USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 714 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 74:sc= 0.134 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= -1.36 USER MOD Set 2.2: A 578 THR OG1 : rot 180:sc= -0.0146 USER MOD Set 3.1: A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 546 SER OG : rot 101:sc= -0.0954! USER MOD Set 4.1: A 541 LYS NZ :NH3+ -155:sc= 0.0097 (180deg=0) USER MOD Set 4.2: A 574 TYR OH : rot 180:sc= 0.0103 USER MOD Single : A 532 THR OG1 : rot 97:sc= 0.237 USER MOD Single : A 533 THR OG1 : rot 57:sc= 0.00595 USER MOD Single : A 534 ASN : amide:sc= -3.25! C(o=-3.2!,f=-5.1!) USER MOD Single : A 535 LYS NZ :NH3+ -127:sc= 0.569 (180deg=0.0347) USER MOD Single : A 539 TYR OH : rot 180:sc= -0.081 USER MOD Single : A 540 TYR OH : rot 30:sc= -0.637 USER MOD Single : A 545 ASN :FLIP amide:sc= -0.684 F(o=-1.3,f=-0.68) USER MOD Single : A 548 TYR OH : rot 180:sc= 0 USER MOD Single : A 550 HIS :FLIP no HE2:sc= -4.08! F(o=-5.7,f=-4.1!) USER MOD Single : A 551 TYR OH : rot 167:sc= -4.89! USER MOD Single : A 557 SER OG : rot -100:sc= -0.18 USER MOD Single : A 559 THR OG1 : rot 180:sc= 0.00537 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 MET CE :methyl -109:sc= -7.5! (180deg=-10.2!) USER MOD Single : A 567 GLN : amide:sc= -0.31 K(o=-0.31,f=-2.7!) USER MOD Single : A 572 SER OG : 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 X(o=0,f=-0.11) USER MOD Single : A 592 ASN : amide:sc= -1.91 K(o=-1.9,f=-5.6!) USER MOD Single : A 595 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.17) USER MOD Single : A 596 ASN : amide:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : A 597 ASN :FLIP amide:sc= 0.772 F(o=-1.3,f=0.77) USER MOD Single : A 600 SER OG : rot 180:sc= 0 USER MOD Single : A 601 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.4!) USER MOD Single : A 602 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 603 THR OG1 : rot -70:sc= 1.1 USER MOD Single : A 604 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0702) USER MOD Single : A 605 ASN : amide:sc= -10.4! C(o=-10!,f=-16!) USER MOD Single : A 606 TYR OH : rot 180:sc= 0 USER MOD Single : A 612 THR OG1 : rot 180:sc= 0 USER MOD Single : A 613 SER OG : rot 180:sc= 0 USER MOD Single : A 614 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 615 TYR OH : rot 116:sc= 0.9 USER MOD Single : A 616 THR OG1 : rot 180:sc= 0 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 ASN : amide:sc= -2.36 K(o=-2.4,f=-3.4!) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 632 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 530 -9.697 15.597 -0.620 1.00 0.00 N ATOM 2 CA GLY A 530 -9.197 16.959 -0.709 1.00 0.00 C ATOM 3 C GLY A 530 -8.470 17.190 -2.035 1.00 0.00 C ATOM 4 O GLY A 530 -9.078 17.627 -3.012 1.00 0.00 O ATOM 0 HA2 GLY A 530 -10.026 17.661 -0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 530 -8.519 17.156 0.121 1.00 0.00 H new ATOM 8 N GLY A 531 -7.181 16.887 -2.028 1.00 0.00 N ATOM 9 CA GLY A 531 -6.365 17.057 -3.218 1.00 0.00 C ATOM 10 C GLY A 531 -7.054 16.456 -4.445 1.00 0.00 C ATOM 11 O GLY A 531 -7.333 17.162 -5.413 1.00 0.00 O ATOM 0 H GLY A 531 -6.681 16.524 -1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 531 -6.176 18.117 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 531 -5.396 16.580 -3.070 1.00 0.00 H new ATOM 15 N THR A 532 -7.309 15.158 -4.365 1.00 0.00 N ATOM 16 CA THR A 532 -7.960 14.455 -5.457 1.00 0.00 C ATOM 17 C THR A 532 -7.183 14.656 -6.760 1.00 0.00 C ATOM 18 O THR A 532 -7.718 14.437 -7.846 1.00 0.00 O ATOM 19 CB THR A 532 -9.409 14.937 -5.533 1.00 0.00 C ATOM 20 OG1 THR A 532 -9.856 14.910 -4.180 1.00 0.00 O ATOM 21 CG2 THR A 532 -10.323 13.939 -6.247 1.00 0.00 C ATOM 0 H THR A 532 -7.076 14.575 -3.561 1.00 0.00 H new ATOM 0 HA THR A 532 -7.969 13.379 -5.284 1.00 0.00 H new ATOM 0 HB THR A 532 -9.445 15.896 -6.050 1.00 0.00 H new ATOM 0 HG1 THR A 532 -9.780 15.807 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 532 -11.340 14.331 -6.273 1.00 0.00 H new ATOM 0 HG22 THR A 532 -9.968 13.785 -7.266 1.00 0.00 H new ATOM 0 HG23 THR A 532 -10.314 12.990 -5.712 1.00 0.00 H new ATOM 29 N THR A 533 -5.934 15.072 -6.608 1.00 0.00 N ATOM 30 CA THR A 533 -5.079 15.305 -7.759 1.00 0.00 C ATOM 31 C THR A 533 -4.477 13.988 -8.253 1.00 0.00 C ATOM 32 O THR A 533 -5.001 13.369 -9.177 1.00 0.00 O ATOM 33 CB THR A 533 -4.027 16.344 -7.364 1.00 0.00 C ATOM 34 OG1 THR A 533 -4.720 17.586 -7.440 1.00 0.00 O ATOM 35 CG2 THR A 533 -2.913 16.475 -8.404 1.00 0.00 C ATOM 0 H THR A 533 -5.494 15.253 -5.706 1.00 0.00 H new ATOM 0 HA THR A 533 -5.648 15.701 -8.600 1.00 0.00 H new ATOM 0 HB THR A 533 -3.594 16.073 -6.401 1.00 0.00 H new ATOM 0 HG1 THR A 533 -5.507 17.558 -6.856 1.00 0.00 H new ATOM 0 HG21 THR A 533 -2.194 17.225 -8.074 1.00 0.00 H new ATOM 0 HG22 THR A 533 -2.409 15.515 -8.520 1.00 0.00 H new ATOM 0 HG23 THR A 533 -3.341 16.778 -9.359 1.00 0.00 H new ATOM 43 N ASN A 534 -3.383 13.599 -7.614 1.00 0.00 N ATOM 44 CA ASN A 534 -2.704 12.366 -7.976 1.00 0.00 C ATOM 45 C ASN A 534 -3.100 11.263 -6.993 1.00 0.00 C ATOM 46 O ASN A 534 -3.611 11.545 -5.910 1.00 0.00 O ATOM 47 CB ASN A 534 -1.184 12.535 -7.910 1.00 0.00 C ATOM 48 CG ASN A 534 -0.577 12.582 -9.313 1.00 0.00 C ATOM 49 OD1 ASN A 534 -1.211 12.257 -10.304 1.00 0.00 O ATOM 50 ND2 ASN A 534 0.684 13.003 -9.343 1.00 0.00 N ATOM 0 H ASN A 534 -2.950 14.116 -6.848 1.00 0.00 H new ATOM 0 HA ASN A 534 -2.995 12.107 -8.994 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -0.939 13.451 -7.373 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -0.747 11.710 -7.348 1.00 0.00 H new ATOM 0 HD21 ASN A 534 1.179 13.069 -10.233 1.00 0.00 H new ATOM 0 HD22 ASN A 534 1.157 13.260 -8.476 1.00 0.00 H new ATOM 57 N LYS A 535 -2.850 10.029 -7.405 1.00 0.00 N ATOM 58 CA LYS A 535 -3.174 8.882 -6.575 1.00 0.00 C ATOM 59 C LYS A 535 -2.169 7.761 -6.846 1.00 0.00 C ATOM 60 O LYS A 535 -1.651 7.641 -7.956 1.00 0.00 O ATOM 61 CB LYS A 535 -4.631 8.465 -6.782 1.00 0.00 C ATOM 62 CG LYS A 535 -5.587 9.582 -6.356 1.00 0.00 C ATOM 63 CD LYS A 535 -5.779 10.598 -7.483 1.00 0.00 C ATOM 64 CE LYS A 535 -7.157 10.445 -8.131 1.00 0.00 C ATOM 65 NZ LYS A 535 -7.337 11.443 -9.208 1.00 0.00 N ATOM 0 H LYS A 535 -2.426 9.799 -8.304 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.087 9.140 -5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -4.797 8.220 -7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -4.840 7.563 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -6.551 9.155 -6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -5.194 10.084 -5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -5.669 11.608 -7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -5.002 10.463 -8.236 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -7.265 9.439 -8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -7.935 10.569 -7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -8.219 11.970 -9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -6.534 12.104 -9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -7.385 10.958 -10.127 1.00 0.00 H new ATOM 78 N VAL A 536 -1.923 6.967 -5.814 1.00 0.00 N ATOM 79 CA VAL A 536 -0.989 5.859 -5.928 1.00 0.00 C ATOM 80 C VAL A 536 -1.741 4.542 -5.731 1.00 0.00 C ATOM 81 O VAL A 536 -2.230 4.259 -4.638 1.00 0.00 O ATOM 82 CB VAL A 536 0.163 6.043 -4.939 1.00 0.00 C ATOM 83 CG1 VAL A 536 1.111 7.152 -5.401 1.00 0.00 C ATOM 84 CG2 VAL A 536 -0.363 6.324 -3.530 1.00 0.00 C ATOM 0 H VAL A 536 -2.354 7.069 -4.895 1.00 0.00 H new ATOM 0 HA VAL A 536 -0.545 5.834 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 536 0.728 5.111 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 536 1.921 7.262 -4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 536 1.525 6.894 -6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 536 0.563 8.091 -5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 536 0.477 6.451 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -0.963 7.234 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -0.978 5.488 -3.198 1.00 0.00 H new ATOM 94 N THR A 537 -1.811 3.770 -6.806 1.00 0.00 N ATOM 95 CA THR A 537 -2.495 2.489 -6.765 1.00 0.00 C ATOM 96 C THR A 537 -1.485 1.349 -6.624 1.00 0.00 C ATOM 97 O THR A 537 -0.567 1.224 -7.433 1.00 0.00 O ATOM 98 CB THR A 537 -3.365 2.378 -8.019 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.342 3.402 -7.856 1.00 0.00 O ATOM 100 CG2 THR A 537 -4.182 1.085 -8.052 1.00 0.00 C ATOM 0 H THR A 537 -1.405 4.008 -7.711 1.00 0.00 H new ATOM 0 HA THR A 537 -3.145 2.415 -5.893 1.00 0.00 H new ATOM 0 HB THR A 537 -2.732 2.430 -8.905 1.00 0.00 H new ATOM 0 HG1 THR A 537 -4.947 3.402 -8.627 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.781 1.056 -8.962 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.508 0.228 -8.034 1.00 0.00 H new ATOM 0 HG23 THR A 537 -4.839 1.048 -7.183 1.00 0.00 H new ATOM 108 N VAL A 538 -1.687 0.547 -5.588 1.00 0.00 N ATOM 109 CA VAL A 538 -0.805 -0.578 -5.330 1.00 0.00 C ATOM 110 C VAL A 538 -1.640 -1.852 -5.185 1.00 0.00 C ATOM 111 O VAL A 538 -2.656 -1.857 -4.492 1.00 0.00 O ATOM 112 CB VAL A 538 0.065 -0.291 -4.104 1.00 0.00 C ATOM 113 CG1 VAL A 538 1.290 -1.207 -4.075 1.00 0.00 C ATOM 114 CG2 VAL A 538 0.479 1.181 -4.059 1.00 0.00 C ATOM 0 H VAL A 538 -2.449 0.654 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.124 -0.729 -6.167 1.00 0.00 H new ATOM 0 HB VAL A 538 -0.529 -0.499 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 538 1.891 -0.983 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.966 -2.247 -4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.887 -1.045 -4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 538 1.096 1.359 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 538 1.047 1.427 -4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -0.411 1.808 -4.010 1.00 0.00 H new ATOM 124 N TYR A 539 -1.181 -2.901 -5.850 1.00 0.00 N ATOM 125 CA TYR A 539 -1.872 -4.178 -5.804 1.00 0.00 C ATOM 126 C TYR A 539 -1.073 -5.206 -5.001 1.00 0.00 C ATOM 127 O TYR A 539 0.042 -5.563 -5.377 1.00 0.00 O ATOM 128 CB TYR A 539 -1.978 -4.653 -7.255 1.00 0.00 C ATOM 129 CG TYR A 539 -3.278 -4.244 -7.951 1.00 0.00 C ATOM 130 CD1 TYR A 539 -3.746 -2.951 -7.833 1.00 0.00 C ATOM 131 CD2 TYR A 539 -3.983 -5.168 -8.695 1.00 0.00 C ATOM 132 CE1 TYR A 539 -4.969 -2.565 -8.488 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.206 -4.782 -9.350 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.639 -3.500 -9.214 1.00 0.00 C ATOM 135 OH TYR A 539 -6.794 -3.137 -9.832 1.00 0.00 O ATOM 0 H TYR A 539 -0.338 -2.893 -6.424 1.00 0.00 H new ATOM 0 HA TYR A 539 -2.846 -4.070 -5.327 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.135 -4.254 -7.819 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -1.892 -5.739 -7.278 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -3.195 -2.229 -7.249 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -3.618 -6.180 -8.786 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -5.346 -1.556 -8.405 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -5.767 -5.495 -9.936 1.00 0.00 H new ATOM 0 HH TYR A 539 -7.163 -3.906 -10.315 1.00 0.00 H new ATOM 145 N TYR A 540 -1.675 -5.654 -3.909 1.00 0.00 N ATOM 146 CA TYR A 540 -1.034 -6.634 -3.049 1.00 0.00 C ATOM 147 C TYR A 540 -1.728 -7.993 -3.153 1.00 0.00 C ATOM 148 O TYR A 540 -2.956 -8.065 -3.198 1.00 0.00 O ATOM 149 CB TYR A 540 -1.185 -6.105 -1.621 1.00 0.00 C ATOM 150 CG TYR A 540 -0.677 -7.066 -0.545 1.00 0.00 C ATOM 151 CD1 TYR A 540 -1.462 -8.126 -0.140 1.00 0.00 C ATOM 152 CD2 TYR A 540 0.567 -6.873 0.022 1.00 0.00 C ATOM 153 CE1 TYR A 540 -0.984 -9.031 0.873 1.00 0.00 C ATOM 154 CE2 TYR A 540 1.045 -7.778 1.035 1.00 0.00 C ATOM 155 CZ TYR A 540 0.246 -8.812 1.411 1.00 0.00 C ATOM 156 OH TYR A 540 0.697 -9.667 2.368 1.00 0.00 O ATOM 0 H TYR A 540 -2.600 -5.356 -3.600 1.00 0.00 H new ATOM 0 HA TYR A 540 0.009 -6.772 -3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -0.646 -5.162 -1.535 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -2.237 -5.889 -1.434 1.00 0.00 H new ATOM 0 HD1 TYR A 540 -2.435 -8.277 -0.583 1.00 0.00 H new ATOM 0 HD2 TYR A 540 1.182 -6.043 -0.294 1.00 0.00 H new ATOM 0 HE1 TYR A 540 -1.588 -9.865 1.198 1.00 0.00 H new ATOM 0 HE2 TYR A 540 2.016 -7.639 1.486 1.00 0.00 H new ATOM 0 HH TYR A 540 0.316 -10.557 2.217 1.00 0.00 H new ATOM 166 N LYS A 541 -0.914 -9.037 -3.187 1.00 0.00 N ATOM 167 CA LYS A 541 -1.435 -10.390 -3.285 1.00 0.00 C ATOM 168 C LYS A 541 -1.683 -10.939 -1.879 1.00 0.00 C ATOM 169 O LYS A 541 -0.770 -10.986 -1.056 1.00 0.00 O ATOM 170 CB LYS A 541 -0.505 -11.263 -4.130 1.00 0.00 C ATOM 171 CG LYS A 541 -0.865 -12.743 -3.991 1.00 0.00 C ATOM 172 CD LYS A 541 0.032 -13.611 -4.875 1.00 0.00 C ATOM 173 CE LYS A 541 -0.729 -14.831 -5.398 1.00 0.00 C ATOM 174 NZ LYS A 541 -0.796 -14.806 -6.877 1.00 0.00 N ATOM 0 H LYS A 541 0.103 -8.974 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.394 -10.392 -3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.573 -10.965 -5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.528 -11.106 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -0.762 -13.050 -2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -1.909 -12.894 -4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 541 0.402 -13.021 -5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 541 0.903 -13.937 -4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 541 -0.236 -15.744 -5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -1.737 -14.844 -4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 -1.623 -15.349 -7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -0.880 -13.822 -7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 0.069 -15.229 -7.271 1.00 0.00 H new ATOM 187 N LYS A 542 -2.924 -11.340 -1.645 1.00 0.00 N ATOM 188 CA LYS A 542 -3.305 -11.884 -0.353 1.00 0.00 C ATOM 189 C LYS A 542 -3.046 -13.392 -0.342 1.00 0.00 C ATOM 190 O LYS A 542 -3.323 -14.079 -1.324 1.00 0.00 O ATOM 191 CB LYS A 542 -4.748 -11.505 -0.016 1.00 0.00 C ATOM 192 CG LYS A 542 -5.168 -12.090 1.334 1.00 0.00 C ATOM 193 CD LYS A 542 -6.690 -12.221 1.426 1.00 0.00 C ATOM 194 CE LYS A 542 -7.384 -11.097 0.655 1.00 0.00 C ATOM 195 NZ LYS A 542 -8.721 -10.824 1.229 1.00 0.00 N ATOM 0 H LYS A 542 -3.679 -11.299 -2.329 1.00 0.00 H new ATOM 0 HA LYS A 542 -2.693 -11.450 0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -4.847 -10.420 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -5.415 -11.869 -0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -4.706 -13.068 1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -4.805 -11.452 2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -7.000 -13.186 1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -6.998 -12.194 2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -6.775 -10.194 0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -7.482 -11.374 -0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -9.179 -10.058 0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -9.305 -11.683 1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -8.620 -10.539 2.224 1.00 0.00 H new ATOM 208 N GLY A 543 -2.519 -13.862 0.778 1.00 0.00 N ATOM 209 CA GLY A 543 -2.222 -12.979 1.894 1.00 0.00 C ATOM 210 C GLY A 543 -2.338 -13.721 3.226 1.00 0.00 C ATOM 211 O GLY A 543 -1.663 -14.727 3.442 1.00 0.00 O ATOM 0 H GLY A 543 -2.290 -14.843 0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -1.215 -12.575 1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -2.908 -12.132 1.885 1.00 0.00 H new ATOM 215 N PHE A 544 -3.198 -13.197 4.087 1.00 0.00 N ATOM 216 CA PHE A 544 -3.411 -13.797 5.393 1.00 0.00 C ATOM 217 C PHE A 544 -4.904 -13.960 5.684 1.00 0.00 C ATOM 218 O PHE A 544 -5.483 -15.010 5.409 1.00 0.00 O ATOM 219 CB PHE A 544 -2.802 -12.847 6.426 1.00 0.00 C ATOM 220 CG PHE A 544 -1.402 -13.250 6.893 1.00 0.00 C ATOM 221 CD1 PHE A 544 -0.333 -13.072 6.071 1.00 0.00 C ATOM 222 CD2 PHE A 544 -1.226 -13.787 8.131 1.00 0.00 C ATOM 223 CE1 PHE A 544 0.966 -13.446 6.505 1.00 0.00 C ATOM 224 CE2 PHE A 544 0.073 -14.161 8.564 1.00 0.00 C ATOM 225 CZ PHE A 544 1.142 -13.982 7.742 1.00 0.00 C ATOM 0 H PHE A 544 -3.756 -12.363 3.905 1.00 0.00 H new ATOM 0 HA PHE A 544 -2.952 -14.785 5.429 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -2.757 -11.844 6.001 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -3.462 -12.797 7.292 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -0.472 -12.646 5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -2.075 -13.929 8.784 1.00 0.00 H new ATOM 0 HE1 PHE A 544 1.815 -13.305 5.852 1.00 0.00 H new ATOM 0 HE2 PHE A 544 0.213 -14.588 9.546 1.00 0.00 H new ATOM 0 HZ PHE A 544 2.130 -14.266 8.072 1.00 0.00 H new ATOM 235 N ASN A 545 -5.485 -12.906 6.238 1.00 0.00 N ATOM 236 CA ASN A 545 -6.899 -12.919 6.570 1.00 0.00 C ATOM 237 C ASN A 545 -7.462 -11.502 6.442 1.00 0.00 C ATOM 238 O ASN A 545 -8.430 -11.152 7.115 1.00 0.00 O ATOM 239 CB ASN A 545 -7.123 -13.388 8.009 1.00 0.00 C ATOM 240 CG ASN A 545 -5.998 -14.321 8.462 1.00 0.00 C ATOM 241 OD1 ASN A 545 -6.108 -15.564 8.002 1.00 0.00 O flip ATOM 242 ND2 ASN A 545 -5.091 -13.938 9.182 1.00 0.00 N flip ATOM 0 H ASN A 545 -5.002 -12.037 6.465 1.00 0.00 H new ATOM 0 HA ASN A 545 -7.399 -13.604 5.885 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -7.174 -12.525 8.673 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -8.080 -13.904 8.082 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -5.067 -12.969 9.500 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -4.357 -14.587 9.466 1.00 0.00 H new ATOM 249 N SER A 546 -6.831 -10.725 5.573 1.00 0.00 N ATOM 250 CA SER A 546 -7.257 -9.354 5.349 1.00 0.00 C ATOM 251 C SER A 546 -6.610 -8.430 6.382 1.00 0.00 C ATOM 252 O SER A 546 -7.292 -7.895 7.255 1.00 0.00 O ATOM 253 CB SER A 546 -8.781 -9.234 5.409 1.00 0.00 C ATOM 254 OG SER A 546 -9.427 -10.448 5.037 1.00 0.00 O ATOM 0 H SER A 546 -6.029 -11.019 5.016 1.00 0.00 H new ATOM 0 HA SER A 546 -6.936 -9.054 4.352 1.00 0.00 H new ATOM 0 HB2 SER A 546 -9.083 -8.957 6.419 1.00 0.00 H new ATOM 0 HB3 SER A 546 -9.108 -8.432 4.747 1.00 0.00 H new ATOM 0 HG SER A 546 -9.721 -10.922 5.843 1.00 0.00 H new ATOM 260 N PRO A 547 -5.267 -8.265 6.245 1.00 0.00 N ATOM 261 CA PRO A 547 -4.521 -7.413 7.156 1.00 0.00 C ATOM 262 C PRO A 547 -4.768 -5.935 6.851 1.00 0.00 C ATOM 263 O PRO A 547 -5.425 -5.602 5.866 1.00 0.00 O ATOM 264 CB PRO A 547 -3.068 -7.822 6.975 1.00 0.00 C ATOM 265 CG PRO A 547 -3.003 -8.554 5.644 1.00 0.00 C ATOM 266 CD PRO A 547 -4.427 -8.882 5.223 1.00 0.00 C ATOM 0 HA PRO A 547 -4.830 -7.535 8.194 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -2.414 -6.950 6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -2.739 -8.465 7.791 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -2.515 -7.935 4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -2.413 -9.466 5.738 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -4.649 -8.483 4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -4.588 -9.959 5.175 1.00 0.00 H new ATOM 274 N TYR A 548 -4.230 -5.087 7.715 1.00 0.00 N ATOM 275 CA TYR A 548 -4.384 -3.652 7.551 1.00 0.00 C ATOM 276 C TYR A 548 -3.068 -3.006 7.112 1.00 0.00 C ATOM 277 O TYR A 548 -1.994 -3.416 7.549 1.00 0.00 O ATOM 278 CB TYR A 548 -4.770 -3.109 8.928 1.00 0.00 C ATOM 279 CG TYR A 548 -6.268 -2.846 9.096 1.00 0.00 C ATOM 280 CD1 TYR A 548 -6.799 -1.625 8.733 1.00 0.00 C ATOM 281 CD2 TYR A 548 -7.088 -3.830 9.610 1.00 0.00 C ATOM 282 CE1 TYR A 548 -8.209 -1.378 8.891 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.498 -3.582 9.768 1.00 0.00 C ATOM 284 CZ TYR A 548 -8.989 -2.369 9.400 1.00 0.00 C ATOM 285 OH TYR A 548 -10.320 -2.135 9.550 1.00 0.00 O ATOM 0 H TYR A 548 -3.686 -5.367 8.532 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.132 -3.431 6.790 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.449 -3.819 9.690 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -4.226 -2.181 9.107 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -6.157 -0.855 8.331 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -6.673 -4.786 9.894 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -8.637 -0.427 8.611 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -9.151 -4.343 10.170 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.752 -2.931 9.923 1.00 0.00 H new ATOM 295 N ILE A 549 -3.195 -2.005 6.252 1.00 0.00 N ATOM 296 CA ILE A 549 -2.030 -1.298 5.749 1.00 0.00 C ATOM 297 C ILE A 549 -2.090 0.162 6.200 1.00 0.00 C ATOM 298 O ILE A 549 -3.169 0.748 6.275 1.00 0.00 O ATOM 299 CB ILE A 549 -1.912 -1.469 4.233 1.00 0.00 C ATOM 300 CG1 ILE A 549 -1.924 -2.950 3.846 1.00 0.00 C ATOM 301 CG2 ILE A 549 -0.678 -0.745 3.694 1.00 0.00 C ATOM 302 CD1 ILE A 549 -1.315 -3.158 2.458 1.00 0.00 C ATOM 0 H ILE A 549 -4.087 -1.667 5.891 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.117 -1.723 6.166 1.00 0.00 H new ATOM 0 HB ILE A 549 -2.783 -1.008 3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -1.365 -3.527 4.583 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -2.948 -3.325 3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -0.618 -0.883 2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -0.752 0.319 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 549 0.217 -1.154 4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -1.335 -4.218 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -1.891 -2.599 1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -0.284 -2.805 2.456 1.00 0.00 H new ATOM 314 N HIS A 550 -0.918 0.708 6.489 1.00 0.00 N ATOM 315 CA HIS A 550 -0.824 2.089 6.931 1.00 0.00 C ATOM 316 C HIS A 550 0.235 2.822 6.105 1.00 0.00 C ATOM 317 O HIS A 550 1.413 2.469 6.147 1.00 0.00 O ATOM 318 CB HIS A 550 -0.558 2.162 8.435 1.00 0.00 C ATOM 319 CG HIS A 550 -0.874 3.504 9.051 1.00 0.00 C ATOM 320 ND1 HIS A 550 -0.640 3.986 10.306 1.00 0.00 N flip ATOM 321 CD2 HIS A 550 -1.504 4.519 8.354 1.00 0.00 C flip ATOM 322 CE1 HIS A 550 -1.102 5.229 10.370 1.00 0.00 C flip ATOM 323 NE2 HIS A 550 -1.638 5.561 9.161 1.00 0.00 N flip ATOM 0 H HIS A 550 -0.025 0.219 6.426 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.776 2.592 6.765 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -1.150 1.396 8.936 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.490 1.927 8.620 1.00 0.00 H new ATOM 0 HD1 HIS A 550 -0.187 3.478 11.066 1.00 0.00 H new ATOM 0 HD2 HIS A 550 -1.831 4.470 7.326 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -1.060 5.872 11.237 1.00 0.00 H new ATOM 331 N TYR A 551 -0.221 3.827 5.373 1.00 0.00 N ATOM 332 CA TYR A 551 0.673 4.612 4.539 1.00 0.00 C ATOM 333 C TYR A 551 0.537 6.106 4.843 1.00 0.00 C ATOM 334 O TYR A 551 -0.464 6.538 5.413 1.00 0.00 O ATOM 335 CB TYR A 551 0.237 4.356 3.096 1.00 0.00 C ATOM 336 CG TYR A 551 -1.222 3.918 2.955 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.236 4.846 3.081 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.525 2.595 2.702 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.610 4.434 2.948 1.00 0.00 C ATOM 340 CE2 TYR A 551 -2.899 2.184 2.570 1.00 0.00 C ATOM 341 CZ TYR A 551 -3.873 3.123 2.700 1.00 0.00 C ATOM 342 OH TYR A 551 -5.170 2.735 2.575 1.00 0.00 O ATOM 0 H TYR A 551 -1.199 4.116 5.340 1.00 0.00 H new ATOM 0 HA TYR A 551 1.711 4.331 4.718 1.00 0.00 H new ATOM 0 HB2 TYR A 551 0.391 5.265 2.514 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.879 3.589 2.664 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -1.999 5.881 3.279 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -0.732 1.869 2.603 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.413 5.150 3.043 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -3.150 1.152 2.372 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.206 1.831 2.198 1.00 0.00 H new ATOM 352 N ARG A 552 1.558 6.853 4.449 1.00 0.00 N ATOM 353 CA ARG A 552 1.564 8.288 4.672 1.00 0.00 C ATOM 354 C ARG A 552 2.180 9.009 3.471 1.00 0.00 C ATOM 355 O ARG A 552 3.015 8.446 2.765 1.00 0.00 O ATOM 356 CB ARG A 552 2.354 8.646 5.932 1.00 0.00 C ATOM 357 CG ARG A 552 3.440 9.679 5.624 1.00 0.00 C ATOM 358 CD ARG A 552 4.195 10.076 6.894 1.00 0.00 C ATOM 359 NE ARG A 552 5.578 9.551 6.847 1.00 0.00 N ATOM 360 CZ ARG A 552 6.530 9.843 7.758 1.00 0.00 C ATOM 361 NH1 ARG A 552 6.257 10.661 8.797 1.00 0.00 N ATOM 362 NH2 ARG A 552 7.733 9.318 7.617 1.00 0.00 N ATOM 0 H ARG A 552 2.387 6.491 3.977 1.00 0.00 H new ATOM 0 HA ARG A 552 0.530 8.608 4.802 1.00 0.00 H new ATOM 0 HB2 ARG A 552 1.677 9.040 6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 552 2.810 7.747 6.347 1.00 0.00 H new ATOM 0 HG2 ARG A 552 4.139 9.271 4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 552 2.989 10.563 5.174 1.00 0.00 H new ATOM 0 HD2 ARG A 552 4.213 11.161 6.992 1.00 0.00 H new ATOM 0 HD3 ARG A 552 3.679 9.685 7.771 1.00 0.00 H new ATOM 0 HE ARG A 552 5.827 8.929 6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 552 5.325 11.064 8.898 1.00 0.00 H new ATOM 0 HH12 ARG A 552 6.982 10.876 9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 552 7.931 8.702 6.829 1.00 0.00 H new ATOM 0 HH22 ARG A 552 8.464 9.528 8.296 1.00 0.00 H new ATOM 375 N PRO A 553 1.732 10.278 3.270 1.00 0.00 N ATOM 376 CA PRO A 553 2.230 11.081 2.167 1.00 0.00 C ATOM 377 C PRO A 553 3.644 11.589 2.453 1.00 0.00 C ATOM 378 O PRO A 553 4.023 11.762 3.611 1.00 0.00 O ATOM 379 CB PRO A 553 1.217 12.203 2.009 1.00 0.00 C ATOM 380 CG PRO A 553 0.444 12.254 3.317 1.00 0.00 C ATOM 381 CD PRO A 553 0.743 10.977 4.085 1.00 0.00 C ATOM 0 HA PRO A 553 2.323 10.513 1.242 1.00 0.00 H new ATOM 0 HB2 PRO A 553 1.714 13.153 1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 553 0.550 12.012 1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 553 0.737 13.127 3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -0.625 12.343 3.125 1.00 0.00 H new ATOM 0 HD2 PRO A 553 1.132 11.195 5.080 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -0.156 10.376 4.219 1.00 0.00 H new ATOM 389 N ALA A 554 4.387 11.814 1.379 1.00 0.00 N ATOM 390 CA ALA A 554 5.751 12.298 1.500 1.00 0.00 C ATOM 391 C ALA A 554 5.873 13.157 2.761 1.00 0.00 C ATOM 392 O ALA A 554 6.470 12.734 3.749 1.00 0.00 O ATOM 393 CB ALA A 554 6.135 13.065 0.233 1.00 0.00 C ATOM 0 H ALA A 554 4.069 11.670 0.421 1.00 0.00 H new ATOM 0 HA ALA A 554 6.446 11.465 1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 554 7.159 13.428 0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 554 6.060 12.403 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 554 5.460 13.911 0.101 1.00 0.00 H new ATOM 399 N GLY A 555 5.297 14.348 2.685 1.00 0.00 N ATOM 400 CA GLY A 555 5.334 15.270 3.807 1.00 0.00 C ATOM 401 C GLY A 555 3.924 15.731 4.184 1.00 0.00 C ATOM 402 O GLY A 555 3.459 16.767 3.712 1.00 0.00 O ATOM 0 H GLY A 555 4.802 14.695 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 555 5.804 14.787 4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 555 5.947 16.134 3.552 1.00 0.00 H new ATOM 406 N GLY A 556 3.283 14.939 5.031 1.00 0.00 N ATOM 407 CA GLY A 556 1.936 15.253 5.476 1.00 0.00 C ATOM 408 C GLY A 556 1.706 14.769 6.910 1.00 0.00 C ATOM 409 O GLY A 556 1.979 15.495 7.864 1.00 0.00 O ATOM 0 H GLY A 556 3.672 14.080 5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 556 1.772 16.329 5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 556 1.211 14.786 4.810 1.00 0.00 H new ATOM 413 N SER A 557 1.207 13.547 7.015 1.00 0.00 N ATOM 414 CA SER A 557 0.937 12.958 8.315 1.00 0.00 C ATOM 415 C SER A 557 0.640 11.465 8.162 1.00 0.00 C ATOM 416 O SER A 557 0.652 10.936 7.052 1.00 0.00 O ATOM 417 CB SER A 557 -0.232 13.662 9.007 1.00 0.00 C ATOM 418 OG SER A 557 -0.565 13.050 10.250 1.00 0.00 O ATOM 0 H SER A 557 0.982 12.948 6.221 1.00 0.00 H new ATOM 0 HA SER A 557 1.823 13.084 8.937 1.00 0.00 H new ATOM 0 HB2 SER A 557 0.023 14.708 9.175 1.00 0.00 H new ATOM 0 HB3 SER A 557 -1.103 13.648 8.351 1.00 0.00 H new ATOM 0 HG SER A 557 -1.344 12.468 10.130 1.00 0.00 H new ATOM 424 N TRP A 558 0.382 10.826 9.294 1.00 0.00 N ATOM 425 CA TRP A 558 0.084 9.404 9.300 1.00 0.00 C ATOM 426 C TRP A 558 -1.418 9.237 9.543 1.00 0.00 C ATOM 427 O TRP A 558 -1.914 9.551 10.624 1.00 0.00 O ATOM 428 CB TRP A 558 0.942 8.668 10.331 1.00 0.00 C ATOM 429 CG TRP A 558 2.313 8.238 9.807 1.00 0.00 C ATOM 430 CD1 TRP A 558 3.493 8.847 9.987 1.00 0.00 C ATOM 431 CD2 TRP A 558 2.600 7.074 9.004 1.00 0.00 C ATOM 432 NE1 TRP A 558 4.516 8.163 9.362 1.00 0.00 N ATOM 433 CE2 TRP A 558 3.955 7.050 8.745 1.00 0.00 C ATOM 434 CE3 TRP A 558 1.743 6.073 8.513 1.00 0.00 C ATOM 435 CZ2 TRP A 558 4.574 6.049 7.987 1.00 0.00 C ATOM 436 CZ3 TRP A 558 2.377 5.080 7.757 1.00 0.00 C ATOM 437 CH2 TRP A 558 3.740 5.042 7.487 1.00 0.00 C ATOM 0 H TRP A 558 0.373 11.267 10.214 1.00 0.00 H new ATOM 0 HA TRP A 558 0.334 8.953 8.339 1.00 0.00 H new ATOM 0 HB2 TRP A 558 1.082 9.313 11.199 1.00 0.00 H new ATOM 0 HB3 TRP A 558 0.402 7.785 10.674 1.00 0.00 H new ATOM 0 HD1 TRP A 558 3.627 9.759 10.550 1.00 0.00 H new ATOM 0 HE1 TRP A 558 5.502 8.425 9.354 1.00 0.00 H new ATOM 0 HE3 TRP A 558 0.680 6.071 8.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 5.637 6.053 7.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 1.764 4.287 7.355 1.00 0.00 H new ATOM 0 HH2 TRP A 558 4.154 4.239 6.894 1.00 0.00 H new ATOM 448 N THR A 559 -2.099 8.744 8.519 1.00 0.00 N ATOM 449 CA THR A 559 -3.534 8.531 8.608 1.00 0.00 C ATOM 450 C THR A 559 -3.889 7.834 9.923 1.00 0.00 C ATOM 451 O THR A 559 -3.004 7.421 10.670 1.00 0.00 O ATOM 452 CB THR A 559 -3.974 7.751 7.368 1.00 0.00 C ATOM 453 OG1 THR A 559 -3.565 8.573 6.278 1.00 0.00 O ATOM 454 CG2 THR A 559 -5.496 7.679 7.231 1.00 0.00 C ATOM 0 H THR A 559 -1.684 8.486 7.624 1.00 0.00 H new ATOM 0 HA THR A 559 -4.074 9.477 8.622 1.00 0.00 H new ATOM 0 HB THR A 559 -3.566 6.741 7.410 1.00 0.00 H new ATOM 0 HG1 THR A 559 -3.810 8.141 5.433 1.00 0.00 H new ATOM 0 HG21 THR A 559 -5.754 7.115 6.335 1.00 0.00 H new ATOM 0 HG22 THR A 559 -5.917 7.183 8.106 1.00 0.00 H new ATOM 0 HG23 THR A 559 -5.903 8.687 7.155 1.00 0.00 H new ATOM 462 N ALA A 560 -5.187 7.725 10.165 1.00 0.00 N ATOM 463 CA ALA A 560 -5.671 7.085 11.376 1.00 0.00 C ATOM 464 C ALA A 560 -5.288 5.603 11.353 1.00 0.00 C ATOM 465 O ALA A 560 -5.860 4.823 10.594 1.00 0.00 O ATOM 466 CB ALA A 560 -7.182 7.294 11.497 1.00 0.00 C ATOM 0 H ALA A 560 -5.918 8.069 9.543 1.00 0.00 H new ATOM 0 HA ALA A 560 -5.209 7.532 12.256 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -7.544 6.813 12.406 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -7.399 8.361 11.539 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -7.680 6.856 10.632 1.00 0.00 H new ATOM 472 N ALA A 561 -4.324 5.261 12.195 1.00 0.00 N ATOM 473 CA ALA A 561 -3.858 3.888 12.280 1.00 0.00 C ATOM 474 C ALA A 561 -4.930 3.031 12.957 1.00 0.00 C ATOM 475 O ALA A 561 -5.486 3.422 13.983 1.00 0.00 O ATOM 476 CB ALA A 561 -2.522 3.847 13.026 1.00 0.00 C ATOM 0 H ALA A 561 -3.853 5.911 12.824 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.688 3.478 11.284 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -2.172 2.817 13.090 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.787 4.447 12.489 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -2.654 4.248 14.031 1.00 0.00 H new ATOM 482 N PRO A 562 -5.195 1.849 12.340 1.00 0.00 N ATOM 483 CA PRO A 562 -4.492 1.462 11.129 1.00 0.00 C ATOM 484 C PRO A 562 -5.007 2.247 9.921 1.00 0.00 C ATOM 485 O PRO A 562 -6.188 2.587 9.855 1.00 0.00 O ATOM 486 CB PRO A 562 -4.718 -0.036 11.004 1.00 0.00 C ATOM 487 CG PRO A 562 -5.916 -0.352 11.884 1.00 0.00 C ATOM 488 CD PRO A 562 -6.168 0.852 12.777 1.00 0.00 C ATOM 0 HA PRO A 562 -3.427 1.688 11.171 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -4.909 -0.317 9.968 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -3.838 -0.592 11.328 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -6.793 -0.564 11.273 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -5.724 -1.240 12.486 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -7.188 1.220 12.667 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -6.032 0.600 13.829 1.00 0.00 H new ATOM 496 N GLY A 563 -4.097 2.513 8.996 1.00 0.00 N ATOM 497 CA GLY A 563 -4.444 3.252 7.794 1.00 0.00 C ATOM 498 C GLY A 563 -5.806 2.810 7.253 1.00 0.00 C ATOM 499 O GLY A 563 -6.845 3.248 7.745 1.00 0.00 O ATOM 0 H GLY A 563 -3.119 2.230 9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -4.464 4.320 8.012 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.679 3.097 7.034 1.00 0.00 H new ATOM 503 N VAL A 564 -5.756 1.948 6.248 1.00 0.00 N ATOM 504 CA VAL A 564 -6.972 1.442 5.636 1.00 0.00 C ATOM 505 C VAL A 564 -6.834 -0.065 5.407 1.00 0.00 C ATOM 506 O VAL A 564 -5.722 -0.586 5.338 1.00 0.00 O ATOM 507 CB VAL A 564 -7.272 2.217 4.350 1.00 0.00 C ATOM 508 CG1 VAL A 564 -8.774 2.235 4.059 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.710 3.638 4.423 1.00 0.00 C ATOM 0 H VAL A 564 -4.892 1.587 5.843 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.825 1.594 6.298 1.00 0.00 H new ATOM 0 HB VAL A 564 -6.777 1.703 3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -8.960 2.792 3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -9.134 1.213 3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.299 2.713 4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -6.937 4.167 3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -7.163 4.166 5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.630 3.595 4.561 1.00 0.00 H new ATOM 519 N LYS A 565 -7.980 -0.721 5.296 1.00 0.00 N ATOM 520 CA LYS A 565 -8.001 -2.157 5.077 1.00 0.00 C ATOM 521 C LYS A 565 -7.895 -2.442 3.577 1.00 0.00 C ATOM 522 O LYS A 565 -8.748 -2.015 2.800 1.00 0.00 O ATOM 523 CB LYS A 565 -9.232 -2.782 5.736 1.00 0.00 C ATOM 524 CG LYS A 565 -9.079 -4.299 5.858 1.00 0.00 C ATOM 525 CD LYS A 565 -9.835 -5.018 4.739 1.00 0.00 C ATOM 526 CE LYS A 565 -11.112 -5.671 5.273 1.00 0.00 C ATOM 527 NZ LYS A 565 -12.309 -5.000 4.716 1.00 0.00 N ATOM 0 H LYS A 565 -8.900 -0.285 5.354 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.140 -2.627 5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -9.380 -2.347 6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -10.121 -2.549 5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -8.023 -4.566 5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -9.455 -4.629 6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -10.087 -4.308 3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -9.194 -5.777 4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -11.125 -6.728 5.009 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -11.129 -5.614 6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -13.167 -5.455 5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -12.303 -3.997 4.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -12.299 -5.077 3.679 1.00 0.00 H new ATOM 540 N MET A 566 -6.842 -3.160 3.216 1.00 0.00 N ATOM 541 CA MET A 566 -6.615 -3.507 1.824 1.00 0.00 C ATOM 542 C MET A 566 -7.937 -3.609 1.061 1.00 0.00 C ATOM 543 O MET A 566 -8.786 -4.436 1.391 1.00 0.00 O ATOM 544 CB MET A 566 -5.874 -4.843 1.744 1.00 0.00 C ATOM 545 CG MET A 566 -4.394 -4.671 2.091 1.00 0.00 C ATOM 546 SD MET A 566 -3.379 -5.322 0.775 1.00 0.00 S ATOM 547 CE MET A 566 -3.224 -3.866 -0.246 1.00 0.00 C ATOM 0 H MET A 566 -6.136 -3.511 3.864 1.00 0.00 H new ATOM 0 HA MET A 566 -6.014 -2.721 1.367 1.00 0.00 H new ATOM 0 HB2 MET A 566 -6.331 -5.558 2.428 1.00 0.00 H new ATOM 0 HB3 MET A 566 -5.970 -5.257 0.740 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.169 -3.616 2.247 1.00 0.00 H new ATOM 0 HG3 MET A 566 -4.168 -5.187 3.024 1.00 0.00 H new ATOM 0 HE1 MET A 566 -3.803 -3.999 -1.160 1.00 0.00 H new ATOM 0 HE2 MET A 566 -3.598 -2.999 0.298 1.00 0.00 H new ATOM 0 HE3 MET A 566 -2.176 -3.710 -0.501 1.00 0.00 H new ATOM 557 N GLN A 567 -8.070 -2.758 0.054 1.00 0.00 N ATOM 558 CA GLN A 567 -9.275 -2.743 -0.758 1.00 0.00 C ATOM 559 C GLN A 567 -9.161 -3.760 -1.896 1.00 0.00 C ATOM 560 O GLN A 567 -8.428 -3.540 -2.859 1.00 0.00 O ATOM 561 CB GLN A 567 -9.551 -1.340 -1.303 1.00 0.00 C ATOM 562 CG GLN A 567 -10.905 -0.820 -0.816 1.00 0.00 C ATOM 563 CD GLN A 567 -11.962 -0.927 -1.917 1.00 0.00 C ATOM 564 OE1 GLN A 567 -11.701 -1.376 -3.022 1.00 0.00 O ATOM 565 NE2 GLN A 567 -13.165 -0.492 -1.556 1.00 0.00 N ATOM 0 H GLN A 567 -7.364 -2.074 -0.218 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.118 -3.025 -0.127 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -8.760 -0.660 -0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -9.535 -1.360 -2.393 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -11.225 -1.390 0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -10.807 0.219 -0.500 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -13.315 -0.128 -0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -13.939 -0.522 -2.220 1.00 0.00 H new ATOM 574 N ASP A 568 -9.896 -4.851 -1.747 1.00 0.00 N ATOM 575 CA ASP A 568 -9.887 -5.903 -2.749 1.00 0.00 C ATOM 576 C ASP A 568 -9.861 -5.272 -4.143 1.00 0.00 C ATOM 577 O ASP A 568 -10.479 -4.233 -4.370 1.00 0.00 O ATOM 578 CB ASP A 568 -11.142 -6.772 -2.648 1.00 0.00 C ATOM 579 CG ASP A 568 -12.295 -6.353 -3.561 1.00 0.00 C ATOM 580 OD1 ASP A 568 -12.855 -5.255 -3.421 1.00 0.00 O ATOM 581 OD2 ASP A 568 -12.621 -7.218 -4.461 1.00 0.00 O ATOM 0 H ASP A 568 -10.503 -5.030 -0.947 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.006 -6.522 -2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -10.872 -7.802 -2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -11.493 -6.759 -1.616 1.00 0.00 H new ATOM 587 N ALA A 569 -9.138 -5.927 -5.040 1.00 0.00 N ATOM 588 CA ALA A 569 -9.023 -5.444 -6.406 1.00 0.00 C ATOM 589 C ALA A 569 -10.138 -6.057 -7.255 1.00 0.00 C ATOM 590 O ALA A 569 -11.212 -6.371 -6.744 1.00 0.00 O ATOM 591 CB ALA A 569 -7.630 -5.770 -6.947 1.00 0.00 C ATOM 0 H ALA A 569 -8.626 -6.788 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.141 -4.361 -6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -7.544 -5.408 -7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -6.876 -5.286 -6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -7.476 -6.849 -6.929 1.00 0.00 H new ATOM 597 N GLU A 570 -9.844 -6.210 -8.538 1.00 0.00 N ATOM 598 CA GLU A 570 -10.808 -6.781 -9.463 1.00 0.00 C ATOM 599 C GLU A 570 -10.247 -8.056 -10.096 1.00 0.00 C ATOM 600 O GLU A 570 -10.891 -8.667 -10.947 1.00 0.00 O ATOM 601 CB GLU A 570 -11.206 -5.766 -10.537 1.00 0.00 C ATOM 602 CG GLU A 570 -10.067 -5.550 -11.535 1.00 0.00 C ATOM 603 CD GLU A 570 -10.462 -6.039 -12.930 1.00 0.00 C ATOM 604 OE1 GLU A 570 -11.371 -5.471 -13.553 1.00 0.00 O ATOM 605 OE2 GLU A 570 -9.785 -7.048 -13.365 1.00 0.00 O ATOM 0 H GLU A 570 -8.952 -5.949 -8.958 1.00 0.00 H new ATOM 0 HA GLU A 570 -11.707 -7.041 -8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.094 -6.117 -11.063 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -11.468 -4.818 -10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -9.810 -4.492 -11.576 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -9.177 -6.081 -11.198 1.00 0.00 H new ATOM 613 N ILE A 571 -9.051 -8.419 -9.656 1.00 0.00 N ATOM 614 CA ILE A 571 -8.395 -9.610 -10.169 1.00 0.00 C ATOM 615 C ILE A 571 -8.997 -10.847 -9.498 1.00 0.00 C ATOM 616 O ILE A 571 -8.935 -11.947 -10.047 1.00 0.00 O ATOM 617 CB ILE A 571 -6.878 -9.499 -10.005 1.00 0.00 C ATOM 618 CG1 ILE A 571 -6.253 -8.750 -11.184 1.00 0.00 C ATOM 619 CG2 ILE A 571 -6.246 -10.877 -9.802 1.00 0.00 C ATOM 620 CD1 ILE A 571 -4.775 -8.454 -10.924 1.00 0.00 C ATOM 0 H ILE A 571 -8.519 -7.910 -8.950 1.00 0.00 H new ATOM 0 HA ILE A 571 -8.570 -9.710 -11.240 1.00 0.00 H new ATOM 0 HB ILE A 571 -6.673 -8.916 -9.107 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -6.354 -9.345 -12.092 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -6.790 -7.817 -11.353 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -5.167 -10.769 -9.688 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -6.661 -11.339 -8.906 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -6.459 -11.506 -10.667 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -4.355 -7.921 -11.777 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -4.679 -7.839 -10.029 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -4.236 -9.391 -10.780 1.00 0.00 H new ATOM 632 N SER A 572 -9.565 -10.626 -8.322 1.00 0.00 N ATOM 633 CA SER A 572 -10.177 -11.709 -7.571 1.00 0.00 C ATOM 634 C SER A 572 -9.134 -12.379 -6.675 1.00 0.00 C ATOM 635 O SER A 572 -8.255 -13.088 -7.163 1.00 0.00 O ATOM 636 CB SER A 572 -10.813 -12.738 -8.508 1.00 0.00 C ATOM 637 OG SER A 572 -11.881 -13.443 -7.881 1.00 0.00 O ATOM 0 H SER A 572 -9.614 -9.713 -7.870 1.00 0.00 H new ATOM 0 HA SER A 572 -10.966 -11.290 -6.947 1.00 0.00 H new ATOM 0 HB2 SER A 572 -11.185 -12.234 -9.400 1.00 0.00 H new ATOM 0 HB3 SER A 572 -10.054 -13.448 -8.836 1.00 0.00 H new ATOM 0 HG SER A 572 -12.262 -14.089 -8.512 1.00 0.00 H new ATOM 643 N GLY A 573 -9.266 -12.132 -5.380 1.00 0.00 N ATOM 644 CA GLY A 573 -8.345 -12.703 -4.412 1.00 0.00 C ATOM 645 C GLY A 573 -7.158 -11.769 -4.167 1.00 0.00 C ATOM 646 O GLY A 573 -6.282 -12.072 -3.358 1.00 0.00 O ATOM 0 H GLY A 573 -9.997 -11.544 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -8.867 -12.887 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -7.985 -13.667 -4.772 1.00 0.00 H new ATOM 650 N TYR A 574 -7.167 -10.653 -4.882 1.00 0.00 N ATOM 651 CA TYR A 574 -6.101 -9.674 -4.752 1.00 0.00 C ATOM 652 C TYR A 574 -6.597 -8.415 -4.038 1.00 0.00 C ATOM 653 O TYR A 574 -7.801 -8.174 -3.962 1.00 0.00 O ATOM 654 CB TYR A 574 -5.690 -9.307 -6.179 1.00 0.00 C ATOM 655 CG TYR A 574 -4.356 -9.915 -6.618 1.00 0.00 C ATOM 656 CD1 TYR A 574 -4.289 -11.244 -6.982 1.00 0.00 C ATOM 657 CD2 TYR A 574 -3.219 -9.133 -6.650 1.00 0.00 C ATOM 658 CE1 TYR A 574 -3.034 -11.816 -7.395 1.00 0.00 C ATOM 659 CE2 TYR A 574 -1.963 -9.704 -7.063 1.00 0.00 C ATOM 660 CZ TYR A 574 -1.933 -11.018 -7.415 1.00 0.00 C ATOM 661 OH TYR A 574 -0.747 -11.557 -7.805 1.00 0.00 O ATOM 0 H TYR A 574 -7.895 -10.405 -5.552 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.274 -10.082 -4.170 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -6.470 -9.634 -6.866 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -5.627 -8.222 -6.260 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -5.179 -11.856 -6.957 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -3.271 -8.093 -6.365 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -2.968 -12.855 -7.682 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -1.066 -9.103 -7.093 1.00 0.00 H new ATOM 0 HH TYR A 574 -0.049 -10.870 -7.771 1.00 0.00 H new ATOM 671 N ALA A 575 -5.645 -7.646 -3.532 1.00 0.00 N ATOM 672 CA ALA A 575 -5.970 -6.418 -2.826 1.00 0.00 C ATOM 673 C ALA A 575 -5.426 -5.224 -3.613 1.00 0.00 C ATOM 674 O ALA A 575 -4.485 -5.366 -4.392 1.00 0.00 O ATOM 675 CB ALA A 575 -5.410 -6.483 -1.404 1.00 0.00 C ATOM 0 H ALA A 575 -4.648 -7.849 -3.597 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.050 -6.296 -2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -5.654 -5.562 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -5.849 -7.331 -0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -4.327 -6.603 -1.444 1.00 0.00 H new ATOM 681 N LYS A 576 -6.042 -4.074 -3.381 1.00 0.00 N ATOM 682 CA LYS A 576 -5.631 -2.855 -4.058 1.00 0.00 C ATOM 683 C LYS A 576 -6.003 -1.648 -3.196 1.00 0.00 C ATOM 684 O LYS A 576 -7.124 -1.558 -2.697 1.00 0.00 O ATOM 685 CB LYS A 576 -6.215 -2.805 -5.472 1.00 0.00 C ATOM 686 CG LYS A 576 -7.656 -2.290 -5.452 1.00 0.00 C ATOM 687 CD LYS A 576 -8.145 -1.974 -6.866 1.00 0.00 C ATOM 688 CE LYS A 576 -8.333 -0.468 -7.058 1.00 0.00 C ATOM 689 NZ LYS A 576 -9.581 -0.192 -7.804 1.00 0.00 N ATOM 0 H LYS A 576 -6.822 -3.960 -2.734 1.00 0.00 H new ATOM 0 HA LYS A 576 -4.548 -2.835 -4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -5.602 -2.158 -6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.187 -3.800 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.307 -3.037 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -7.717 -1.395 -4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -7.428 -2.350 -7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.088 -2.488 -7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -8.366 0.027 -6.087 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -7.481 -0.055 -7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -9.693 0.835 -7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -9.536 -0.648 -8.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -10.393 -0.568 -7.274 1.00 0.00 H new ATOM 702 N ILE A 577 -5.041 -0.749 -3.046 1.00 0.00 N ATOM 703 CA ILE A 577 -5.253 0.450 -2.253 1.00 0.00 C ATOM 704 C ILE A 577 -4.807 1.673 -3.055 1.00 0.00 C ATOM 705 O ILE A 577 -3.863 1.595 -3.840 1.00 0.00 O ATOM 706 CB ILE A 577 -4.564 0.321 -0.893 1.00 0.00 C ATOM 707 CG1 ILE A 577 -3.345 1.242 -0.807 1.00 0.00 C ATOM 708 CG2 ILE A 577 -4.204 -1.136 -0.596 1.00 0.00 C ATOM 709 CD1 ILE A 577 -2.345 0.933 -1.923 1.00 0.00 C ATOM 0 H ILE A 577 -4.112 -0.827 -3.461 1.00 0.00 H new ATOM 0 HA ILE A 577 -6.313 0.581 -2.036 1.00 0.00 H new ATOM 0 HB ILE A 577 -5.265 0.642 -0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -3.665 2.282 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -2.862 1.122 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -3.716 -1.199 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -5.111 -1.740 -0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -3.528 -1.508 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -1.488 1.601 -1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -2.009 -0.100 -1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -2.824 1.077 -2.891 1.00 0.00 H new ATOM 721 N THR A 578 -5.507 2.776 -2.832 1.00 0.00 N ATOM 722 CA THR A 578 -5.194 4.014 -3.524 1.00 0.00 C ATOM 723 C THR A 578 -5.004 5.153 -2.521 1.00 0.00 C ATOM 724 O THR A 578 -5.815 5.327 -1.612 1.00 0.00 O ATOM 725 CB THR A 578 -6.306 4.280 -4.542 1.00 0.00 C ATOM 726 OG1 THR A 578 -6.539 3.009 -5.142 1.00 0.00 O ATOM 727 CG2 THR A 578 -5.838 5.160 -5.703 1.00 0.00 C ATOM 0 H THR A 578 -6.290 2.838 -2.181 1.00 0.00 H new ATOM 0 HA THR A 578 -4.250 3.938 -4.063 1.00 0.00 H new ATOM 0 HB THR A 578 -7.149 4.756 -4.042 1.00 0.00 H new ATOM 0 HG1 THR A 578 -7.247 3.090 -5.814 1.00 0.00 H new ATOM 0 HG21 THR A 578 -6.664 5.318 -6.396 1.00 0.00 H new ATOM 0 HG22 THR A 578 -5.499 6.121 -5.317 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.017 4.668 -6.224 1.00 0.00 H new ATOM 735 N VAL A 579 -3.927 5.900 -2.719 1.00 0.00 N ATOM 736 CA VAL A 579 -3.620 7.017 -1.842 1.00 0.00 C ATOM 737 C VAL A 579 -3.343 8.261 -2.688 1.00 0.00 C ATOM 738 O VAL A 579 -2.562 8.210 -3.637 1.00 0.00 O ATOM 739 CB VAL A 579 -2.458 6.652 -0.916 1.00 0.00 C ATOM 740 CG1 VAL A 579 -2.179 7.776 0.083 1.00 0.00 C ATOM 741 CG2 VAL A 579 -2.727 5.330 -0.195 1.00 0.00 C ATOM 0 H VAL A 579 -3.257 5.753 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 579 -4.470 7.243 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 579 -1.567 6.523 -1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -1.349 7.491 0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -1.922 8.687 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -3.067 7.952 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -1.886 5.093 0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -3.635 5.419 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -2.852 4.534 -0.929 1.00 0.00 H new ATOM 751 N ASP A 580 -3.997 9.351 -2.313 1.00 0.00 N ATOM 752 CA ASP A 580 -3.831 10.606 -3.025 1.00 0.00 C ATOM 753 C ASP A 580 -2.533 11.277 -2.570 1.00 0.00 C ATOM 754 O ASP A 580 -2.105 11.101 -1.431 1.00 0.00 O ATOM 755 CB ASP A 580 -4.987 11.564 -2.730 1.00 0.00 C ATOM 756 CG ASP A 580 -4.793 12.991 -3.248 1.00 0.00 C ATOM 757 OD1 ASP A 580 -5.405 13.396 -4.248 1.00 0.00 O ATOM 758 OD2 ASP A 580 -3.961 13.708 -2.572 1.00 0.00 O ATOM 0 H ASP A 580 -4.643 9.390 -1.525 1.00 0.00 H new ATOM 0 HA ASP A 580 -3.807 10.388 -4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -5.898 11.156 -3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -5.141 11.603 -1.652 1.00 0.00 H new ATOM 764 N ILE A 581 -1.943 12.033 -3.485 1.00 0.00 N ATOM 765 CA ILE A 581 -0.703 12.732 -3.192 1.00 0.00 C ATOM 766 C ILE A 581 -0.606 13.980 -4.071 1.00 0.00 C ATOM 767 O ILE A 581 0.423 14.222 -4.699 1.00 0.00 O ATOM 768 CB ILE A 581 0.491 11.785 -3.332 1.00 0.00 C ATOM 769 CG1 ILE A 581 0.658 11.326 -4.782 1.00 0.00 C ATOM 770 CG2 ILE A 581 0.371 10.604 -2.367 1.00 0.00 C ATOM 771 CD1 ILE A 581 2.003 10.624 -4.983 1.00 0.00 C ATOM 0 H ILE A 581 -2.301 12.177 -4.429 1.00 0.00 H new ATOM 0 HA ILE A 581 -0.692 13.071 -2.156 1.00 0.00 H new ATOM 0 HB ILE A 581 1.394 12.331 -3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -0.153 10.649 -5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 581 0.589 12.185 -5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 581 1.232 9.947 -2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 581 0.337 10.974 -1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -0.542 10.049 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 581 2.097 10.308 -6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 581 2.813 11.312 -4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 581 2.059 9.752 -4.332 1.00 0.00 H new ATOM 783 N GLY A 582 -1.692 14.739 -4.088 1.00 0.00 N ATOM 784 CA GLY A 582 -1.742 15.956 -4.880 1.00 0.00 C ATOM 785 C GLY A 582 -0.560 16.871 -4.554 1.00 0.00 C ATOM 786 O GLY A 582 -0.157 17.689 -5.380 1.00 0.00 O ATOM 0 H GLY A 582 -2.544 14.535 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -1.730 15.705 -5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -2.677 16.481 -4.687 1.00 0.00 H new ATOM 790 N SER A 583 -0.038 16.703 -3.348 1.00 0.00 N ATOM 791 CA SER A 583 1.090 17.504 -2.902 1.00 0.00 C ATOM 792 C SER A 583 2.203 16.595 -2.379 1.00 0.00 C ATOM 793 O SER A 583 2.791 16.866 -1.332 1.00 0.00 O ATOM 794 CB SER A 583 0.665 18.500 -1.821 1.00 0.00 C ATOM 795 OG SER A 583 0.330 19.772 -2.369 1.00 0.00 O ATOM 0 H SER A 583 -0.375 16.024 -2.666 1.00 0.00 H new ATOM 0 HA SER A 583 1.464 18.072 -3.754 1.00 0.00 H new ATOM 0 HB2 SER A 583 -0.192 18.102 -1.278 1.00 0.00 H new ATOM 0 HB3 SER A 583 1.473 18.618 -1.099 1.00 0.00 H new ATOM 0 HG SER A 583 0.062 20.379 -1.647 1.00 0.00 H new ATOM 801 N ALA A 584 2.460 15.534 -3.130 1.00 0.00 N ATOM 802 CA ALA A 584 3.492 14.583 -2.754 1.00 0.00 C ATOM 803 C ALA A 584 3.918 13.785 -3.988 1.00 0.00 C ATOM 804 O ALA A 584 3.086 13.437 -4.825 1.00 0.00 O ATOM 805 CB ALA A 584 2.974 13.685 -1.629 1.00 0.00 C ATOM 0 H ALA A 584 1.971 15.312 -3.997 1.00 0.00 H new ATOM 0 HA ALA A 584 4.373 15.102 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 584 3.748 12.972 -1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.713 14.297 -0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 584 2.091 13.145 -1.971 1.00 0.00 H new ATOM 811 N SER A 585 5.214 13.518 -4.063 1.00 0.00 N ATOM 812 CA SER A 585 5.760 12.767 -5.181 1.00 0.00 C ATOM 813 C SER A 585 6.159 11.363 -4.723 1.00 0.00 C ATOM 814 O SER A 585 6.556 10.530 -5.537 1.00 0.00 O ATOM 815 CB SER A 585 6.963 13.488 -5.793 1.00 0.00 C ATOM 816 OG SER A 585 6.756 13.799 -7.168 1.00 0.00 O ATOM 0 H SER A 585 5.902 13.808 -3.368 1.00 0.00 H new ATOM 0 HA SER A 585 4.990 12.687 -5.948 1.00 0.00 H new ATOM 0 HB2 SER A 585 7.156 14.406 -5.239 1.00 0.00 H new ATOM 0 HB3 SER A 585 7.850 12.863 -5.692 1.00 0.00 H new ATOM 0 HG SER A 585 7.545 14.260 -7.522 1.00 0.00 H new ATOM 822 N GLN A 586 6.039 11.143 -3.422 1.00 0.00 N ATOM 823 CA GLN A 586 6.383 9.854 -2.846 1.00 0.00 C ATOM 824 C GLN A 586 5.414 9.502 -1.715 1.00 0.00 C ATOM 825 O GLN A 586 5.053 10.362 -0.913 1.00 0.00 O ATOM 826 CB GLN A 586 7.830 9.842 -2.351 1.00 0.00 C ATOM 827 CG GLN A 586 8.790 9.442 -3.473 1.00 0.00 C ATOM 828 CD GLN A 586 10.241 9.469 -2.989 1.00 0.00 C ATOM 829 OE1 GLN A 586 10.697 10.413 -2.365 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.939 8.383 -3.310 1.00 0.00 N ATOM 0 H GLN A 586 5.708 11.836 -2.750 1.00 0.00 H new ATOM 0 HA GLN A 586 6.294 9.096 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 586 8.097 10.829 -1.974 1.00 0.00 H new ATOM 0 HB3 GLN A 586 7.928 9.145 -1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 586 8.541 8.443 -3.831 1.00 0.00 H new ATOM 0 HG3 GLN A 586 8.672 10.121 -4.317 1.00 0.00 H new ATOM 0 HE21 GLN A 586 10.496 7.628 -3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.917 8.305 -3.032 1.00 0.00 H new ATOM 839 N LEU A 587 5.019 8.238 -1.689 1.00 0.00 N ATOM 840 CA LEU A 587 4.099 7.762 -0.670 1.00 0.00 C ATOM 841 C LEU A 587 4.676 6.506 -0.013 1.00 0.00 C ATOM 842 O LEU A 587 5.309 5.689 -0.680 1.00 0.00 O ATOM 843 CB LEU A 587 2.703 7.561 -1.261 1.00 0.00 C ATOM 844 CG LEU A 587 1.768 6.639 -0.475 1.00 0.00 C ATOM 845 CD1 LEU A 587 2.309 5.208 -0.444 1.00 0.00 C ATOM 846 CD2 LEU A 587 1.513 7.186 0.931 1.00 0.00 C ATOM 0 H LEU A 587 5.319 7.528 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 587 3.983 8.508 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 587 2.225 8.536 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.811 7.162 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 587 0.807 6.609 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 587 1.626 4.573 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 587 2.397 4.830 -1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 587 3.289 5.200 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 587 0.846 6.512 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 587 2.458 7.265 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 587 1.053 8.172 0.860 1.00 0.00 H new ATOM 858 N GLU A 588 4.438 6.393 1.285 1.00 0.00 N ATOM 859 CA GLU A 588 4.926 5.250 2.038 1.00 0.00 C ATOM 860 C GLU A 588 3.753 4.442 2.597 1.00 0.00 C ATOM 861 O GLU A 588 2.736 5.010 2.993 1.00 0.00 O ATOM 862 CB GLU A 588 5.868 5.695 3.159 1.00 0.00 C ATOM 863 CG GLU A 588 5.334 6.946 3.860 1.00 0.00 C ATOM 864 CD GLU A 588 5.913 8.215 3.232 1.00 0.00 C ATOM 865 OE1 GLU A 588 6.877 8.786 3.764 1.00 0.00 O ATOM 866 OE2 GLU A 588 5.327 8.605 2.151 1.00 0.00 O ATOM 0 H GLU A 588 3.914 7.074 1.835 1.00 0.00 H new ATOM 0 HA GLU A 588 5.493 4.610 1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 588 5.983 4.889 3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 588 6.857 5.898 2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 588 4.246 6.967 3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 588 5.589 6.911 4.919 1.00 0.00 H new ATOM 874 N ALA A 589 3.933 3.129 2.609 1.00 0.00 N ATOM 875 CA ALA A 589 2.902 2.237 3.112 1.00 0.00 C ATOM 876 C ALA A 589 3.554 1.120 3.929 1.00 0.00 C ATOM 877 O ALA A 589 4.692 0.736 3.664 1.00 0.00 O ATOM 878 CB ALA A 589 2.077 1.699 1.942 1.00 0.00 C ATOM 0 H ALA A 589 4.777 2.662 2.278 1.00 0.00 H new ATOM 0 HA ALA A 589 2.220 2.773 3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.304 1.030 2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 589 1.611 2.530 1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 589 2.728 1.153 1.259 1.00 0.00 H new ATOM 884 N ALA A 590 2.805 0.630 4.906 1.00 0.00 N ATOM 885 CA ALA A 590 3.297 -0.436 5.762 1.00 0.00 C ATOM 886 C ALA A 590 2.227 -1.523 5.881 1.00 0.00 C ATOM 887 O ALA A 590 1.056 -1.281 5.591 1.00 0.00 O ATOM 888 CB ALA A 590 3.693 0.144 7.122 1.00 0.00 C ATOM 0 H ALA A 590 1.862 0.951 5.124 1.00 0.00 H new ATOM 0 HA ALA A 590 4.187 -0.895 5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 590 4.062 -0.655 7.765 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.475 0.890 6.985 1.00 0.00 H new ATOM 0 HB3 ALA A 590 2.824 0.610 7.586 1.00 0.00 H new ATOM 894 N PHE A 591 2.667 -2.698 6.309 1.00 0.00 N ATOM 895 CA PHE A 591 1.762 -3.823 6.469 1.00 0.00 C ATOM 896 C PHE A 591 1.659 -4.238 7.938 1.00 0.00 C ATOM 897 O PHE A 591 2.657 -4.239 8.658 1.00 0.00 O ATOM 898 CB PHE A 591 2.344 -4.984 5.662 1.00 0.00 C ATOM 899 CG PHE A 591 2.275 -4.786 4.147 1.00 0.00 C ATOM 900 CD1 PHE A 591 1.129 -5.075 3.475 1.00 0.00 C ATOM 901 CD2 PHE A 591 3.360 -4.320 3.472 1.00 0.00 C ATOM 902 CE1 PHE A 591 1.064 -4.891 2.068 1.00 0.00 C ATOM 903 CE2 PHE A 591 3.296 -4.136 2.065 1.00 0.00 C ATOM 904 CZ PHE A 591 2.149 -4.425 1.393 1.00 0.00 C ATOM 0 H PHE A 591 3.638 -2.895 6.550 1.00 0.00 H new ATOM 0 HA PHE A 591 0.764 -3.550 6.126 1.00 0.00 H new ATOM 0 HB2 PHE A 591 3.385 -5.129 5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 591 1.810 -5.898 5.923 1.00 0.00 H new ATOM 0 HD1 PHE A 591 0.268 -5.445 4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 591 4.270 -4.090 4.006 1.00 0.00 H new ATOM 0 HE1 PHE A 591 0.154 -5.121 1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 591 4.158 -3.767 1.529 1.00 0.00 H new ATOM 0 HZ PHE A 591 2.100 -4.284 0.323 1.00 0.00 H new ATOM 914 N ASN A 592 0.444 -4.582 8.339 1.00 0.00 N ATOM 915 CA ASN A 592 0.198 -4.999 9.709 1.00 0.00 C ATOM 916 C ASN A 592 -1.099 -5.808 9.767 1.00 0.00 C ATOM 917 O ASN A 592 -2.103 -5.420 9.171 1.00 0.00 O ATOM 918 CB ASN A 592 0.043 -3.790 10.634 1.00 0.00 C ATOM 919 CG ASN A 592 -1.162 -2.940 10.227 1.00 0.00 C ATOM 920 OD1 ASN A 592 -2.296 -3.216 10.582 1.00 0.00 O ATOM 921 ND2 ASN A 592 -0.854 -1.894 9.466 1.00 0.00 N ATOM 0 H ASN A 592 -0.381 -4.580 7.739 1.00 0.00 H new ATOM 0 HA ASN A 592 1.048 -5.597 10.037 1.00 0.00 H new ATOM 0 HB2 ASN A 592 -0.077 -4.128 11.663 1.00 0.00 H new ATOM 0 HB3 ASN A 592 0.948 -3.184 10.601 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -1.589 -1.265 9.143 1.00 0.00 H new ATOM 0 HD22 ASN A 592 0.117 -1.721 9.205 1.00 0.00 H new ATOM 928 N ASP A 593 -1.037 -6.916 10.490 1.00 0.00 N ATOM 929 CA ASP A 593 -2.195 -7.783 10.633 1.00 0.00 C ATOM 930 C ASP A 593 -3.111 -7.226 11.724 1.00 0.00 C ATOM 931 O ASP A 593 -4.261 -7.644 11.847 1.00 0.00 O ATOM 932 CB ASP A 593 -1.777 -9.196 11.043 1.00 0.00 C ATOM 933 CG ASP A 593 -2.869 -10.020 11.729 1.00 0.00 C ATOM 934 OD1 ASP A 593 -3.826 -10.475 11.084 1.00 0.00 O ATOM 935 OD2 ASP A 593 -2.707 -10.190 12.997 1.00 0.00 O ATOM 0 H ASP A 593 -0.203 -7.234 10.983 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.708 -7.823 9.672 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -1.442 -9.732 10.155 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -0.921 -9.125 11.714 1.00 0.00 H new ATOM 941 N GLY A 594 -2.567 -6.290 12.489 1.00 0.00 N ATOM 942 CA GLY A 594 -3.322 -5.672 13.565 1.00 0.00 C ATOM 943 C GLY A 594 -3.088 -6.402 14.889 1.00 0.00 C ATOM 944 O GLY A 594 -3.853 -6.236 15.838 1.00 0.00 O ATOM 0 H GLY A 594 -1.613 -5.945 12.385 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -3.030 -4.627 13.665 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -4.384 -5.684 13.322 1.00 0.00 H new ATOM 948 N ASN A 595 -2.027 -7.196 14.911 1.00 0.00 N ATOM 949 CA ASN A 595 -1.683 -7.952 16.102 1.00 0.00 C ATOM 950 C ASN A 595 -0.182 -7.823 16.367 1.00 0.00 C ATOM 951 O ASN A 595 0.550 -8.811 16.312 1.00 0.00 O ATOM 952 CB ASN A 595 -2.005 -9.438 15.924 1.00 0.00 C ATOM 953 CG ASN A 595 -3.494 -9.706 16.150 1.00 0.00 C ATOM 954 OD1 ASN A 595 -4.349 -9.297 15.381 1.00 0.00 O ATOM 955 ND2 ASN A 595 -3.756 -10.416 17.244 1.00 0.00 N ATOM 0 H ASN A 595 -1.395 -7.332 14.122 1.00 0.00 H new ATOM 0 HA ASN A 595 -2.265 -7.554 16.933 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -1.722 -9.758 14.921 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -1.415 -10.028 16.625 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -4.720 -10.649 17.482 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -2.993 -10.727 17.845 1.00 0.00 H new ATOM 962 N ASN A 596 0.233 -6.597 16.650 1.00 0.00 N ATOM 963 CA ASN A 596 1.634 -6.325 16.923 1.00 0.00 C ATOM 964 C ASN A 596 2.501 -7.058 15.897 1.00 0.00 C ATOM 965 O ASN A 596 3.637 -7.427 16.190 1.00 0.00 O ATOM 966 CB ASN A 596 2.030 -6.821 18.316 1.00 0.00 C ATOM 967 CG ASN A 596 2.982 -5.837 18.998 1.00 0.00 C ATOM 968 OD1 ASN A 596 4.158 -6.103 19.189 1.00 0.00 O ATOM 969 ND2 ASN A 596 2.412 -4.690 19.354 1.00 0.00 N ATOM 0 H ASN A 596 -0.377 -5.781 16.696 1.00 0.00 H new ATOM 0 HA ASN A 596 1.785 -5.247 16.867 1.00 0.00 H new ATOM 0 HB2 ASN A 596 1.137 -6.951 18.927 1.00 0.00 H new ATOM 0 HB3 ASN A 596 2.507 -7.798 18.236 1.00 0.00 H new ATOM 0 HD21 ASN A 596 2.964 -3.968 19.817 1.00 0.00 H new ATOM 0 HD22 ASN A 596 1.422 -4.532 19.164 1.00 0.00 H new ATOM 976 N ASN A 597 1.932 -7.245 14.715 1.00 0.00 N ATOM 977 CA ASN A 597 2.639 -7.926 13.644 1.00 0.00 C ATOM 978 C ASN A 597 2.776 -6.982 12.448 1.00 0.00 C ATOM 979 O ASN A 597 1.952 -7.008 11.535 1.00 0.00 O ATOM 980 CB ASN A 597 1.873 -9.167 13.181 1.00 0.00 C ATOM 981 CG ASN A 597 2.245 -10.388 14.026 1.00 0.00 C ATOM 982 OD1 ASN A 597 3.022 -11.265 13.396 1.00 0.00 O flip ATOM 983 ND2 ASN A 597 1.853 -10.523 15.173 1.00 0.00 N flip ATOM 0 H ASN A 597 0.990 -6.937 14.476 1.00 0.00 H new ATOM 0 HA ASN A 597 3.617 -8.225 14.022 1.00 0.00 H new ATOM 0 HB2 ASN A 597 0.801 -8.984 13.252 1.00 0.00 H new ATOM 0 HB3 ASN A 597 2.094 -9.365 12.132 1.00 0.00 H new ATOM 0 HD21 ASN A 597 1.258 -9.810 15.596 1.00 0.00 H new ATOM 0 HD22 ASN A 597 2.120 -11.349 15.709 1.00 0.00 H new ATOM 990 N TRP A 598 3.823 -6.171 12.492 1.00 0.00 N ATOM 991 CA TRP A 598 4.078 -5.220 11.423 1.00 0.00 C ATOM 992 C TRP A 598 5.179 -5.796 10.531 1.00 0.00 C ATOM 993 O TRP A 598 6.171 -6.329 11.028 1.00 0.00 O ATOM 994 CB TRP A 598 4.426 -3.841 11.987 1.00 0.00 C ATOM 995 CG TRP A 598 3.260 -3.146 12.693 1.00 0.00 C ATOM 996 CD1 TRP A 598 2.733 -3.431 13.892 1.00 0.00 C ATOM 997 CD2 TRP A 598 2.494 -2.030 12.192 1.00 0.00 C ATOM 998 NE1 TRP A 598 1.687 -2.584 14.198 1.00 0.00 N ATOM 999 CE2 TRP A 598 1.537 -1.705 13.132 1.00 0.00 C ATOM 1000 CE3 TRP A 598 2.605 -1.319 10.984 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 0.619 -0.662 12.962 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 1.680 -0.280 10.830 1.00 0.00 C ATOM 1003 CH2 TRP A 598 0.711 0.060 11.767 1.00 0.00 C ATOM 0 H TRP A 598 4.504 -6.153 13.251 1.00 0.00 H new ATOM 0 HA TRP A 598 3.183 -5.070 10.819 1.00 0.00 H new ATOM 0 HB2 TRP A 598 5.253 -3.945 12.690 1.00 0.00 H new ATOM 0 HB3 TRP A 598 4.776 -3.205 11.174 1.00 0.00 H new ATOM 0 HD1 TRP A 598 3.083 -4.223 14.537 1.00 0.00 H new ATOM 0 HE1 TRP A 598 1.127 -2.600 15.050 1.00 0.00 H new ATOM 0 HE3 TRP A 598 3.345 -1.556 10.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 -0.121 -0.427 13.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 1.722 0.298 9.919 1.00 0.00 H new ATOM 0 HH2 TRP A 598 0.032 0.878 11.573 1.00 0.00 H new ATOM 1014 N ASP A 599 4.969 -5.670 9.229 1.00 0.00 N ATOM 1015 CA ASP A 599 5.932 -6.172 8.263 1.00 0.00 C ATOM 1016 C ASP A 599 6.409 -5.018 7.379 1.00 0.00 C ATOM 1017 O ASP A 599 6.291 -5.078 6.157 1.00 0.00 O ATOM 1018 CB ASP A 599 5.302 -7.232 7.357 1.00 0.00 C ATOM 1019 CG ASP A 599 4.660 -8.411 8.091 1.00 0.00 C ATOM 1020 OD1 ASP A 599 3.454 -8.665 7.959 1.00 0.00 O ATOM 1021 OD2 ASP A 599 5.465 -9.094 8.833 1.00 0.00 O ATOM 0 H ASP A 599 4.146 -5.227 8.820 1.00 0.00 H new ATOM 0 HA ASP A 599 6.762 -6.615 8.813 1.00 0.00 H new ATOM 0 HB2 ASP A 599 4.544 -6.754 6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 599 6.069 -7.616 6.685 1.00 0.00 H new ATOM 1027 N SER A 600 6.939 -3.994 8.033 1.00 0.00 N ATOM 1028 CA SER A 600 7.435 -2.828 7.322 1.00 0.00 C ATOM 1029 C SER A 600 8.965 -2.811 7.349 1.00 0.00 C ATOM 1030 O SER A 600 9.581 -1.764 7.156 1.00 0.00 O ATOM 1031 CB SER A 600 6.879 -1.537 7.925 1.00 0.00 C ATOM 1032 OG SER A 600 7.305 -1.350 9.272 1.00 0.00 O ATOM 0 H SER A 600 7.036 -3.948 9.047 1.00 0.00 H new ATOM 0 HA SER A 600 7.097 -2.888 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 600 7.200 -0.688 7.322 1.00 0.00 H new ATOM 0 HB3 SER A 600 5.790 -1.560 7.889 1.00 0.00 H new ATOM 0 HG SER A 600 6.930 -0.514 9.621 1.00 0.00 H new ATOM 1038 N ASN A 601 9.534 -3.982 7.591 1.00 0.00 N ATOM 1039 CA ASN A 601 10.980 -4.114 7.646 1.00 0.00 C ATOM 1040 C ASN A 601 11.476 -3.676 9.026 1.00 0.00 C ATOM 1041 O ASN A 601 12.137 -4.443 9.724 1.00 0.00 O ATOM 1042 CB ASN A 601 11.655 -3.227 6.598 1.00 0.00 C ATOM 1043 CG ASN A 601 12.958 -3.857 6.103 1.00 0.00 C ATOM 1044 OD1 ASN A 601 13.212 -5.038 6.276 1.00 0.00 O ATOM 1045 ND2 ASN A 601 13.768 -3.006 5.480 1.00 0.00 N ATOM 0 H ASN A 601 9.020 -4.848 7.751 1.00 0.00 H new ATOM 0 HA ASN A 601 11.231 -5.157 7.451 1.00 0.00 H new ATOM 0 HB2 ASN A 601 10.979 -3.073 5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 601 11.861 -2.246 7.025 1.00 0.00 H new ATOM 0 HD21 ASN A 601 14.663 -3.330 5.113 1.00 0.00 H new ATOM 0 HD22 ASN A 601 13.494 -2.030 5.369 1.00 0.00 H new ATOM 1052 N ASN A 602 11.137 -2.445 9.378 1.00 0.00 N ATOM 1053 CA ASN A 602 11.540 -1.896 10.661 1.00 0.00 C ATOM 1054 C ASN A 602 10.765 -0.603 10.923 1.00 0.00 C ATOM 1055 O ASN A 602 9.892 -0.563 11.789 1.00 0.00 O ATOM 1056 CB ASN A 602 13.033 -1.563 10.674 1.00 0.00 C ATOM 1057 CG ASN A 602 13.718 -2.164 11.903 1.00 0.00 C ATOM 1058 OD1 ASN A 602 13.620 -1.660 13.009 1.00 0.00 O ATOM 1059 ND2 ASN A 602 14.416 -3.268 11.647 1.00 0.00 N ATOM 0 H ASN A 602 10.588 -1.812 8.797 1.00 0.00 H new ATOM 0 HA ASN A 602 11.331 -2.642 11.428 1.00 0.00 H new ATOM 0 HB2 ASN A 602 13.503 -1.946 9.768 1.00 0.00 H new ATOM 0 HB3 ASN A 602 13.168 -0.481 10.670 1.00 0.00 H new ATOM 0 HD21 ASN A 602 14.910 -3.745 12.401 1.00 0.00 H new ATOM 0 HD22 ASN A 602 14.456 -3.637 10.697 1.00 0.00 H new ATOM 1066 N THR A 603 11.112 0.423 10.160 1.00 0.00 N ATOM 1067 CA THR A 603 10.460 1.714 10.299 1.00 0.00 C ATOM 1068 C THR A 603 10.920 2.666 9.193 1.00 0.00 C ATOM 1069 O THR A 603 10.992 3.876 9.401 1.00 0.00 O ATOM 1070 CB THR A 603 10.743 2.238 11.708 1.00 0.00 C ATOM 1071 OG1 THR A 603 10.240 3.571 11.691 1.00 0.00 O ATOM 1072 CG2 THR A 603 12.240 2.408 11.979 1.00 0.00 C ATOM 0 H THR A 603 11.837 0.386 9.443 1.00 0.00 H new ATOM 0 HA THR A 603 9.380 1.626 10.180 1.00 0.00 H new ATOM 0 HB THR A 603 10.316 1.555 12.442 1.00 0.00 H new ATOM 0 HG1 THR A 603 10.813 4.130 11.126 1.00 0.00 H new ATOM 0 HG21 THR A 603 12.386 2.782 12.992 1.00 0.00 H new ATOM 0 HG22 THR A 603 12.741 1.446 11.872 1.00 0.00 H new ATOM 0 HG23 THR A 603 12.661 3.117 11.266 1.00 0.00 H new ATOM 1080 N LYS A 604 11.218 2.083 8.041 1.00 0.00 N ATOM 1081 CA LYS A 604 11.669 2.864 6.902 1.00 0.00 C ATOM 1082 C LYS A 604 10.674 2.700 5.751 1.00 0.00 C ATOM 1083 O LYS A 604 10.756 3.409 4.749 1.00 0.00 O ATOM 1084 CB LYS A 604 13.106 2.490 6.531 1.00 0.00 C ATOM 1085 CG LYS A 604 13.983 3.738 6.411 1.00 0.00 C ATOM 1086 CD LYS A 604 13.720 4.469 5.093 1.00 0.00 C ATOM 1087 CE LYS A 604 14.982 5.176 4.597 1.00 0.00 C ATOM 1088 NZ LYS A 604 15.415 6.206 5.567 1.00 0.00 N ATOM 0 H LYS A 604 11.156 1.079 7.872 1.00 0.00 H new ATOM 0 HA LYS A 604 11.695 3.924 7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 604 13.519 1.822 7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 604 13.112 1.945 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 604 13.785 4.408 7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 604 15.034 3.455 6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 604 13.378 3.758 4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 604 12.921 5.197 5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 604 15.780 4.448 4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 604 14.790 5.638 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 16.211 6.744 5.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 14.624 6.852 5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 15.715 5.747 6.451 1.00 0.00 H new ATOM 1101 N ASN A 605 9.758 1.761 5.932 1.00 0.00 N ATOM 1102 CA ASN A 605 8.748 1.495 4.921 1.00 0.00 C ATOM 1103 C ASN A 605 9.380 1.612 3.533 1.00 0.00 C ATOM 1104 O ASN A 605 10.589 1.448 3.381 1.00 0.00 O ATOM 1105 CB ASN A 605 7.603 2.506 5.007 1.00 0.00 C ATOM 1106 CG ASN A 605 8.061 3.892 4.549 1.00 0.00 C ATOM 1107 OD1 ASN A 605 8.088 4.207 3.371 1.00 0.00 O ATOM 1108 ND2 ASN A 605 8.417 4.700 5.543 1.00 0.00 N ATOM 0 H ASN A 605 9.693 1.174 6.764 1.00 0.00 H new ATOM 0 HA ASN A 605 8.356 0.492 5.091 1.00 0.00 H new ATOM 0 HB2 ASN A 605 6.770 2.171 4.389 1.00 0.00 H new ATOM 0 HB3 ASN A 605 7.237 2.560 6.032 1.00 0.00 H new ATOM 0 HD21 ASN A 605 8.737 5.647 5.341 1.00 0.00 H new ATOM 0 HD22 ASN A 605 8.370 4.373 6.508 1.00 0.00 H new ATOM 1115 N TYR A 606 8.533 1.896 2.555 1.00 0.00 N ATOM 1116 CA TYR A 606 8.993 2.038 1.184 1.00 0.00 C ATOM 1117 C TYR A 606 8.481 3.340 0.565 1.00 0.00 C ATOM 1118 O TYR A 606 7.529 3.938 1.066 1.00 0.00 O ATOM 1119 CB TYR A 606 8.400 0.855 0.415 1.00 0.00 C ATOM 1120 CG TYR A 606 8.961 -0.505 0.837 1.00 0.00 C ATOM 1121 CD1 TYR A 606 10.116 -0.985 0.254 1.00 0.00 C ATOM 1122 CD2 TYR A 606 8.313 -1.251 1.800 1.00 0.00 C ATOM 1123 CE1 TYR A 606 10.644 -2.265 0.650 1.00 0.00 C ATOM 1124 CE2 TYR A 606 8.841 -2.530 2.197 1.00 0.00 C ATOM 1125 CZ TYR A 606 9.981 -2.974 1.602 1.00 0.00 C ATOM 1126 OH TYR A 606 10.480 -4.183 1.977 1.00 0.00 O ATOM 0 H TYR A 606 7.530 2.032 2.685 1.00 0.00 H new ATOM 0 HA TYR A 606 10.082 2.059 1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 606 7.319 0.850 0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 606 8.584 0.998 -0.650 1.00 0.00 H new ATOM 0 HD1 TYR A 606 10.624 -0.401 -0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 606 7.409 -0.875 2.256 1.00 0.00 H new ATOM 0 HE1 TYR A 606 11.546 -2.653 0.201 1.00 0.00 H new ATOM 0 HE2 TYR A 606 8.344 -3.123 2.950 1.00 0.00 H new ATOM 0 HH TYR A 606 9.904 -4.575 2.666 1.00 0.00 H new ATOM 1136 N LEU A 607 9.134 3.742 -0.515 1.00 0.00 N ATOM 1137 CA LEU A 607 8.757 4.963 -1.207 1.00 0.00 C ATOM 1138 C LEU A 607 8.235 4.612 -2.602 1.00 0.00 C ATOM 1139 O LEU A 607 8.948 4.010 -3.403 1.00 0.00 O ATOM 1140 CB LEU A 607 9.922 5.955 -1.218 1.00 0.00 C ATOM 1141 CG LEU A 607 10.711 6.077 0.087 1.00 0.00 C ATOM 1142 CD1 LEU A 607 12.216 6.131 -0.185 1.00 0.00 C ATOM 1143 CD2 LEU A 607 10.233 7.277 0.907 1.00 0.00 C ATOM 0 H LEU A 607 9.922 3.244 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 607 7.946 5.465 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 607 10.612 5.666 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 607 9.533 6.939 -1.477 1.00 0.00 H new ATOM 0 HG LEU A 607 10.524 5.184 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 607 12.754 6.218 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 607 12.526 5.220 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 607 12.442 6.994 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 607 10.810 7.341 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 607 10.371 8.191 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 607 9.177 7.156 1.148 1.00 0.00 H new ATOM 1155 N PHE A 608 6.994 5.004 -2.850 1.00 0.00 N ATOM 1156 CA PHE A 608 6.367 4.739 -4.134 1.00 0.00 C ATOM 1157 C PHE A 608 5.748 6.012 -4.715 1.00 0.00 C ATOM 1158 O PHE A 608 5.327 6.897 -3.971 1.00 0.00 O ATOM 1159 CB PHE A 608 5.260 3.713 -3.888 1.00 0.00 C ATOM 1160 CG PHE A 608 5.702 2.506 -3.058 1.00 0.00 C ATOM 1161 CD1 PHE A 608 6.878 1.883 -3.338 1.00 0.00 C ATOM 1162 CD2 PHE A 608 4.920 2.057 -2.040 1.00 0.00 C ATOM 1163 CE1 PHE A 608 7.289 0.763 -2.568 1.00 0.00 C ATOM 1164 CE2 PHE A 608 5.331 0.937 -1.270 1.00 0.00 C ATOM 1165 CZ PHE A 608 6.507 0.314 -1.550 1.00 0.00 C ATOM 0 H PHE A 608 6.405 5.503 -2.183 1.00 0.00 H new ATOM 0 HA PHE A 608 7.110 4.373 -4.843 1.00 0.00 H new ATOM 0 HB2 PHE A 608 4.429 4.205 -3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 608 4.884 3.362 -4.849 1.00 0.00 H new ATOM 0 HD1 PHE A 608 7.499 2.240 -4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 608 3.986 2.552 -1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 608 8.223 0.268 -2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 608 4.710 0.580 -0.462 1.00 0.00 H new ATOM 0 HZ PHE A 608 6.820 -0.537 -0.964 1.00 0.00 H new ATOM 1175 N SER A 609 5.711 6.063 -6.038 1.00 0.00 N ATOM 1176 CA SER A 609 5.149 7.212 -6.727 1.00 0.00 C ATOM 1177 C SER A 609 3.844 6.819 -7.422 1.00 0.00 C ATOM 1178 O SER A 609 3.539 5.635 -7.554 1.00 0.00 O ATOM 1179 CB SER A 609 6.140 7.783 -7.743 1.00 0.00 C ATOM 1180 OG SER A 609 5.755 9.079 -8.195 1.00 0.00 O ATOM 0 H SER A 609 6.061 5.327 -6.651 1.00 0.00 H new ATOM 0 HA SER A 609 4.941 7.986 -5.988 1.00 0.00 H new ATOM 0 HB2 SER A 609 7.131 7.836 -7.292 1.00 0.00 H new ATOM 0 HB3 SER A 609 6.213 7.109 -8.596 1.00 0.00 H new ATOM 0 HG SER A 609 5.923 9.736 -7.487 1.00 0.00 H new ATOM 1186 N THR A 610 3.109 7.836 -7.849 1.00 0.00 N ATOM 1187 CA THR A 610 1.843 7.612 -8.527 1.00 0.00 C ATOM 1188 C THR A 610 2.002 6.547 -9.614 1.00 0.00 C ATOM 1189 O THR A 610 3.119 6.141 -9.932 1.00 0.00 O ATOM 1190 CB THR A 610 1.349 8.957 -9.062 1.00 0.00 C ATOM 1191 OG1 THR A 610 2.329 9.328 -10.028 1.00 0.00 O ATOM 1192 CG2 THR A 610 1.422 10.068 -8.012 1.00 0.00 C ATOM 0 H THR A 610 3.366 8.817 -7.739 1.00 0.00 H new ATOM 0 HA THR A 610 1.090 7.222 -7.842 1.00 0.00 H new ATOM 0 HB THR A 610 0.321 8.853 -9.410 1.00 0.00 H new ATOM 0 HG1 THR A 610 2.086 10.190 -10.427 1.00 0.00 H new ATOM 0 HG21 THR A 610 1.060 11.001 -8.444 1.00 0.00 H new ATOM 0 HG22 THR A 610 0.803 9.800 -7.155 1.00 0.00 H new ATOM 0 HG23 THR A 610 2.455 10.195 -7.688 1.00 0.00 H new ATOM 1200 N GLY A 611 0.868 6.124 -10.153 1.00 0.00 N ATOM 1201 CA GLY A 611 0.867 5.113 -11.197 1.00 0.00 C ATOM 1202 C GLY A 611 0.396 3.763 -10.653 1.00 0.00 C ATOM 1203 O GLY A 611 -0.290 3.706 -9.634 1.00 0.00 O ATOM 0 H GLY A 611 -0.056 6.463 -9.886 1.00 0.00 H new ATOM 0 HA2 GLY A 611 0.216 5.428 -12.012 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.870 5.012 -11.611 1.00 0.00 H new ATOM 1207 N THR A 612 0.784 2.710 -11.358 1.00 0.00 N ATOM 1208 CA THR A 612 0.410 1.364 -10.958 1.00 0.00 C ATOM 1209 C THR A 612 1.592 0.657 -10.293 1.00 0.00 C ATOM 1210 O THR A 612 2.708 0.686 -10.809 1.00 0.00 O ATOM 1211 CB THR A 612 -0.118 0.633 -12.195 1.00 0.00 C ATOM 1212 OG1 THR A 612 -0.765 1.653 -12.951 1.00 0.00 O ATOM 1213 CG2 THR A 612 -1.240 -0.351 -11.859 1.00 0.00 C ATOM 0 H THR A 612 1.353 2.762 -12.203 1.00 0.00 H new ATOM 0 HA THR A 612 -0.382 1.380 -10.209 1.00 0.00 H new ATOM 0 HB THR A 612 0.700 0.099 -12.678 1.00 0.00 H new ATOM 0 HG1 THR A 612 -1.135 1.267 -13.772 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.578 -0.842 -12.771 1.00 0.00 H new ATOM 0 HG22 THR A 612 -0.869 -1.100 -11.159 1.00 0.00 H new ATOM 0 HG23 THR A 612 -2.073 0.187 -11.407 1.00 0.00 H new ATOM 1221 N SER A 613 1.307 0.038 -9.157 1.00 0.00 N ATOM 1222 CA SER A 613 2.333 -0.676 -8.415 1.00 0.00 C ATOM 1223 C SER A 613 1.817 -2.056 -8.003 1.00 0.00 C ATOM 1224 O SER A 613 0.608 -2.275 -7.934 1.00 0.00 O ATOM 1225 CB SER A 613 2.772 0.116 -7.182 1.00 0.00 C ATOM 1226 OG SER A 613 4.187 0.274 -7.125 1.00 0.00 O ATOM 0 H SER A 613 0.380 0.016 -8.732 1.00 0.00 H new ATOM 0 HA SER A 613 3.201 -0.799 -9.063 1.00 0.00 H new ATOM 0 HB2 SER A 613 2.298 1.097 -7.194 1.00 0.00 H new ATOM 0 HB3 SER A 613 2.428 -0.394 -6.282 1.00 0.00 H new ATOM 0 HG SER A 613 4.427 0.786 -6.325 1.00 0.00 H new ATOM 1232 N THR A 614 2.758 -2.950 -7.741 1.00 0.00 N ATOM 1233 CA THR A 614 2.414 -4.303 -7.338 1.00 0.00 C ATOM 1234 C THR A 614 3.245 -4.726 -6.126 1.00 0.00 C ATOM 1235 O THR A 614 4.465 -4.852 -6.218 1.00 0.00 O ATOM 1236 CB THR A 614 2.597 -5.219 -8.550 1.00 0.00 C ATOM 1237 OG1 THR A 614 2.123 -4.442 -9.647 1.00 0.00 O ATOM 1238 CG2 THR A 614 1.661 -6.428 -8.517 1.00 0.00 C ATOM 0 H THR A 614 3.759 -2.764 -7.800 1.00 0.00 H new ATOM 0 HA THR A 614 1.374 -4.368 -7.018 1.00 0.00 H new ATOM 0 HB THR A 614 3.631 -5.562 -8.593 1.00 0.00 H new ATOM 0 HG1 THR A 614 2.207 -4.960 -10.475 1.00 0.00 H new ATOM 0 HG21 THR A 614 1.832 -7.045 -9.399 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.857 -7.016 -7.620 1.00 0.00 H new ATOM 0 HG23 THR A 614 0.626 -6.087 -8.508 1.00 0.00 H new ATOM 1246 N TYR A 615 2.552 -4.935 -5.016 1.00 0.00 N ATOM 1247 CA TYR A 615 3.211 -5.342 -3.787 1.00 0.00 C ATOM 1248 C TYR A 615 3.160 -6.861 -3.614 1.00 0.00 C ATOM 1249 O TYR A 615 2.085 -7.436 -3.454 1.00 0.00 O ATOM 1250 CB TYR A 615 2.425 -4.685 -2.650 1.00 0.00 C ATOM 1251 CG TYR A 615 3.271 -3.781 -1.750 1.00 0.00 C ATOM 1252 CD1 TYR A 615 4.573 -4.128 -1.452 1.00 0.00 C ATOM 1253 CD2 TYR A 615 2.731 -2.619 -1.237 1.00 0.00 C ATOM 1254 CE1 TYR A 615 5.369 -3.278 -0.605 1.00 0.00 C ATOM 1255 CE2 TYR A 615 3.527 -1.769 -0.390 1.00 0.00 C ATOM 1256 CZ TYR A 615 4.806 -2.140 -0.116 1.00 0.00 C ATOM 1257 OH TYR A 615 5.558 -1.337 0.683 1.00 0.00 O ATOM 0 H TYR A 615 1.540 -4.830 -4.942 1.00 0.00 H new ATOM 0 HA TYR A 615 4.260 -5.045 -3.798 1.00 0.00 H new ATOM 0 HB2 TYR A 615 1.612 -4.098 -3.076 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.969 -5.464 -2.039 1.00 0.00 H new ATOM 0 HD1 TYR A 615 4.995 -5.037 -1.854 1.00 0.00 H new ATOM 0 HD2 TYR A 615 1.712 -2.347 -1.471 1.00 0.00 H new ATOM 0 HE1 TYR A 615 6.389 -3.538 -0.364 1.00 0.00 H new ATOM 0 HE2 TYR A 615 3.117 -0.857 0.019 1.00 0.00 H new ATOM 0 HH TYR A 615 5.685 -0.468 0.247 1.00 0.00 H new ATOM 1267 N THR A 616 4.337 -7.469 -3.654 1.00 0.00 N ATOM 1268 CA THR A 616 4.441 -8.910 -3.504 1.00 0.00 C ATOM 1269 C THR A 616 4.939 -9.266 -2.102 1.00 0.00 C ATOM 1270 O THR A 616 6.074 -8.955 -1.745 1.00 0.00 O ATOM 1271 CB THR A 616 5.342 -9.438 -4.621 1.00 0.00 C ATOM 1272 OG1 THR A 616 4.511 -9.413 -5.779 1.00 0.00 O ATOM 1273 CG2 THR A 616 5.689 -10.918 -4.444 1.00 0.00 C ATOM 0 H THR A 616 5.227 -6.989 -3.788 1.00 0.00 H new ATOM 0 HA THR A 616 3.466 -9.389 -3.600 1.00 0.00 H new ATOM 0 HB THR A 616 6.260 -8.851 -4.654 1.00 0.00 H new ATOM 0 HG1 THR A 616 5.017 -9.739 -6.552 1.00 0.00 H new ATOM 0 HG21 THR A 616 6.330 -11.242 -5.264 1.00 0.00 H new ATOM 0 HG22 THR A 616 6.211 -11.059 -3.498 1.00 0.00 H new ATOM 0 HG23 THR A 616 4.773 -11.509 -4.445 1.00 0.00 H new ATOM 1281 N PRO A 617 4.042 -9.930 -1.324 1.00 0.00 N ATOM 1282 CA PRO A 617 4.380 -10.332 0.031 1.00 0.00 C ATOM 1283 C PRO A 617 5.322 -11.538 0.026 1.00 0.00 C ATOM 1284 O PRO A 617 5.035 -12.556 0.654 1.00 0.00 O ATOM 1285 CB PRO A 617 3.046 -10.623 0.698 1.00 0.00 C ATOM 1286 CG PRO A 617 2.049 -10.823 -0.431 1.00 0.00 C ATOM 1287 CD PRO A 617 2.689 -10.315 -1.713 1.00 0.00 C ATOM 0 HA PRO A 617 4.923 -9.560 0.576 1.00 0.00 H new ATOM 0 HB2 PRO A 617 3.109 -11.512 1.325 1.00 0.00 H new ATOM 0 HB3 PRO A 617 2.744 -9.798 1.344 1.00 0.00 H new ATOM 0 HG2 PRO A 617 1.787 -11.877 -0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 617 1.125 -10.282 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.703 -11.087 -2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 617 2.138 -9.468 -2.122 1.00 0.00 H new ATOM 1295 N GLY A 618 6.427 -11.383 -0.688 1.00 0.00 N ATOM 1296 CA GLY A 618 7.413 -12.446 -0.782 1.00 0.00 C ATOM 1297 C GLY A 618 6.738 -13.819 -0.802 1.00 0.00 C ATOM 1298 O GLY A 618 5.591 -13.945 -1.229 1.00 0.00 O ATOM 0 H GLY A 618 6.661 -10.537 -1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 618 8.008 -12.316 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 618 8.099 -12.386 0.063 1.00 0.00 H new ATOM 1302 N SER A 619 7.478 -14.813 -0.333 1.00 0.00 N ATOM 1303 CA SER A 619 6.966 -16.172 -0.292 1.00 0.00 C ATOM 1304 C SER A 619 5.968 -16.320 0.858 1.00 0.00 C ATOM 1305 O SER A 619 4.829 -16.734 0.647 1.00 0.00 O ATOM 1306 CB SER A 619 8.103 -17.185 -0.141 1.00 0.00 C ATOM 1307 OG SER A 619 8.036 -18.213 -1.126 1.00 0.00 O ATOM 0 H SER A 619 8.428 -14.704 0.022 1.00 0.00 H new ATOM 0 HA SER A 619 6.458 -16.375 -1.235 1.00 0.00 H new ATOM 0 HB2 SER A 619 9.060 -16.670 -0.219 1.00 0.00 H new ATOM 0 HB3 SER A 619 8.061 -17.631 0.853 1.00 0.00 H new ATOM 0 HG SER A 619 8.779 -18.838 -0.997 1.00 0.00 H new ATOM 1313 N ASN A 620 6.431 -15.974 2.050 1.00 0.00 N ATOM 1314 CA ASN A 620 5.593 -16.063 3.234 1.00 0.00 C ATOM 1315 C ASN A 620 6.250 -15.287 4.378 1.00 0.00 C ATOM 1316 O ASN A 620 7.415 -15.515 4.698 1.00 0.00 O ATOM 1317 CB ASN A 620 5.427 -17.516 3.683 1.00 0.00 C ATOM 1318 CG ASN A 620 4.312 -18.209 2.896 1.00 0.00 C ATOM 1319 OD1 ASN A 620 4.530 -18.803 1.853 1.00 0.00 O ATOM 1320 ND2 ASN A 620 3.109 -18.099 3.453 1.00 0.00 N ATOM 0 H ASN A 620 7.376 -15.631 2.222 1.00 0.00 H new ATOM 0 HA ASN A 620 4.616 -15.648 2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 620 6.365 -18.053 3.542 1.00 0.00 H new ATOM 0 HB3 ASN A 620 5.199 -17.547 4.748 1.00 0.00 H new ATOM 0 HD21 ASN A 620 2.299 -18.527 3.005 1.00 0.00 H new ATOM 0 HD22 ASN A 620 2.997 -17.587 4.328 1.00 0.00 H new ATOM 1327 N GLY A 621 5.473 -14.387 4.962 1.00 0.00 N ATOM 1328 CA GLY A 621 5.964 -13.576 6.063 1.00 0.00 C ATOM 1329 C GLY A 621 7.394 -13.102 5.799 1.00 0.00 C ATOM 1330 O GLY A 621 8.158 -12.868 6.735 1.00 0.00 O ATOM 0 H GLY A 621 4.507 -14.201 4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 621 5.312 -12.714 6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 621 5.933 -14.154 6.987 1.00 0.00 H new ATOM 1334 N ALA A 622 7.714 -12.973 4.520 1.00 0.00 N ATOM 1335 CA ALA A 622 9.039 -12.530 4.121 1.00 0.00 C ATOM 1336 C ALA A 622 8.912 -11.291 3.232 1.00 0.00 C ATOM 1337 O ALA A 622 8.536 -11.395 2.066 1.00 0.00 O ATOM 1338 CB ALA A 622 9.772 -13.677 3.421 1.00 0.00 C ATOM 0 H ALA A 622 7.078 -13.168 3.746 1.00 0.00 H new ATOM 0 HA ALA A 622 9.629 -12.250 4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 622 10.766 -13.345 3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 622 9.862 -14.522 4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.210 -13.983 2.538 1.00 0.00 H new ATOM 1344 N ALA A 623 9.233 -10.147 3.818 1.00 0.00 N ATOM 1345 CA ALA A 623 9.160 -8.889 3.094 1.00 0.00 C ATOM 1346 C ALA A 623 9.643 -9.103 1.658 1.00 0.00 C ATOM 1347 O ALA A 623 10.786 -9.500 1.437 1.00 0.00 O ATOM 1348 CB ALA A 623 9.977 -7.826 3.832 1.00 0.00 C ATOM 0 H ALA A 623 9.544 -10.065 4.786 1.00 0.00 H new ATOM 0 HA ALA A 623 8.131 -8.533 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 623 9.922 -6.883 3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 623 9.575 -7.690 4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 623 11.017 -8.147 3.898 1.00 0.00 H new ATOM 1354 N GLY A 624 8.748 -8.830 0.720 1.00 0.00 N ATOM 1355 CA GLY A 624 9.069 -8.988 -0.688 1.00 0.00 C ATOM 1356 C GLY A 624 9.512 -7.658 -1.302 1.00 0.00 C ATOM 1357 O GLY A 624 10.393 -6.987 -0.768 1.00 0.00 O ATOM 0 H GLY A 624 7.801 -8.501 0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 624 9.861 -9.728 -0.803 1.00 0.00 H new ATOM 0 HA3 GLY A 624 8.198 -9.367 -1.223 1.00 0.00 H new ATOM 1361 N THR A 625 8.880 -7.318 -2.416 1.00 0.00 N ATOM 1362 CA THR A 625 9.198 -6.080 -3.108 1.00 0.00 C ATOM 1363 C THR A 625 7.972 -5.559 -3.860 1.00 0.00 C ATOM 1364 O THR A 625 6.966 -6.259 -3.975 1.00 0.00 O ATOM 1365 CB THR A 625 10.401 -6.342 -4.015 1.00 0.00 C ATOM 1366 OG1 THR A 625 10.159 -7.641 -4.547 1.00 0.00 O ATOM 1367 CG2 THR A 625 11.705 -6.498 -3.229 1.00 0.00 C ATOM 0 H THR A 625 8.150 -7.878 -2.856 1.00 0.00 H new ATOM 0 HA THR A 625 9.468 -5.292 -2.405 1.00 0.00 H new ATOM 0 HB THR A 625 10.503 -5.523 -4.727 1.00 0.00 H new ATOM 0 HG1 THR A 625 10.891 -7.890 -5.149 1.00 0.00 H new ATOM 0 HG21 THR A 625 12.527 -6.682 -3.921 1.00 0.00 H new ATOM 0 HG22 THR A 625 11.902 -5.586 -2.666 1.00 0.00 H new ATOM 0 HG23 THR A 625 11.616 -7.337 -2.539 1.00 0.00 H new ATOM 1375 N ILE A 626 8.095 -4.335 -4.352 1.00 0.00 N ATOM 1376 CA ILE A 626 7.009 -3.713 -5.090 1.00 0.00 C ATOM 1377 C ILE A 626 7.471 -3.421 -6.519 1.00 0.00 C ATOM 1378 O ILE A 626 8.487 -2.759 -6.724 1.00 0.00 O ATOM 1379 CB ILE A 626 6.494 -2.479 -4.346 1.00 0.00 C ATOM 1380 CG1 ILE A 626 6.868 -2.537 -2.863 1.00 0.00 C ATOM 1381 CG2 ILE A 626 4.987 -2.305 -4.550 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.325 -2.121 -2.649 1.00 0.00 C ATOM 0 H ILE A 626 8.930 -3.757 -4.254 1.00 0.00 H new ATOM 0 HA ILE A 626 6.159 -4.392 -5.162 1.00 0.00 H new ATOM 0 HB ILE A 626 6.980 -1.599 -4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 626 6.211 -1.881 -2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 626 6.715 -3.548 -2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 626 4.647 -1.421 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.775 -2.186 -5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.465 -3.184 -4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 626 8.565 -2.171 -1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 626 8.981 -2.794 -3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 626 8.468 -1.101 -3.006 1.00 0.00 H new ATOM 1394 N ARG A 627 6.701 -3.928 -7.471 1.00 0.00 N ATOM 1395 CA ARG A 627 7.019 -3.730 -8.875 1.00 0.00 C ATOM 1396 C ARG A 627 5.992 -2.801 -9.525 1.00 0.00 C ATOM 1397 O ARG A 627 4.788 -3.025 -9.412 1.00 0.00 O ATOM 1398 CB ARG A 627 7.040 -5.062 -9.628 1.00 0.00 C ATOM 1399 CG ARG A 627 8.434 -5.352 -10.189 1.00 0.00 C ATOM 1400 CD ARG A 627 8.618 -4.702 -11.562 1.00 0.00 C ATOM 1401 NE ARG A 627 9.926 -4.014 -11.625 1.00 0.00 N ATOM 1402 CZ ARG A 627 10.459 -3.502 -12.756 1.00 0.00 C ATOM 1403 NH1 ARG A 627 9.797 -3.596 -13.928 1.00 0.00 N ATOM 1404 NH2 ARG A 627 11.636 -2.908 -12.696 1.00 0.00 N ATOM 0 H ARG A 627 5.858 -4.475 -7.298 1.00 0.00 H new ATOM 0 HA ARG A 627 8.010 -3.279 -8.931 1.00 0.00 H new ATOM 0 HB2 ARG A 627 6.739 -5.867 -8.958 1.00 0.00 H new ATOM 0 HB3 ARG A 627 6.315 -5.036 -10.441 1.00 0.00 H new ATOM 0 HG2 ARG A 627 9.192 -4.978 -9.501 1.00 0.00 H new ATOM 0 HG3 ARG A 627 8.581 -6.429 -10.270 1.00 0.00 H new ATOM 0 HD2 ARG A 627 8.559 -5.460 -12.343 1.00 0.00 H new ATOM 0 HD3 ARG A 627 7.814 -3.990 -11.747 1.00 0.00 H new ATOM 0 HE ARG A 627 10.459 -3.920 -10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 627 8.887 -4.056 -13.964 1.00 0.00 H new ATOM 0 HH12 ARG A 627 10.206 -3.207 -14.777 1.00 0.00 H new ATOM 0 HH21 ARG A 627 12.129 -2.841 -11.805 1.00 0.00 H new ATOM 0 HH22 ARG A 627 12.053 -2.516 -13.540 1.00 0.00 H new ATOM 1417 N THR A 628 6.506 -1.778 -10.192 1.00 0.00 N ATOM 1418 CA THR A 628 5.649 -0.814 -10.860 1.00 0.00 C ATOM 1419 C THR A 628 5.084 -1.408 -12.152 1.00 0.00 C ATOM 1420 O THR A 628 5.750 -2.198 -12.819 1.00 0.00 O ATOM 1421 CB THR A 628 6.459 0.465 -11.083 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.704 0.203 -10.441 1.00 0.00 O ATOM 1423 CG2 THR A 628 5.889 1.660 -10.317 1.00 0.00 C ATOM 0 H THR A 628 7.505 -1.596 -10.284 1.00 0.00 H new ATOM 0 HA THR A 628 4.783 -0.564 -10.248 1.00 0.00 H new ATOM 0 HB THR A 628 6.486 0.696 -12.148 1.00 0.00 H new ATOM 0 HG1 THR A 628 8.292 0.981 -10.538 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.501 2.541 -10.510 1.00 0.00 H new ATOM 0 HG22 THR A 628 4.867 1.849 -10.645 1.00 0.00 H new ATOM 0 HG23 THR A 628 5.893 1.443 -9.249 1.00 0.00 H new ATOM 1431 N GLY A 629 3.862 -1.004 -12.467 1.00 0.00 N ATOM 1432 CA GLY A 629 3.200 -1.487 -13.667 1.00 0.00 C ATOM 1433 C GLY A 629 1.919 -2.248 -13.318 1.00 0.00 C ATOM 1434 O GLY A 629 1.875 -2.976 -12.328 1.00 0.00 O ATOM 0 H GLY A 629 3.313 -0.348 -11.912 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.962 -0.646 -14.319 1.00 0.00 H new ATOM 0 HA3 GLY A 629 3.875 -2.139 -14.222 1.00 0.00 H new ATOM 1438 N ALA A 630 0.907 -2.053 -14.151 1.00 0.00 N ATOM 1439 CA ALA A 630 -0.371 -2.712 -13.944 1.00 0.00 C ATOM 1440 C ALA A 630 -0.167 -4.228 -13.962 1.00 0.00 C ATOM 1441 O ALA A 630 0.534 -4.753 -14.825 1.00 0.00 O ATOM 1442 CB ALA A 630 -1.365 -2.244 -15.008 1.00 0.00 C ATOM 0 H ALA A 630 0.947 -1.448 -14.971 1.00 0.00 H new ATOM 0 HA ALA A 630 -0.786 -2.447 -12.972 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -2.324 -2.738 -14.853 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -1.497 -1.165 -14.933 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -0.984 -2.495 -15.998 1.00 0.00 H new ATOM 1448 N PRO A 631 -0.810 -4.906 -12.974 1.00 0.00 N ATOM 1449 CA PRO A 631 -0.706 -6.352 -12.868 1.00 0.00 C ATOM 1450 C PRO A 631 -1.554 -7.041 -13.940 1.00 0.00 C ATOM 1451 O PRO A 631 -2.217 -6.377 -14.734 1.00 0.00 O ATOM 1452 CB PRO A 631 -1.158 -6.676 -11.454 1.00 0.00 C ATOM 1453 CG PRO A 631 -1.935 -5.461 -10.975 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.648 -4.317 -11.934 1.00 0.00 C ATOM 0 HA PRO A 631 0.307 -6.716 -13.041 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -1.782 -7.569 -11.439 1.00 0.00 H new ATOM 0 HB3 PRO A 631 -0.304 -6.873 -10.807 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -3.003 -5.677 -10.947 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -1.638 -5.193 -9.961 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.569 -3.910 -12.351 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -1.136 -3.497 -11.430 1.00 0.00 H new ATOM 1462 N SER A 632 -1.503 -8.365 -13.926 1.00 0.00 N ATOM 1463 CA SER A 632 -2.258 -9.152 -14.887 1.00 0.00 C ATOM 1464 C SER A 632 -3.756 -9.031 -14.601 1.00 0.00 C ATOM 1465 O SER A 632 -4.412 -10.020 -14.278 1.00 0.00 O ATOM 1466 CB SER A 632 -1.829 -10.621 -14.854 1.00 0.00 C ATOM 1467 OG SER A 632 -0.886 -10.924 -15.879 1.00 0.00 O ATOM 0 H SER A 632 -0.951 -8.912 -13.265 1.00 0.00 H new ATOM 0 HA SER A 632 -2.052 -8.763 -15.884 1.00 0.00 H new ATOM 0 HB2 SER A 632 -1.394 -10.850 -13.881 1.00 0.00 H new ATOM 0 HB3 SER A 632 -2.706 -11.258 -14.968 1.00 0.00 H new ATOM 0 HG SER A 632 -0.636 -11.870 -15.824 1.00 0.00 H new ATOM 1473 N GLY A 633 -4.254 -7.810 -14.731 1.00 0.00 N ATOM 1474 CA GLY A 633 -5.662 -7.546 -14.491 1.00 0.00 C ATOM 1475 C GLY A 633 -5.880 -6.102 -14.036 1.00 0.00 C ATOM 1476 O GLY A 633 -6.045 -5.840 -12.845 1.00 0.00 O ATOM 0 H GLY A 633 -3.707 -6.992 -15.000 1.00 0.00 H new ATOM 0 HA2 GLY A 633 -6.231 -7.734 -15.401 1.00 0.00 H new ATOM 0 HA3 GLY A 633 -6.040 -8.231 -13.732 1.00 0.00 H new TER 1480 GLY A 633