USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=32 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 77:sc= -0.142 USER MOD Set 1.2: A 610 THR OG1 : rot 180:sc= 0.00596 USER MOD Set 2.1: A 537 THR OG1 : rot 180:sc= -0.824 USER MOD Set 2.2: A 578 THR OG1 : rot 180:sc=-0.00222 USER MOD Single : A 532 THR OG1 : rot 3:sc= 0.561 USER MOD Single : A 533 THR OG1 : rot 180:sc= 0 USER MOD Single : A 534 ASN : amide:sc= -2.23! C(o=-2.2!,f=-2.4!) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 539 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 TYR OH : rot 180:sc= -0.572 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= -0.481 X(o=-0.48,f=-0.062) 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= -5.03 K(o=-5,f=-3.7!) USER MOD Single : A 551 TYR OH : rot 150:sc= -4.46! USER MOD Single : A 557 SER OG : rot 180:sc= 0 USER MOD Single : A 559 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 MET CE :methyl 154:sc= -6.24! (180deg=-7.03!) USER MOD Single : A 567 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.77) USER MOD Single : A 572 SER OG : rot 75:sc= 0.00125 USER MOD Single : A 574 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0929) USER MOD Single : A 583 SER OG : rot 180:sc= -0.448 USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 GLN : amide:sc= -0.0441 K(o=-0.044,f=-0.68) USER MOD Single : A 592 ASN : amide:sc= -2.04 K(o=-2,f=-3.2) USER MOD Single : A 595 ASN : amide:sc= -0.519! K(o=-0.52!,f=-1.1) USER MOD Single : A 596 ASN : amide:sc= -0.0551 X(o=-0.055,f=-0.36) USER MOD Single : A 597 ASN : amide:sc=-0.00247 X(o=-0.0025,f=0) USER MOD Single : A 600 SER OG : rot 180:sc= 0 USER MOD Single : A 601 ASN : amide:sc= -2.2 K(o=-2.2,f=-1.3) USER MOD Single : A 602 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 603 THR OG1 : rot -5:sc= 0.438 USER MOD Single : A 604 LYS NZ :NH3+ -152:sc= -0.0133 (180deg=-0.0386) USER MOD Single : A 605 ASN : amide:sc= -0.581 X(o=-0.58,f=-0.12) USER MOD Single : A 606 TYR OH : rot 80:sc= -1.72! USER MOD Single : A 612 THR OG1 : rot 180:sc=-0.00304 USER MOD Single : A 613 SER OG : rot 180:sc= 0 USER MOD Single : A 614 THR OG1 : rot 170:sc= -0.385 USER MOD Single : A 615 TYR OH : rot 28:sc= -1.26 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= -0.0542 X(o=-0.054,f=-0.42) 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 51:sc= 0.653 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 530 -0.706 22.456 -7.535 1.00 0.00 N ATOM 2 CA GLY A 530 -1.445 23.707 -7.504 1.00 0.00 C ATOM 3 C GLY A 530 -2.897 23.475 -7.078 1.00 0.00 C ATOM 4 O GLY A 530 -3.238 23.639 -5.908 1.00 0.00 O ATOM 0 HA2 GLY A 530 -0.966 24.400 -6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 530 -1.421 24.172 -8.489 1.00 0.00 H new ATOM 8 N GLY A 531 -3.712 23.098 -8.052 1.00 0.00 N ATOM 9 CA GLY A 531 -5.119 22.843 -7.793 1.00 0.00 C ATOM 10 C GLY A 531 -5.547 21.493 -8.372 1.00 0.00 C ATOM 11 O GLY A 531 -6.377 21.437 -9.278 1.00 0.00 O ATOM 0 H GLY A 531 -3.425 22.963 -9.021 1.00 0.00 H new ATOM 0 HA2 GLY A 531 -5.303 22.857 -6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 531 -5.723 23.638 -8.230 1.00 0.00 H new ATOM 15 N THR A 532 -4.960 20.438 -7.825 1.00 0.00 N ATOM 16 CA THR A 532 -5.270 19.092 -8.276 1.00 0.00 C ATOM 17 C THR A 532 -4.779 18.062 -7.257 1.00 0.00 C ATOM 18 O THR A 532 -3.879 18.344 -6.468 1.00 0.00 O ATOM 19 CB THR A 532 -4.661 18.907 -9.668 1.00 0.00 C ATOM 20 OG1 THR A 532 -5.574 19.571 -10.537 1.00 0.00 O ATOM 21 CG2 THR A 532 -4.695 17.450 -10.134 1.00 0.00 C ATOM 0 H THR A 532 -4.272 20.488 -7.074 1.00 0.00 H new ATOM 0 HA THR A 532 -6.346 18.939 -8.353 1.00 0.00 H new ATOM 0 HB THR A 532 -3.630 19.262 -9.663 1.00 0.00 H new ATOM 0 HG1 THR A 532 -6.289 19.983 -10.008 1.00 0.00 H new ATOM 0 HG21 THR A 532 -4.251 17.375 -11.127 1.00 0.00 H new ATOM 0 HG22 THR A 532 -4.130 16.832 -9.436 1.00 0.00 H new ATOM 0 HG23 THR A 532 -5.728 17.104 -10.171 1.00 0.00 H new ATOM 29 N THR A 533 -5.392 16.888 -7.307 1.00 0.00 N ATOM 30 CA THR A 533 -5.029 15.815 -6.398 1.00 0.00 C ATOM 31 C THR A 533 -4.751 14.527 -7.177 1.00 0.00 C ATOM 32 O THR A 533 -5.398 14.257 -8.187 1.00 0.00 O ATOM 33 CB THR A 533 -6.149 15.670 -5.366 1.00 0.00 C ATOM 34 OG1 THR A 533 -5.682 14.650 -4.487 1.00 0.00 O ATOM 35 CG2 THR A 533 -7.429 15.086 -5.968 1.00 0.00 C ATOM 0 H THR A 533 -6.138 16.657 -7.963 1.00 0.00 H new ATOM 0 HA THR A 533 -4.105 16.043 -5.867 1.00 0.00 H new ATOM 0 HB THR A 533 -6.366 16.644 -4.928 1.00 0.00 H new ATOM 0 HG1 THR A 533 -6.348 14.493 -3.785 1.00 0.00 H new ATOM 0 HG21 THR A 533 -8.191 15.004 -5.193 1.00 0.00 H new ATOM 0 HG22 THR A 533 -7.788 15.740 -6.763 1.00 0.00 H new ATOM 0 HG23 THR A 533 -7.220 14.098 -6.377 1.00 0.00 H new ATOM 43 N ASN A 534 -3.787 13.768 -6.678 1.00 0.00 N ATOM 44 CA ASN A 534 -3.416 12.516 -7.314 1.00 0.00 C ATOM 45 C ASN A 534 -3.843 11.349 -6.422 1.00 0.00 C ATOM 46 O ASN A 534 -4.374 11.558 -5.332 1.00 0.00 O ATOM 47 CB ASN A 534 -1.901 12.428 -7.514 1.00 0.00 C ATOM 48 CG ASN A 534 -1.551 12.305 -8.999 1.00 0.00 C ATOM 49 OD1 ASN A 534 -2.148 11.545 -9.743 1.00 0.00 O ATOM 50 ND2 ASN A 534 -0.552 13.093 -9.386 1.00 0.00 N ATOM 0 H ASN A 534 -3.252 13.996 -5.840 1.00 0.00 H new ATOM 0 HA ASN A 534 -3.912 12.471 -8.284 1.00 0.00 H new ATOM 0 HB2 ASN A 534 -1.423 13.314 -7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 534 -1.508 11.568 -6.971 1.00 0.00 H new ATOM 0 HD21 ASN A 534 -0.243 13.084 -10.358 1.00 0.00 H new ATOM 0 HD22 ASN A 534 -0.095 13.706 -8.711 1.00 0.00 H new ATOM 57 N LYS A 535 -3.594 10.145 -6.917 1.00 0.00 N ATOM 58 CA LYS A 535 -3.946 8.945 -6.178 1.00 0.00 C ATOM 59 C LYS A 535 -2.900 7.861 -6.446 1.00 0.00 C ATOM 60 O LYS A 535 -2.359 7.774 -7.547 1.00 0.00 O ATOM 61 CB LYS A 535 -5.377 8.513 -6.506 1.00 0.00 C ATOM 62 CG LYS A 535 -6.374 9.627 -6.180 1.00 0.00 C ATOM 63 CD LYS A 535 -7.813 9.112 -6.250 1.00 0.00 C ATOM 64 CE LYS A 535 -8.556 9.722 -7.440 1.00 0.00 C ATOM 65 NZ LYS A 535 -9.411 8.706 -8.094 1.00 0.00 N ATOM 0 H LYS A 535 -3.153 9.975 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 535 -3.935 9.142 -5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 535 -5.449 8.253 -7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 535 -5.629 7.617 -5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 535 -6.173 10.020 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 535 -6.245 10.452 -6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 535 -7.810 8.025 -6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 535 -8.336 9.357 -5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 535 -9.168 10.559 -7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 535 -7.839 10.120 -8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 -9.908 9.137 -8.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 -8.820 7.920 -8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 -10.107 8.346 -7.410 1.00 0.00 H new ATOM 78 N VAL A 536 -2.646 7.061 -5.420 1.00 0.00 N ATOM 79 CA VAL A 536 -1.675 5.987 -5.531 1.00 0.00 C ATOM 80 C VAL A 536 -2.389 4.642 -5.380 1.00 0.00 C ATOM 81 O VAL A 536 -2.901 4.324 -4.308 1.00 0.00 O ATOM 82 CB VAL A 536 -0.554 6.187 -4.509 1.00 0.00 C ATOM 83 CG1 VAL A 536 0.545 7.092 -5.070 1.00 0.00 C ATOM 84 CG2 VAL A 536 -1.104 6.743 -3.194 1.00 0.00 C ATOM 0 H VAL A 536 -3.097 7.136 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 536 -1.205 5.997 -6.515 1.00 0.00 H new ATOM 0 HB VAL A 536 -0.112 5.212 -4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 536 1.329 7.218 -4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 536 0.967 6.639 -5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 536 0.123 8.065 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 536 -0.287 6.876 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 536 -1.585 7.704 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 536 -1.833 6.046 -2.781 1.00 0.00 H new ATOM 94 N THR A 537 -2.400 3.888 -6.470 1.00 0.00 N ATOM 95 CA THR A 537 -3.042 2.585 -6.472 1.00 0.00 C ATOM 96 C THR A 537 -1.998 1.475 -6.335 1.00 0.00 C ATOM 97 O THR A 537 -1.072 1.387 -7.139 1.00 0.00 O ATOM 98 CB THR A 537 -3.883 2.475 -7.745 1.00 0.00 C ATOM 99 OG1 THR A 537 -4.980 3.354 -7.515 1.00 0.00 O ATOM 100 CG2 THR A 537 -4.535 1.099 -7.899 1.00 0.00 C ATOM 0 H THR A 537 -1.974 4.155 -7.358 1.00 0.00 H new ATOM 0 HA THR A 537 -3.706 2.470 -5.615 1.00 0.00 H new ATOM 0 HB THR A 537 -3.255 2.679 -8.612 1.00 0.00 H new ATOM 0 HG1 THR A 537 -5.575 3.345 -8.293 1.00 0.00 H new ATOM 0 HG21 THR A 537 -5.120 1.074 -8.818 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.761 0.332 -7.941 1.00 0.00 H new ATOM 0 HG23 THR A 537 -5.189 0.909 -7.048 1.00 0.00 H new ATOM 108 N VAL A 538 -2.183 0.656 -5.310 1.00 0.00 N ATOM 109 CA VAL A 538 -1.268 -0.444 -5.057 1.00 0.00 C ATOM 110 C VAL A 538 -2.062 -1.749 -4.960 1.00 0.00 C ATOM 111 O VAL A 538 -3.033 -1.834 -4.210 1.00 0.00 O ATOM 112 CB VAL A 538 -0.436 -0.156 -3.806 1.00 0.00 C ATOM 113 CG1 VAL A 538 0.888 -0.923 -3.840 1.00 0.00 C ATOM 114 CG2 VAL A 538 -0.195 1.346 -3.642 1.00 0.00 C ATOM 0 H VAL A 538 -2.953 0.732 -4.645 1.00 0.00 H new ATOM 0 HA VAL A 538 -0.563 -0.552 -5.881 1.00 0.00 H new ATOM 0 HB VAL A 538 -1.001 -0.501 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 538 1.460 -0.701 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 538 0.687 -1.993 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 538 1.460 -0.622 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 538 0.399 1.523 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 538 0.340 1.726 -4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 538 -1.152 1.860 -3.551 1.00 0.00 H new ATOM 124 N TYR A 539 -1.618 -2.733 -5.728 1.00 0.00 N ATOM 125 CA TYR A 539 -2.275 -4.029 -5.738 1.00 0.00 C ATOM 126 C TYR A 539 -1.477 -5.053 -4.929 1.00 0.00 C ATOM 127 O TYR A 539 -0.270 -5.196 -5.119 1.00 0.00 O ATOM 128 CB TYR A 539 -2.313 -4.471 -7.202 1.00 0.00 C ATOM 129 CG TYR A 539 -3.618 -4.126 -7.923 1.00 0.00 C ATOM 130 CD1 TYR A 539 -4.056 -2.818 -7.968 1.00 0.00 C ATOM 131 CD2 TYR A 539 -4.357 -5.122 -8.527 1.00 0.00 C ATOM 132 CE1 TYR A 539 -5.284 -2.493 -8.646 1.00 0.00 C ATOM 133 CE2 TYR A 539 -5.585 -4.797 -9.205 1.00 0.00 C ATOM 134 CZ TYR A 539 -5.988 -3.498 -9.231 1.00 0.00 C ATOM 135 OH TYR A 539 -7.148 -3.191 -9.871 1.00 0.00 O ATOM 0 H TYR A 539 -0.811 -2.659 -6.348 1.00 0.00 H new ATOM 0 HA TYR A 539 -3.269 -3.959 -5.297 1.00 0.00 H new ATOM 0 HB2 TYR A 539 -1.483 -4.006 -7.733 1.00 0.00 H new ATOM 0 HB3 TYR A 539 -2.158 -5.549 -7.250 1.00 0.00 H new ATOM 0 HD1 TYR A 539 -3.478 -2.038 -7.495 1.00 0.00 H new ATOM 0 HD2 TYR A 539 -4.014 -6.146 -8.491 1.00 0.00 H new ATOM 0 HE1 TYR A 539 -5.638 -1.474 -8.689 1.00 0.00 H new ATOM 0 HE2 TYR A 539 -6.173 -5.567 -9.682 1.00 0.00 H new ATOM 0 HH TYR A 539 -7.543 -4.008 -10.242 1.00 0.00 H new ATOM 145 N TYR A 540 -2.184 -5.740 -4.043 1.00 0.00 N ATOM 146 CA TYR A 540 -1.557 -6.748 -3.205 1.00 0.00 C ATOM 147 C TYR A 540 -2.158 -8.130 -3.465 1.00 0.00 C ATOM 148 O TYR A 540 -3.369 -8.261 -3.637 1.00 0.00 O ATOM 149 CB TYR A 540 -1.854 -6.339 -1.761 1.00 0.00 C ATOM 150 CG TYR A 540 -1.704 -7.476 -0.748 1.00 0.00 C ATOM 151 CD1 TYR A 540 -0.621 -8.328 -0.824 1.00 0.00 C ATOM 152 CD2 TYR A 540 -2.650 -7.649 0.241 1.00 0.00 C ATOM 153 CE1 TYR A 540 -0.479 -9.398 0.129 1.00 0.00 C ATOM 154 CE2 TYR A 540 -2.508 -8.720 1.194 1.00 0.00 C ATOM 155 CZ TYR A 540 -1.430 -9.541 1.091 1.00 0.00 C ATOM 156 OH TYR A 540 -1.296 -10.552 1.991 1.00 0.00 O ATOM 0 H TYR A 540 -3.185 -5.618 -3.887 1.00 0.00 H new ATOM 0 HA TYR A 540 -0.488 -6.808 -3.412 1.00 0.00 H new ATOM 0 HB2 TYR A 540 -1.185 -5.525 -1.480 1.00 0.00 H new ATOM 0 HB3 TYR A 540 -2.871 -5.949 -1.706 1.00 0.00 H new ATOM 0 HD1 TYR A 540 0.120 -8.192 -1.598 1.00 0.00 H new ATOM 0 HD2 TYR A 540 -3.497 -6.982 0.301 1.00 0.00 H new ATOM 0 HE1 TYR A 540 0.364 -10.072 0.081 1.00 0.00 H new ATOM 0 HE2 TYR A 540 -3.242 -8.867 1.973 1.00 0.00 H new ATOM 0 HH TYR A 540 -2.048 -10.532 2.620 1.00 0.00 H new ATOM 166 N LYS A 541 -1.285 -9.126 -3.486 1.00 0.00 N ATOM 167 CA LYS A 541 -1.715 -10.494 -3.723 1.00 0.00 C ATOM 168 C LYS A 541 -2.016 -11.168 -2.383 1.00 0.00 C ATOM 169 O LYS A 541 -1.159 -11.218 -1.502 1.00 0.00 O ATOM 170 CB LYS A 541 -0.682 -11.241 -4.568 1.00 0.00 C ATOM 171 CG LYS A 541 -1.287 -12.507 -5.180 1.00 0.00 C ATOM 172 CD LYS A 541 -0.490 -12.958 -6.405 1.00 0.00 C ATOM 173 CE LYS A 541 0.188 -14.306 -6.152 1.00 0.00 C ATOM 174 NZ LYS A 541 -0.066 -15.234 -7.277 1.00 0.00 N ATOM 0 H LYS A 541 -0.281 -9.013 -3.343 1.00 0.00 H new ATOM 0 HA LYS A 541 -2.638 -10.509 -4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 541 -0.315 -10.589 -5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 541 0.176 -11.506 -3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 541 -1.300 -13.304 -4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 541 -2.322 -12.319 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 541 -1.153 -13.037 -7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 541 0.263 -12.209 -6.650 1.00 0.00 H new ATOM 0 HE2 LYS A 541 1.261 -14.162 -6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 541 -0.186 -14.739 -5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 541 0.401 -16.144 -7.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 541 -1.090 -15.385 -7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 541 0.312 -14.826 -8.156 1.00 0.00 H new ATOM 187 N LYS A 542 -3.238 -11.669 -2.271 1.00 0.00 N ATOM 188 CA LYS A 542 -3.663 -12.338 -1.053 1.00 0.00 C ATOM 189 C LYS A 542 -3.133 -13.773 -1.053 1.00 0.00 C ATOM 190 O LYS A 542 -3.161 -14.449 -2.080 1.00 0.00 O ATOM 191 CB LYS A 542 -5.182 -12.243 -0.892 1.00 0.00 C ATOM 192 CG LYS A 542 -5.716 -13.397 -0.041 1.00 0.00 C ATOM 193 CD LYS A 542 -6.765 -12.902 0.957 1.00 0.00 C ATOM 194 CE LYS A 542 -7.750 -11.942 0.286 1.00 0.00 C ATOM 195 NZ LYS A 542 -9.028 -11.908 1.031 1.00 0.00 N ATOM 0 H LYS A 542 -3.947 -11.625 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 542 -3.241 -11.842 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 542 -5.443 -11.292 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 542 -5.657 -12.259 -1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 542 -6.154 -14.158 -0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 542 -4.893 -13.869 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 542 -7.306 -13.752 1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 542 -6.272 -12.400 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 542 -7.320 -10.941 0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 542 -7.930 -12.256 -0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 542 -9.685 -11.252 0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 542 -9.444 -12.861 1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 542 -8.854 -11.587 2.005 1.00 0.00 H new ATOM 208 N GLY A 543 -2.662 -14.196 0.111 1.00 0.00 N ATOM 209 CA GLY A 543 -2.666 -13.331 1.279 1.00 0.00 C ATOM 210 C GLY A 543 -2.708 -14.152 2.569 1.00 0.00 C ATOM 211 O GLY A 543 -1.901 -15.061 2.758 1.00 0.00 O ATOM 0 H GLY A 543 -2.275 -15.126 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 543 -1.776 -12.702 1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 543 -3.528 -12.665 1.240 1.00 0.00 H new ATOM 215 N PHE A 544 -3.658 -13.803 3.424 1.00 0.00 N ATOM 216 CA PHE A 544 -3.817 -14.496 4.691 1.00 0.00 C ATOM 217 C PHE A 544 -5.289 -14.561 5.101 1.00 0.00 C ATOM 218 O PHE A 544 -5.985 -15.523 4.778 1.00 0.00 O ATOM 219 CB PHE A 544 -3.043 -13.694 5.740 1.00 0.00 C ATOM 220 CG PHE A 544 -1.622 -14.205 5.990 1.00 0.00 C ATOM 221 CD1 PHE A 544 -0.645 -13.975 5.072 1.00 0.00 C ATOM 222 CD2 PHE A 544 -1.336 -14.889 7.130 1.00 0.00 C ATOM 223 CE1 PHE A 544 0.673 -14.448 5.304 1.00 0.00 C ATOM 224 CE2 PHE A 544 -0.018 -15.362 7.362 1.00 0.00 C ATOM 225 CZ PHE A 544 0.959 -15.132 6.444 1.00 0.00 C ATOM 0 H PHE A 544 -4.326 -13.049 3.264 1.00 0.00 H new ATOM 0 HA PHE A 544 -3.447 -15.518 4.604 1.00 0.00 H new ATOM 0 HB2 PHE A 544 -2.993 -12.653 5.422 1.00 0.00 H new ATOM 0 HB3 PHE A 544 -3.596 -13.715 6.679 1.00 0.00 H new ATOM 0 HD1 PHE A 544 -0.872 -13.432 4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 544 -2.112 -15.072 7.859 1.00 0.00 H new ATOM 0 HE1 PHE A 544 1.449 -14.265 4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 544 0.209 -15.905 8.268 1.00 0.00 H new ATOM 0 HZ PHE A 544 1.962 -15.493 6.620 1.00 0.00 H new ATOM 235 N ASN A 545 -5.721 -13.525 5.806 1.00 0.00 N ATOM 236 CA ASN A 545 -7.098 -13.453 6.263 1.00 0.00 C ATOM 237 C ASN A 545 -7.589 -12.007 6.158 1.00 0.00 C ATOM 238 O ASN A 545 -8.521 -11.613 6.859 1.00 0.00 O ATOM 239 CB ASN A 545 -7.217 -13.888 7.724 1.00 0.00 C ATOM 240 CG ASN A 545 -6.907 -15.378 7.879 1.00 0.00 C ATOM 241 OD1 ASN A 545 -7.788 -16.220 7.931 1.00 0.00 O ATOM 242 ND2 ASN A 545 -5.608 -15.656 7.950 1.00 0.00 N ATOM 0 H ASN A 545 -5.141 -12.729 6.072 1.00 0.00 H new ATOM 0 HA ASN A 545 -7.696 -14.118 5.640 1.00 0.00 H new ATOM 0 HB2 ASN A 545 -6.531 -13.304 8.338 1.00 0.00 H new ATOM 0 HB3 ASN A 545 -8.224 -13.683 8.088 1.00 0.00 H new ATOM 0 HD21 ASN A 545 -5.298 -16.622 8.054 1.00 0.00 H new ATOM 0 HD22 ASN A 545 -4.922 -14.903 7.900 1.00 0.00 H new ATOM 249 N SER A 546 -6.942 -11.257 5.279 1.00 0.00 N ATOM 250 CA SER A 546 -7.301 -9.865 5.074 1.00 0.00 C ATOM 251 C SER A 546 -6.548 -8.978 6.069 1.00 0.00 C ATOM 252 O SER A 546 -7.139 -8.462 7.016 1.00 0.00 O ATOM 253 CB SER A 546 -8.811 -9.659 5.217 1.00 0.00 C ATOM 254 OG SER A 546 -9.266 -8.525 4.484 1.00 0.00 O ATOM 0 H SER A 546 -6.170 -11.588 4.700 1.00 0.00 H new ATOM 0 HA SER A 546 -7.017 -9.584 4.060 1.00 0.00 H new ATOM 0 HB2 SER A 546 -9.333 -10.550 4.868 1.00 0.00 H new ATOM 0 HB3 SER A 546 -9.062 -9.535 6.270 1.00 0.00 H new ATOM 0 HG SER A 546 -10.234 -8.428 4.599 1.00 0.00 H new ATOM 260 N PRO A 547 -5.222 -8.825 5.812 1.00 0.00 N ATOM 261 CA PRO A 547 -4.382 -8.010 6.674 1.00 0.00 C ATOM 262 C PRO A 547 -4.635 -6.520 6.435 1.00 0.00 C ATOM 263 O PRO A 547 -5.130 -6.132 5.378 1.00 0.00 O ATOM 264 CB PRO A 547 -2.958 -8.430 6.348 1.00 0.00 C ATOM 265 CG PRO A 547 -3.028 -9.123 4.996 1.00 0.00 C ATOM 266 CD PRO A 547 -4.488 -9.422 4.700 1.00 0.00 C ATOM 0 HA PRO A 547 -4.595 -8.160 7.732 1.00 0.00 H new ATOM 0 HB2 PRO A 547 -2.295 -7.566 6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 547 -2.564 -9.101 7.111 1.00 0.00 H new ATOM 0 HG2 PRO A 547 -2.604 -8.487 4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 547 -2.445 -10.044 5.008 1.00 0.00 H new ATOM 0 HD2 PRO A 547 -4.795 -8.992 3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 547 -4.668 -10.495 4.638 1.00 0.00 H new ATOM 274 N TYR A 548 -4.284 -5.725 7.436 1.00 0.00 N ATOM 275 CA TYR A 548 -4.467 -4.287 7.348 1.00 0.00 C ATOM 276 C TYR A 548 -3.184 -3.598 6.878 1.00 0.00 C ATOM 277 O TYR A 548 -2.084 -4.024 7.226 1.00 0.00 O ATOM 278 CB TYR A 548 -4.795 -3.816 8.767 1.00 0.00 C ATOM 279 CG TYR A 548 -6.287 -3.598 9.021 1.00 0.00 C ATOM 280 CD1 TYR A 548 -6.855 -2.363 8.783 1.00 0.00 C ATOM 281 CD2 TYR A 548 -7.066 -4.637 9.489 1.00 0.00 C ATOM 282 CE1 TYR A 548 -8.260 -2.158 9.023 1.00 0.00 C ATOM 283 CE2 TYR A 548 -8.471 -4.432 9.729 1.00 0.00 C ATOM 284 CZ TYR A 548 -8.999 -3.203 9.484 1.00 0.00 C ATOM 285 OH TYR A 548 -10.326 -3.009 9.710 1.00 0.00 O ATOM 0 H TYR A 548 -3.874 -6.050 8.312 1.00 0.00 H new ATOM 0 HA TYR A 548 -5.254 -4.043 6.634 1.00 0.00 H new ATOM 0 HB2 TYR A 548 -4.419 -4.551 9.479 1.00 0.00 H new ATOM 0 HB3 TYR A 548 -4.264 -2.884 8.961 1.00 0.00 H new ATOM 0 HD1 TYR A 548 -6.246 -1.550 8.417 1.00 0.00 H new ATOM 0 HD2 TYR A 548 -6.622 -5.604 9.675 1.00 0.00 H new ATOM 0 HE1 TYR A 548 -8.717 -1.196 8.841 1.00 0.00 H new ATOM 0 HE2 TYR A 548 -9.092 -5.236 10.095 1.00 0.00 H new ATOM 0 HH TYR A 548 -10.727 -3.841 10.036 1.00 0.00 H new ATOM 295 N ILE A 549 -3.368 -2.545 6.096 1.00 0.00 N ATOM 296 CA ILE A 549 -2.239 -1.794 5.575 1.00 0.00 C ATOM 297 C ILE A 549 -2.282 -0.368 6.127 1.00 0.00 C ATOM 298 O ILE A 549 -3.357 0.210 6.280 1.00 0.00 O ATOM 299 CB ILE A 549 -2.210 -1.861 4.046 1.00 0.00 C ATOM 300 CG1 ILE A 549 -1.538 -0.619 3.456 1.00 0.00 C ATOM 301 CG2 ILE A 549 -3.615 -2.076 3.480 1.00 0.00 C ATOM 302 CD1 ILE A 549 -1.240 -0.813 1.968 1.00 0.00 C ATOM 0 H ILE A 549 -4.282 -2.194 5.810 1.00 0.00 H new ATOM 0 HA ILE A 549 -1.301 -2.237 5.908 1.00 0.00 H new ATOM 0 HB ILE A 549 -1.610 -2.722 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -2.185 0.248 3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -0.612 -0.413 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.566 -2.120 2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -4.022 -3.012 3.863 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -4.259 -1.250 3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -0.763 0.084 1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -0.574 -1.666 1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -2.171 -0.995 1.431 1.00 0.00 H new ATOM 314 N HIS A 550 -1.100 0.159 6.412 1.00 0.00 N ATOM 315 CA HIS A 550 -0.990 1.506 6.944 1.00 0.00 C ATOM 316 C HIS A 550 0.029 2.300 6.124 1.00 0.00 C ATOM 317 O HIS A 550 1.209 1.953 6.090 1.00 0.00 O ATOM 318 CB HIS A 550 -0.655 1.475 8.437 1.00 0.00 C ATOM 319 CG HIS A 550 -0.889 2.787 9.146 1.00 0.00 C ATOM 320 ND1 HIS A 550 -1.519 3.863 8.545 1.00 0.00 N ATOM 321 CD2 HIS A 550 -0.570 3.186 10.411 1.00 0.00 C ATOM 322 CE1 HIS A 550 -1.572 4.858 9.418 1.00 0.00 C ATOM 323 NE2 HIS A 550 -0.983 4.437 10.573 1.00 0.00 N ATOM 0 H HIS A 550 -0.210 -0.323 6.284 1.00 0.00 H new ATOM 0 HA HIS A 550 -1.950 2.015 6.857 1.00 0.00 H new ATOM 0 HB2 HIS A 550 -1.255 0.702 8.918 1.00 0.00 H new ATOM 0 HB3 HIS A 550 0.390 1.189 8.559 1.00 0.00 H new ATOM 0 HD2 HIS A 550 -0.067 2.586 11.155 1.00 0.00 H new ATOM 0 HE1 HIS A 550 -2.006 5.832 9.245 1.00 0.00 H new ATOM 0 HE2 HIS A 550 -0.877 4.992 11.422 1.00 0.00 H new ATOM 331 N TYR A 551 -0.463 3.350 5.484 1.00 0.00 N ATOM 332 CA TYR A 551 0.390 4.196 4.667 1.00 0.00 C ATOM 333 C TYR A 551 0.216 5.671 5.036 1.00 0.00 C ATOM 334 O TYR A 551 -0.780 6.046 5.653 1.00 0.00 O ATOM 335 CB TYR A 551 -0.068 3.987 3.222 1.00 0.00 C ATOM 336 CG TYR A 551 -1.549 3.627 3.085 1.00 0.00 C ATOM 337 CD1 TYR A 551 -2.517 4.567 3.376 1.00 0.00 C ATOM 338 CD2 TYR A 551 -1.916 2.363 2.670 1.00 0.00 C ATOM 339 CE1 TYR A 551 -3.910 4.228 3.247 1.00 0.00 C ATOM 340 CE2 TYR A 551 -3.310 2.025 2.541 1.00 0.00 C ATOM 341 CZ TYR A 551 -4.238 2.974 2.836 1.00 0.00 C ATOM 342 OH TYR A 551 -5.555 2.654 2.714 1.00 0.00 O ATOM 0 H TYR A 551 -1.442 3.634 5.515 1.00 0.00 H new ATOM 0 HA TYR A 551 1.439 3.939 4.815 1.00 0.00 H new ATOM 0 HB2 TYR A 551 0.128 4.896 2.654 1.00 0.00 H new ATOM 0 HB3 TYR A 551 0.531 3.195 2.773 1.00 0.00 H new ATOM 0 HD1 TYR A 551 -2.229 5.556 3.700 1.00 0.00 H new ATOM 0 HD2 TYR A 551 -1.158 1.628 2.442 1.00 0.00 H new ATOM 0 HE1 TYR A 551 -4.678 4.954 3.472 1.00 0.00 H new ATOM 0 HE2 TYR A 551 -3.612 1.040 2.217 1.00 0.00 H new ATOM 0 HH TYR A 551 -5.665 1.983 2.008 1.00 0.00 H new ATOM 352 N ARG A 552 1.199 6.466 4.643 1.00 0.00 N ATOM 353 CA ARG A 552 1.167 7.891 4.925 1.00 0.00 C ATOM 354 C ARG A 552 1.734 8.679 3.742 1.00 0.00 C ATOM 355 O ARG A 552 2.557 8.165 2.986 1.00 0.00 O ATOM 356 CB ARG A 552 1.973 8.223 6.182 1.00 0.00 C ATOM 357 CG ARG A 552 3.173 9.111 5.847 1.00 0.00 C ATOM 358 CD ARG A 552 4.022 9.379 7.091 1.00 0.00 C ATOM 359 NE ARG A 552 5.321 8.679 6.978 1.00 0.00 N ATOM 360 CZ ARG A 552 6.415 8.993 7.703 1.00 0.00 C ATOM 361 NH1 ARG A 552 6.376 10.000 8.602 1.00 0.00 N ATOM 362 NH2 ARG A 552 7.524 8.300 7.521 1.00 0.00 N ATOM 0 H ARG A 552 2.023 6.151 4.131 1.00 0.00 H new ATOM 0 HA ARG A 552 0.127 8.172 5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 552 1.333 8.728 6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 552 2.318 7.301 6.651 1.00 0.00 H new ATOM 0 HG2 ARG A 552 3.783 8.630 5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 552 2.825 10.056 5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 552 4.186 10.451 7.206 1.00 0.00 H new ATOM 0 HD3 ARG A 552 3.493 9.040 7.982 1.00 0.00 H new ATOM 0 HE ARG A 552 5.394 7.911 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 552 5.515 10.530 8.737 1.00 0.00 H new ATOM 0 HH12 ARG A 552 7.208 10.231 9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 552 7.545 7.540 6.841 1.00 0.00 H new ATOM 0 HH22 ARG A 552 8.360 8.524 8.061 1.00 0.00 H new ATOM 375 N PRO A 553 1.259 9.947 3.615 1.00 0.00 N ATOM 376 CA PRO A 553 1.710 10.811 2.538 1.00 0.00 C ATOM 377 C PRO A 553 3.123 11.331 2.806 1.00 0.00 C ATOM 378 O PRO A 553 3.434 11.749 3.921 1.00 0.00 O ATOM 379 CB PRO A 553 0.673 11.921 2.463 1.00 0.00 C ATOM 380 CG PRO A 553 -0.061 11.896 3.794 1.00 0.00 C ATOM 381 CD PRO A 553 0.284 10.590 4.491 1.00 0.00 C ATOM 0 HA PRO A 553 1.785 10.289 1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 553 1.147 12.888 2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 553 -0.016 11.757 1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 553 0.234 12.746 4.409 1.00 0.00 H new ATOM 0 HG3 PRO A 553 -1.137 11.973 3.638 1.00 0.00 H new ATOM 0 HD2 PRO A 553 0.700 10.769 5.483 1.00 0.00 H new ATOM 0 HD3 PRO A 553 -0.600 9.967 4.624 1.00 0.00 H new ATOM 389 N ALA A 554 3.943 11.288 1.766 1.00 0.00 N ATOM 390 CA ALA A 554 5.316 11.750 1.876 1.00 0.00 C ATOM 391 C ALA A 554 5.571 12.244 3.301 1.00 0.00 C ATOM 392 O ALA A 554 5.530 13.445 3.562 1.00 0.00 O ATOM 393 CB ALA A 554 5.576 12.834 0.828 1.00 0.00 C ATOM 0 H ALA A 554 3.683 10.940 0.843 1.00 0.00 H new ATOM 0 HA ALA A 554 6.012 10.934 1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 554 6.606 13.180 0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 554 5.410 12.424 -0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 554 4.897 13.671 0.994 1.00 0.00 H new ATOM 399 N GLY A 555 5.830 11.292 4.186 1.00 0.00 N ATOM 400 CA GLY A 555 6.091 11.615 5.578 1.00 0.00 C ATOM 401 C GLY A 555 5.276 12.831 6.021 1.00 0.00 C ATOM 402 O GLY A 555 5.829 13.908 6.239 1.00 0.00 O ATOM 0 H GLY A 555 5.865 10.297 3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 555 5.844 10.759 6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 555 7.154 11.815 5.715 1.00 0.00 H new ATOM 406 N GLY A 556 3.974 12.618 6.142 1.00 0.00 N ATOM 407 CA GLY A 556 3.076 13.683 6.555 1.00 0.00 C ATOM 408 C GLY A 556 2.245 13.260 7.768 1.00 0.00 C ATOM 409 O GLY A 556 2.690 13.393 8.907 1.00 0.00 O ATOM 0 H GLY A 556 3.519 11.723 5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 556 3.652 14.576 6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 556 2.414 13.946 5.730 1.00 0.00 H new ATOM 413 N SER A 557 1.052 12.759 7.482 1.00 0.00 N ATOM 414 CA SER A 557 0.155 12.315 8.535 1.00 0.00 C ATOM 415 C SER A 557 -0.040 10.800 8.453 1.00 0.00 C ATOM 416 O SER A 557 -0.172 10.246 7.363 1.00 0.00 O ATOM 417 CB SER A 557 -1.195 13.030 8.446 1.00 0.00 C ATOM 418 OG SER A 557 -1.251 13.928 7.341 1.00 0.00 O ATOM 0 H SER A 557 0.686 12.651 6.536 1.00 0.00 H new ATOM 0 HA SER A 557 0.605 12.565 9.496 1.00 0.00 H new ATOM 0 HB2 SER A 557 -1.991 12.291 8.354 1.00 0.00 H new ATOM 0 HB3 SER A 557 -1.376 13.580 9.370 1.00 0.00 H new ATOM 0 HG SER A 557 -2.129 14.363 7.317 1.00 0.00 H new ATOM 424 N TRP A 558 -0.052 10.173 9.620 1.00 0.00 N ATOM 425 CA TRP A 558 -0.229 8.733 9.694 1.00 0.00 C ATOM 426 C TRP A 558 -1.703 8.452 9.991 1.00 0.00 C ATOM 427 O TRP A 558 -2.152 8.605 11.126 1.00 0.00 O ATOM 428 CB TRP A 558 0.717 8.116 10.727 1.00 0.00 C ATOM 429 CG TRP A 558 2.110 7.796 10.182 1.00 0.00 C ATOM 430 CD1 TRP A 558 3.258 8.445 10.419 1.00 0.00 C ATOM 431 CD2 TRP A 558 2.457 6.713 9.294 1.00 0.00 C ATOM 432 NE1 TRP A 558 4.316 7.862 9.751 1.00 0.00 N ATOM 433 CE2 TRP A 558 3.813 6.775 9.045 1.00 0.00 C ATOM 434 CE3 TRP A 558 1.652 5.713 8.720 1.00 0.00 C ATOM 435 CZ2 TRP A 558 4.483 5.867 8.217 1.00 0.00 C ATOM 436 CZ3 TRP A 558 2.337 4.813 7.895 1.00 0.00 C ATOM 437 CH2 TRP A 558 3.702 4.862 7.634 1.00 0.00 C ATOM 0 H TRP A 558 0.058 10.636 10.522 1.00 0.00 H new ATOM 0 HA TRP A 558 0.031 8.264 8.745 1.00 0.00 H new ATOM 0 HB2 TRP A 558 0.816 8.801 11.569 1.00 0.00 H new ATOM 0 HB3 TRP A 558 0.270 7.200 11.113 1.00 0.00 H new ATOM 0 HD1 TRP A 558 3.345 9.315 11.053 1.00 0.00 H new ATOM 0 HE1 TRP A 558 5.288 8.172 9.772 1.00 0.00 H new ATOM 0 HE3 TRP A 558 0.590 5.645 8.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 558 5.546 5.938 8.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 558 1.765 4.025 7.428 1.00 0.00 H new ATOM 0 HH2 TRP A 558 4.157 4.129 6.985 1.00 0.00 H new ATOM 448 N THR A 559 -2.416 8.046 8.950 1.00 0.00 N ATOM 449 CA THR A 559 -3.831 7.742 9.085 1.00 0.00 C ATOM 450 C THR A 559 -4.085 6.942 10.365 1.00 0.00 C ATOM 451 O THR A 559 -3.147 6.455 10.993 1.00 0.00 O ATOM 452 CB THR A 559 -4.282 7.016 7.816 1.00 0.00 C ATOM 453 OG1 THR A 559 -3.889 7.888 6.759 1.00 0.00 O ATOM 454 CG2 THR A 559 -5.805 6.945 7.692 1.00 0.00 C ATOM 0 H THR A 559 -2.040 7.921 8.010 1.00 0.00 H new ATOM 0 HA THR A 559 -4.423 8.652 9.184 1.00 0.00 H new ATOM 0 HB THR A 559 -3.869 6.007 7.809 1.00 0.00 H new ATOM 0 HG1 THR A 559 -4.142 7.493 5.898 1.00 0.00 H new ATOM 0 HG21 THR A 559 -6.071 6.420 6.775 1.00 0.00 H new ATOM 0 HG22 THR A 559 -6.215 6.410 8.548 1.00 0.00 H new ATOM 0 HG23 THR A 559 -6.215 7.954 7.665 1.00 0.00 H new ATOM 462 N ALA A 560 -5.359 6.833 10.713 1.00 0.00 N ATOM 463 CA ALA A 560 -5.748 6.101 11.906 1.00 0.00 C ATOM 464 C ALA A 560 -5.323 4.638 11.763 1.00 0.00 C ATOM 465 O ALA A 560 -5.917 3.888 10.990 1.00 0.00 O ATOM 466 CB ALA A 560 -7.254 6.252 12.128 1.00 0.00 C ATOM 0 H ALA A 560 -6.135 7.239 10.190 1.00 0.00 H new ATOM 0 HA ALA A 560 -5.246 6.505 12.785 1.00 0.00 H new ATOM 0 HB1 ALA A 560 -7.547 5.703 13.023 1.00 0.00 H new ATOM 0 HB2 ALA A 560 -7.499 7.307 12.253 1.00 0.00 H new ATOM 0 HB3 ALA A 560 -7.790 5.854 11.267 1.00 0.00 H new ATOM 472 N ALA A 561 -4.299 4.277 12.521 1.00 0.00 N ATOM 473 CA ALA A 561 -3.787 2.917 12.489 1.00 0.00 C ATOM 474 C ALA A 561 -4.807 1.978 13.136 1.00 0.00 C ATOM 475 O ALA A 561 -5.330 2.268 14.211 1.00 0.00 O ATOM 476 CB ALA A 561 -2.425 2.867 13.184 1.00 0.00 C ATOM 0 H ALA A 561 -3.810 4.902 13.161 1.00 0.00 H new ATOM 0 HA ALA A 561 -3.640 2.586 11.461 1.00 0.00 H new ATOM 0 HB1 ALA A 561 -2.041 1.847 13.160 1.00 0.00 H new ATOM 0 HB2 ALA A 561 -1.729 3.529 12.669 1.00 0.00 H new ATOM 0 HB3 ALA A 561 -2.533 3.190 14.220 1.00 0.00 H new ATOM 482 N PRO A 562 -5.066 0.841 12.436 1.00 0.00 N ATOM 483 CA PRO A 562 -4.404 0.573 11.171 1.00 0.00 C ATOM 484 C PRO A 562 -4.990 1.437 10.052 1.00 0.00 C ATOM 485 O PRO A 562 -6.189 1.709 10.036 1.00 0.00 O ATOM 486 CB PRO A 562 -4.595 -0.916 10.933 1.00 0.00 C ATOM 487 CG PRO A 562 -5.747 -1.336 11.831 1.00 0.00 C ATOM 488 CD PRO A 562 -5.993 -0.216 12.829 1.00 0.00 C ATOM 0 HA PRO A 562 -3.344 0.826 11.190 1.00 0.00 H new ATOM 0 HB2 PRO A 562 -4.822 -1.118 9.886 1.00 0.00 H new ATOM 0 HB3 PRO A 562 -3.688 -1.470 11.176 1.00 0.00 H new ATOM 0 HG2 PRO A 562 -6.643 -1.524 11.240 1.00 0.00 H new ATOM 0 HG3 PRO A 562 -5.507 -2.264 12.350 1.00 0.00 H new ATOM 0 HD2 PRO A 562 -7.026 0.129 12.790 1.00 0.00 H new ATOM 0 HD3 PRO A 562 -5.806 -0.547 13.850 1.00 0.00 H new ATOM 496 N GLY A 563 -4.116 1.844 9.143 1.00 0.00 N ATOM 497 CA GLY A 563 -4.532 2.672 8.023 1.00 0.00 C ATOM 498 C GLY A 563 -5.904 2.240 7.502 1.00 0.00 C ATOM 499 O GLY A 563 -6.932 2.622 8.060 1.00 0.00 O ATOM 0 H GLY A 563 -3.122 1.616 9.159 1.00 0.00 H new ATOM 0 HA2 GLY A 563 -4.569 3.717 8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 563 -3.796 2.603 7.222 1.00 0.00 H new ATOM 503 N VAL A 564 -5.877 1.450 6.439 1.00 0.00 N ATOM 504 CA VAL A 564 -7.106 0.963 5.837 1.00 0.00 C ATOM 505 C VAL A 564 -6.947 -0.520 5.492 1.00 0.00 C ATOM 506 O VAL A 564 -5.829 -1.009 5.341 1.00 0.00 O ATOM 507 CB VAL A 564 -7.472 1.822 4.625 1.00 0.00 C ATOM 508 CG1 VAL A 564 -8.982 1.808 4.379 1.00 0.00 C ATOM 509 CG2 VAL A 564 -6.957 3.253 4.792 1.00 0.00 C ATOM 0 H VAL A 564 -5.023 1.135 5.979 1.00 0.00 H new ATOM 0 HA VAL A 564 -7.935 1.047 6.540 1.00 0.00 H new ATOM 0 HB VAL A 564 -6.986 1.391 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 564 -9.215 2.426 3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 564 -9.311 0.785 4.195 1.00 0.00 H new ATOM 0 HG13 VAL A 564 -9.497 2.202 5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 564 -7.230 3.843 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 564 -7.401 3.698 5.682 1.00 0.00 H new ATOM 0 HG23 VAL A 564 -5.872 3.239 4.896 1.00 0.00 H new ATOM 519 N LYS A 565 -8.082 -1.193 5.378 1.00 0.00 N ATOM 520 CA LYS A 565 -8.083 -2.609 5.054 1.00 0.00 C ATOM 521 C LYS A 565 -8.055 -2.780 3.533 1.00 0.00 C ATOM 522 O LYS A 565 -8.950 -2.305 2.835 1.00 0.00 O ATOM 523 CB LYS A 565 -9.262 -3.313 5.730 1.00 0.00 C ATOM 524 CG LYS A 565 -9.302 -4.796 5.357 1.00 0.00 C ATOM 525 CD LYS A 565 -10.256 -5.042 4.187 1.00 0.00 C ATOM 526 CE LYS A 565 -11.612 -5.549 4.682 1.00 0.00 C ATOM 527 NZ LYS A 565 -12.276 -6.358 3.635 1.00 0.00 N ATOM 0 H LYS A 565 -9.008 -0.784 5.504 1.00 0.00 H new ATOM 0 HA LYS A 565 -7.187 -3.090 5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -9.181 -3.209 6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -10.195 -2.834 5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -8.301 -5.135 5.092 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -9.619 -5.383 6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -10.392 -4.119 3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -9.819 -5.770 3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -11.476 -6.149 5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -12.245 -4.705 4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -13.195 -6.694 3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -12.423 -5.775 2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -11.677 -7.174 3.395 1.00 0.00 H new ATOM 540 N MET A 566 -7.019 -3.460 3.065 1.00 0.00 N ATOM 541 CA MET A 566 -6.863 -3.700 1.641 1.00 0.00 C ATOM 542 C MET A 566 -8.224 -3.833 0.955 1.00 0.00 C ATOM 543 O MET A 566 -9.009 -4.718 1.292 1.00 0.00 O ATOM 544 CB MET A 566 -6.054 -4.980 1.424 1.00 0.00 C ATOM 545 CG MET A 566 -4.556 -4.678 1.361 1.00 0.00 C ATOM 546 SD MET A 566 -4.109 -4.143 -0.282 1.00 0.00 S ATOM 547 CE MET A 566 -2.500 -3.443 0.047 1.00 0.00 C ATOM 0 H MET A 566 -6.279 -3.852 3.647 1.00 0.00 H new ATOM 0 HA MET A 566 -6.339 -2.850 1.204 1.00 0.00 H new ATOM 0 HB2 MET A 566 -6.253 -5.682 2.234 1.00 0.00 H new ATOM 0 HB3 MET A 566 -6.371 -5.462 0.499 1.00 0.00 H new ATOM 0 HG2 MET A 566 -4.302 -3.905 2.086 1.00 0.00 H new ATOM 0 HG3 MET A 566 -3.986 -5.567 1.630 1.00 0.00 H new ATOM 0 HE1 MET A 566 -1.894 -3.484 -0.858 1.00 0.00 H new ATOM 0 HE2 MET A 566 -2.612 -2.406 0.362 1.00 0.00 H new ATOM 0 HE3 MET A 566 -2.011 -4.012 0.838 1.00 0.00 H new ATOM 557 N GLN A 567 -8.462 -2.941 0.005 1.00 0.00 N ATOM 558 CA GLN A 567 -9.715 -2.948 -0.732 1.00 0.00 C ATOM 559 C GLN A 567 -9.611 -3.873 -1.946 1.00 0.00 C ATOM 560 O GLN A 567 -8.812 -3.631 -2.849 1.00 0.00 O ATOM 561 CB GLN A 567 -10.111 -1.532 -1.153 1.00 0.00 C ATOM 562 CG GLN A 567 -11.430 -1.115 -0.500 1.00 0.00 C ATOM 563 CD GLN A 567 -11.408 0.367 -0.119 1.00 0.00 C ATOM 564 OE1 GLN A 567 -10.415 0.899 0.349 1.00 0.00 O ATOM 565 NE2 GLN A 567 -12.556 1.000 -0.343 1.00 0.00 N ATOM 0 H GLN A 567 -7.809 -2.208 -0.272 1.00 0.00 H new ATOM 0 HA GLN A 567 -10.498 -3.328 -0.076 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -9.324 -0.832 -0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -10.207 -1.485 -2.238 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -12.256 -1.306 -1.185 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -11.607 -1.720 0.389 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -13.349 0.494 -0.737 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -12.643 1.992 -0.120 1.00 0.00 H new ATOM 574 N ASP A 568 -10.431 -4.914 -1.929 1.00 0.00 N ATOM 575 CA ASP A 568 -10.442 -5.876 -3.018 1.00 0.00 C ATOM 576 C ASP A 568 -10.353 -5.132 -4.352 1.00 0.00 C ATOM 577 O ASP A 568 -10.881 -4.029 -4.487 1.00 0.00 O ATOM 578 CB ASP A 568 -11.735 -6.694 -3.018 1.00 0.00 C ATOM 579 CG ASP A 568 -11.543 -8.208 -2.908 1.00 0.00 C ATOM 580 OD1 ASP A 568 -11.896 -8.965 -3.824 1.00 0.00 O ATOM 581 OD2 ASP A 568 -10.997 -8.610 -1.810 1.00 0.00 O ATOM 0 H ASP A 568 -11.092 -5.112 -1.178 1.00 0.00 H new ATOM 0 HA ASP A 568 -9.592 -6.545 -2.884 1.00 0.00 H new ATOM 0 HB2 ASP A 568 -12.358 -6.361 -2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 568 -12.284 -6.478 -3.935 1.00 0.00 H new ATOM 587 N ALA A 569 -9.682 -5.764 -5.303 1.00 0.00 N ATOM 588 CA ALA A 569 -9.517 -5.176 -6.621 1.00 0.00 C ATOM 589 C ALA A 569 -10.701 -5.575 -7.504 1.00 0.00 C ATOM 590 O ALA A 569 -11.818 -5.740 -7.015 1.00 0.00 O ATOM 591 CB ALA A 569 -8.175 -5.613 -7.211 1.00 0.00 C ATOM 0 H ALA A 569 -9.246 -6.679 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 569 -9.505 -4.088 -6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 569 -8.051 -5.172 -8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 569 -7.366 -5.280 -6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 569 -8.150 -6.700 -7.293 1.00 0.00 H new ATOM 597 N GLU A 570 -10.416 -5.720 -8.790 1.00 0.00 N ATOM 598 CA GLU A 570 -11.443 -6.097 -9.746 1.00 0.00 C ATOM 599 C GLU A 570 -11.006 -7.333 -10.535 1.00 0.00 C ATOM 600 O GLU A 570 -11.669 -7.731 -11.491 1.00 0.00 O ATOM 601 CB GLU A 570 -11.771 -4.935 -10.686 1.00 0.00 C ATOM 602 CG GLU A 570 -10.556 -4.558 -11.536 1.00 0.00 C ATOM 603 CD GLU A 570 -10.933 -3.532 -12.607 1.00 0.00 C ATOM 604 OE1 GLU A 570 -11.542 -2.499 -12.289 1.00 0.00 O ATOM 605 OE2 GLU A 570 -10.570 -3.837 -13.806 1.00 0.00 O ATOM 0 H GLU A 570 -9.489 -5.583 -9.192 1.00 0.00 H new ATOM 0 HA GLU A 570 -12.351 -6.343 -9.195 1.00 0.00 H new ATOM 0 HB2 GLU A 570 -12.602 -5.211 -11.335 1.00 0.00 H new ATOM 0 HB3 GLU A 570 -12.094 -4.072 -10.104 1.00 0.00 H new ATOM 0 HG2 GLU A 570 -9.773 -4.151 -10.897 1.00 0.00 H new ATOM 0 HG3 GLU A 570 -10.148 -5.451 -12.010 1.00 0.00 H new ATOM 613 N ILE A 571 -9.892 -7.908 -10.104 1.00 0.00 N ATOM 614 CA ILE A 571 -9.359 -9.090 -10.758 1.00 0.00 C ATOM 615 C ILE A 571 -10.126 -10.324 -10.276 1.00 0.00 C ATOM 616 O ILE A 571 -11.087 -10.750 -10.915 1.00 0.00 O ATOM 617 CB ILE A 571 -7.847 -9.185 -10.544 1.00 0.00 C ATOM 618 CG1 ILE A 571 -7.138 -7.940 -11.082 1.00 0.00 C ATOM 619 CG2 ILE A 571 -7.286 -10.472 -11.152 1.00 0.00 C ATOM 620 CD1 ILE A 571 -6.908 -8.050 -12.591 1.00 0.00 C ATOM 0 H ILE A 571 -9.345 -7.577 -9.310 1.00 0.00 H new ATOM 0 HA ILE A 571 -9.502 -9.025 -11.837 1.00 0.00 H new ATOM 0 HB ILE A 571 -7.656 -9.226 -9.472 1.00 0.00 H new ATOM 0 HG12 ILE A 571 -7.735 -7.054 -10.865 1.00 0.00 H new ATOM 0 HG13 ILE A 571 -6.183 -7.813 -10.573 1.00 0.00 H new ATOM 0 HG21 ILE A 571 -6.210 -10.514 -10.986 1.00 0.00 H new ATOM 0 HG22 ILE A 571 -7.760 -11.333 -10.681 1.00 0.00 H new ATOM 0 HG23 ILE A 571 -7.488 -10.487 -12.223 1.00 0.00 H new ATOM 0 HD11 ILE A 571 -6.403 -7.153 -12.948 1.00 0.00 H new ATOM 0 HD12 ILE A 571 -6.290 -8.923 -12.802 1.00 0.00 H new ATOM 0 HD13 ILE A 571 -7.867 -8.153 -13.099 1.00 0.00 H new ATOM 632 N SER A 572 -9.673 -10.862 -9.154 1.00 0.00 N ATOM 633 CA SER A 572 -10.305 -12.038 -8.580 1.00 0.00 C ATOM 634 C SER A 572 -9.434 -12.604 -7.457 1.00 0.00 C ATOM 635 O SER A 572 -8.529 -13.398 -7.708 1.00 0.00 O ATOM 636 CB SER A 572 -10.555 -13.105 -9.647 1.00 0.00 C ATOM 637 OG SER A 572 -11.943 -13.389 -9.802 1.00 0.00 O ATOM 0 H SER A 572 -8.876 -10.506 -8.627 1.00 0.00 H new ATOM 0 HA SER A 572 -11.270 -11.742 -8.169 1.00 0.00 H new ATOM 0 HB2 SER A 572 -10.145 -12.769 -10.599 1.00 0.00 H new ATOM 0 HB3 SER A 572 -10.026 -14.019 -9.377 1.00 0.00 H new ATOM 0 HG SER A 572 -12.375 -12.656 -10.288 1.00 0.00 H new ATOM 643 N GLY A 573 -9.738 -12.174 -6.241 1.00 0.00 N ATOM 644 CA GLY A 573 -8.994 -12.628 -5.078 1.00 0.00 C ATOM 645 C GLY A 573 -7.811 -11.702 -4.788 1.00 0.00 C ATOM 646 O GLY A 573 -6.967 -12.011 -3.948 1.00 0.00 O ATOM 0 H GLY A 573 -10.490 -11.516 -6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 573 -9.654 -12.663 -4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 573 -8.633 -13.643 -5.246 1.00 0.00 H new ATOM 650 N TYR A 574 -7.787 -10.584 -5.499 1.00 0.00 N ATOM 651 CA TYR A 574 -6.722 -9.610 -5.328 1.00 0.00 C ATOM 652 C TYR A 574 -7.207 -8.403 -4.523 1.00 0.00 C ATOM 653 O TYR A 574 -8.405 -8.129 -4.468 1.00 0.00 O ATOM 654 CB TYR A 574 -6.342 -9.150 -6.736 1.00 0.00 C ATOM 655 CG TYR A 574 -4.848 -9.265 -7.047 1.00 0.00 C ATOM 656 CD1 TYR A 574 -3.968 -8.319 -6.564 1.00 0.00 C ATOM 657 CD2 TYR A 574 -4.381 -10.316 -7.809 1.00 0.00 C ATOM 658 CE1 TYR A 574 -2.562 -8.427 -6.855 1.00 0.00 C ATOM 659 CE2 TYR A 574 -2.975 -10.425 -8.101 1.00 0.00 C ATOM 660 CZ TYR A 574 -2.135 -9.475 -7.610 1.00 0.00 C ATOM 661 OH TYR A 574 -0.807 -9.578 -7.885 1.00 0.00 O ATOM 0 H TYR A 574 -8.488 -10.331 -6.195 1.00 0.00 H new ATOM 0 HA TYR A 574 -5.882 -10.050 -4.791 1.00 0.00 H new ATOM 0 HB2 TYR A 574 -6.900 -9.740 -7.463 1.00 0.00 H new ATOM 0 HB3 TYR A 574 -6.650 -8.112 -6.864 1.00 0.00 H new ATOM 0 HD1 TYR A 574 -4.334 -7.497 -5.967 1.00 0.00 H new ATOM 0 HD2 TYR A 574 -5.070 -11.057 -8.187 1.00 0.00 H new ATOM 0 HE1 TYR A 574 -1.863 -7.693 -6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 574 -2.596 -11.243 -8.696 1.00 0.00 H new ATOM 0 HH TYR A 574 -0.647 -10.375 -8.432 1.00 0.00 H new ATOM 671 N ALA A 575 -6.251 -7.713 -3.919 1.00 0.00 N ATOM 672 CA ALA A 575 -6.566 -6.541 -3.119 1.00 0.00 C ATOM 673 C ALA A 575 -5.894 -5.312 -3.736 1.00 0.00 C ATOM 674 O ALA A 575 -4.890 -5.436 -4.436 1.00 0.00 O ATOM 675 CB ALA A 575 -6.131 -6.778 -1.672 1.00 0.00 C ATOM 0 H ALA A 575 -5.258 -7.943 -3.967 1.00 0.00 H new ATOM 0 HA ALA A 575 -7.641 -6.360 -3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 575 -6.367 -5.899 -1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 575 -6.658 -7.643 -1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 575 -5.057 -6.961 -1.640 1.00 0.00 H new ATOM 681 N LYS A 576 -6.474 -4.155 -3.454 1.00 0.00 N ATOM 682 CA LYS A 576 -5.944 -2.906 -3.973 1.00 0.00 C ATOM 683 C LYS A 576 -6.344 -1.761 -3.040 1.00 0.00 C ATOM 684 O LYS A 576 -7.416 -1.792 -2.438 1.00 0.00 O ATOM 685 CB LYS A 576 -6.383 -2.699 -5.424 1.00 0.00 C ATOM 686 CG LYS A 576 -7.810 -2.152 -5.492 1.00 0.00 C ATOM 687 CD LYS A 576 -8.166 -1.725 -6.918 1.00 0.00 C ATOM 688 CE LYS A 576 -8.522 -0.239 -6.972 1.00 0.00 C ATOM 689 NZ LYS A 576 -9.773 0.022 -6.226 1.00 0.00 N ATOM 0 H LYS A 576 -7.306 -4.056 -2.872 1.00 0.00 H new ATOM 0 HA LYS A 576 -4.855 -2.934 -3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 576 -5.701 -2.008 -5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 576 -6.326 -3.644 -5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 576 -8.512 -2.913 -5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 576 -7.910 -1.301 -4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 576 -7.325 -1.926 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 576 -9.006 -2.317 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 576 -7.709 0.351 -6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 576 -8.638 0.076 -8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 576 -10.155 0.949 -6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 576 -10.469 -0.719 -6.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 576 -9.575 0.019 -5.205 1.00 0.00 H new ATOM 702 N ILE A 577 -5.460 -0.778 -2.949 1.00 0.00 N ATOM 703 CA ILE A 577 -5.708 0.375 -2.099 1.00 0.00 C ATOM 704 C ILE A 577 -5.351 1.651 -2.863 1.00 0.00 C ATOM 705 O ILE A 577 -4.440 1.650 -3.690 1.00 0.00 O ATOM 706 CB ILE A 577 -4.968 0.227 -0.768 1.00 0.00 C ATOM 707 CG1 ILE A 577 -3.783 1.193 -0.689 1.00 0.00 C ATOM 708 CG2 ILE A 577 -4.542 -1.223 -0.535 1.00 0.00 C ATOM 709 CD1 ILE A 577 -2.820 0.974 -1.857 1.00 0.00 C ATOM 0 H ILE A 577 -4.571 -0.756 -3.449 1.00 0.00 H new ATOM 0 HA ILE A 577 -6.766 0.441 -1.844 1.00 0.00 H new ATOM 0 HB ILE A 577 -5.655 0.493 0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 577 -4.146 2.221 -0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 577 -3.255 1.051 0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 577 -4.018 -1.300 0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 577 -5.424 -1.863 -0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 577 -3.879 -1.541 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 577 -1.987 1.673 -1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 577 -2.441 -0.048 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 577 -3.345 1.141 -2.798 1.00 0.00 H new ATOM 721 N THR A 578 -6.087 2.710 -2.559 1.00 0.00 N ATOM 722 CA THR A 578 -5.860 3.991 -3.206 1.00 0.00 C ATOM 723 C THR A 578 -5.675 5.092 -2.160 1.00 0.00 C ATOM 724 O THR A 578 -6.472 5.211 -1.231 1.00 0.00 O ATOM 725 CB THR A 578 -7.026 4.251 -4.162 1.00 0.00 C ATOM 726 OG1 THR A 578 -7.263 2.985 -4.773 1.00 0.00 O ATOM 727 CG2 THR A 578 -6.635 5.160 -5.329 1.00 0.00 C ATOM 0 H THR A 578 -6.842 2.707 -1.873 1.00 0.00 H new ATOM 0 HA THR A 578 -4.939 3.982 -3.789 1.00 0.00 H new ATOM 0 HB THR A 578 -7.852 4.701 -3.612 1.00 0.00 H new ATOM 0 HG1 THR A 578 -8.006 3.062 -5.408 1.00 0.00 H new ATOM 0 HG21 THR A 578 -7.498 5.312 -5.977 1.00 0.00 H new ATOM 0 HG22 THR A 578 -6.297 6.122 -4.944 1.00 0.00 H new ATOM 0 HG23 THR A 578 -5.831 4.694 -5.899 1.00 0.00 H new ATOM 735 N VAL A 579 -4.618 5.869 -2.347 1.00 0.00 N ATOM 736 CA VAL A 579 -4.318 6.956 -1.431 1.00 0.00 C ATOM 737 C VAL A 579 -4.081 8.240 -2.229 1.00 0.00 C ATOM 738 O VAL A 579 -3.291 8.251 -3.172 1.00 0.00 O ATOM 739 CB VAL A 579 -3.132 6.578 -0.540 1.00 0.00 C ATOM 740 CG1 VAL A 579 -3.092 7.449 0.717 1.00 0.00 C ATOM 741 CG2 VAL A 579 -3.171 5.093 -0.178 1.00 0.00 C ATOM 0 H VAL A 579 -3.959 5.767 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 579 -5.162 7.138 -0.766 1.00 0.00 H new ATOM 0 HB VAL A 579 -2.217 6.761 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 579 -2.240 7.160 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 579 -2.994 8.496 0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 579 -4.013 7.312 1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 579 -2.318 4.850 0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 579 -4.095 4.873 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 579 -3.129 4.495 -1.089 1.00 0.00 H new ATOM 751 N ASP A 580 -4.779 9.290 -1.823 1.00 0.00 N ATOM 752 CA ASP A 580 -4.654 10.575 -2.489 1.00 0.00 C ATOM 753 C ASP A 580 -3.381 11.272 -2.007 1.00 0.00 C ATOM 754 O ASP A 580 -3.038 11.202 -0.828 1.00 0.00 O ATOM 755 CB ASP A 580 -5.842 11.482 -2.163 1.00 0.00 C ATOM 756 CG ASP A 580 -6.479 11.246 -0.792 1.00 0.00 C ATOM 757 OD1 ASP A 580 -7.299 10.332 -0.617 1.00 0.00 O ATOM 758 OD2 ASP A 580 -6.097 12.059 0.134 1.00 0.00 O ATOM 0 H ASP A 580 -5.433 9.277 -1.041 1.00 0.00 H new ATOM 0 HA ASP A 580 -4.621 10.396 -3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 580 -5.514 12.520 -2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 580 -6.605 11.346 -2.930 1.00 0.00 H new ATOM 764 N ILE A 581 -2.714 11.931 -2.944 1.00 0.00 N ATOM 765 CA ILE A 581 -1.486 12.641 -2.630 1.00 0.00 C ATOM 766 C ILE A 581 -1.417 13.924 -3.460 1.00 0.00 C ATOM 767 O ILE A 581 -0.436 14.161 -4.163 1.00 0.00 O ATOM 768 CB ILE A 581 -0.275 11.724 -2.813 1.00 0.00 C ATOM 769 CG1 ILE A 581 -0.128 11.296 -4.275 1.00 0.00 C ATOM 770 CG2 ILE A 581 -0.349 10.522 -1.869 1.00 0.00 C ATOM 771 CD1 ILE A 581 1.155 10.489 -4.484 1.00 0.00 C ATOM 0 H ILE A 581 -3.001 11.988 -3.921 1.00 0.00 H new ATOM 0 HA ILE A 581 -1.476 12.939 -1.581 1.00 0.00 H new ATOM 0 HB ILE A 581 0.621 12.285 -2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 581 -0.990 10.698 -4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 581 -0.116 12.177 -4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 581 0.524 9.887 -2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 581 -0.370 10.871 -0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 581 -1.254 9.951 -2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 581 1.235 10.197 -5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 581 2.017 11.098 -4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 581 1.129 9.596 -3.860 1.00 0.00 H new ATOM 783 N GLY A 582 -2.472 14.719 -3.351 1.00 0.00 N ATOM 784 CA GLY A 582 -2.543 15.972 -4.083 1.00 0.00 C ATOM 785 C GLY A 582 -1.515 16.974 -3.555 1.00 0.00 C ATOM 786 O GLY A 582 -1.875 18.065 -3.114 1.00 0.00 O ATOM 0 H GLY A 582 -3.284 14.519 -2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -2.366 15.789 -5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -3.545 16.393 -3.995 1.00 0.00 H new ATOM 790 N SER A 583 -0.255 16.569 -3.618 1.00 0.00 N ATOM 791 CA SER A 583 0.829 17.418 -3.153 1.00 0.00 C ATOM 792 C SER A 583 2.071 16.572 -2.867 1.00 0.00 C ATOM 793 O SER A 583 3.192 17.076 -2.909 1.00 0.00 O ATOM 794 CB SER A 583 0.419 18.197 -1.901 1.00 0.00 C ATOM 795 OG SER A 583 -0.369 17.408 -1.015 1.00 0.00 O ATOM 0 H SER A 583 0.040 15.664 -3.984 1.00 0.00 H new ATOM 0 HA SER A 583 1.060 18.138 -3.938 1.00 0.00 H new ATOM 0 HB2 SER A 583 1.312 18.543 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 583 -0.143 19.084 -2.194 1.00 0.00 H new ATOM 0 HG SER A 583 -0.609 17.941 -0.228 1.00 0.00 H new ATOM 801 N ALA A 584 1.830 15.300 -2.585 1.00 0.00 N ATOM 802 CA ALA A 584 2.915 14.380 -2.293 1.00 0.00 C ATOM 803 C ALA A 584 3.265 13.593 -3.558 1.00 0.00 C ATOM 804 O ALA A 584 2.378 13.206 -4.317 1.00 0.00 O ATOM 805 CB ALA A 584 2.514 13.468 -1.132 1.00 0.00 C ATOM 0 H ALA A 584 0.899 14.885 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 584 3.807 14.925 -1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 584 3.329 12.778 -0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 584 2.304 14.073 -0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 584 1.623 12.903 -1.404 1.00 0.00 H new ATOM 811 N SER A 585 4.559 13.381 -3.745 1.00 0.00 N ATOM 812 CA SER A 585 5.037 12.647 -4.905 1.00 0.00 C ATOM 813 C SER A 585 5.432 11.226 -4.499 1.00 0.00 C ATOM 814 O SER A 585 5.801 10.415 -5.347 1.00 0.00 O ATOM 815 CB SER A 585 6.222 13.362 -5.558 1.00 0.00 C ATOM 816 OG SER A 585 6.032 13.540 -6.959 1.00 0.00 O ATOM 0 H SER A 585 5.292 13.704 -3.113 1.00 0.00 H new ATOM 0 HA SER A 585 4.230 12.597 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A 585 6.364 14.334 -5.085 1.00 0.00 H new ATOM 0 HB3 SER A 585 7.132 12.787 -5.386 1.00 0.00 H new ATOM 0 HG SER A 585 6.809 14.001 -7.338 1.00 0.00 H new ATOM 822 N GLN A 586 5.342 10.968 -3.202 1.00 0.00 N ATOM 823 CA GLN A 586 5.686 9.659 -2.674 1.00 0.00 C ATOM 824 C GLN A 586 4.879 9.370 -1.406 1.00 0.00 C ATOM 825 O GLN A 586 4.706 10.249 -0.563 1.00 0.00 O ATOM 826 CB GLN A 586 7.188 9.554 -2.404 1.00 0.00 C ATOM 827 CG GLN A 586 7.890 8.764 -3.511 1.00 0.00 C ATOM 828 CD GLN A 586 9.360 9.172 -3.628 1.00 0.00 C ATOM 829 OE1 GLN A 586 9.714 10.338 -3.570 1.00 0.00 O ATOM 830 NE2 GLN A 586 10.193 8.149 -3.794 1.00 0.00 N ATOM 0 H GLN A 586 5.036 11.643 -2.502 1.00 0.00 H new ATOM 0 HA GLN A 586 5.432 8.908 -3.422 1.00 0.00 H new ATOM 0 HB2 GLN A 586 7.619 10.553 -2.335 1.00 0.00 H new ATOM 0 HB3 GLN A 586 7.355 9.068 -1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 586 7.821 7.697 -3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 586 7.385 8.935 -4.461 1.00 0.00 H new ATOM 0 HE21 GLN A 586 9.830 7.197 -3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 586 11.195 8.317 -3.881 1.00 0.00 H new ATOM 839 N LEU A 587 4.408 8.136 -1.312 1.00 0.00 N ATOM 840 CA LEU A 587 3.624 7.720 -0.161 1.00 0.00 C ATOM 841 C LEU A 587 4.141 6.371 0.342 1.00 0.00 C ATOM 842 O LEU A 587 4.368 5.455 -0.448 1.00 0.00 O ATOM 843 CB LEU A 587 2.132 7.719 -0.501 1.00 0.00 C ATOM 844 CG LEU A 587 1.220 6.988 0.486 1.00 0.00 C ATOM 845 CD1 LEU A 587 -0.043 7.802 0.772 1.00 0.00 C ATOM 846 CD2 LEU A 587 0.892 5.579 -0.012 1.00 0.00 C ATOM 0 H LEU A 587 4.554 7.410 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 587 3.740 8.431 0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 587 1.796 8.753 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 587 2.004 7.269 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 587 1.755 6.881 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 587 -0.674 7.260 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 587 0.234 8.765 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 587 -0.591 7.962 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 587 0.242 5.081 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 587 0.385 5.642 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 587 1.814 5.009 -0.124 1.00 0.00 H new ATOM 858 N GLU A 588 4.311 6.290 1.654 1.00 0.00 N ATOM 859 CA GLU A 588 4.797 5.068 2.271 1.00 0.00 C ATOM 860 C GLU A 588 3.622 4.210 2.745 1.00 0.00 C ATOM 861 O GLU A 588 2.618 4.735 3.224 1.00 0.00 O ATOM 862 CB GLU A 588 5.750 5.379 3.427 1.00 0.00 C ATOM 863 CG GLU A 588 5.176 6.470 4.333 1.00 0.00 C ATOM 864 CD GLU A 588 5.756 7.840 3.978 1.00 0.00 C ATOM 865 OE1 GLU A 588 5.274 8.493 3.040 1.00 0.00 O ATOM 866 OE2 GLU A 588 6.743 8.222 4.715 1.00 0.00 O ATOM 0 H GLU A 588 4.121 7.051 2.306 1.00 0.00 H new ATOM 0 HA GLU A 588 5.356 4.504 1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 588 5.929 4.475 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 588 6.714 5.699 3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 588 4.091 6.495 4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 588 5.397 6.236 5.374 1.00 0.00 H new ATOM 874 N ALA A 589 3.787 2.903 2.595 1.00 0.00 N ATOM 875 CA ALA A 589 2.752 1.967 3.002 1.00 0.00 C ATOM 876 C ALA A 589 3.401 0.766 3.692 1.00 0.00 C ATOM 877 O ALA A 589 4.439 0.276 3.248 1.00 0.00 O ATOM 878 CB ALA A 589 1.923 1.562 1.782 1.00 0.00 C ATOM 0 H ALA A 589 4.621 2.471 2.198 1.00 0.00 H new ATOM 0 HA ALA A 589 2.073 2.431 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 589 1.147 0.860 2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 589 1.461 2.448 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 589 2.570 1.089 1.043 1.00 0.00 H new ATOM 884 N ALA A 590 2.762 0.325 4.765 1.00 0.00 N ATOM 885 CA ALA A 590 3.264 -0.811 5.521 1.00 0.00 C ATOM 886 C ALA A 590 2.199 -1.909 5.549 1.00 0.00 C ATOM 887 O ALA A 590 1.025 -1.648 5.294 1.00 0.00 O ATOM 888 CB ALA A 590 3.666 -0.353 6.924 1.00 0.00 C ATOM 0 H ALA A 590 1.901 0.733 5.129 1.00 0.00 H new ATOM 0 HA ALA A 590 4.153 -1.226 5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 590 4.042 -1.205 7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 590 4.445 0.406 6.850 1.00 0.00 H new ATOM 0 HB3 ALA A 590 2.798 0.066 7.433 1.00 0.00 H new ATOM 894 N PHE A 591 2.648 -3.116 5.862 1.00 0.00 N ATOM 895 CA PHE A 591 1.749 -4.256 5.927 1.00 0.00 C ATOM 896 C PHE A 591 1.786 -4.905 7.312 1.00 0.00 C ATOM 897 O PHE A 591 2.859 -5.205 7.833 1.00 0.00 O ATOM 898 CB PHE A 591 2.236 -5.269 4.889 1.00 0.00 C ATOM 899 CG PHE A 591 2.838 -4.634 3.634 1.00 0.00 C ATOM 900 CD1 PHE A 591 2.040 -3.960 2.763 1.00 0.00 C ATOM 901 CD2 PHE A 591 4.172 -4.743 3.390 1.00 0.00 C ATOM 902 CE1 PHE A 591 2.600 -3.371 1.598 1.00 0.00 C ATOM 903 CE2 PHE A 591 4.731 -4.154 2.225 1.00 0.00 C ATOM 904 CZ PHE A 591 3.933 -3.480 1.354 1.00 0.00 C ATOM 0 H PHE A 591 3.623 -3.329 6.073 1.00 0.00 H new ATOM 0 HA PHE A 591 0.726 -3.935 5.733 1.00 0.00 H new ATOM 0 HB2 PHE A 591 2.982 -5.916 5.350 1.00 0.00 H new ATOM 0 HB3 PHE A 591 1.400 -5.905 4.597 1.00 0.00 H new ATOM 0 HD1 PHE A 591 0.981 -3.873 2.957 1.00 0.00 H new ATOM 0 HD2 PHE A 591 4.806 -5.277 4.082 1.00 0.00 H new ATOM 0 HE1 PHE A 591 1.967 -2.836 0.906 1.00 0.00 H new ATOM 0 HE2 PHE A 591 5.790 -4.241 2.031 1.00 0.00 H new ATOM 0 HZ PHE A 591 4.358 -3.031 0.468 1.00 0.00 H new ATOM 914 N ASN A 592 0.600 -5.102 7.869 1.00 0.00 N ATOM 915 CA ASN A 592 0.483 -5.710 9.184 1.00 0.00 C ATOM 916 C ASN A 592 -0.738 -6.632 9.207 1.00 0.00 C ATOM 917 O ASN A 592 -1.768 -6.320 8.611 1.00 0.00 O ATOM 918 CB ASN A 592 0.293 -4.646 10.267 1.00 0.00 C ATOM 919 CG ASN A 592 -0.936 -3.782 9.978 1.00 0.00 C ATOM 920 OD1 ASN A 592 -2.055 -4.107 10.339 1.00 0.00 O ATOM 921 ND2 ASN A 592 -0.666 -2.665 9.308 1.00 0.00 N ATOM 0 H ASN A 592 -0.288 -4.852 7.434 1.00 0.00 H new ATOM 0 HA ASN A 592 1.399 -6.266 9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 592 0.183 -5.127 11.239 1.00 0.00 H new ATOM 0 HB3 ASN A 592 1.180 -4.015 10.322 1.00 0.00 H new ATOM 0 HD21 ASN A 592 -1.419 -2.021 9.066 1.00 0.00 H new ATOM 0 HD22 ASN A 592 0.294 -2.453 9.036 1.00 0.00 H new ATOM 928 N ASP A 593 -0.583 -7.749 9.903 1.00 0.00 N ATOM 929 CA ASP A 593 -1.660 -8.718 10.013 1.00 0.00 C ATOM 930 C ASP A 593 -2.846 -8.077 10.735 1.00 0.00 C ATOM 931 O ASP A 593 -3.997 -8.429 10.480 1.00 0.00 O ATOM 932 CB ASP A 593 -1.220 -9.941 10.820 1.00 0.00 C ATOM 933 CG ASP A 593 -0.932 -9.671 12.298 1.00 0.00 C ATOM 934 OD1 ASP A 593 -1.844 -9.678 13.138 1.00 0.00 O ATOM 935 OD2 ASP A 593 0.307 -9.444 12.579 1.00 0.00 O ATOM 0 H ASP A 593 0.272 -8.004 10.396 1.00 0.00 H new ATOM 0 HA ASP A 593 -1.936 -9.030 9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -1.997 -10.702 10.750 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -0.323 -10.357 10.361 1.00 0.00 H new ATOM 941 N GLY A 594 -2.525 -7.146 11.622 1.00 0.00 N ATOM 942 CA GLY A 594 -3.550 -6.453 12.383 1.00 0.00 C ATOM 943 C GLY A 594 -2.931 -5.633 13.517 1.00 0.00 C ATOM 944 O GLY A 594 -3.393 -4.533 13.817 1.00 0.00 O ATOM 0 H GLY A 594 -1.570 -6.856 11.830 1.00 0.00 H new ATOM 0 HA2 GLY A 594 -4.117 -5.797 11.723 1.00 0.00 H new ATOM 0 HA3 GLY A 594 -4.254 -7.176 12.795 1.00 0.00 H new ATOM 948 N ASN A 595 -1.894 -6.200 14.116 1.00 0.00 N ATOM 949 CA ASN A 595 -1.206 -5.535 15.210 1.00 0.00 C ATOM 950 C ASN A 595 -0.421 -6.570 16.017 1.00 0.00 C ATOM 951 O ASN A 595 -0.868 -7.006 17.077 1.00 0.00 O ATOM 952 CB ASN A 595 -2.201 -4.855 16.153 1.00 0.00 C ATOM 953 CG ASN A 595 -2.049 -3.333 16.106 1.00 0.00 C ATOM 954 OD1 ASN A 595 -1.090 -2.763 16.601 1.00 0.00 O ATOM 955 ND2 ASN A 595 -3.046 -2.709 15.485 1.00 0.00 N ATOM 0 H ASN A 595 -1.513 -7.112 13.865 1.00 0.00 H new ATOM 0 HA ASN A 595 -0.541 -4.784 14.784 1.00 0.00 H new ATOM 0 HB2 ASN A 595 -3.218 -5.131 15.875 1.00 0.00 H new ATOM 0 HB3 ASN A 595 -2.042 -5.209 17.172 1.00 0.00 H new ATOM 0 HD21 ASN A 595 -3.038 -1.693 15.401 1.00 0.00 H new ATOM 0 HD22 ASN A 595 -3.819 -3.247 15.093 1.00 0.00 H new ATOM 962 N ASN A 596 0.737 -6.934 15.486 1.00 0.00 N ATOM 963 CA ASN A 596 1.589 -7.910 16.143 1.00 0.00 C ATOM 964 C ASN A 596 2.764 -8.256 15.226 1.00 0.00 C ATOM 965 O ASN A 596 3.877 -8.484 15.697 1.00 0.00 O ATOM 966 CB ASN A 596 0.822 -9.201 16.437 1.00 0.00 C ATOM 967 CG ASN A 596 1.216 -9.775 17.799 1.00 0.00 C ATOM 968 OD1 ASN A 596 1.273 -9.082 18.801 1.00 0.00 O ATOM 969 ND2 ASN A 596 1.485 -11.078 17.780 1.00 0.00 N ATOM 0 H ASN A 596 1.105 -6.570 14.607 1.00 0.00 H new ATOM 0 HA ASN A 596 1.938 -7.476 17.080 1.00 0.00 H new ATOM 0 HB2 ASN A 596 -0.250 -9.004 16.418 1.00 0.00 H new ATOM 0 HB3 ASN A 596 1.025 -9.935 15.657 1.00 0.00 H new ATOM 0 HD21 ASN A 596 1.758 -11.555 18.639 1.00 0.00 H new ATOM 0 HD22 ASN A 596 1.418 -11.600 16.906 1.00 0.00 H new ATOM 976 N ASN A 597 2.475 -8.283 13.933 1.00 0.00 N ATOM 977 CA ASN A 597 3.494 -8.597 12.946 1.00 0.00 C ATOM 978 C ASN A 597 3.526 -7.496 11.884 1.00 0.00 C ATOM 979 O ASN A 597 2.841 -7.589 10.867 1.00 0.00 O ATOM 980 CB ASN A 597 3.191 -9.922 12.243 1.00 0.00 C ATOM 981 CG ASN A 597 4.467 -10.549 11.679 1.00 0.00 C ATOM 982 OD1 ASN A 597 5.318 -11.044 12.400 1.00 0.00 O ATOM 983 ND2 ASN A 597 4.554 -10.500 10.353 1.00 0.00 N ATOM 0 H ASN A 597 1.550 -8.093 13.546 1.00 0.00 H new ATOM 0 HA ASN A 597 4.451 -8.673 13.463 1.00 0.00 H new ATOM 0 HB2 ASN A 597 2.723 -10.611 12.946 1.00 0.00 H new ATOM 0 HB3 ASN A 597 2.477 -9.755 11.437 1.00 0.00 H new ATOM 0 HD21 ASN A 597 5.369 -10.891 9.881 1.00 0.00 H new ATOM 0 HD22 ASN A 597 3.806 -10.071 9.808 1.00 0.00 H new ATOM 990 N TRP A 598 4.328 -6.478 12.158 1.00 0.00 N ATOM 991 CA TRP A 598 4.458 -5.360 11.239 1.00 0.00 C ATOM 992 C TRP A 598 5.703 -5.595 10.381 1.00 0.00 C ATOM 993 O TRP A 598 6.801 -5.767 10.908 1.00 0.00 O ATOM 994 CB TRP A 598 4.497 -4.030 11.995 1.00 0.00 C ATOM 995 CG TRP A 598 3.227 -3.733 12.796 1.00 0.00 C ATOM 996 CD1 TRP A 598 2.848 -4.260 13.968 1.00 0.00 C ATOM 997 CD2 TRP A 598 2.178 -2.810 12.433 1.00 0.00 C ATOM 998 NE1 TRP A 598 1.637 -3.748 14.385 1.00 0.00 N ATOM 999 CE2 TRP A 598 1.216 -2.838 13.422 1.00 0.00 C ATOM 1000 CE3 TRP A 598 2.046 -1.980 11.306 1.00 0.00 C ATOM 1001 CZ2 TRP A 598 0.055 -2.057 13.384 1.00 0.00 C ATOM 1002 CZ3 TRP A 598 0.880 -1.206 11.283 1.00 0.00 C ATOM 1003 CH2 TRP A 598 -0.098 -1.223 12.271 1.00 0.00 C ATOM 0 H TRP A 598 4.894 -6.404 13.003 1.00 0.00 H new ATOM 0 HA TRP A 598 3.589 -5.298 10.583 1.00 0.00 H new ATOM 0 HB2 TRP A 598 5.350 -4.034 12.674 1.00 0.00 H new ATOM 0 HB3 TRP A 598 4.662 -3.223 11.281 1.00 0.00 H new ATOM 0 HD1 TRP A 598 3.419 -4.994 14.517 1.00 0.00 H new ATOM 0 HE1 TRP A 598 1.141 -3.992 15.242 1.00 0.00 H new ATOM 0 HE3 TRP A 598 2.786 -1.943 10.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 598 -0.683 -2.096 14.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 598 0.730 -0.550 10.439 1.00 0.00 H new ATOM 0 HH2 TRP A 598 -0.972 -0.595 12.180 1.00 0.00 H new ATOM 1014 N ASP A 599 5.490 -5.595 9.073 1.00 0.00 N ATOM 1015 CA ASP A 599 6.581 -5.807 8.137 1.00 0.00 C ATOM 1016 C ASP A 599 6.650 -4.626 7.166 1.00 0.00 C ATOM 1017 O ASP A 599 6.046 -4.662 6.095 1.00 0.00 O ATOM 1018 CB ASP A 599 6.364 -7.081 7.318 1.00 0.00 C ATOM 1019 CG ASP A 599 7.045 -8.332 7.876 1.00 0.00 C ATOM 1020 OD1 ASP A 599 7.170 -8.500 9.099 1.00 0.00 O ATOM 1021 OD2 ASP A 599 7.464 -9.167 6.987 1.00 0.00 O ATOM 0 H ASP A 599 4.578 -5.452 8.639 1.00 0.00 H new ATOM 0 HA ASP A 599 7.504 -5.899 8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 599 5.293 -7.270 7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 599 6.727 -6.910 6.304 1.00 0.00 H new ATOM 1027 N SER A 600 7.392 -3.608 7.575 1.00 0.00 N ATOM 1028 CA SER A 600 7.548 -2.419 6.755 1.00 0.00 C ATOM 1029 C SER A 600 8.985 -1.902 6.850 1.00 0.00 C ATOM 1030 O SER A 600 9.239 -0.718 6.634 1.00 0.00 O ATOM 1031 CB SER A 600 6.563 -1.326 7.175 1.00 0.00 C ATOM 1032 OG SER A 600 6.965 -0.678 8.379 1.00 0.00 O ATOM 0 H SER A 600 7.892 -3.582 8.464 1.00 0.00 H new ATOM 0 HA SER A 600 7.332 -2.687 5.721 1.00 0.00 H new ATOM 0 HB2 SER A 600 6.479 -0.588 6.377 1.00 0.00 H new ATOM 0 HB3 SER A 600 5.574 -1.763 7.311 1.00 0.00 H new ATOM 0 HG SER A 600 6.311 0.014 8.612 1.00 0.00 H new ATOM 1038 N ASN A 601 9.888 -2.816 7.173 1.00 0.00 N ATOM 1039 CA ASN A 601 11.293 -2.468 7.299 1.00 0.00 C ATOM 1040 C ASN A 601 11.519 -1.748 8.630 1.00 0.00 C ATOM 1041 O ASN A 601 11.013 -0.646 8.837 1.00 0.00 O ATOM 1042 CB ASN A 601 11.731 -1.529 6.173 1.00 0.00 C ATOM 1043 CG ASN A 601 12.985 -2.058 5.474 1.00 0.00 C ATOM 1044 OD1 ASN A 601 12.929 -2.656 4.412 1.00 0.00 O ATOM 1045 ND2 ASN A 601 14.116 -1.805 6.126 1.00 0.00 N ATOM 0 H ASN A 601 9.674 -3.797 7.351 1.00 0.00 H new ATOM 0 HA ASN A 601 11.874 -3.389 7.247 1.00 0.00 H new ATOM 0 HB2 ASN A 601 10.924 -1.423 5.448 1.00 0.00 H new ATOM 0 HB3 ASN A 601 11.928 -0.536 6.578 1.00 0.00 H new ATOM 0 HD21 ASN A 601 15.007 -2.117 5.741 1.00 0.00 H new ATOM 0 HD22 ASN A 601 14.092 -1.299 7.011 1.00 0.00 H new ATOM 1052 N ASN A 602 12.278 -2.401 9.497 1.00 0.00 N ATOM 1053 CA ASN A 602 12.577 -1.837 10.803 1.00 0.00 C ATOM 1054 C ASN A 602 12.789 -0.328 10.665 1.00 0.00 C ATOM 1055 O ASN A 602 12.389 0.441 11.538 1.00 0.00 O ATOM 1056 CB ASN A 602 13.855 -2.443 11.386 1.00 0.00 C ATOM 1057 CG ASN A 602 13.575 -3.806 12.021 1.00 0.00 C ATOM 1058 OD1 ASN A 602 12.989 -3.915 13.086 1.00 0.00 O ATOM 1059 ND2 ASN A 602 14.026 -4.836 11.311 1.00 0.00 N ATOM 0 H ASN A 602 12.695 -3.315 9.321 1.00 0.00 H new ATOM 0 HA ASN A 602 11.740 -2.057 11.465 1.00 0.00 H new ATOM 0 HB2 ASN A 602 14.602 -2.551 10.600 1.00 0.00 H new ATOM 0 HB3 ASN A 602 14.273 -1.769 12.133 1.00 0.00 H new ATOM 0 HD21 ASN A 602 13.889 -5.788 11.650 1.00 0.00 H new ATOM 0 HD22 ASN A 602 14.508 -4.674 10.427 1.00 0.00 H new ATOM 1066 N THR A 603 13.418 0.051 9.562 1.00 0.00 N ATOM 1067 CA THR A 603 13.688 1.454 9.299 1.00 0.00 C ATOM 1068 C THR A 603 14.041 1.662 7.825 1.00 0.00 C ATOM 1069 O THR A 603 15.196 1.921 7.490 1.00 0.00 O ATOM 1070 CB THR A 603 14.790 1.911 10.258 1.00 0.00 C ATOM 1071 OG1 THR A 603 14.132 2.015 11.518 1.00 0.00 O ATOM 1072 CG2 THR A 603 15.265 3.337 9.967 1.00 0.00 C ATOM 0 H THR A 603 13.748 -0.589 8.840 1.00 0.00 H new ATOM 0 HA THR A 603 12.805 2.067 9.479 1.00 0.00 H new ATOM 0 HB THR A 603 15.635 1.226 10.193 1.00 0.00 H new ATOM 0 HG1 THR A 603 13.173 1.853 11.400 1.00 0.00 H new ATOM 0 HG21 THR A 603 16.047 3.612 10.675 1.00 0.00 H new ATOM 0 HG22 THR A 603 15.660 3.389 8.952 1.00 0.00 H new ATOM 0 HG23 THR A 603 14.427 4.027 10.066 1.00 0.00 H new ATOM 1080 N LYS A 604 13.024 1.542 6.984 1.00 0.00 N ATOM 1081 CA LYS A 604 13.213 1.713 5.554 1.00 0.00 C ATOM 1082 C LYS A 604 11.992 1.163 4.813 1.00 0.00 C ATOM 1083 O LYS A 604 12.100 0.194 4.064 1.00 0.00 O ATOM 1084 CB LYS A 604 14.535 1.087 5.108 1.00 0.00 C ATOM 1085 CG LYS A 604 15.599 2.161 4.873 1.00 0.00 C ATOM 1086 CD LYS A 604 15.694 2.523 3.390 1.00 0.00 C ATOM 1087 CE LYS A 604 16.617 1.555 2.646 1.00 0.00 C ATOM 1088 NZ LYS A 604 15.836 0.698 1.727 1.00 0.00 N ATOM 0 H LYS A 604 12.067 1.329 7.266 1.00 0.00 H new ATOM 0 HA LYS A 604 13.289 2.771 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 604 14.883 0.385 5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 604 14.381 0.517 4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 604 15.357 3.051 5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 604 16.566 1.803 5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 604 14.700 2.500 2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 604 16.068 3.541 3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 604 17.364 2.115 2.084 1.00 0.00 H new ATOM 0 HE3 LYS A 604 17.156 0.934 3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 604 16.326 -0.210 1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 604 14.892 0.528 2.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 604 15.740 1.173 0.807 1.00 0.00 H new ATOM 1101 N ASN A 605 10.857 1.806 5.050 1.00 0.00 N ATOM 1102 CA ASN A 605 9.617 1.393 4.415 1.00 0.00 C ATOM 1103 C ASN A 605 9.773 1.483 2.895 1.00 0.00 C ATOM 1104 O ASN A 605 10.890 1.490 2.381 1.00 0.00 O ATOM 1105 CB ASN A 605 8.458 2.303 4.826 1.00 0.00 C ATOM 1106 CG ASN A 605 8.550 2.671 6.309 1.00 0.00 C ATOM 1107 OD1 ASN A 605 9.070 1.931 7.127 1.00 0.00 O ATOM 1108 ND2 ASN A 605 8.016 3.852 6.607 1.00 0.00 N ATOM 0 H ASN A 605 10.771 2.609 5.673 1.00 0.00 H new ATOM 0 HA ASN A 605 9.402 0.371 4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 605 8.470 3.210 4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 605 7.510 1.802 4.630 1.00 0.00 H new ATOM 0 HD21 ASN A 605 8.026 4.188 7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 605 7.596 4.422 5.872 1.00 0.00 H new ATOM 1115 N TYR A 606 8.635 1.551 2.219 1.00 0.00 N ATOM 1116 CA TYR A 606 8.631 1.640 0.769 1.00 0.00 C ATOM 1117 C TYR A 606 7.909 2.905 0.300 1.00 0.00 C ATOM 1118 O TYR A 606 6.793 3.185 0.736 1.00 0.00 O ATOM 1119 CB TYR A 606 7.861 0.414 0.273 1.00 0.00 C ATOM 1120 CG TYR A 606 8.520 -0.920 0.630 1.00 0.00 C ATOM 1121 CD1 TYR A 606 9.637 -1.344 -0.060 1.00 0.00 C ATOM 1122 CD2 TYR A 606 7.996 -1.699 1.641 1.00 0.00 C ATOM 1123 CE1 TYR A 606 10.257 -2.600 0.276 1.00 0.00 C ATOM 1124 CE2 TYR A 606 8.615 -2.955 1.977 1.00 0.00 C ATOM 1125 CZ TYR A 606 9.715 -3.343 1.278 1.00 0.00 C ATOM 1126 OH TYR A 606 10.301 -4.529 1.595 1.00 0.00 O ATOM 0 H TYR A 606 7.710 1.546 2.649 1.00 0.00 H new ATOM 0 HA TYR A 606 9.650 1.677 0.384 1.00 0.00 H new ATOM 0 HB2 TYR A 606 6.855 0.435 0.693 1.00 0.00 H new ATOM 0 HB3 TYR A 606 7.756 0.477 -0.810 1.00 0.00 H new ATOM 0 HD1 TYR A 606 10.046 -0.734 -0.852 1.00 0.00 H new ATOM 0 HD2 TYR A 606 7.121 -1.367 2.181 1.00 0.00 H new ATOM 0 HE1 TYR A 606 11.132 -2.944 -0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 606 8.215 -3.575 2.766 1.00 0.00 H new ATOM 0 HH TYR A 606 11.086 -4.366 2.159 1.00 0.00 H new ATOM 1136 N LEU A 607 8.575 3.636 -0.582 1.00 0.00 N ATOM 1137 CA LEU A 607 8.010 4.864 -1.115 1.00 0.00 C ATOM 1138 C LEU A 607 7.435 4.594 -2.507 1.00 0.00 C ATOM 1139 O LEU A 607 8.139 4.105 -3.389 1.00 0.00 O ATOM 1140 CB LEU A 607 9.048 5.987 -1.086 1.00 0.00 C ATOM 1141 CG LEU A 607 9.111 6.809 0.203 1.00 0.00 C ATOM 1142 CD1 LEU A 607 7.771 7.492 0.483 1.00 0.00 C ATOM 1143 CD2 LEU A 607 9.573 5.949 1.381 1.00 0.00 C ATOM 0 H LEU A 607 9.501 3.401 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 607 7.185 5.207 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 607 10.031 5.551 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 607 8.845 6.664 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 607 9.853 7.596 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 607 7.843 8.070 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 607 7.522 8.157 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 607 6.992 6.736 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 607 9.609 6.558 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 607 8.874 5.125 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 607 10.566 5.550 1.173 1.00 0.00 H new ATOM 1155 N PHE A 608 6.162 4.925 -2.661 1.00 0.00 N ATOM 1156 CA PHE A 608 5.484 4.725 -3.930 1.00 0.00 C ATOM 1157 C PHE A 608 4.913 6.042 -4.461 1.00 0.00 C ATOM 1158 O PHE A 608 4.531 6.915 -3.683 1.00 0.00 O ATOM 1159 CB PHE A 608 4.334 3.750 -3.674 1.00 0.00 C ATOM 1160 CG PHE A 608 4.742 2.495 -2.900 1.00 0.00 C ATOM 1161 CD1 PHE A 608 5.841 1.790 -3.279 1.00 0.00 C ATOM 1162 CD2 PHE A 608 4.005 2.086 -1.832 1.00 0.00 C ATOM 1163 CE1 PHE A 608 6.220 0.625 -2.560 1.00 0.00 C ATOM 1164 CE2 PHE A 608 4.384 0.921 -1.113 1.00 0.00 C ATOM 1165 CZ PHE A 608 5.483 0.216 -1.492 1.00 0.00 C ATOM 0 H PHE A 608 5.581 5.331 -1.927 1.00 0.00 H new ATOM 0 HA PHE A 608 6.186 4.341 -4.670 1.00 0.00 H new ATOM 0 HB2 PHE A 608 3.550 4.267 -3.121 1.00 0.00 H new ATOM 0 HB3 PHE A 608 3.905 3.451 -4.630 1.00 0.00 H new ATOM 0 HD1 PHE A 608 6.426 2.116 -4.127 1.00 0.00 H new ATOM 0 HD2 PHE A 608 3.132 2.647 -1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 608 7.093 0.064 -2.861 1.00 0.00 H new ATOM 0 HE2 PHE A 608 3.799 0.595 -0.265 1.00 0.00 H new ATOM 0 HZ PHE A 608 5.771 -0.669 -0.945 1.00 0.00 H new ATOM 1175 N SER A 609 4.873 6.143 -5.781 1.00 0.00 N ATOM 1176 CA SER A 609 4.355 7.338 -6.425 1.00 0.00 C ATOM 1177 C SER A 609 3.032 7.023 -7.126 1.00 0.00 C ATOM 1178 O SER A 609 2.645 5.861 -7.237 1.00 0.00 O ATOM 1179 CB SER A 609 5.363 7.907 -7.425 1.00 0.00 C ATOM 1180 OG SER A 609 4.909 9.126 -8.007 1.00 0.00 O ATOM 0 H SER A 609 5.191 5.417 -6.423 1.00 0.00 H new ATOM 0 HA SER A 609 4.182 8.092 -5.657 1.00 0.00 H new ATOM 0 HB2 SER A 609 6.315 8.078 -6.922 1.00 0.00 H new ATOM 0 HB3 SER A 609 5.545 7.175 -8.212 1.00 0.00 H new ATOM 0 HG SER A 609 5.031 9.859 -7.368 1.00 0.00 H new ATOM 1186 N THR A 610 2.374 8.079 -7.582 1.00 0.00 N ATOM 1187 CA THR A 610 1.103 7.930 -8.269 1.00 0.00 C ATOM 1188 C THR A 610 1.250 6.985 -9.463 1.00 0.00 C ATOM 1189 O THR A 610 2.361 6.739 -9.931 1.00 0.00 O ATOM 1190 CB THR A 610 0.608 9.325 -8.656 1.00 0.00 C ATOM 1191 OG1 THR A 610 1.695 9.890 -9.384 1.00 0.00 O ATOM 1192 CG2 THR A 610 0.451 10.248 -7.445 1.00 0.00 C ATOM 0 H THR A 610 2.698 9.042 -7.489 1.00 0.00 H new ATOM 0 HA THR A 610 0.355 7.472 -7.622 1.00 0.00 H new ATOM 0 HB THR A 610 -0.347 9.240 -9.174 1.00 0.00 H new ATOM 0 HG1 THR A 610 1.458 10.795 -9.675 1.00 0.00 H new ATOM 0 HG21 THR A 610 0.098 11.225 -7.775 1.00 0.00 H new ATOM 0 HG22 THR A 610 -0.270 9.817 -6.750 1.00 0.00 H new ATOM 0 HG23 THR A 610 1.413 10.360 -6.946 1.00 0.00 H new ATOM 1200 N GLY A 611 0.114 6.481 -9.922 1.00 0.00 N ATOM 1201 CA GLY A 611 0.103 5.568 -11.052 1.00 0.00 C ATOM 1202 C GLY A 611 -0.410 4.187 -10.637 1.00 0.00 C ATOM 1203 O GLY A 611 -1.432 4.078 -9.962 1.00 0.00 O ATOM 0 H GLY A 611 -0.805 6.688 -9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -0.528 5.971 -11.844 1.00 0.00 H new ATOM 0 HA3 GLY A 611 1.109 5.478 -11.461 1.00 0.00 H new ATOM 1207 N THR A 612 0.324 3.168 -11.058 1.00 0.00 N ATOM 1208 CA THR A 612 -0.043 1.799 -10.739 1.00 0.00 C ATOM 1209 C THR A 612 1.147 1.056 -10.129 1.00 0.00 C ATOM 1210 O THR A 612 2.248 1.084 -10.678 1.00 0.00 O ATOM 1211 CB THR A 612 -0.581 1.144 -12.013 1.00 0.00 C ATOM 1212 OG1 THR A 612 -1.562 2.062 -12.487 1.00 0.00 O ATOM 1213 CG2 THR A 612 -1.373 -0.133 -11.725 1.00 0.00 C ATOM 0 H THR A 612 1.172 3.263 -11.618 1.00 0.00 H new ATOM 0 HA THR A 612 -0.828 1.766 -9.984 1.00 0.00 H new ATOM 0 HB THR A 612 0.249 0.913 -12.681 1.00 0.00 H new ATOM 0 HG1 THR A 612 -1.961 1.717 -13.313 1.00 0.00 H new ATOM 0 HG21 THR A 612 -1.732 -0.558 -12.662 1.00 0.00 H new ATOM 0 HG22 THR A 612 -0.729 -0.855 -11.223 1.00 0.00 H new ATOM 0 HG23 THR A 612 -2.223 0.103 -11.084 1.00 0.00 H new ATOM 1221 N SER A 613 0.886 0.409 -9.003 1.00 0.00 N ATOM 1222 CA SER A 613 1.922 -0.341 -8.313 1.00 0.00 C ATOM 1223 C SER A 613 1.342 -1.640 -7.750 1.00 0.00 C ATOM 1224 O SER A 613 0.134 -1.745 -7.541 1.00 0.00 O ATOM 1225 CB SER A 613 2.549 0.490 -7.192 1.00 0.00 C ATOM 1226 OG SER A 613 3.149 1.685 -7.684 1.00 0.00 O ATOM 0 H SER A 613 -0.028 0.388 -8.551 1.00 0.00 H new ATOM 0 HA SER A 613 2.705 -0.582 -9.032 1.00 0.00 H new ATOM 0 HB2 SER A 613 1.784 0.744 -6.458 1.00 0.00 H new ATOM 0 HB3 SER A 613 3.301 -0.107 -6.675 1.00 0.00 H new ATOM 0 HG SER A 613 3.536 2.188 -6.937 1.00 0.00 H new ATOM 1232 N THR A 614 2.229 -2.596 -7.520 1.00 0.00 N ATOM 1233 CA THR A 614 1.820 -3.884 -6.985 1.00 0.00 C ATOM 1234 C THR A 614 2.745 -4.304 -5.841 1.00 0.00 C ATOM 1235 O THR A 614 3.926 -4.570 -6.058 1.00 0.00 O ATOM 1236 CB THR A 614 1.788 -4.887 -8.140 1.00 0.00 C ATOM 1237 OG1 THR A 614 1.227 -4.151 -9.224 1.00 0.00 O ATOM 1238 CG2 THR A 614 0.789 -6.021 -7.903 1.00 0.00 C ATOM 0 H THR A 614 3.230 -2.505 -7.694 1.00 0.00 H new ATOM 0 HA THR A 614 0.821 -3.833 -6.552 1.00 0.00 H new ATOM 0 HB THR A 614 2.784 -5.305 -8.285 1.00 0.00 H new ATOM 0 HG1 THR A 614 1.317 -4.668 -10.052 1.00 0.00 H new ATOM 0 HG21 THR A 614 0.806 -6.704 -8.752 1.00 0.00 H new ATOM 0 HG22 THR A 614 1.061 -6.562 -6.997 1.00 0.00 H new ATOM 0 HG23 THR A 614 -0.213 -5.606 -7.791 1.00 0.00 H new ATOM 1246 N TYR A 615 2.172 -4.351 -4.647 1.00 0.00 N ATOM 1247 CA TYR A 615 2.930 -4.735 -3.468 1.00 0.00 C ATOM 1248 C TYR A 615 2.721 -6.214 -3.140 1.00 0.00 C ATOM 1249 O TYR A 615 1.617 -6.626 -2.787 1.00 0.00 O ATOM 1250 CB TYR A 615 2.380 -3.887 -2.319 1.00 0.00 C ATOM 1251 CG TYR A 615 2.043 -4.689 -1.061 1.00 0.00 C ATOM 1252 CD1 TYR A 615 2.989 -5.522 -0.499 1.00 0.00 C ATOM 1253 CD2 TYR A 615 0.792 -4.578 -0.487 1.00 0.00 C ATOM 1254 CE1 TYR A 615 2.671 -6.277 0.685 1.00 0.00 C ATOM 1255 CE2 TYR A 615 0.475 -5.333 0.697 1.00 0.00 C ATOM 1256 CZ TYR A 615 1.430 -6.145 1.225 1.00 0.00 C ATOM 1257 OH TYR A 615 1.129 -6.858 2.344 1.00 0.00 O ATOM 0 H TYR A 615 1.192 -4.130 -4.471 1.00 0.00 H new ATOM 0 HA TYR A 615 3.997 -4.579 -3.629 1.00 0.00 H new ATOM 0 HB2 TYR A 615 3.112 -3.121 -2.064 1.00 0.00 H new ATOM 0 HB3 TYR A 615 1.483 -3.370 -2.659 1.00 0.00 H new ATOM 0 HD1 TYR A 615 3.968 -5.608 -0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 615 0.052 -3.925 -0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 615 3.402 -6.933 1.134 1.00 0.00 H new ATOM 0 HE2 TYR A 615 -0.500 -5.256 1.156 1.00 0.00 H new ATOM 0 HH TYR A 615 1.948 -7.025 2.855 1.00 0.00 H new ATOM 1267 N THR A 616 3.800 -6.974 -3.268 1.00 0.00 N ATOM 1268 CA THR A 616 3.749 -8.399 -2.989 1.00 0.00 C ATOM 1269 C THR A 616 4.695 -8.752 -1.840 1.00 0.00 C ATOM 1270 O THR A 616 5.914 -8.681 -1.991 1.00 0.00 O ATOM 1271 CB THR A 616 4.063 -9.146 -4.286 1.00 0.00 C ATOM 1272 OG1 THR A 616 3.085 -8.669 -5.207 1.00 0.00 O ATOM 1273 CG2 THR A 616 3.776 -10.646 -4.182 1.00 0.00 C ATOM 0 H THR A 616 4.714 -6.629 -3.561 1.00 0.00 H new ATOM 0 HA THR A 616 2.756 -8.701 -2.655 1.00 0.00 H new ATOM 0 HB THR A 616 5.110 -8.994 -4.548 1.00 0.00 H new ATOM 0 HG1 THR A 616 3.216 -9.101 -6.077 1.00 0.00 H new ATOM 0 HG21 THR A 616 4.016 -11.129 -5.129 1.00 0.00 H new ATOM 0 HG22 THR A 616 4.386 -11.079 -3.389 1.00 0.00 H new ATOM 0 HG23 THR A 616 2.721 -10.800 -3.953 1.00 0.00 H new ATOM 1281 N PRO A 617 4.083 -9.133 -0.687 1.00 0.00 N ATOM 1282 CA PRO A 617 4.858 -9.498 0.487 1.00 0.00 C ATOM 1283 C PRO A 617 5.486 -10.883 0.321 1.00 0.00 C ATOM 1284 O PRO A 617 5.217 -11.577 -0.658 1.00 0.00 O ATOM 1285 CB PRO A 617 3.876 -9.425 1.645 1.00 0.00 C ATOM 1286 CG PRO A 617 2.491 -9.478 1.020 1.00 0.00 C ATOM 1287 CD PRO A 617 2.642 -9.228 -0.471 1.00 0.00 C ATOM 0 HA PRO A 617 5.703 -8.831 0.657 1.00 0.00 H new ATOM 0 HB2 PRO A 617 4.025 -10.255 2.336 1.00 0.00 H new ATOM 0 HB3 PRO A 617 4.012 -8.506 2.216 1.00 0.00 H new ATOM 0 HG2 PRO A 617 2.028 -10.449 1.199 1.00 0.00 H new ATOM 0 HG3 PRO A 617 1.841 -8.727 1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 617 2.207 -10.039 -1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 617 2.135 -8.311 -0.772 1.00 0.00 H new ATOM 1295 N GLY A 618 6.311 -11.244 1.293 1.00 0.00 N ATOM 1296 CA GLY A 618 6.979 -12.534 1.268 1.00 0.00 C ATOM 1297 C GLY A 618 6.377 -13.484 2.305 1.00 0.00 C ATOM 1298 O GLY A 618 5.219 -13.334 2.691 1.00 0.00 O ATOM 0 H GLY A 618 6.532 -10.665 2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 618 6.892 -12.973 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 618 8.043 -12.401 1.466 1.00 0.00 H new ATOM 1302 N SER A 619 7.191 -14.441 2.726 1.00 0.00 N ATOM 1303 CA SER A 619 6.753 -15.416 3.710 1.00 0.00 C ATOM 1304 C SER A 619 7.754 -15.478 4.866 1.00 0.00 C ATOM 1305 O SER A 619 8.949 -15.263 4.669 1.00 0.00 O ATOM 1306 CB SER A 619 6.585 -16.799 3.079 1.00 0.00 C ATOM 1307 OG SER A 619 5.707 -17.629 3.836 1.00 0.00 O ATOM 0 H SER A 619 8.151 -14.562 2.404 1.00 0.00 H new ATOM 0 HA SER A 619 5.782 -15.102 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 619 6.198 -16.691 2.066 1.00 0.00 H new ATOM 0 HB3 SER A 619 7.559 -17.281 2.998 1.00 0.00 H new ATOM 0 HG SER A 619 5.625 -18.502 3.399 1.00 0.00 H new ATOM 1313 N ASN A 620 7.229 -15.774 6.046 1.00 0.00 N ATOM 1314 CA ASN A 620 8.061 -15.867 7.233 1.00 0.00 C ATOM 1315 C ASN A 620 8.711 -14.508 7.503 1.00 0.00 C ATOM 1316 O ASN A 620 9.932 -14.375 7.433 1.00 0.00 O ATOM 1317 CB ASN A 620 9.178 -16.896 7.044 1.00 0.00 C ATOM 1318 CG ASN A 620 8.752 -18.269 7.566 1.00 0.00 C ATOM 1319 OD1 ASN A 620 8.222 -18.410 8.656 1.00 0.00 O ATOM 1320 ND2 ASN A 620 9.014 -19.271 6.731 1.00 0.00 N ATOM 0 H ASN A 620 6.237 -15.953 6.205 1.00 0.00 H new ATOM 0 HA ASN A 620 7.427 -16.172 8.066 1.00 0.00 H new ATOM 0 HB2 ASN A 620 9.436 -16.969 5.987 1.00 0.00 H new ATOM 0 HB3 ASN A 620 10.074 -16.566 7.569 1.00 0.00 H new ATOM 0 HD21 ASN A 620 8.769 -20.227 6.989 1.00 0.00 H new ATOM 0 HD22 ASN A 620 9.460 -19.083 5.833 1.00 0.00 H new ATOM 1327 N GLY A 621 7.866 -13.534 7.806 1.00 0.00 N ATOM 1328 CA GLY A 621 8.343 -12.190 8.087 1.00 0.00 C ATOM 1329 C GLY A 621 9.516 -11.823 7.175 1.00 0.00 C ATOM 1330 O GLY A 621 10.571 -11.407 7.652 1.00 0.00 O ATOM 0 H GLY A 621 6.854 -13.648 7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 621 7.532 -11.476 7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 621 8.653 -12.121 9.130 1.00 0.00 H new ATOM 1334 N ALA A 622 9.291 -11.989 5.880 1.00 0.00 N ATOM 1335 CA ALA A 622 10.316 -11.680 4.897 1.00 0.00 C ATOM 1336 C ALA A 622 9.770 -10.652 3.904 1.00 0.00 C ATOM 1337 O ALA A 622 8.972 -10.990 3.031 1.00 0.00 O ATOM 1338 CB ALA A 622 10.770 -12.970 4.211 1.00 0.00 C ATOM 0 H ALA A 622 8.414 -12.333 5.489 1.00 0.00 H new ATOM 0 HA ALA A 622 11.190 -11.241 5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 622 11.539 -12.739 3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 622 11.176 -13.655 4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.919 -13.437 3.714 1.00 0.00 H new ATOM 1344 N ALA A 623 10.222 -9.418 4.070 1.00 0.00 N ATOM 1345 CA ALA A 623 9.790 -8.339 3.199 1.00 0.00 C ATOM 1346 C ALA A 623 9.677 -8.860 1.766 1.00 0.00 C ATOM 1347 O ALA A 623 10.318 -9.847 1.408 1.00 0.00 O ATOM 1348 CB ALA A 623 10.764 -7.165 3.318 1.00 0.00 C ATOM 0 H ALA A 623 10.884 -9.141 4.795 1.00 0.00 H new ATOM 0 HA ALA A 623 8.806 -7.977 3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 623 10.440 -6.355 2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 623 10.785 -6.813 4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 623 11.763 -7.490 3.025 1.00 0.00 H new ATOM 1354 N GLY A 624 8.855 -8.175 0.984 1.00 0.00 N ATOM 1355 CA GLY A 624 8.650 -8.557 -0.403 1.00 0.00 C ATOM 1356 C GLY A 624 9.192 -7.486 -1.353 1.00 0.00 C ATOM 1357 O GLY A 624 10.275 -6.946 -1.132 1.00 0.00 O ATOM 0 H GLY A 624 8.323 -7.358 1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 624 9.147 -9.507 -0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 624 7.587 -8.709 -0.589 1.00 0.00 H new ATOM 1361 N THR A 625 8.414 -7.212 -2.389 1.00 0.00 N ATOM 1362 CA THR A 625 8.802 -6.216 -3.373 1.00 0.00 C ATOM 1363 C THR A 625 7.563 -5.577 -4.003 1.00 0.00 C ATOM 1364 O THR A 625 6.465 -6.124 -3.914 1.00 0.00 O ATOM 1365 CB THR A 625 9.722 -6.891 -4.393 1.00 0.00 C ATOM 1366 OG1 THR A 625 9.076 -8.130 -4.675 1.00 0.00 O ATOM 1367 CG2 THR A 625 11.066 -7.301 -3.787 1.00 0.00 C ATOM 0 H THR A 625 7.517 -7.662 -2.569 1.00 0.00 H new ATOM 0 HA THR A 625 9.352 -5.397 -2.910 1.00 0.00 H new ATOM 0 HB THR A 625 9.893 -6.216 -5.232 1.00 0.00 H new ATOM 0 HG1 THR A 625 9.604 -8.633 -5.330 1.00 0.00 H new ATOM 0 HG21 THR A 625 11.681 -7.775 -4.552 1.00 0.00 H new ATOM 0 HG22 THR A 625 11.578 -6.417 -3.406 1.00 0.00 H new ATOM 0 HG23 THR A 625 10.898 -8.003 -2.970 1.00 0.00 H new ATOM 1375 N ILE A 626 7.781 -4.428 -4.626 1.00 0.00 N ATOM 1376 CA ILE A 626 6.695 -3.708 -5.270 1.00 0.00 C ATOM 1377 C ILE A 626 7.001 -3.562 -6.762 1.00 0.00 C ATOM 1378 O ILE A 626 8.056 -3.052 -7.136 1.00 0.00 O ATOM 1379 CB ILE A 626 6.439 -2.377 -4.561 1.00 0.00 C ATOM 1380 CG1 ILE A 626 7.012 -2.392 -3.143 1.00 0.00 C ATOM 1381 CG2 ILE A 626 4.950 -2.025 -4.575 1.00 0.00 C ATOM 1382 CD1 ILE A 626 8.453 -1.880 -3.127 1.00 0.00 C ATOM 0 H ILE A 626 8.693 -3.978 -4.699 1.00 0.00 H new ATOM 0 HA ILE A 626 5.764 -4.269 -5.188 1.00 0.00 H new ATOM 0 HB ILE A 626 6.960 -1.592 -5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 626 6.395 -1.773 -2.492 1.00 0.00 H new ATOM 0 HG13 ILE A 626 6.978 -3.406 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 626 4.796 -1.074 -4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 626 4.605 -1.943 -5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 626 4.387 -2.806 -4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 626 8.835 -1.901 -2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 626 9.072 -2.516 -3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 626 8.480 -0.857 -3.503 1.00 0.00 H new ATOM 1394 N ARG A 627 6.059 -4.018 -7.574 1.00 0.00 N ATOM 1395 CA ARG A 627 6.214 -3.944 -9.017 1.00 0.00 C ATOM 1396 C ARG A 627 5.254 -2.907 -9.602 1.00 0.00 C ATOM 1397 O ARG A 627 4.043 -2.994 -9.402 1.00 0.00 O ATOM 1398 CB ARG A 627 5.948 -5.302 -9.670 1.00 0.00 C ATOM 1399 CG ARG A 627 7.248 -5.935 -10.170 1.00 0.00 C ATOM 1400 CD ARG A 627 7.408 -5.739 -11.679 1.00 0.00 C ATOM 1401 NE ARG A 627 8.602 -4.912 -11.959 1.00 0.00 N ATOM 1402 CZ ARG A 627 9.871 -5.369 -11.895 1.00 0.00 C ATOM 1403 NH1 ARG A 627 10.121 -6.652 -11.559 1.00 0.00 N ATOM 1404 NH2 ARG A 627 10.864 -4.541 -12.165 1.00 0.00 N ATOM 0 H ARG A 627 5.185 -4.440 -7.260 1.00 0.00 H new ATOM 0 HA ARG A 627 7.243 -3.649 -9.225 1.00 0.00 H new ATOM 0 HB2 ARG A 627 5.468 -5.967 -8.952 1.00 0.00 H new ATOM 0 HB3 ARG A 627 5.255 -5.180 -10.503 1.00 0.00 H new ATOM 0 HG2 ARG A 627 8.097 -5.491 -9.650 1.00 0.00 H new ATOM 0 HG3 ARG A 627 7.252 -6.999 -9.935 1.00 0.00 H new ATOM 0 HD2 ARG A 627 7.502 -6.707 -12.172 1.00 0.00 H new ATOM 0 HD3 ARG A 627 6.519 -5.259 -12.088 1.00 0.00 H new ATOM 0 HE ARG A 627 8.458 -3.936 -12.216 1.00 0.00 H new ATOM 0 HH11 ARG A 627 9.348 -7.285 -11.351 1.00 0.00 H new ATOM 0 HH12 ARG A 627 11.083 -6.989 -11.513 1.00 0.00 H new ATOM 0 HH21 ARG A 627 10.666 -3.573 -12.417 1.00 0.00 H new ATOM 0 HH22 ARG A 627 11.829 -4.870 -12.121 1.00 0.00 H new ATOM 1417 N THR A 628 5.829 -1.949 -10.314 1.00 0.00 N ATOM 1418 CA THR A 628 5.039 -0.896 -10.929 1.00 0.00 C ATOM 1419 C THR A 628 4.323 -1.425 -12.174 1.00 0.00 C ATOM 1420 O THR A 628 4.830 -2.316 -12.854 1.00 0.00 O ATOM 1421 CB THR A 628 5.968 0.285 -11.218 1.00 0.00 C ATOM 1422 OG1 THR A 628 7.179 -0.054 -10.548 1.00 0.00 O ATOM 1423 CG2 THR A 628 5.509 1.572 -10.531 1.00 0.00 C ATOM 0 H THR A 628 6.833 -1.880 -10.479 1.00 0.00 H new ATOM 0 HA THR A 628 4.250 -0.551 -10.260 1.00 0.00 H new ATOM 0 HB THR A 628 6.024 0.448 -12.294 1.00 0.00 H new ATOM 0 HG1 THR A 628 7.839 0.658 -10.685 1.00 0.00 H new ATOM 0 HG21 THR A 628 6.203 2.379 -10.769 1.00 0.00 H new ATOM 0 HG22 THR A 628 4.511 1.836 -10.882 1.00 0.00 H new ATOM 0 HG23 THR A 628 5.485 1.420 -9.452 1.00 0.00 H new ATOM 1431 N GLY A 629 3.157 -0.853 -12.434 1.00 0.00 N ATOM 1432 CA GLY A 629 2.366 -1.256 -13.585 1.00 0.00 C ATOM 1433 C GLY A 629 1.163 -2.098 -13.156 1.00 0.00 C ATOM 1434 O GLY A 629 1.265 -2.910 -12.238 1.00 0.00 O ATOM 0 H GLY A 629 2.741 -0.114 -11.868 1.00 0.00 H new ATOM 0 HA2 GLY A 629 2.023 -0.372 -14.122 1.00 0.00 H new ATOM 0 HA3 GLY A 629 2.987 -1.827 -14.275 1.00 0.00 H new ATOM 1438 N ALA A 630 0.051 -1.876 -13.841 1.00 0.00 N ATOM 1439 CA ALA A 630 -1.170 -2.604 -13.543 1.00 0.00 C ATOM 1440 C ALA A 630 -0.924 -4.102 -13.730 1.00 0.00 C ATOM 1441 O ALA A 630 -0.556 -4.544 -14.817 1.00 0.00 O ATOM 1442 CB ALA A 630 -2.304 -2.084 -14.428 1.00 0.00 C ATOM 0 H ALA A 630 -0.030 -1.202 -14.602 1.00 0.00 H new ATOM 0 HA ALA A 630 -1.468 -2.446 -12.506 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -3.220 -2.631 -14.204 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -2.458 -1.022 -14.235 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -2.043 -2.228 -15.476 1.00 0.00 H new ATOM 1448 N PRO A 631 -1.142 -4.863 -12.624 1.00 0.00 N ATOM 1449 CA PRO A 631 -0.949 -6.303 -12.656 1.00 0.00 C ATOM 1450 C PRO A 631 -2.093 -6.994 -13.399 1.00 0.00 C ATOM 1451 O PRO A 631 -3.202 -6.466 -13.468 1.00 0.00 O ATOM 1452 CB PRO A 631 -0.851 -6.719 -11.197 1.00 0.00 C ATOM 1453 CG PRO A 631 -1.456 -5.577 -10.396 1.00 0.00 C ATOM 1454 CD PRO A 631 -1.578 -4.375 -11.319 1.00 0.00 C ATOM 0 HA PRO A 631 -0.051 -6.595 -13.201 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -1.390 -7.649 -11.019 1.00 0.00 H new ATOM 0 HB3 PRO A 631 0.186 -6.892 -10.909 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -2.434 -5.860 -10.006 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -0.828 -5.338 -9.538 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -2.603 -4.007 -11.356 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -0.955 -3.549 -10.977 1.00 0.00 H new ATOM 1462 N SER A 632 -1.785 -8.165 -13.938 1.00 0.00 N ATOM 1463 CA SER A 632 -2.774 -8.933 -14.674 1.00 0.00 C ATOM 1464 C SER A 632 -2.662 -10.415 -14.310 1.00 0.00 C ATOM 1465 O SER A 632 -2.135 -11.211 -15.085 1.00 0.00 O ATOM 1466 CB SER A 632 -2.607 -8.744 -16.183 1.00 0.00 C ATOM 1467 OG SER A 632 -1.325 -9.170 -16.636 1.00 0.00 O ATOM 0 H SER A 632 -0.864 -8.600 -13.879 1.00 0.00 H new ATOM 0 HA SER A 632 -3.764 -8.570 -14.397 1.00 0.00 H new ATOM 0 HB2 SER A 632 -3.381 -9.305 -16.706 1.00 0.00 H new ATOM 0 HB3 SER A 632 -2.750 -7.693 -16.435 1.00 0.00 H new ATOM 0 HG SER A 632 -1.149 -10.078 -16.312 1.00 0.00 H new ATOM 1473 N GLY A 633 -3.168 -10.741 -13.129 1.00 0.00 N ATOM 1474 CA GLY A 633 -3.132 -12.113 -12.652 1.00 0.00 C ATOM 1475 C GLY A 633 -1.726 -12.494 -12.184 1.00 0.00 C ATOM 1476 O GLY A 633 -0.935 -11.627 -11.814 1.00 0.00 O ATOM 0 H GLY A 633 -3.605 -10.078 -12.489 1.00 0.00 H new ATOM 0 HA2 GLY A 633 -3.838 -12.235 -11.831 1.00 0.00 H new ATOM 0 HA3 GLY A 633 -3.449 -12.787 -13.448 1.00 0.00 H new TER 1480 GLY A 633