2.969 1.715 1.00 0.00 C ATOM 1126 OH TYR A 606 10.320 -4.197 1.961 1.00 0.00 O ATOM 0 H TYR A 606 7.694 2.116 3.268 1.00 0.00 H new ATOM 0 HA TYR A 606 9.958 2.020 1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.083 0.944 1.317 1.00 0.00 H new ATOM 0 HB3 TYR A 606 8.043 1.066 -0.144 1.00 0.00 H new ATOM 0 HD1 TYR A 606 10.070 -0.363 -0.424 1.00 0.00 H new ATOM 0 HD2 TYR A 606 7.449 -0.832 2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 606 11.058 -2.648 0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 606 8.444 -3.115 3.355 1.00 0.00 H new ATOM 0 HH TYR A 606 9.880 -4.594 2.742 1.00 0.00 H new ATOM 1136 N LEU A 607 8.844 3.722 -0.209 1.00 0.00 N ATOM 1137 CA LEU A 607 8.433 4.949 -0.868 1.00 0.00 C ATOM 1138 C LEU A 607 7.864 4.615 -2.249 1.00 0.00 C ATOM 1139 O LEU A 607 8.533 3.981 -3.063 1.00 0.00 O ATOM 1140 CB LEU A 607 9.589 5.951 -0.906 1.00 0.00 C ATOM 1141 CG LEU A 607 10.897 5.489 -0.261 1.00 0.00 C ATOM 1142 CD1 LEU A 607 10.688 5.139 1.213 1.00 0.00 C ATOM 1143 CD2 LEU A 607 11.515 4.329 -1.044 1.00 0.00 C ATOM 0 H LEU A 607 9.511 3.158 -0.736 1.00 0.00 H new ATOM 0 HA LEU A 607 7.638 5.436 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 607 9.790 6.205 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 607 9.266 6.867 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 607 11.606 6.316 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 607 11.633 4.814 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 607 10.326 6.017 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.955 4.336 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 607 12.444 4.020 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 607 10.819 3.490 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 607 11.723 4.649 -2.065 1.00 0.00 H new ATOM 1155 N PHE A 608 6.634 5.056 -2.469 1.00 0.00 N ATOM 1156 CA PHE A 608 5.967 4.812 -3.737 1.00 0.00 C ATOM 1157 C PHE A 608 5.404 6.109 -4.320 1.00 0.00 C ATOM 1158 O PHE A 608 4.968 6.989 -3.579 1.00 0.00 O ATOM 1159 CB PHE A 608 4.811 3.849 -3.456 1.00 0.00 C ATOM 1160 CG PHE A 608 5.165 2.716 -2.491 1.00 0.00 C ATOM 1161 CD1 PHE A 608 6.114 1.803 -2.833 1.00 0.00 C ATOM 1162 CD2 PHE A 608 4.532 2.622 -1.291 1.00 0.00 C ATOM 1163 CE1 PHE A 608 6.442 0.752 -1.937 1.00 0.00 C ATOM 1164 CE2 PHE A 608 4.860 1.570 -0.395 1.00 0.00 C ATOM 1165 CZ PHE A 608 5.809 0.657 -0.737 1.00 0.00 C ATOM 0 H PHE A 608 6.082 5.581 -1.791 1.00 0.00 H new ATOM 0 HA PHE A 608 6.675 4.400 -4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 608 3.973 4.413 -3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 608 4.474 3.418 -4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 608 6.617 1.878 -3.786 1.00 0.00 H new ATOM 0 HD2 PHE A 608 3.780 3.348 -1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 608 7.195 0.027 -2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 608 4.356 1.495 0.557 1.00 0.00 H new ATOM 0 HZ PHE A 608 6.060 -0.143 -0.056 1.00 0.00 H new ATOM 1175 N SER A 609 5.433 6.188 -5.642 1.00 0.00 N ATOM 1176 CA SER A 609 4.931 7.364 -6.333 1.00 0.00 C ATOM 1177 C SER A 609 3.654 7.015 -7.100 1.00 0.00 C ATOM 1178 O SER A 609 3.394 5.846 -7.381 1.00 0.00 O ATOM 1179 CB SER A 609 5.984 7.934 -7.286 1.00 0.00 C ATOM 1180 OG SER A 609 5.482 9.036 -8.037 1.00 0.00 O ATOM 0 H SER A 609 5.796 5.457 -6.253 1.00 0.00 H new ATOM 0 HA SER A 609 4.703 8.127 -5.589 1.00 0.00 H new ATOM 0 HB2 SER A 609 6.856 8.252 -6.715 1.00 0.00 H new ATOM 0 HB3 SER A 609 6.317 7.152 -7.968 1.00 0.00 H new ATOM 0 HG SER A 609 6.184 9.373 -8.632 1.00 0.00 H new ATOM 1186 N THR A 610 2.891 8.050 -7.417 1.00 0.00 N ATOM 1187 CA THR A 610 1.647 7.868 -8.146 1.00 0.00 C ATOM 1188 C THR A 610 1.860 6.931 -9.337 1.00 0.00 C ATOM 1189 O THR A 610 2.996 6.637 -9.705 1.00 0.00 O ATOM 1190 CB THR A 610 1.126 9.249 -8.546 1.00 0.00 C ATOM 1191 OG1 THR A 610 2.195 9.820 -9.296 1.00 0.00 O ATOM 1192 CG2 THR A 610 0.972 10.186 -7.346 1.00 0.00 C ATOM 0 H THR A 610 3.110 9.018 -7.182 1.00 0.00 H new ATOM 0 HA THR A 610 0.891 7.388 -7.525 1.00 0.00 H new ATOM 0 HB THR A 610 0.165 9.142 -9.050 1.00 0.00 H new ATOM 0 HG1 THR A 610 1.941 10.718 -9.597 1.00 0.00 H new ATOM 0 HG21 THR A 610 0.599 11.153 -7.685 1.00 0.00 H new ATOM 0 HG22 THR A 610 0.267 9.754 -6.635 1.00 0.00 H new ATOM 0 HG23 THR A 610 1.940 10.319 -6.862 1.00 0.00 H new ATOM 1200 N GLY A 611 0.749 6.487 -9.906 1.00 0.00 N ATOM 1201 CA GLY A 611 0.799 5.590 -11.048 1.00 0.00 C ATOM 1202 C GLY A 611 0.232 4.215 -10.689 1.00 0.00 C ATOM 1203 O GLY A 611 -0.799 4.118 -10.026 1.00 0.00 O ATOM 0 H GLY A 611 -0.192 6.732 -9.597 1.00 0.00 H new ATOM 0 HA2 GLY A 611 0.232 6.017 -11.875 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.829 5.485 -11.388 1.00 0.00 H new ATOM 1207 N THR A 612 0.930 3.185 -11.145 1.00 0.00 N ATOM 1208 CA THR A 612 0.509 1.820 -10.880 1.00 0.00 C ATOM 1209 C THR A 612 1.677 0.999 -10.329 1.00 0.00 C ATOM 1210 O THR A 612 2.764 0.996 -10.904 1.00 0.00 O ATOM 1211 CB THR A 612 -0.079 1.248 -12.172 1.00 0.00 C ATOM 1212 OG1 THR A 612 -1.065 2.203 -12.556 1.00 0.00 O ATOM 1213 CG2 THR A 612 -0.877 -0.036 -11.934 1.00 0.00 C ATOM 0 H THR A 612 1.784 3.269 -11.696 1.00 0.00 H new ATOM 0 HA THR A 612 -0.263 1.786 -10.111 1.00 0.00 H new ATOM 0 HB THR A 612 0.725 1.049 -12.880 1.00 0.00 H new ATOM 0 HG1 THR A 612 -1.496 1.912 -13.387 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.272 -0.400 -12.882 1.00 0.00 H new ATOM 0 HG22 THR A 612 -0.226 -0.793 -11.498 1.00 0.00 H new ATOM 0 HG23 THR A 612 -1.702 0.170 -11.252 1.00 0.00 H new ATOM 1221 N SER A 613 1.412 0.322 -9.221 1.00 0.00 N ATOM 1222 CA SER A 613 2.427 -0.501 -8.586 1.00 0.00 C ATOM 1223 C SER A 613 1.794 -1.778 -8.032 1.00 0.00 C ATOM 1224 O SER A 613 0.593 -1.816 -7.769 1.00 0.00 O ATOM 1225 CB SER A 613 3.139 0.266 -7.470 1.00 0.00 C ATOM 1226 OG SER A 613 4.483 -0.173 -7.294 1.00 0.00 O ATOM 0 H SER A 613 0.509 0.327 -8.747 1.00 0.00 H new ATOM 0 HA SER A 613 3.170 -0.768 -9.338 1.00 0.00 H new ATOM 0 HB2 SER A 613 3.133 1.331 -7.701 1.00 0.00 H new ATOM 0 HB3 SER A 613 2.591 0.139 -6.536 1.00 0.00 H new ATOM 0 HG SER A 613 4.904 0.342 -6.574 1.00 0.00 H new ATOM 1232 N THR A 614 2.630 -2.794 -7.870 1.00 0.00 N ATOM 1233 CA THR A 614 2.166 -4.069 -7.352 1.00 0.00 C ATOM 1234 C THR A 614 3.119 -4.583 -6.270 1.00 0.00 C ATOM 1235 O THR A 614 4.300 -4.805 -6.533 1.00 0.00 O ATOM 1236 CB THR A 614 2.012 -5.031 -8.532 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.259 -4.289 -9.488 1.00 0.00 O ATOM 1238 CG2 THR A 614 1.117 -6.227 -8.199 1.00 0.00 C ATOM 0 H THR A 614 3.626 -2.759 -8.089 1.00 0.00 H new ATOM 0 HA THR A 614 1.195 -3.969 -6.866 1.00 0.00 H new ATOM 0 HB THR A 614 2.995 -5.388 -8.841 1.00 0.00 H new ATOM 0 HG1 THR A 614 1.114 -4.837 -10.287 1.00 0.00 H new ATOM 0 HG21 THR A 614 1.041 -6.878 -9.070 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.548 -6.783 -7.367 1.00 0.00 H new ATOM 0 HG23 THR A 614 0.124 -5.873 -7.923 1.00 0.00 H new ATOM 1246 N TYR A 615 2.569 -4.757 -5.077 1.00 0.00 N ATOM 1247 CA TYR A 615 3.355 -5.240 -3.955 1.00 0.00 C ATOM 1248 C TYR A 615 3.189 -6.751 -3.779 1.00 0.00 C ATOM 1249 O TYR A 615 2.079 -7.236 -3.566 1.00 0.00 O ATOM 1250 CB TYR A 615 2.803 -4.531 -2.717 1.00 0.00 C ATOM 1251 CG TYR A 615 3.789 -4.459 -1.549 1.00 0.00 C ATOM 1252 CD1 TYR A 615 3.927 -5.535 -0.695 1.00 0.00 C ATOM 1253 CD2 TYR A 615 4.540 -3.319 -1.349 1.00 0.00 C ATOM 1254 CE1 TYR A 615 4.855 -5.467 0.404 1.00 0.00 C ATOM 1255 CE2 TYR A 615 5.468 -3.251 -0.250 1.00 0.00 C ATOM 1256 CZ TYR A 615 5.579 -4.329 0.572 1.00 0.00 C ATOM 1257 OH TYR A 615 6.456 -4.265 1.610 1.00 0.00 O ATOM 0 H TYR A 615 1.589 -4.572 -4.863 1.00 0.00 H new ATOM 0 HA TYR A 615 4.414 -5.039 -4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 615 2.507 -3.519 -2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.902 -5.048 -2.387 1.00 0.00 H new ATOM 0 HD1 TYR A 615 3.339 -6.427 -0.851 1.00 0.00 H new ATOM 0 HD2 TYR A 615 4.432 -2.477 -2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 615 4.973 -6.301 1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 615 6.062 -2.365 -0.082 1.00 0.00 H new ATOM 0 HH TYR A 615 7.050 -3.495 1.490 1.00 0.00 H new ATOM 1267 N THR A 616 4.309 -7.453 -3.875 1.00 0.00 N ATOM 1268 CA THR A 616 4.301 -8.898 -3.730 1.00 0.00 C ATOM 1269 C THR A 616 4.973 -9.306 -2.417 1.00 0.00 C ATOM 1270 O THR A 616 6.178 -9.120 -2.248 1.00 0.00 O ATOM 1271 CB THR A 616 4.968 -9.502 -4.967 1.00 0.00 C ATOM 1272 OG1 THR A 616 4.154 -9.061 -6.050 1.00 0.00 O ATOM 1273 CG2 THR A 616 4.852 -11.027 -5.010 1.00 0.00 C ATOM 0 H THR A 616 5.228 -7.047 -4.051 1.00 0.00 H new ATOM 0 HA THR A 616 3.283 -9.283 -3.672 1.00 0.00 H new ATOM 0 HB THR A 616 6.020 -9.218 -4.987 1.00 0.00 H new ATOM 0 HG1 THR A 616 4.516 -9.406 -6.893 1.00 0.00 H new ATOM 0 HG21 THR A 616 5.342 -11.404 -5.908 1.00 0.00 H new ATOM 0 HG22 THR A 616 5.332 -11.453 -4.129 1.00 0.00 H new ATOM 0 HG23 THR A 616 3.800 -11.312 -5.024 1.00 0.00 H new ATOM 1281 N PRO A 617 4.145 -9.869 -1.497 1.00 0.00 N ATOM 1282 CA PRO A 617 4.647 -10.305 -0.205 1.00 0.00 C ATOM 1283 C PRO A 617 5.442 -11.605 -0.336 1.00 0.00 C ATOM 1284 O PRO A 617 5.614 -12.124 -1.438 1.00 0.00 O ATOM 1285 CB PRO A 617 3.411 -10.449 0.668 1.00 0.00 C ATOM 1286 CG PRO A 617 2.233 -10.540 -0.288 1.00 0.00 C ATOM 1287 CD PRO A 617 2.713 -10.105 -1.662 1.00 0.00 C ATOM 0 HA PRO A 617 5.349 -9.597 0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 617 3.476 -11.340 1.293 1.00 0.00 H new ATOM 0 HB3 PRO A 617 3.305 -9.596 1.338 1.00 0.00 H new ATOM 0 HG2 PRO A 617 1.848 -11.559 -0.323 1.00 0.00 H new ATOM 0 HG3 PRO A 617 1.416 -9.902 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.522 -10.874 -2.410 1.00 0.00 H new ATOM 0 HD3 PRO A 617 2.199 -9.203 -1.994 1.00 0.00 H new ATOM 1361 N THR A 625 8.905 -7.409 -2.773 1.00 0.00 N ATOM 1362 CA THR A 625 9.223 -6.244 -3.581 1.00 0.00 C ATOM 1363 C THR A 625 7.965 -5.713 -4.269 1.00 0.00 C ATOM 1364 O THR A 625 6.928 -6.375 -4.274 1.00 0.00 O ATOM 1365 CB THR A 625 10.332 -6.636 -4.559 1.00 0.00 C ATOM 1366 OG1 THR A 625 9.960 -7.938 -5.002 1.00 0.00 O ATOM 1367 CG2 THR A 625 11.678 -6.849 -3.864 1.00 0.00 C ATOM 0 HA THR A 625 9.589 -5.423 -2.965 1.00 0.00 H new ATOM 0 HB THR A 625 10.435 -5.862 -5.319 1.00 0.00 H new ATOM 0 HG1 THR A 625 9.548 -8.430 -4.262 1.00 0.00 H new ATOM 0 HG21 THR A 625 12.430 -7.125 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 625 11.980 -5.928 -3.366 1.00 0.00 H new ATOM 0 HG23 THR A 625 11.585 -7.646 -3.126 1.00 0.00 H new ATOM 1375 N ILE A 626 8.097 -4.521 -4.834 1.00 0.00 N ATOM 1376 CA ILE A 626 6.983 -3.893 -5.525 1.00 0.00 C ATOM 1377 C ILE A 626 7.370 -3.640 -6.983 1.00 0.00 C ATOM 1378 O ILE A 626 8.410 -3.044 -7.259 1.00 0.00 O ATOM 1379 CB ILE A 626 6.533 -2.634 -4.780 1.00 0.00 C ATOM 1380 CG1 ILE A 626 6.997 -2.664 -3.323 1.00 0.00 C ATOM 1381 CG2 ILE A 626 5.019 -2.441 -4.896 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.384 -2.034 -3.176 1.00 0.00 C ATOM 0 H ILE A 626 8.958 -3.974 -4.827 1.00 0.00 H new ATOM 0 HA ILE A 626 6.118 -4.556 -5.536 1.00 0.00 H new ATOM 0 HB ILE A 626 7.005 -1.771 -5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 626 6.282 -2.128 -2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 626 7.022 -3.694 -2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 626 4.725 -1.540 -4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.744 -2.343 -5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.508 -3.303 -4.466 1.00 0.00 H new ATOM 0 HD11 ILE A 626 8.690 -2.068 -2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 626 9.101 -2.587 -3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 626 8.350 -0.997 -3.510 1.00 0.00 H new ATOM 1394 N ARG A 627 6.512 -4.106 -7.879 1.00 0.00 N ATOM 1395 CA ARG A 627 6.751 -3.938 -9.302 1.00 0.00 C ATOM 1396 C ARG A 627 5.772 -2.918 -9.888 1.00 0.00 C ATOM 1397 O ARG A 627 4.562 -3.036 -9.702 1.00 0.00 O ATOM 1398 CB ARG A 627 6.599 -5.266 -10.047 1.00 0.00 C ATOM 1399 CG ARG A 627 7.305 -5.217 -11.404 1.00 0.00 C ATOM 1400 CD ARG A 627 8.538 -6.123 -11.413 1.00 0.00 C ATOM 1401 NE ARG A 627 9.198 -6.066 -12.736 1.00 0.00 N ATOM 1402 CZ ARG A 627 9.998 -5.057 -13.140 1.00 0.00 C ATOM 1403 NH1 ARG A 627 10.245 -4.010 -12.325 1.00 0.00 N ATOM 1404 NH2 ARG A 627 10.536 -5.109 -14.345 1.00 0.00 N ATOM 0 H ARG A 627 5.650 -4.600 -7.647 1.00 0.00 H new ATOM 0 HA ARG A 627 7.773 -3.580 -9.426 1.00 0.00 H new ATOM 0 HB2 ARG A 627 7.015 -6.074 -9.446 1.00 0.00 H new ATOM 0 HB3 ARG A 627 5.541 -5.487 -10.191 1.00 0.00 H new ATOM 0 HG2 ARG A 627 6.615 -5.528 -12.188 1.00 0.00 H new ATOM 0 HG3 ARG A 627 7.601 -4.192 -11.627 1.00 0.00 H new ATOM 0 HD2 ARG A 627 9.235 -5.810 -10.636 1.00 0.00 H new ATOM 0 HD3 ARG A 627 8.247 -7.149 -11.186 1.00 0.00 H new ATOM 0 HE ARG A 627 9.038 -6.838 -13.383 1.00 0.00 H new ATOM 0 HH11 ARG A 627 9.826 -3.977 -11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 627 10.851 -3.252 -12.638 1.00 0.00 H new ATOM 0 HH21 ARG A 627 10.345 -5.904 -14.955 1.00 0.00 H new ATOM 0 HH22 ARG A 627 11.143 -4.354 -14.666 1.00 0.00 H new ATOM 1417 N THR A 628 6.332 -1.939 -10.583 1.00 0.00 N ATOM 1418 CA THR A 628 5.524 -0.900 -11.197 1.00 0.00 C ATOM 1419 C THR A 628 4.850 -1.427 -12.465 1.00 0.00 C ATOM 1420 O THR A 628 5.408 -2.271 -13.165 1.00 0.00 O ATOM 1421 CB THR A 628 6.423 0.313 -11.447 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.662 -0.043 -10.839 1.00 0.00 O ATOM 1423 CG2 THR A 628 5.967 1.549 -10.669 1.00 0.00 C ATOM 0 H THR A 628 7.336 -1.844 -10.734 1.00 0.00 H new ATOM 0 HA THR A 628 4.712 -0.591 -10.539 1.00 0.00 H new ATOM 0 HB THR A 628 6.439 0.541 -12.513 1.00 0.00 H new ATOM 0 HG1 THR A 628 8.305 0.687 -10.955 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.638 2.381 -10.882 1.00 0.00 H new ATOM 0 HG22 THR A 628 4.953 1.815 -10.970 1.00 0.00 H new ATOM 0 HG23 THR A 628 5.984 1.333 -9.601 1.00 0.00 H new ATOM 1431 N GLY A 629 3.658 -0.908 -12.723 1.00 0.00 N ATOM 1432 CA GLY A 629 2.902 -1.316 -13.895 1.00 0.00 C ATOM 1433 C GLY A 629 1.635 -2.073 -13.493 1.00 0.00 C ATOM 1434 O GLY A 629 1.648 -2.853 -12.542 1.00 0.00 O ATOM 0 H GLY A 629 3.197 -0.209 -12.140 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.634 -0.438 -14.483 1.00 0.00 H new ATOM 0 HA3 GLY A 629 3.522 -1.949 -14.530 1.00 0.00 H new ATOM 1438 N ALA A 630 0.570 -1.817 -14.238 1.00 0.00 N ATOM 1439 CA ALA A 630 -0.704 -2.465 -13.972 1.00 0.00 C ATOM 1440 C ALA A 630 -0.535 -3.981 -14.094 1.00 0.00 C ATOM 1441 O ALA A 630 -0.060 -4.476 -15.114 1.00 0.00 O ATOM 1442 CB ALA A 630 -1.765 -1.918 -14.928 1.00 0.00 C ATOM 0 H ALA A 630 0.563 -1.170 -15.026 1.00 0.00 H new ATOM 0 HA ALA A 630 -1.039 -2.251 -12.957 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -2.720 -2.404 -14.728 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.867 -0.843 -14.781 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.465 -2.117 -15.957 1.00 0.00 H new ATOM 1448 N PRO A 631 -0.944 -4.694 -13.010 1.00 0.00 N ATOM 1449 CA PRO A 631 -0.844 -6.143 -12.986 1.00 0.00 C ATOM 1450 C PRO A 631 -1.926 -6.782 -13.859 1.00 0.00 C ATOM 1451 O PRO A 631 -2.975 -6.183 -14.092 1.00 0.00 O ATOM 1452 CB PRO A 631 -0.964 -6.522 -11.519 1.00 0.00 C ATOM 1453 CG PRO A 631 -1.590 -5.321 -10.829 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.512 -4.141 -11.784 1.00 0.00 C ATOM 0 HA PRO A 631 0.096 -6.506 -13.402 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -1.583 -7.411 -11.394 1.00 0.00 H new ATOM 0 HB3 PRO A 631 0.013 -6.752 -11.094 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -2.627 -5.530 -10.565 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -1.064 -5.097 -9.901 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.497 -3.711 -11.963 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -0.885 -3.346 -11.381 1.00 0.00 H new ATOM 1462 N SER A 632 -1.634 -7.990 -14.318 1.00 0.00 N ATOM 1463 CA SER A 632 -2.569 -8.717 -15.160 1.00 0.00 C ATOM 1464 C SER A 632 -2.557 -10.203 -14.794 1.00 0.00 C ATOM 1465 O SER A 632 -1.979 -11.018 -15.512 1.00 0.00 O ATOM 1466 CB SER A 632 -2.234 -8.533 -16.641 1.00 0.00 C ATOM 1467 OG SER A 632 -2.918 -7.419 -17.208 1.00 0.00 O ATOM 0 H SER A 632 -0.763 -8.484 -14.123 1.00 0.00 H new ATOM 0 HA SER A 632 -3.567 -8.315 -14.988 1.00 0.00 H new ATOM 0 HB2 SER A 632 -1.159 -8.395 -16.755 1.00 0.00 H new ATOM 0 HB3 SER A 632 -2.499 -9.438 -17.188 1.00 0.00 H new ATOM 0 HG SER A 632 -2.677 -7.334 -18.154 1.00 0.00 H new