USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 845 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 545 CYS SG : rot 13:sc= -1.78 USER MOD Set 1.2: A 624 MET CE :methyl 173:sc= -0.132 (180deg=-0.15) USER MOD Single : A 530 SER OG : rot 180:sc= 0 USER MOD Single : A 531 SER OG : rot -65:sc= 0.0789 USER MOD Single : A 533 SER OG : rot 180:sc= 0 USER MOD Single : A 534 SER OG : rot 180:sc= -0.0927 USER MOD Single : A 540 ASN : amide:sc= -0.801 K(o=-0.8,f=-1.7!) USER MOD Single : A 541 SER OG : rot 180:sc= -0.0149 USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 547 HIS :FLIP no HE2:sc= -0.873 F(o=-2.2,f=-0.87) USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= -2.4 X(o=-2.4,f=-2.2!) USER MOD Single : A 554 SER OG : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 562 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.3!) USER MOD Single : A 572 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.7) USER MOD Single : A 575 HIS :FLIP no HD1:sc= -0.776 F(o=-2.4,f=-0.78) USER MOD Single : A 580 ASN : amide:sc=-0.00315 X(o=-0.0032,f=-0.35) USER MOD Single : A 581 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.8!) USER MOD Single : A 583 GLN : amide:sc= -0.0392 K(o=-0.039,f=-1.3) USER MOD Single : A 587 GLN : amide:sc= -2.12! C(o=-2.1!,f=-3.5!) USER MOD Single : A 591 GLN : amide:sc= -0.893 X(o=-0.89,f=-0.66) USER MOD Single : A 593 LYS NZ :NH3+ -163:sc= -0.0341 (180deg=-0.263) USER MOD Single : A 594 ASN : amide:sc= -1.43 K(o=-1.4,f=-4.4!) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 SER OG : rot -57:sc= 0.214 USER MOD Single : A 605 HIS : no HD1:sc= -3.96! C(o=-4!,f=-7!) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -1.13! C(o=-1.1!,f=-2.6!) USER MOD Single : A 617 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 620 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 630 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 634 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 636 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 637 SER OG : rot 180:sc= 0 USER MOD Single : A 640 SER OG : rot 180:sc= 0 USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 529 5.260 13.349 -28.963 1.00 0.00 N ATOM 2 CA GLY A 529 5.569 11.946 -29.172 1.00 0.00 C ATOM 3 C GLY A 529 5.588 11.158 -27.877 1.00 0.00 C ATOM 4 O GLY A 529 5.565 11.736 -26.790 1.00 0.00 O ATOM 0 HA2 GLY A 529 4.832 11.511 -29.847 1.00 0.00 H new ATOM 0 HA3 GLY A 529 6.539 11.860 -29.661 1.00 0.00 H new ATOM 8 N SER A 530 5.627 9.835 -27.991 1.00 0.00 N ATOM 9 CA SER A 530 5.645 8.966 -26.820 1.00 0.00 C ATOM 10 C SER A 530 6.816 9.309 -25.906 1.00 0.00 C ATOM 11 O SER A 530 7.966 8.988 -26.206 1.00 0.00 O ATOM 12 CB SER A 530 5.729 7.499 -27.248 1.00 0.00 C ATOM 13 OG SER A 530 5.192 6.646 -26.253 1.00 0.00 O ATOM 0 H SER A 530 5.647 9.341 -28.883 1.00 0.00 H new ATOM 0 HA SER A 530 4.718 9.123 -26.268 1.00 0.00 H new ATOM 0 HB2 SER A 530 5.187 7.358 -28.183 1.00 0.00 H new ATOM 0 HB3 SER A 530 6.768 7.231 -27.438 1.00 0.00 H new ATOM 0 HG SER A 530 5.256 5.715 -26.551 1.00 0.00 H new ATOM 19 N SER A 531 6.516 9.963 -24.789 1.00 0.00 N ATOM 20 CA SER A 531 7.544 10.354 -23.831 1.00 0.00 C ATOM 21 C SER A 531 6.917 10.803 -22.515 1.00 0.00 C ATOM 22 O SER A 531 5.887 11.476 -22.503 1.00 0.00 O ATOM 23 CB SER A 531 8.406 11.478 -24.409 1.00 0.00 C ATOM 24 OG SER A 531 7.659 12.674 -24.552 1.00 0.00 O ATOM 0 H SER A 531 5.569 10.234 -24.525 1.00 0.00 H new ATOM 0 HA SER A 531 8.174 9.486 -23.635 1.00 0.00 H new ATOM 0 HB2 SER A 531 9.261 11.656 -23.757 1.00 0.00 H new ATOM 0 HB3 SER A 531 8.802 11.175 -25.378 1.00 0.00 H new ATOM 0 HG SER A 531 6.948 12.539 -25.213 1.00 0.00 H new ATOM 30 N GLY A 532 7.548 10.426 -21.407 1.00 0.00 N ATOM 31 CA GLY A 532 7.039 10.799 -20.100 1.00 0.00 C ATOM 32 C GLY A 532 6.696 12.272 -20.010 1.00 0.00 C ATOM 33 O GLY A 532 7.383 13.114 -20.589 1.00 0.00 O ATOM 0 H GLY A 532 8.402 9.869 -21.391 1.00 0.00 H new ATOM 0 HA2 GLY A 532 6.151 10.208 -19.877 1.00 0.00 H new ATOM 0 HA3 GLY A 532 7.782 10.555 -19.341 1.00 0.00 H new ATOM 37 N SER A 533 5.628 12.586 -19.283 1.00 0.00 N ATOM 38 CA SER A 533 5.193 13.968 -19.122 1.00 0.00 C ATOM 39 C SER A 533 5.793 14.585 -17.862 1.00 0.00 C ATOM 40 O SER A 533 5.268 14.412 -16.763 1.00 0.00 O ATOM 41 CB SER A 533 3.665 14.040 -19.061 1.00 0.00 C ATOM 42 OG SER A 533 3.085 13.596 -20.275 1.00 0.00 O ATOM 0 H SER A 533 5.049 11.902 -18.796 1.00 0.00 H new ATOM 0 HA SER A 533 5.543 14.535 -19.984 1.00 0.00 H new ATOM 0 HB2 SER A 533 3.302 13.428 -18.235 1.00 0.00 H new ATOM 0 HB3 SER A 533 3.354 15.065 -18.859 1.00 0.00 H new ATOM 0 HG SER A 533 2.109 13.650 -20.210 1.00 0.00 H new ATOM 48 N SER A 534 6.896 15.306 -18.032 1.00 0.00 N ATOM 49 CA SER A 534 7.572 15.946 -16.909 1.00 0.00 C ATOM 50 C SER A 534 6.561 16.579 -15.958 1.00 0.00 C ATOM 51 O SER A 534 6.532 16.266 -14.767 1.00 0.00 O ATOM 52 CB SER A 534 8.549 17.010 -17.414 1.00 0.00 C ATOM 53 OG SER A 534 7.897 17.943 -18.256 1.00 0.00 O ATOM 0 H SER A 534 7.341 15.462 -18.936 1.00 0.00 H new ATOM 0 HA SER A 534 8.127 15.181 -16.366 1.00 0.00 H new ATOM 0 HB2 SER A 534 8.995 17.530 -16.566 1.00 0.00 H new ATOM 0 HB3 SER A 534 9.363 16.531 -17.958 1.00 0.00 H new ATOM 0 HG SER A 534 8.543 18.613 -18.564 1.00 0.00 H new ATOM 59 N GLY A 535 5.733 17.472 -16.491 1.00 0.00 N ATOM 60 CA GLY A 535 4.732 18.135 -15.676 1.00 0.00 C ATOM 61 C GLY A 535 5.341 18.888 -14.509 1.00 0.00 C ATOM 62 O GLY A 535 6.559 18.898 -14.337 1.00 0.00 O ATOM 0 H GLY A 535 5.738 17.748 -17.473 1.00 0.00 H new ATOM 0 HA2 GLY A 535 4.165 18.829 -16.296 1.00 0.00 H new ATOM 0 HA3 GLY A 535 4.027 17.395 -15.299 1.00 0.00 H new ATOM 66 N GLU A 536 4.490 19.518 -13.706 1.00 0.00 N ATOM 67 CA GLU A 536 4.952 20.278 -12.550 1.00 0.00 C ATOM 68 C GLU A 536 4.007 20.098 -11.366 1.00 0.00 C ATOM 69 O GLU A 536 2.842 20.490 -11.421 1.00 0.00 O ATOM 70 CB GLU A 536 5.068 21.763 -12.901 1.00 0.00 C ATOM 71 CG GLU A 536 3.746 22.402 -13.292 1.00 0.00 C ATOM 72 CD GLU A 536 2.988 22.952 -12.101 1.00 0.00 C ATOM 73 OE1 GLU A 536 3.613 23.648 -11.272 1.00 0.00 O ATOM 74 OE2 GLU A 536 1.772 22.689 -11.995 1.00 0.00 O ATOM 0 H GLU A 536 3.478 19.517 -13.834 1.00 0.00 H new ATOM 0 HA GLU A 536 5.935 19.900 -12.269 1.00 0.00 H new ATOM 0 HB2 GLU A 536 5.482 22.298 -12.046 1.00 0.00 H new ATOM 0 HB3 GLU A 536 5.775 21.879 -13.723 1.00 0.00 H new ATOM 0 HG2 GLU A 536 3.932 23.207 -14.002 1.00 0.00 H new ATOM 0 HG3 GLU A 536 3.127 21.664 -13.802 1.00 0.00 H new ATOM 81 N GLY A 537 4.518 19.498 -10.295 1.00 0.00 N ATOM 82 CA GLY A 537 3.706 19.274 -9.112 1.00 0.00 C ATOM 83 C GLY A 537 4.173 20.094 -7.925 1.00 0.00 C ATOM 84 O GLY A 537 4.394 21.298 -8.042 1.00 0.00 O ATOM 0 H GLY A 537 5.479 19.163 -10.225 1.00 0.00 H new ATOM 0 HA2 GLY A 537 2.668 19.522 -9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 537 3.732 18.216 -8.852 1.00 0.00 H new ATOM 88 N ASP A 538 4.323 19.438 -6.779 1.00 0.00 N ATOM 89 CA ASP A 538 4.766 20.113 -5.565 1.00 0.00 C ATOM 90 C ASP A 538 5.577 19.169 -4.683 1.00 0.00 C ATOM 91 O ASP A 538 5.208 18.010 -4.493 1.00 0.00 O ATOM 92 CB ASP A 538 3.563 20.651 -4.786 1.00 0.00 C ATOM 93 CG ASP A 538 3.945 21.755 -3.820 1.00 0.00 C ATOM 94 OD1 ASP A 538 4.849 21.528 -2.989 1.00 0.00 O ATOM 95 OD2 ASP A 538 3.339 22.845 -3.894 1.00 0.00 O ATOM 0 H ASP A 538 4.144 18.440 -6.666 1.00 0.00 H new ATOM 0 HA ASP A 538 5.404 20.948 -5.856 1.00 0.00 H new ATOM 0 HB2 ASP A 538 2.819 21.028 -5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 538 3.097 19.835 -4.234 1.00 0.00 H new ATOM 100 N VAL A 539 6.684 19.674 -4.147 1.00 0.00 N ATOM 101 CA VAL A 539 7.549 18.875 -3.286 1.00 0.00 C ATOM 102 C VAL A 539 6.904 18.643 -1.924 1.00 0.00 C ATOM 103 O VAL A 539 6.971 17.545 -1.372 1.00 0.00 O ATOM 104 CB VAL A 539 8.918 19.551 -3.084 1.00 0.00 C ATOM 105 CG1 VAL A 539 9.665 19.649 -4.406 1.00 0.00 C ATOM 106 CG2 VAL A 539 8.747 20.925 -2.456 1.00 0.00 C ATOM 0 H VAL A 539 7.003 20.632 -4.294 1.00 0.00 H new ATOM 0 HA VAL A 539 7.695 17.917 -3.785 1.00 0.00 H new ATOM 0 HB VAL A 539 9.509 18.938 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 539 10.630 20.129 -4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 539 9.821 18.649 -4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 539 9.080 20.239 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 539 9.725 21.387 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 539 8.137 21.550 -3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 539 8.256 20.824 -1.488 1.00 0.00 H new ATOM 116 N ASN A 540 6.276 19.685 -1.387 1.00 0.00 N ATOM 117 CA ASN A 540 5.619 19.594 -0.088 1.00 0.00 C ATOM 118 C ASN A 540 4.719 18.364 -0.019 1.00 0.00 C ATOM 119 O ASN A 540 4.723 17.634 0.974 1.00 0.00 O ATOM 120 CB ASN A 540 4.795 20.856 0.178 1.00 0.00 C ATOM 121 CG ASN A 540 3.867 20.700 1.367 1.00 0.00 C ATOM 122 OD1 ASN A 540 4.073 19.837 2.221 1.00 0.00 O ATOM 123 ND2 ASN A 540 2.837 21.537 1.429 1.00 0.00 N ATOM 0 H ASN A 540 6.208 20.601 -1.831 1.00 0.00 H new ATOM 0 HA ASN A 540 6.391 19.502 0.676 1.00 0.00 H new ATOM 0 HB2 ASN A 540 5.468 21.696 0.353 1.00 0.00 H new ATOM 0 HB3 ASN A 540 4.208 21.097 -0.708 1.00 0.00 H new ATOM 0 HD21 ASN A 540 2.179 21.479 2.206 1.00 0.00 H new ATOM 0 HD22 ASN A 540 2.704 22.237 0.699 1.00 0.00 H new ATOM 130 N SER A 541 3.951 18.138 -1.080 1.00 0.00 N ATOM 131 CA SER A 541 3.044 16.997 -1.138 1.00 0.00 C ATOM 132 C SER A 541 3.528 15.971 -2.159 1.00 0.00 C ATOM 133 O SER A 541 3.102 15.980 -3.313 1.00 0.00 O ATOM 134 CB SER A 541 1.630 17.460 -1.492 1.00 0.00 C ATOM 135 OG SER A 541 0.707 16.387 -1.413 1.00 0.00 O ATOM 0 H SER A 541 3.939 18.729 -1.911 1.00 0.00 H new ATOM 0 HA SER A 541 3.028 16.526 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 541 1.325 18.257 -0.814 1.00 0.00 H new ATOM 0 HB3 SER A 541 1.622 17.877 -2.499 1.00 0.00 H new ATOM 0 HG SER A 541 -0.190 16.709 -1.642 1.00 0.00 H new ATOM 141 N ALA A 542 4.419 15.086 -1.723 1.00 0.00 N ATOM 142 CA ALA A 542 4.959 14.053 -2.597 1.00 0.00 C ATOM 143 C ALA A 542 4.323 12.698 -2.303 1.00 0.00 C ATOM 144 O ALA A 542 4.049 12.366 -1.149 1.00 0.00 O ATOM 145 CB ALA A 542 6.470 13.971 -2.446 1.00 0.00 C ATOM 0 H ALA A 542 4.782 15.064 -0.770 1.00 0.00 H new ATOM 0 HA ALA A 542 4.721 14.322 -3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 542 6.860 13.195 -3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 542 6.915 14.930 -2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 542 6.720 13.729 -1.413 1.00 0.00 H new ATOM 151 N LYS A 543 4.089 11.919 -3.354 1.00 0.00 N ATOM 152 CA LYS A 543 3.485 10.600 -3.210 1.00 0.00 C ATOM 153 C LYS A 543 4.547 9.545 -2.914 1.00 0.00 C ATOM 154 O LYS A 543 5.264 9.104 -3.811 1.00 0.00 O ATOM 155 CB LYS A 543 2.719 10.225 -4.480 1.00 0.00 C ATOM 156 CG LYS A 543 1.299 10.764 -4.516 1.00 0.00 C ATOM 157 CD LYS A 543 0.778 10.867 -5.939 1.00 0.00 C ATOM 158 CE LYS A 543 1.156 12.195 -6.577 1.00 0.00 C ATOM 159 NZ LYS A 543 0.684 12.289 -7.986 1.00 0.00 N ATOM 0 H LYS A 543 4.309 12.179 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 543 2.790 10.636 -2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.263 10.600 -5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 543 2.689 9.139 -4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 543 0.647 10.112 -3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.270 11.746 -4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 543 1.181 10.048 -6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 543 -0.307 10.758 -5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 543 0.728 13.012 -5.996 1.00 0.00 H new ATOM 0 HE3 LYS A 543 2.239 12.316 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 0.962 13.209 -8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 1.112 11.525 -8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 -0.352 12.199 -8.012 1.00 0.00 H new ATOM 173 N VAL A 544 4.639 9.144 -1.649 1.00 0.00 N ATOM 174 CA VAL A 544 5.611 8.139 -1.236 1.00 0.00 C ATOM 175 C VAL A 544 4.945 7.030 -0.429 1.00 0.00 C ATOM 176 O VAL A 544 5.575 6.407 0.427 1.00 0.00 O ATOM 177 CB VAL A 544 6.741 8.762 -0.396 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.554 9.737 -1.233 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.170 9.453 0.834 1.00 0.00 C ATOM 0 H VAL A 544 4.053 9.500 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 544 6.036 7.717 -2.147 1.00 0.00 H new ATOM 0 HB VAL A 544 7.405 7.964 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.348 10.167 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 544 7.993 9.211 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 544 6.905 10.533 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 544 6.982 9.888 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.484 10.241 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.635 8.726 1.444 1.00 0.00 H new ATOM 189 N CYS A 545 3.669 6.788 -0.708 1.00 0.00 N ATOM 190 CA CYS A 545 2.917 5.752 -0.008 1.00 0.00 C ATOM 191 C CYS A 545 2.019 4.986 -0.973 1.00 0.00 C ATOM 192 O CYS A 545 1.369 5.577 -1.834 1.00 0.00 O ATOM 193 CB CYS A 545 2.075 6.372 1.109 1.00 0.00 C ATOM 194 SG CYS A 545 3.026 6.872 2.562 1.00 0.00 S ATOM 0 H CYS A 545 3.134 7.294 -1.413 1.00 0.00 H new ATOM 0 HA CYS A 545 3.629 5.052 0.429 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.552 7.243 0.714 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.314 5.655 1.416 1.00 0.00 H new ATOM 0 HG CYS A 545 4.295 6.849 2.279 1.00 0.00 H new ATOM 200 N ALA A 546 1.990 3.665 -0.824 1.00 0.00 N ATOM 201 CA ALA A 546 1.172 2.817 -1.682 1.00 0.00 C ATOM 202 C ALA A 546 0.278 1.900 -0.855 1.00 0.00 C ATOM 203 O ALA A 546 0.759 1.140 -0.014 1.00 0.00 O ATOM 204 CB ALA A 546 2.056 1.999 -2.611 1.00 0.00 C ATOM 0 H ALA A 546 2.524 3.160 -0.117 1.00 0.00 H new ATOM 0 HA ALA A 546 0.530 3.461 -2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.432 1.370 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.648 2.670 -3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.722 1.370 -2.020 1.00 0.00 H new ATOM 210 N HIS A 547 -1.027 1.975 -1.100 1.00 0.00 N ATOM 211 CA HIS A 547 -1.988 1.150 -0.378 1.00 0.00 C ATOM 212 C HIS A 547 -2.337 -0.103 -1.175 1.00 0.00 C ATOM 213 O HIS A 547 -2.705 -0.022 -2.348 1.00 0.00 O ATOM 214 CB HIS A 547 -3.257 1.950 -0.082 1.00 0.00 C ATOM 215 CG HIS A 547 -4.252 1.208 0.757 1.00 0.00 C ATOM 216 ND1 HIS A 547 -4.073 0.349 1.788 1.00 0.00 N flip ATOM 217 CD2 HIS A 547 -5.615 1.310 0.575 1.00 0.00 C flip ATOM 218 CE1 HIS A 547 -5.320 -0.049 2.206 1.00 0.00 C flip ATOM 219 NE2 HIS A 547 -6.233 0.546 1.459 1.00 0.00 N flip ATOM 0 H HIS A 547 -1.442 2.598 -1.792 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.532 0.844 0.563 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -2.983 2.874 0.426 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.727 2.232 -1.024 1.00 0.00 H new ATOM 0 HD1 HIS A 547 -3.180 0.053 2.181 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -6.101 1.919 -0.173 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -5.521 -0.737 3.014 1.00 0.00 H new ATOM 227 N ILE A 548 -2.220 -1.259 -0.532 1.00 0.00 N ATOM 228 CA ILE A 548 -2.522 -2.528 -1.182 1.00 0.00 C ATOM 229 C ILE A 548 -3.867 -3.077 -0.716 1.00 0.00 C ATOM 230 O ILE A 548 -4.099 -3.252 0.482 1.00 0.00 O ATOM 231 CB ILE A 548 -1.429 -3.578 -0.906 1.00 0.00 C ATOM 232 CG1 ILE A 548 -0.048 -3.005 -1.231 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.690 -4.840 -1.714 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.093 -3.836 -0.690 1.00 0.00 C ATOM 0 H ILE A 548 -1.918 -1.343 0.439 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.562 -2.331 -2.253 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.454 -3.838 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 548 0.056 -2.920 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 548 0.023 -1.996 -0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.909 -5.572 -1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.659 -5.255 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.689 -4.598 -2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.041 -3.370 -0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 548 1.014 -3.900 0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.048 -4.838 -1.117 1.00 0.00 H new ATOM 246 N THR A 549 -4.751 -3.350 -1.670 1.00 0.00 N ATOM 247 CA THR A 549 -6.073 -3.880 -1.358 1.00 0.00 C ATOM 248 C THR A 549 -6.375 -5.125 -2.185 1.00 0.00 C ATOM 249 O THR A 549 -5.538 -5.585 -2.959 1.00 0.00 O ATOM 250 CB THR A 549 -7.173 -2.831 -1.611 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.086 -2.344 -2.954 1.00 0.00 O ATOM 252 CG2 THR A 549 -7.047 -1.670 -0.636 1.00 0.00 C ATOM 0 H THR A 549 -4.576 -3.213 -2.665 1.00 0.00 H new ATOM 0 HA THR A 549 -6.067 -4.142 -0.300 1.00 0.00 H new ATOM 0 HB THR A 549 -8.141 -3.308 -1.460 1.00 0.00 H new ATOM 0 HG1 THR A 549 -7.789 -1.679 -3.107 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.834 -0.942 -0.833 1.00 0.00 H new ATOM 0 HG22 THR A 549 -7.143 -2.040 0.385 1.00 0.00 H new ATOM 0 HG23 THR A 549 -6.074 -1.195 -0.760 1.00 0.00 H new ATOM 260 N ASN A 550 -7.578 -5.665 -2.015 1.00 0.00 N ATOM 261 CA ASN A 550 -7.990 -6.857 -2.746 1.00 0.00 C ATOM 262 C ASN A 550 -7.012 -8.004 -2.511 1.00 0.00 C ATOM 263 O ASN A 550 -6.808 -8.848 -3.384 1.00 0.00 O ATOM 264 CB ASN A 550 -8.090 -6.555 -4.242 1.00 0.00 C ATOM 265 CG ASN A 550 -8.928 -7.578 -4.985 1.00 0.00 C ATOM 266 OD1 ASN A 550 -8.926 -8.761 -4.646 1.00 0.00 O ATOM 267 ND2 ASN A 550 -9.649 -7.124 -6.003 1.00 0.00 N ATOM 0 H ASN A 550 -8.284 -5.296 -1.378 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.971 -7.158 -2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.523 -5.565 -4.382 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -7.089 -6.529 -4.672 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -10.233 -7.765 -6.540 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -9.619 -6.134 -6.248 1.00 0.00 H new ATOM 274 N ILE A 551 -6.411 -8.029 -1.327 1.00 0.00 N ATOM 275 CA ILE A 551 -5.455 -9.073 -0.977 1.00 0.00 C ATOM 276 C ILE A 551 -6.085 -10.107 -0.050 1.00 0.00 C ATOM 277 O ILE A 551 -7.033 -9.823 0.682 1.00 0.00 O ATOM 278 CB ILE A 551 -4.202 -8.486 -0.299 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.606 -7.546 0.839 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.342 -7.755 -1.318 1.00 0.00 C ATOM 281 CD1 ILE A 551 -3.476 -7.235 1.795 1.00 0.00 C ATOM 0 H ILE A 551 -6.569 -7.338 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.160 -9.556 -1.909 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.616 -9.304 0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -4.979 -6.614 0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -5.429 -7.995 1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.461 -7.346 -0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -3.031 -8.451 -2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -3.917 -6.944 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.834 -6.564 2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -3.118 -8.159 2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.661 -6.757 1.252 1.00 0.00 H new ATOM 293 N PRO A 552 -5.546 -11.334 -0.078 1.00 0.00 N ATOM 294 CA PRO A 552 -6.038 -12.435 0.756 1.00 0.00 C ATOM 295 C PRO A 552 -5.576 -12.316 2.204 1.00 0.00 C ATOM 296 O PRO A 552 -4.391 -12.116 2.474 1.00 0.00 O ATOM 297 CB PRO A 552 -5.429 -13.677 0.100 1.00 0.00 C ATOM 298 CG PRO A 552 -4.180 -13.188 -0.549 1.00 0.00 C ATOM 299 CD PRO A 552 -4.414 -11.743 -0.927 1.00 0.00 C ATOM 0 HA PRO A 552 -7.127 -12.454 0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -5.215 -14.450 0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -6.110 -14.113 -0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.332 -13.276 0.131 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -3.945 -13.784 -1.431 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.531 -11.132 -0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -4.651 -11.640 -1.986 1.00 0.00 H new ATOM 307 N PHE A 553 -6.518 -12.440 3.133 1.00 0.00 N ATOM 308 CA PHE A 553 -6.207 -12.346 4.555 1.00 0.00 C ATOM 309 C PHE A 553 -5.481 -13.598 5.036 1.00 0.00 C ATOM 310 O PHE A 553 -5.084 -13.691 6.198 1.00 0.00 O ATOM 311 CB PHE A 553 -7.488 -12.142 5.367 1.00 0.00 C ATOM 312 CG PHE A 553 -8.626 -13.017 4.921 1.00 0.00 C ATOM 313 CD1 PHE A 553 -9.509 -12.583 3.945 1.00 0.00 C ATOM 314 CD2 PHE A 553 -8.811 -14.272 5.478 1.00 0.00 C ATOM 315 CE1 PHE A 553 -10.556 -13.386 3.534 1.00 0.00 C ATOM 316 CE2 PHE A 553 -9.857 -15.078 5.070 1.00 0.00 C ATOM 317 CZ PHE A 553 -10.729 -14.635 4.097 1.00 0.00 C ATOM 0 H PHE A 553 -7.503 -12.606 2.927 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.552 -11.488 4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -7.278 -12.340 6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -7.793 -11.098 5.294 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -9.378 -11.607 3.501 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -8.131 -14.624 6.239 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -11.238 -13.037 2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -9.992 -16.054 5.513 1.00 0.00 H new ATOM 0 HZ PHE A 553 -11.546 -15.264 3.776 1.00 0.00 H new ATOM 327 N SER A 554 -5.309 -14.560 4.135 1.00 0.00 N ATOM 328 CA SER A 554 -4.635 -15.809 4.468 1.00 0.00 C ATOM 329 C SER A 554 -3.140 -15.580 4.676 1.00 0.00 C ATOM 330 O SER A 554 -2.495 -16.289 5.449 1.00 0.00 O ATOM 331 CB SER A 554 -4.854 -16.843 3.362 1.00 0.00 C ATOM 332 OG SER A 554 -6.147 -17.417 3.451 1.00 0.00 O ATOM 0 H SER A 554 -5.628 -14.498 3.168 1.00 0.00 H new ATOM 0 HA SER A 554 -5.061 -16.186 5.398 1.00 0.00 H new ATOM 0 HB2 SER A 554 -4.728 -16.371 2.388 1.00 0.00 H new ATOM 0 HB3 SER A 554 -4.099 -17.626 3.436 1.00 0.00 H new ATOM 0 HG SER A 554 -6.264 -18.073 2.733 1.00 0.00 H new ATOM 338 N ILE A 555 -2.599 -14.586 3.981 1.00 0.00 N ATOM 339 CA ILE A 555 -1.181 -14.263 4.091 1.00 0.00 C ATOM 340 C ILE A 555 -0.923 -13.310 5.251 1.00 0.00 C ATOM 341 O ILE A 555 -1.855 -12.751 5.831 1.00 0.00 O ATOM 342 CB ILE A 555 -0.647 -13.629 2.792 1.00 0.00 C ATOM 343 CG1 ILE A 555 -1.099 -12.170 2.687 1.00 0.00 C ATOM 344 CG2 ILE A 555 -1.117 -14.423 1.583 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.495 -11.434 1.513 1.00 0.00 C ATOM 0 H ILE A 555 -3.119 -13.991 3.337 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.656 -15.201 4.271 1.00 0.00 H new ATOM 0 HB ILE A 555 0.443 -13.651 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.185 -12.140 2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.835 -11.649 3.607 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.732 -13.963 0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -0.750 -15.447 1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.207 -14.429 1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.859 -10.407 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.591 -11.433 1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.781 -11.931 0.586 1.00 0.00 H new ATOM 357 N THR A 556 0.350 -13.128 5.589 1.00 0.00 N ATOM 358 CA THR A 556 0.733 -12.242 6.681 1.00 0.00 C ATOM 359 C THR A 556 1.782 -11.232 6.228 1.00 0.00 C ATOM 360 O THR A 556 2.348 -11.353 5.141 1.00 0.00 O ATOM 361 CB THR A 556 1.285 -13.035 7.880 1.00 0.00 C ATOM 362 OG1 THR A 556 2.280 -13.965 7.437 1.00 0.00 O ATOM 363 CG2 THR A 556 0.169 -13.781 8.595 1.00 0.00 C ATOM 0 H THR A 556 1.134 -13.583 5.121 1.00 0.00 H new ATOM 0 HA THR A 556 -0.168 -11.712 6.989 1.00 0.00 H new ATOM 0 HB THR A 556 1.734 -12.329 8.578 1.00 0.00 H new ATOM 0 HG1 THR A 556 2.627 -14.464 8.206 1.00 0.00 H new ATOM 0 HG21 THR A 556 0.583 -14.334 9.438 1.00 0.00 H new ATOM 0 HG22 THR A 556 -0.572 -13.068 8.957 1.00 0.00 H new ATOM 0 HG23 THR A 556 -0.305 -14.477 7.903 1.00 0.00 H new ATOM 371 N LYS A 557 2.037 -10.234 7.068 1.00 0.00 N ATOM 372 CA LYS A 557 3.019 -9.203 6.756 1.00 0.00 C ATOM 373 C LYS A 557 4.212 -9.796 6.014 1.00 0.00 C ATOM 374 O LYS A 557 4.623 -9.284 4.972 1.00 0.00 O ATOM 375 CB LYS A 557 3.492 -8.516 8.039 1.00 0.00 C ATOM 376 CG LYS A 557 4.056 -7.124 7.810 1.00 0.00 C ATOM 377 CD LYS A 557 4.235 -6.373 9.120 1.00 0.00 C ATOM 378 CE LYS A 557 5.286 -5.281 8.997 1.00 0.00 C ATOM 379 NZ LYS A 557 5.653 -4.711 10.323 1.00 0.00 N ATOM 0 H LYS A 557 1.576 -10.118 7.971 1.00 0.00 H new ATOM 0 HA LYS A 557 2.543 -8.465 6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 557 2.656 -8.450 8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 557 4.254 -9.135 8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 557 5.015 -7.199 7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 557 3.389 -6.563 7.156 1.00 0.00 H new ATOM 0 HD2 LYS A 557 3.284 -5.932 9.421 1.00 0.00 H new ATOM 0 HD3 LYS A 557 4.525 -7.072 9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 557 6.177 -5.687 8.517 1.00 0.00 H new ATOM 0 HE3 LYS A 557 4.910 -4.487 8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 6.372 -3.970 10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 4.808 -4.301 10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 6.035 -5.463 10.931 1.00 0.00 H new ATOM 393 N MET A 558 4.765 -10.876 6.557 1.00 0.00 N ATOM 394 CA MET A 558 5.909 -11.539 5.944 1.00 0.00 C ATOM 395 C MET A 558 5.674 -11.764 4.453 1.00 0.00 C ATOM 396 O MET A 558 6.489 -11.369 3.619 1.00 0.00 O ATOM 397 CB MET A 558 6.183 -12.875 6.636 1.00 0.00 C ATOM 398 CG MET A 558 6.638 -12.730 8.078 1.00 0.00 C ATOM 399 SD MET A 558 7.647 -14.118 8.631 1.00 0.00 S ATOM 400 CE MET A 558 9.275 -13.371 8.642 1.00 0.00 C ATOM 0 H MET A 558 4.439 -11.310 7.420 1.00 0.00 H new ATOM 0 HA MET A 558 6.778 -10.892 6.063 1.00 0.00 H new ATOM 0 HB2 MET A 558 5.278 -13.481 6.609 1.00 0.00 H new ATOM 0 HB3 MET A 558 6.946 -13.415 6.076 1.00 0.00 H new ATOM 0 HG2 MET A 558 7.208 -11.807 8.184 1.00 0.00 H new ATOM 0 HG3 MET A 558 5.764 -12.641 8.723 1.00 0.00 H new ATOM 0 HE1 MET A 558 10.011 -14.108 8.964 1.00 0.00 H new ATOM 0 HE2 MET A 558 9.523 -13.025 7.639 1.00 0.00 H new ATOM 0 HE3 MET A 558 9.283 -12.526 9.330 1.00 0.00 H new ATOM 410 N ASP A 559 4.554 -12.399 4.125 1.00 0.00 N ATOM 411 CA ASP A 559 4.211 -12.676 2.735 1.00 0.00 C ATOM 412 C ASP A 559 4.285 -11.405 1.894 1.00 0.00 C ATOM 413 O ASP A 559 4.907 -11.386 0.832 1.00 0.00 O ATOM 414 CB ASP A 559 2.810 -13.282 2.644 1.00 0.00 C ATOM 415 CG ASP A 559 2.820 -14.790 2.802 1.00 0.00 C ATOM 416 OD1 ASP A 559 3.804 -15.424 2.369 1.00 0.00 O ATOM 417 OD2 ASP A 559 1.843 -15.335 3.358 1.00 0.00 O ATOM 0 H ASP A 559 3.868 -12.732 4.803 1.00 0.00 H new ATOM 0 HA ASP A 559 4.934 -13.392 2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.177 -12.843 3.415 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.367 -13.023 1.682 1.00 0.00 H new ATOM 422 N VAL A 560 3.644 -10.344 2.376 1.00 0.00 N ATOM 423 CA VAL A 560 3.637 -9.069 1.669 1.00 0.00 C ATOM 424 C VAL A 560 5.054 -8.620 1.331 1.00 0.00 C ATOM 425 O VAL A 560 5.359 -8.303 0.180 1.00 0.00 O ATOM 426 CB VAL A 560 2.947 -7.971 2.500 1.00 0.00 C ATOM 427 CG1 VAL A 560 3.120 -6.613 1.839 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.473 -8.295 2.691 1.00 0.00 C ATOM 0 H VAL A 560 3.123 -10.343 3.253 1.00 0.00 H new ATOM 0 HA VAL A 560 3.078 -9.222 0.746 1.00 0.00 H new ATOM 0 HB VAL A 560 3.418 -7.933 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.626 -5.850 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 560 4.182 -6.380 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.677 -6.634 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 560 1.001 -7.509 3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 560 0.986 -8.361 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.374 -9.248 3.212 1.00 0.00 H new ATOM 438 N LEU A 561 5.918 -8.596 2.340 1.00 0.00 N ATOM 439 CA LEU A 561 7.305 -8.186 2.150 1.00 0.00 C ATOM 440 C LEU A 561 7.889 -8.812 0.887 1.00 0.00 C ATOM 441 O LEU A 561 8.630 -8.163 0.149 1.00 0.00 O ATOM 442 CB LEU A 561 8.145 -8.583 3.365 1.00 0.00 C ATOM 443 CG LEU A 561 7.853 -7.823 4.660 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.788 -8.280 5.768 1.00 0.00 C ATOM 445 CD2 LEU A 561 7.977 -6.323 4.438 1.00 0.00 C ATOM 0 H LEU A 561 5.683 -8.856 3.298 1.00 0.00 H new ATOM 0 HA LEU A 561 7.327 -7.102 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 561 7.999 -9.647 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.197 -8.445 3.115 1.00 0.00 H new ATOM 0 HG LEU A 561 6.829 -8.040 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.566 -7.729 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.649 -9.347 5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.821 -8.093 5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 561 7.766 -5.799 5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 561 8.989 -6.086 4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 561 7.265 -6.008 3.675 1.00 0.00 H new ATOM 457 N GLN A 562 7.549 -10.074 0.646 1.00 0.00 N ATOM 458 CA GLN A 562 8.040 -10.785 -0.528 1.00 0.00 C ATOM 459 C GLN A 562 7.452 -10.196 -1.807 1.00 0.00 C ATOM 460 O GLN A 562 8.145 -10.060 -2.815 1.00 0.00 O ATOM 461 CB GLN A 562 7.693 -12.272 -0.431 1.00 0.00 C ATOM 462 CG GLN A 562 8.155 -13.084 -1.632 1.00 0.00 C ATOM 463 CD GLN A 562 9.664 -13.157 -1.739 1.00 0.00 C ATOM 464 OE1 GLN A 562 10.309 -12.228 -2.228 1.00 0.00 O ATOM 465 NE2 GLN A 562 10.239 -14.265 -1.283 1.00 0.00 N ATOM 0 H GLN A 562 6.936 -10.624 1.247 1.00 0.00 H new ATOM 0 HA GLN A 562 9.124 -10.673 -0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 562 8.145 -12.684 0.471 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.613 -12.379 -0.324 1.00 0.00 H new ATOM 0 HG2 GLN A 562 7.750 -14.094 -1.561 1.00 0.00 H new ATOM 0 HG3 GLN A 562 7.751 -12.642 -2.542 1.00 0.00 H new ATOM 0 HE21 GLN A 562 9.667 -15.010 -0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 562 11.252 -14.370 -1.330 1.00 0.00 H new ATOM 474 N PHE A 563 6.171 -9.848 -1.757 1.00 0.00 N ATOM 475 CA PHE A 563 5.489 -9.274 -2.911 1.00 0.00 C ATOM 476 C PHE A 563 6.266 -8.082 -3.464 1.00 0.00 C ATOM 477 O PHE A 563 6.293 -7.852 -4.674 1.00 0.00 O ATOM 478 CB PHE A 563 4.073 -8.841 -2.531 1.00 0.00 C ATOM 479 CG PHE A 563 3.343 -8.136 -3.639 1.00 0.00 C ATOM 480 CD1 PHE A 563 3.067 -8.789 -4.829 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.934 -6.821 -3.490 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.395 -8.143 -5.850 1.00 0.00 C ATOM 483 CE2 PHE A 563 2.261 -6.171 -4.507 1.00 0.00 C ATOM 484 CZ PHE A 563 1.993 -6.832 -5.690 1.00 0.00 C ATOM 0 H PHE A 563 5.584 -9.953 -0.930 1.00 0.00 H new ATOM 0 HA PHE A 563 5.431 -10.040 -3.685 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.501 -9.719 -2.232 1.00 0.00 H new ATOM 0 HB3 PHE A 563 4.124 -8.183 -1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 563 3.380 -9.814 -4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 563 3.143 -6.298 -2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 563 2.185 -8.664 -6.772 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.945 -5.147 -4.377 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.470 -6.325 -6.487 1.00 0.00 H new ATOM 494 N LEU A 564 6.896 -7.327 -2.570 1.00 0.00 N ATOM 495 CA LEU A 564 7.673 -6.159 -2.967 1.00 0.00 C ATOM 496 C LEU A 564 9.103 -6.550 -3.320 1.00 0.00 C ATOM 497 O LEU A 564 10.031 -5.758 -3.159 1.00 0.00 O ATOM 498 CB LEU A 564 7.678 -5.120 -1.844 1.00 0.00 C ATOM 499 CG LEU A 564 6.342 -4.433 -1.558 1.00 0.00 C ATOM 500 CD1 LEU A 564 6.434 -3.590 -0.296 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.919 -3.577 -2.743 1.00 0.00 C ATOM 0 H LEU A 564 6.884 -7.503 -1.565 1.00 0.00 H new ATOM 0 HA LEU A 564 7.206 -5.727 -3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 564 8.017 -5.605 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 564 8.413 -4.353 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 564 5.586 -5.202 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 564 5.474 -3.109 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 564 6.691 -4.228 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 564 7.203 -2.828 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.966 -3.096 -2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 564 6.676 -2.815 -2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.811 -4.206 -3.626 1.00 0.00 H new ATOM 513 N GLU A 565 9.274 -7.776 -3.804 1.00 0.00 N ATOM 514 CA GLU A 565 10.592 -8.272 -4.181 1.00 0.00 C ATOM 515 C GLU A 565 11.237 -7.365 -5.224 1.00 0.00 C ATOM 516 O GLU A 565 10.690 -7.161 -6.307 1.00 0.00 O ATOM 517 CB GLU A 565 10.490 -9.700 -4.722 1.00 0.00 C ATOM 518 CG GLU A 565 11.837 -10.332 -5.030 1.00 0.00 C ATOM 519 CD GLU A 565 11.729 -11.814 -5.330 1.00 0.00 C ATOM 520 OE1 GLU A 565 11.370 -12.583 -4.414 1.00 0.00 O ATOM 521 OE2 GLU A 565 12.007 -12.207 -6.483 1.00 0.00 O ATOM 0 H GLU A 565 8.516 -8.444 -3.944 1.00 0.00 H new ATOM 0 HA GLU A 565 11.219 -8.274 -3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 565 9.966 -10.319 -3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 565 9.885 -9.694 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 565 12.286 -9.824 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 565 12.506 -10.184 -4.182 1.00 0.00 H new ATOM 528 N GLY A 566 12.403 -6.820 -4.889 1.00 0.00 N ATOM 529 CA GLY A 566 13.102 -5.941 -5.806 1.00 0.00 C ATOM 530 C GLY A 566 13.230 -4.528 -5.272 1.00 0.00 C ATOM 531 O GLY A 566 14.233 -3.856 -5.509 1.00 0.00 O ATOM 0 H GLY A 566 12.875 -6.972 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 566 14.096 -6.343 -6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.572 -5.919 -6.758 1.00 0.00 H new ATOM 535 N ILE A 567 12.210 -4.077 -4.550 1.00 0.00 N ATOM 536 CA ILE A 567 12.212 -2.735 -3.982 1.00 0.00 C ATOM 537 C ILE A 567 12.783 -2.737 -2.568 1.00 0.00 C ATOM 538 O ILE A 567 12.416 -3.556 -1.725 1.00 0.00 O ATOM 539 CB ILE A 567 10.793 -2.134 -3.950 1.00 0.00 C ATOM 540 CG1 ILE A 567 10.227 -2.030 -5.367 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.811 -0.769 -3.278 1.00 0.00 C ATOM 542 CD1 ILE A 567 8.728 -1.835 -5.406 1.00 0.00 C ATOM 0 H ILE A 567 11.372 -4.621 -4.345 1.00 0.00 H new ATOM 0 HA ILE A 567 12.843 -2.122 -4.625 1.00 0.00 H new ATOM 0 HB ILE A 567 10.148 -2.794 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 567 10.707 -1.197 -5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 567 10.482 -2.935 -5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 567 9.802 -0.357 -3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 567 11.176 -0.871 -2.256 1.00 0.00 H new ATOM 0 HG23 ILE A 567 11.468 -0.099 -3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 567 8.396 -1.770 -6.442 1.00 0.00 H new ATOM 0 HD12 ILE A 567 8.238 -2.680 -4.921 1.00 0.00 H new ATOM 0 HD13 ILE A 567 8.467 -0.915 -4.883 1.00 0.00 H new ATOM 554 N PRO A 568 13.703 -1.799 -2.300 1.00 0.00 N ATOM 555 CA PRO A 568 14.343 -1.669 -0.988 1.00 0.00 C ATOM 556 C PRO A 568 13.444 -0.976 0.030 1.00 0.00 C ATOM 557 O PRO A 568 13.303 0.247 0.016 1.00 0.00 O ATOM 558 CB PRO A 568 15.580 -0.816 -1.279 1.00 0.00 C ATOM 559 CG PRO A 568 15.204 0.003 -2.465 1.00 0.00 C ATOM 560 CD PRO A 568 14.188 -0.790 -3.258 1.00 0.00 C ATOM 0 HA PRO A 568 14.572 -2.640 -0.549 1.00 0.00 H new ATOM 0 HB2 PRO A 568 15.836 -0.186 -0.427 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.450 -1.438 -1.487 1.00 0.00 H new ATOM 0 HG2 PRO A 568 14.786 0.960 -2.154 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.081 0.221 -3.074 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.377 -0.156 -3.616 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.639 -1.255 -4.134 1.00 0.00 H new ATOM 568 N VAL A 569 12.841 -1.765 0.914 1.00 0.00 N ATOM 569 CA VAL A 569 11.957 -1.225 1.940 1.00 0.00 C ATOM 570 C VAL A 569 12.039 -2.046 3.222 1.00 0.00 C ATOM 571 O VAL A 569 12.107 -3.275 3.181 1.00 0.00 O ATOM 572 CB VAL A 569 10.493 -1.190 1.459 1.00 0.00 C ATOM 573 CG1 VAL A 569 9.956 -2.602 1.277 1.00 0.00 C ATOM 574 CG2 VAL A 569 9.631 -0.404 2.435 1.00 0.00 C ATOM 0 H VAL A 569 12.948 -2.779 0.940 1.00 0.00 H new ATOM 0 HA VAL A 569 12.290 -0.207 2.141 1.00 0.00 H new ATOM 0 HB VAL A 569 10.458 -0.687 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 569 8.921 -2.557 0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.559 -3.128 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 569 10.003 -3.134 2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 569 8.601 -0.389 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 569 9.670 -0.876 3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 569 10.004 0.618 2.509 1.00 0.00 H new ATOM 584 N ASP A 570 12.031 -1.360 4.359 1.00 0.00 N ATOM 585 CA ASP A 570 12.103 -2.024 5.655 1.00 0.00 C ATOM 586 C ASP A 570 10.776 -2.695 5.995 1.00 0.00 C ATOM 587 O ASP A 570 9.785 -2.525 5.287 1.00 0.00 O ATOM 588 CB ASP A 570 12.477 -1.022 6.747 1.00 0.00 C ATOM 589 CG ASP A 570 13.237 -1.665 7.889 1.00 0.00 C ATOM 590 OD1 ASP A 570 14.372 -2.133 7.659 1.00 0.00 O ATOM 591 OD2 ASP A 570 12.698 -1.703 9.015 1.00 0.00 O ATOM 0 H ASP A 570 11.975 -0.343 4.410 1.00 0.00 H new ATOM 0 HA ASP A 570 12.875 -2.792 5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 570 13.083 -0.227 6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 570 11.571 -0.557 7.134 1.00 0.00 H new ATOM 596 N GLU A 571 10.767 -3.459 7.084 1.00 0.00 N ATOM 597 CA GLU A 571 9.562 -4.157 7.516 1.00 0.00 C ATOM 598 C GLU A 571 8.543 -3.178 8.093 1.00 0.00 C ATOM 599 O GLU A 571 7.353 -3.253 7.788 1.00 0.00 O ATOM 600 CB GLU A 571 9.909 -5.221 8.560 1.00 0.00 C ATOM 601 CG GLU A 571 10.602 -6.441 7.977 1.00 0.00 C ATOM 602 CD GLU A 571 11.507 -7.132 8.980 1.00 0.00 C ATOM 603 OE1 GLU A 571 12.373 -6.449 9.566 1.00 0.00 O ATOM 604 OE2 GLU A 571 11.350 -8.354 9.178 1.00 0.00 O ATOM 0 H GLU A 571 11.580 -3.610 7.682 1.00 0.00 H new ATOM 0 HA GLU A 571 9.122 -4.642 6.644 1.00 0.00 H new ATOM 0 HB2 GLU A 571 10.552 -4.777 9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 571 8.995 -5.538 9.062 1.00 0.00 H new ATOM 0 HG2 GLU A 571 9.851 -7.147 7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 571 11.190 -6.141 7.109 1.00 0.00 H new ATOM 611 N ASN A 572 9.020 -2.259 8.927 1.00 0.00 N ATOM 612 CA ASN A 572 8.152 -1.265 9.547 1.00 0.00 C ATOM 613 C ASN A 572 7.403 -0.460 8.488 1.00 0.00 C ATOM 614 O ASN A 572 6.236 -0.116 8.666 1.00 0.00 O ATOM 615 CB ASN A 572 8.970 -0.325 10.435 1.00 0.00 C ATOM 616 CG ASN A 572 10.089 -1.045 11.161 1.00 0.00 C ATOM 617 OD1 ASN A 572 9.924 -2.179 11.612 1.00 0.00 O ATOM 618 ND2 ASN A 572 11.237 -0.389 11.278 1.00 0.00 N ATOM 0 H ASN A 572 10.003 -2.182 9.189 1.00 0.00 H new ATOM 0 HA ASN A 572 7.422 -1.790 10.162 1.00 0.00 H new ATOM 0 HB2 ASN A 572 9.391 0.473 9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 572 8.311 0.146 11.164 1.00 0.00 H new ATOM 0 HD21 ASN A 572 12.026 -0.823 11.757 1.00 0.00 H new ATOM 0 HD22 ASN A 572 11.330 0.549 10.889 1.00 0.00 H new ATOM 625 N ALA A 573 8.086 -0.164 7.387 1.00 0.00 N ATOM 626 CA ALA A 573 7.486 0.599 6.299 1.00 0.00 C ATOM 627 C ALA A 573 6.075 0.106 5.996 1.00 0.00 C ATOM 628 O ALA A 573 5.165 0.903 5.768 1.00 0.00 O ATOM 629 CB ALA A 573 8.356 0.513 5.053 1.00 0.00 C ATOM 0 H ALA A 573 9.054 -0.441 7.225 1.00 0.00 H new ATOM 0 HA ALA A 573 7.419 1.641 6.612 1.00 0.00 H new ATOM 0 HB1 ALA A 573 7.897 1.087 4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.344 0.919 5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.451 -0.529 4.747 1.00 0.00 H new ATOM 635 N VAL A 574 5.901 -1.211 5.995 1.00 0.00 N ATOM 636 CA VAL A 574 4.600 -1.811 5.721 1.00 0.00 C ATOM 637 C VAL A 574 3.766 -1.919 6.992 1.00 0.00 C ATOM 638 O VAL A 574 4.239 -2.409 8.018 1.00 0.00 O ATOM 639 CB VAL A 574 4.747 -3.210 5.096 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.399 -3.724 4.612 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.755 -3.181 3.956 1.00 0.00 C ATOM 0 H VAL A 574 6.645 -1.884 6.181 1.00 0.00 H new ATOM 0 HA VAL A 574 4.093 -1.156 5.012 1.00 0.00 H new ATOM 0 HB VAL A 574 5.116 -3.893 5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.523 -4.714 4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 574 2.709 -3.784 5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 574 2.998 -3.043 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 574 5.846 -4.178 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.417 -2.484 3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.725 -2.859 4.336 1.00 0.00 H new ATOM 651 N HIS A 575 2.521 -1.459 6.918 1.00 0.00 N ATOM 652 CA HIS A 575 1.619 -1.504 8.063 1.00 0.00 C ATOM 653 C HIS A 575 0.380 -2.337 7.746 1.00 0.00 C ATOM 654 O HIS A 575 -0.516 -1.888 7.032 1.00 0.00 O ATOM 655 CB HIS A 575 1.207 -0.091 8.471 1.00 0.00 C ATOM 656 CG HIS A 575 2.309 0.694 9.114 1.00 0.00 C ATOM 657 ND1 HIS A 575 3.631 0.759 8.829 1.00 0.00 N flip ATOM 658 CD2 HIS A 575 2.108 1.535 10.188 1.00 0.00 C flip ATOM 659 CE1 HIS A 575 4.198 1.631 9.726 1.00 0.00 C flip ATOM 660 NE2 HIS A 575 3.258 2.085 10.535 1.00 0.00 N flip ATOM 0 H HIS A 575 2.114 -1.051 6.077 1.00 0.00 H new ATOM 0 HA HIS A 575 2.148 -1.973 8.893 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.857 0.445 7.589 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.366 -0.152 9.161 1.00 0.00 H new ATOM 0 HD2 HIS A 575 1.159 1.716 10.670 1.00 0.00 H new ATOM 0 HE1 HIS A 575 5.243 1.901 9.764 1.00 0.00 H new ATOM 0 HE2 HIS A 575 3.396 2.748 11.298 1.00 0.00 H new ATOM 668 N VAL A 576 0.338 -3.553 8.282 1.00 0.00 N ATOM 669 CA VAL A 576 -0.791 -4.448 8.057 1.00 0.00 C ATOM 670 C VAL A 576 -1.984 -4.058 8.923 1.00 0.00 C ATOM 671 O VAL A 576 -1.847 -3.844 10.128 1.00 0.00 O ATOM 672 CB VAL A 576 -0.414 -5.912 8.352 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.609 -6.826 8.132 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.763 -6.343 7.489 1.00 0.00 C ATOM 0 H VAL A 576 1.072 -3.941 8.875 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.063 -4.355 7.006 1.00 0.00 H new ATOM 0 HB VAL A 576 -0.116 -5.989 9.398 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.323 -7.856 8.345 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.421 -6.530 8.796 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -1.941 -6.748 7.097 1.00 0.00 H new ATOM 0 HG21 VAL A 576 1.016 -7.380 7.710 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.495 -6.252 6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.622 -5.707 7.701 1.00 0.00 H new ATOM 684 N LEU A 577 -3.155 -3.967 8.300 1.00 0.00 N ATOM 685 CA LEU A 577 -4.373 -3.602 9.014 1.00 0.00 C ATOM 686 C LEU A 577 -4.837 -4.741 9.917 1.00 0.00 C ATOM 687 O LEU A 577 -4.241 -5.819 9.931 1.00 0.00 O ATOM 688 CB LEU A 577 -5.480 -3.241 8.022 1.00 0.00 C ATOM 689 CG LEU A 577 -5.381 -1.856 7.381 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.463 -1.677 6.328 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.481 -0.769 8.442 1.00 0.00 C ATOM 0 H LEU A 577 -3.286 -4.141 7.303 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.153 -2.735 9.637 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.486 -3.987 7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.439 -3.314 8.536 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.410 -1.771 6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.377 -0.686 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.345 -2.434 5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.444 -1.782 6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.409 0.210 7.968 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.437 -0.852 8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.669 -0.885 9.160 1.00 0.00 H new ATOM 703 N VAL A 578 -5.904 -4.496 10.669 1.00 0.00 N ATOM 704 CA VAL A 578 -6.451 -5.501 11.573 1.00 0.00 C ATOM 705 C VAL A 578 -7.962 -5.357 11.708 1.00 0.00 C ATOM 706 O VAL A 578 -8.518 -4.286 11.460 1.00 0.00 O ATOM 707 CB VAL A 578 -5.810 -5.406 12.972 1.00 0.00 C ATOM 708 CG1 VAL A 578 -4.310 -5.644 12.889 1.00 0.00 C ATOM 709 CG2 VAL A 578 -6.111 -4.056 13.604 1.00 0.00 C ATOM 0 H VAL A 578 -6.408 -3.609 10.671 1.00 0.00 H new ATOM 0 HA VAL A 578 -6.220 -6.474 11.140 1.00 0.00 H new ATOM 0 HB VAL A 578 -6.241 -6.182 13.605 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -3.875 -5.573 13.886 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -4.121 -6.637 12.480 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -3.858 -4.893 12.241 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -5.651 -4.006 14.591 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -5.708 -3.262 12.975 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -7.190 -3.931 13.699 1.00 0.00 H new ATOM 719 N ASP A 579 -8.622 -6.439 12.103 1.00 0.00 N ATOM 720 CA ASP A 579 -10.070 -6.434 12.272 1.00 0.00 C ATOM 721 C ASP A 579 -10.448 -6.693 13.728 1.00 0.00 C ATOM 722 O ASP A 579 -9.583 -6.915 14.573 1.00 0.00 O ATOM 723 CB ASP A 579 -10.715 -7.488 11.370 1.00 0.00 C ATOM 724 CG ASP A 579 -12.185 -7.213 11.119 1.00 0.00 C ATOM 725 OD1 ASP A 579 -12.618 -6.062 11.334 1.00 0.00 O ATOM 726 OD2 ASP A 579 -12.902 -8.150 10.709 1.00 0.00 O ATOM 0 H ASP A 579 -8.177 -7.332 12.313 1.00 0.00 H new ATOM 0 HA ASP A 579 -10.440 -5.449 11.988 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -10.186 -7.520 10.417 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -10.605 -8.471 11.828 1.00 0.00 H new ATOM 731 N ASN A 580 -11.746 -6.661 14.011 1.00 0.00 N ATOM 732 CA ASN A 580 -12.239 -6.890 15.365 1.00 0.00 C ATOM 733 C ASN A 580 -11.625 -8.153 15.960 1.00 0.00 C ATOM 734 O ASN A 580 -11.201 -8.165 17.114 1.00 0.00 O ATOM 735 CB ASN A 580 -13.764 -7.003 15.362 1.00 0.00 C ATOM 736 CG ASN A 580 -14.440 -5.700 14.983 1.00 0.00 C ATOM 737 OD1 ASN A 580 -14.542 -5.360 13.805 1.00 0.00 O ATOM 738 ND2 ASN A 580 -14.905 -4.963 15.985 1.00 0.00 N ATOM 0 H ASN A 580 -12.475 -6.479 13.322 1.00 0.00 H new ATOM 0 HA ASN A 580 -11.946 -6.040 15.981 1.00 0.00 H new ATOM 0 HB2 ASN A 580 -14.066 -7.783 14.663 1.00 0.00 H new ATOM 0 HB3 ASN A 580 -14.105 -7.312 16.350 1.00 0.00 H new ATOM 0 HD21 ASN A 580 -15.369 -4.075 15.793 1.00 0.00 H new ATOM 0 HD22 ASN A 580 -14.798 -5.285 16.947 1.00 0.00 H new ATOM 745 N ASN A 581 -11.580 -9.216 15.163 1.00 0.00 N ATOM 746 CA ASN A 581 -11.018 -10.485 15.610 1.00 0.00 C ATOM 747 C ASN A 581 -9.522 -10.550 15.318 1.00 0.00 C ATOM 748 O ASN A 581 -8.949 -11.633 15.201 1.00 0.00 O ATOM 749 CB ASN A 581 -11.735 -11.653 14.928 1.00 0.00 C ATOM 750 CG ASN A 581 -12.947 -12.123 15.709 1.00 0.00 C ATOM 751 OD1 ASN A 581 -13.303 -11.541 16.733 1.00 0.00 O ATOM 752 ND2 ASN A 581 -13.586 -13.182 15.227 1.00 0.00 N ATOM 0 H ASN A 581 -11.926 -9.223 14.204 1.00 0.00 H new ATOM 0 HA ASN A 581 -11.163 -10.559 16.688 1.00 0.00 H new ATOM 0 HB2 ASN A 581 -12.046 -11.351 13.928 1.00 0.00 H new ATOM 0 HB3 ASN A 581 -11.039 -12.483 14.809 1.00 0.00 H new ATOM 0 HD21 ASN A 581 -14.408 -13.545 15.709 1.00 0.00 H new ATOM 0 HD22 ASN A 581 -13.255 -13.633 14.374 1.00 0.00 H new ATOM 759 N GLY A 582 -8.896 -9.384 15.202 1.00 0.00 N ATOM 760 CA GLY A 582 -7.472 -9.331 14.926 1.00 0.00 C ATOM 761 C GLY A 582 -7.041 -10.365 13.905 1.00 0.00 C ATOM 762 O GLY A 582 -6.073 -11.093 14.121 1.00 0.00 O ATOM 0 H GLY A 582 -9.349 -8.475 15.294 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -7.212 -8.336 14.563 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -6.919 -9.487 15.852 1.00 0.00 H new ATOM 766 N GLN A 583 -7.763 -10.431 12.791 1.00 0.00 N ATOM 767 CA GLN A 583 -7.450 -11.387 11.734 1.00 0.00 C ATOM 768 C GLN A 583 -7.154 -10.669 10.421 1.00 0.00 C ATOM 769 O GLN A 583 -7.394 -11.208 9.341 1.00 0.00 O ATOM 770 CB GLN A 583 -8.610 -12.367 11.544 1.00 0.00 C ATOM 771 CG GLN A 583 -9.959 -11.687 11.376 1.00 0.00 C ATOM 772 CD GLN A 583 -10.966 -12.559 10.653 1.00 0.00 C ATOM 773 OE1 GLN A 583 -10.705 -13.731 10.377 1.00 0.00 O ATOM 774 NE2 GLN A 583 -12.125 -11.992 10.340 1.00 0.00 N ATOM 0 H GLN A 583 -8.568 -9.835 12.597 1.00 0.00 H new ATOM 0 HA GLN A 583 -6.560 -11.942 12.032 1.00 0.00 H new ATOM 0 HB2 GLN A 583 -8.413 -12.985 10.668 1.00 0.00 H new ATOM 0 HB3 GLN A 583 -8.654 -13.036 12.403 1.00 0.00 H new ATOM 0 HG2 GLN A 583 -10.352 -11.421 12.357 1.00 0.00 H new ATOM 0 HG3 GLN A 583 -9.826 -10.757 10.823 1.00 0.00 H new ATOM 0 HE21 GLN A 583 -12.300 -11.018 10.588 1.00 0.00 H new ATOM 0 HE22 GLN A 583 -12.841 -12.530 9.852 1.00 0.00 H new ATOM 783 N GLY A 584 -6.634 -9.450 10.523 1.00 0.00 N ATOM 784 CA GLY A 584 -6.314 -8.679 9.337 1.00 0.00 C ATOM 785 C GLY A 584 -7.545 -8.330 8.523 1.00 0.00 C ATOM 786 O GLY A 584 -8.579 -8.990 8.633 1.00 0.00 O ATOM 0 H GLY A 584 -6.429 -8.983 11.406 1.00 0.00 H new ATOM 0 HA2 GLY A 584 -5.804 -7.761 9.630 1.00 0.00 H new ATOM 0 HA3 GLY A 584 -5.620 -9.245 8.716 1.00 0.00 H new ATOM 790 N LEU A 585 -7.436 -7.289 7.705 1.00 0.00 N ATOM 791 CA LEU A 585 -8.550 -6.851 6.870 1.00 0.00 C ATOM 792 C LEU A 585 -8.163 -6.862 5.396 1.00 0.00 C ATOM 793 O LEU A 585 -8.530 -5.963 4.641 1.00 0.00 O ATOM 794 CB LEU A 585 -9.000 -5.448 7.282 1.00 0.00 C ATOM 795 CG LEU A 585 -9.812 -5.355 8.574 1.00 0.00 C ATOM 796 CD1 LEU A 585 -9.845 -3.921 9.081 1.00 0.00 C ATOM 797 CD2 LEU A 585 -11.224 -5.878 8.355 1.00 0.00 C ATOM 0 H LEU A 585 -6.588 -6.732 7.602 1.00 0.00 H new ATOM 0 HA LEU A 585 -9.376 -7.548 7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 585 -8.115 -4.821 7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 585 -9.595 -5.027 6.472 1.00 0.00 H new ATOM 0 HG LEU A 585 -9.330 -5.975 9.330 1.00 0.00 H new ATOM 0 HD11 LEU A 585 -10.427 -3.874 10.001 1.00 0.00 H new ATOM 0 HD12 LEU A 585 -8.828 -3.581 9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 585 -10.303 -3.279 8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 585 -11.788 -5.804 9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 585 -11.716 -5.285 7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 585 -11.181 -6.920 8.039 1.00 0.00 H new ATOM 809 N GLY A 586 -7.419 -7.888 4.992 1.00 0.00 N ATOM 810 CA GLY A 586 -6.997 -7.999 3.608 1.00 0.00 C ATOM 811 C GLY A 586 -6.551 -6.669 3.030 1.00 0.00 C ATOM 812 O GLY A 586 -6.878 -6.340 1.890 1.00 0.00 O ATOM 0 H GLY A 586 -7.101 -8.644 5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 586 -6.179 -8.715 3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.819 -8.394 3.011 1.00 0.00 H new ATOM 816 N GLN A 587 -5.804 -5.903 3.819 1.00 0.00 N ATOM 817 CA GLN A 587 -5.315 -4.602 3.380 1.00 0.00 C ATOM 818 C GLN A 587 -4.047 -4.213 4.132 1.00 0.00 C ATOM 819 O GLN A 587 -3.866 -4.581 5.293 1.00 0.00 O ATOM 820 CB GLN A 587 -6.392 -3.535 3.584 1.00 0.00 C ATOM 821 CG GLN A 587 -7.524 -3.611 2.572 1.00 0.00 C ATOM 822 CD GLN A 587 -8.309 -2.317 2.477 1.00 0.00 C ATOM 823 OE1 GLN A 587 -8.031 -1.355 3.192 1.00 0.00 O ATOM 824 NE2 GLN A 587 -9.299 -2.289 1.592 1.00 0.00 N ATOM 0 H GLN A 587 -5.525 -6.161 4.765 1.00 0.00 H new ATOM 0 HA GLN A 587 -5.077 -4.671 2.318 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.806 -3.636 4.587 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -5.930 -2.549 3.527 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.114 -3.856 1.592 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -8.199 -4.422 2.847 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -9.495 -3.110 1.019 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -9.864 -1.446 1.485 1.00 0.00 H new ATOM 833 N ALA A 588 -3.173 -3.469 3.464 1.00 0.00 N ATOM 834 CA ALA A 588 -1.923 -3.029 4.071 1.00 0.00 C ATOM 835 C ALA A 588 -1.373 -1.796 3.362 1.00 0.00 C ATOM 836 O ALA A 588 -1.589 -1.607 2.165 1.00 0.00 O ATOM 837 CB ALA A 588 -0.900 -4.155 4.048 1.00 0.00 C ATOM 0 H ALA A 588 -3.307 -3.158 2.502 1.00 0.00 H new ATOM 0 HA ALA A 588 -2.126 -2.759 5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 588 0.029 -3.812 4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.285 -5.008 4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.709 -4.452 3.017 1.00 0.00 H new ATOM 843 N LEU A 589 -0.659 -0.960 4.108 1.00 0.00 N ATOM 844 CA LEU A 589 -0.077 0.256 3.550 1.00 0.00 C ATOM 845 C LEU A 589 1.442 0.150 3.479 1.00 0.00 C ATOM 846 O LEU A 589 2.063 -0.571 4.261 1.00 0.00 O ATOM 847 CB LEU A 589 -0.476 1.469 4.393 1.00 0.00 C ATOM 848 CG LEU A 589 -1.936 1.911 4.288 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.300 2.834 5.439 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.191 2.593 2.952 1.00 0.00 C ATOM 0 H LEU A 589 -0.469 -1.102 5.100 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.461 0.382 2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.259 1.247 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 589 0.158 2.309 4.108 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.569 1.025 4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.343 3.137 5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.157 2.311 6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.662 3.717 5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.235 2.901 2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.549 3.469 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -1.972 1.898 2.141 1.00 0.00 H new ATOM 862 N VAL A 590 2.038 0.874 2.538 1.00 0.00 N ATOM 863 CA VAL A 590 3.486 0.865 2.366 1.00 0.00 C ATOM 864 C VAL A 590 4.049 2.281 2.366 1.00 0.00 C ATOM 865 O VAL A 590 3.658 3.115 1.550 1.00 0.00 O ATOM 866 CB VAL A 590 3.891 0.163 1.056 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.405 0.066 0.948 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.253 -1.217 0.972 1.00 0.00 C ATOM 0 H VAL A 590 1.540 1.475 1.882 1.00 0.00 H new ATOM 0 HA VAL A 590 3.901 0.313 3.209 1.00 0.00 H new ATOM 0 HB VAL A 590 3.528 0.758 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.672 -0.433 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.836 1.067 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.794 -0.506 1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.550 -1.699 0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.584 -1.823 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.168 -1.118 1.000 1.00 0.00 H new ATOM 878 N GLN A 591 4.971 2.546 3.286 1.00 0.00 N ATOM 879 CA GLN A 591 5.588 3.861 3.392 1.00 0.00 C ATOM 880 C GLN A 591 6.995 3.853 2.803 1.00 0.00 C ATOM 881 O GLN A 591 7.901 3.216 3.341 1.00 0.00 O ATOM 882 CB GLN A 591 5.639 4.309 4.854 1.00 0.00 C ATOM 883 CG GLN A 591 6.108 5.744 5.037 1.00 0.00 C ATOM 884 CD GLN A 591 6.727 5.987 6.399 1.00 0.00 C ATOM 885 OE1 GLN A 591 7.484 5.159 6.906 1.00 0.00 O ATOM 886 NE2 GLN A 591 6.407 7.128 6.999 1.00 0.00 N ATOM 0 H GLN A 591 5.307 1.866 3.969 1.00 0.00 H new ATOM 0 HA GLN A 591 4.979 4.565 2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.647 4.201 5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 591 6.305 3.645 5.405 1.00 0.00 H new ATOM 0 HG2 GLN A 591 6.836 5.986 4.263 1.00 0.00 H new ATOM 0 HG3 GLN A 591 5.263 6.419 4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 591 5.775 7.785 6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 591 6.793 7.347 7.917 1.00 0.00 H new ATOM 895 N PHE A 592 7.171 4.562 1.693 1.00 0.00 N ATOM 896 CA PHE A 592 8.467 4.635 1.029 1.00 0.00 C ATOM 897 C PHE A 592 9.161 5.959 1.333 1.00 0.00 C ATOM 898 O PHE A 592 8.511 6.955 1.654 1.00 0.00 O ATOM 899 CB PHE A 592 8.300 4.471 -0.484 1.00 0.00 C ATOM 900 CG PHE A 592 7.795 3.114 -0.886 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.502 1.971 -0.550 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.616 2.983 -1.601 1.00 0.00 C ATOM 903 CE1 PHE A 592 8.041 0.720 -0.919 1.00 0.00 C ATOM 904 CE2 PHE A 592 6.149 1.736 -1.972 1.00 0.00 C ATOM 905 CZ PHE A 592 6.863 0.603 -1.632 1.00 0.00 C ATOM 0 H PHE A 592 6.432 5.094 1.234 1.00 0.00 H new ATOM 0 HA PHE A 592 9.087 3.823 1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 592 7.609 5.230 -0.850 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.259 4.652 -0.969 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.424 2.058 0.006 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.055 3.865 -1.872 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.601 -0.164 -0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 592 5.227 1.647 -2.527 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.501 -0.372 -1.923 1.00 0.00 H new ATOM 915 N LYS A 593 10.486 5.963 1.232 1.00 0.00 N ATOM 916 CA LYS A 593 11.271 7.164 1.495 1.00 0.00 C ATOM 917 C LYS A 593 10.980 8.243 0.457 1.00 0.00 C ATOM 918 O LYS A 593 10.447 9.303 0.782 1.00 0.00 O ATOM 919 CB LYS A 593 12.764 6.831 1.496 1.00 0.00 C ATOM 920 CG LYS A 593 13.148 5.760 2.502 1.00 0.00 C ATOM 921 CD LYS A 593 14.600 5.339 2.341 1.00 0.00 C ATOM 922 CE LYS A 593 15.080 4.526 3.534 1.00 0.00 C ATOM 923 NZ LYS A 593 15.180 5.356 4.766 1.00 0.00 N ATOM 0 H LYS A 593 11.039 5.147 0.970 1.00 0.00 H new ATOM 0 HA LYS A 593 10.989 7.545 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.055 6.502 0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.330 7.738 1.710 1.00 0.00 H new ATOM 0 HG2 LYS A 593 12.987 6.134 3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 593 12.500 4.892 2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 593 14.711 4.751 1.430 1.00 0.00 H new ATOM 0 HD3 LYS A 593 15.226 6.224 2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 593 14.394 3.698 3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 593 16.054 4.091 3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 15.768 4.865 5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 15.612 6.273 4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 14.229 5.511 5.158 1.00 0.00 H new ATOM 937 N ASN A 594 11.332 7.965 -0.794 1.00 0.00 N ATOM 938 CA ASN A 594 11.107 8.911 -1.880 1.00 0.00 C ATOM 939 C ASN A 594 10.389 8.240 -3.047 1.00 0.00 C ATOM 940 O ASN A 594 10.374 7.014 -3.157 1.00 0.00 O ATOM 941 CB ASN A 594 12.437 9.498 -2.356 1.00 0.00 C ATOM 942 CG ASN A 594 13.470 8.428 -2.651 1.00 0.00 C ATOM 943 OD1 ASN A 594 13.130 7.317 -3.059 1.00 0.00 O ATOM 944 ND2 ASN A 594 14.740 8.757 -2.444 1.00 0.00 N ATOM 0 H ASN A 594 11.774 7.092 -1.081 1.00 0.00 H new ATOM 0 HA ASN A 594 10.476 9.715 -1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 594 12.268 10.093 -3.254 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.826 10.174 -1.594 1.00 0.00 H new ATOM 0 HD21 ASN A 594 15.479 8.077 -2.624 1.00 0.00 H new ATOM 0 HD22 ASN A 594 14.977 9.690 -2.105 1.00 0.00 H new ATOM 951 N GLU A 595 9.795 9.052 -3.916 1.00 0.00 N ATOM 952 CA GLU A 595 9.074 8.537 -5.074 1.00 0.00 C ATOM 953 C GLU A 595 9.924 7.523 -5.836 1.00 0.00 C ATOM 954 O GLU A 595 9.409 6.537 -6.362 1.00 0.00 O ATOM 955 CB GLU A 595 8.673 9.683 -6.005 1.00 0.00 C ATOM 956 CG GLU A 595 7.787 10.723 -5.341 1.00 0.00 C ATOM 957 CD GLU A 595 7.385 11.838 -6.288 1.00 0.00 C ATOM 958 OE1 GLU A 595 6.945 11.528 -7.415 1.00 0.00 O ATOM 959 OE2 GLU A 595 7.512 13.019 -5.903 1.00 0.00 O ATOM 0 H GLU A 595 9.799 10.069 -3.840 1.00 0.00 H new ATOM 0 HA GLU A 595 8.174 8.037 -4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.574 10.170 -6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.152 9.272 -6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 595 6.890 10.238 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 595 8.312 11.149 -4.486 1.00 0.00 H new ATOM 966 N ASP A 596 11.227 7.774 -5.890 1.00 0.00 N ATOM 967 CA ASP A 596 12.149 6.884 -6.586 1.00 0.00 C ATOM 968 C ASP A 596 11.817 5.423 -6.296 1.00 0.00 C ATOM 969 O ASP A 596 12.132 4.536 -7.089 1.00 0.00 O ATOM 970 CB ASP A 596 13.591 7.184 -6.173 1.00 0.00 C ATOM 971 CG ASP A 596 14.596 6.748 -7.222 1.00 0.00 C ATOM 972 OD1 ASP A 596 14.522 7.254 -8.360 1.00 0.00 O ATOM 973 OD2 ASP A 596 15.455 5.900 -6.902 1.00 0.00 O ATOM 0 H ASP A 596 11.669 8.587 -5.460 1.00 0.00 H new ATOM 0 HA ASP A 596 12.043 7.056 -7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 596 13.699 8.253 -5.993 1.00 0.00 H new ATOM 0 HB3 ASP A 596 13.809 6.678 -5.232 1.00 0.00 H new ATOM 978 N ASP A 597 11.182 5.182 -5.155 1.00 0.00 N ATOM 979 CA ASP A 597 10.807 3.829 -4.759 1.00 0.00 C ATOM 980 C ASP A 597 9.363 3.530 -5.146 1.00 0.00 C ATOM 981 O ASP A 597 9.067 2.480 -5.714 1.00 0.00 O ATOM 982 CB ASP A 597 10.994 3.645 -3.252 1.00 0.00 C ATOM 983 CG ASP A 597 12.449 3.723 -2.835 1.00 0.00 C ATOM 984 OD1 ASP A 597 12.934 4.844 -2.579 1.00 0.00 O ATOM 985 OD2 ASP A 597 13.103 2.661 -2.763 1.00 0.00 O ATOM 0 H ASP A 597 10.916 5.906 -4.487 1.00 0.00 H new ATOM 0 HA ASP A 597 11.457 3.130 -5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 597 10.426 4.410 -2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.585 2.680 -2.953 1.00 0.00 H new ATOM 990 N ALA A 598 8.467 4.460 -4.833 1.00 0.00 N ATOM 991 CA ALA A 598 7.054 4.298 -5.149 1.00 0.00 C ATOM 992 C ALA A 598 6.849 4.049 -6.640 1.00 0.00 C ATOM 993 O ALA A 598 6.242 3.054 -7.036 1.00 0.00 O ATOM 994 CB ALA A 598 6.268 5.522 -4.704 1.00 0.00 C ATOM 0 H ALA A 598 8.695 5.334 -4.360 1.00 0.00 H new ATOM 0 HA ALA A 598 6.685 3.427 -4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.214 5.386 -4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.378 5.654 -3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 598 6.648 6.405 -5.218 1.00 0.00 H new ATOM 1000 N ARG A 599 7.359 4.960 -7.463 1.00 0.00 N ATOM 1001 CA ARG A 599 7.230 4.841 -8.909 1.00 0.00 C ATOM 1002 C ARG A 599 7.358 3.385 -9.348 1.00 0.00 C ATOM 1003 O ARG A 599 6.782 2.975 -10.356 1.00 0.00 O ATOM 1004 CB ARG A 599 8.291 5.691 -9.609 1.00 0.00 C ATOM 1005 CG ARG A 599 8.001 7.183 -9.570 1.00 0.00 C ATOM 1006 CD ARG A 599 8.632 7.905 -10.750 1.00 0.00 C ATOM 1007 NE ARG A 599 10.036 8.227 -10.507 1.00 0.00 N ATOM 1008 CZ ARG A 599 10.437 9.255 -9.769 1.00 0.00 C ATOM 1009 NH1 ARG A 599 9.546 10.059 -9.205 1.00 0.00 N ATOM 1010 NH2 ARG A 599 11.732 9.484 -9.594 1.00 0.00 N ATOM 0 H ARG A 599 7.866 5.789 -7.152 1.00 0.00 H new ATOM 0 HA ARG A 599 6.241 5.202 -9.191 1.00 0.00 H new ATOM 0 HB2 ARG A 599 9.259 5.505 -9.143 1.00 0.00 H new ATOM 0 HB3 ARG A 599 8.372 5.372 -10.648 1.00 0.00 H new ATOM 0 HG2 ARG A 599 6.923 7.345 -9.577 1.00 0.00 H new ATOM 0 HG3 ARG A 599 8.381 7.604 -8.639 1.00 0.00 H new ATOM 0 HD2 ARG A 599 8.552 7.282 -11.641 1.00 0.00 H new ATOM 0 HD3 ARG A 599 8.079 8.823 -10.951 1.00 0.00 H new ATOM 0 HE ARG A 599 10.747 7.629 -10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 599 8.549 9.888 -9.338 1.00 0.00 H new ATOM 0 HH12 ARG A 599 9.858 10.848 -8.639 1.00 0.00 H new ATOM 0 HH21 ARG A 599 12.422 8.870 -10.027 1.00 0.00 H new ATOM 0 HH22 ARG A 599 12.038 10.274 -9.027 1.00 0.00 H new ATOM 1024 N LYS A 600 8.118 2.607 -8.585 1.00 0.00 N ATOM 1025 CA LYS A 600 8.323 1.197 -8.893 1.00 0.00 C ATOM 1026 C LYS A 600 7.194 0.345 -8.320 1.00 0.00 C ATOM 1027 O LYS A 600 6.706 -0.576 -8.974 1.00 0.00 O ATOM 1028 CB LYS A 600 9.667 0.722 -8.336 1.00 0.00 C ATOM 1029 CG LYS A 600 10.865 1.422 -8.957 1.00 0.00 C ATOM 1030 CD LYS A 600 12.097 1.306 -8.075 1.00 0.00 C ATOM 1031 CE LYS A 600 13.375 1.477 -8.879 1.00 0.00 C ATOM 1032 NZ LYS A 600 14.543 0.839 -8.209 1.00 0.00 N ATOM 0 H LYS A 600 8.603 2.930 -7.748 1.00 0.00 H new ATOM 0 HA LYS A 600 8.326 1.085 -9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.681 0.883 -7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.759 -0.352 -8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 600 11.074 0.988 -9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.630 2.474 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 600 12.056 2.061 -7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 600 12.103 0.334 -7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 600 13.242 1.041 -9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 600 13.574 2.539 -9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 15.395 0.978 -8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 14.686 1.272 -7.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 14.364 -0.179 -8.095 1.00 0.00 H new ATOM 1046 N SER A 601 6.783 0.661 -7.096 1.00 0.00 N ATOM 1047 CA SER A 601 5.713 -0.076 -6.435 1.00 0.00 C ATOM 1048 C SER A 601 4.419 0.009 -7.237 1.00 0.00 C ATOM 1049 O SER A 601 3.661 -0.957 -7.317 1.00 0.00 O ATOM 1050 CB SER A 601 5.488 0.466 -5.022 1.00 0.00 C ATOM 1051 OG SER A 601 4.554 1.532 -5.028 1.00 0.00 O ATOM 0 H SER A 601 7.175 1.423 -6.542 1.00 0.00 H new ATOM 0 HA SER A 601 6.012 -1.122 -6.371 1.00 0.00 H new ATOM 0 HB2 SER A 601 5.128 -0.334 -4.375 1.00 0.00 H new ATOM 0 HB3 SER A 601 6.435 0.810 -4.606 1.00 0.00 H new ATOM 0 HG SER A 601 4.869 2.240 -5.628 1.00 0.00 H new ATOM 1057 N GLU A 602 4.173 1.173 -7.830 1.00 0.00 N ATOM 1058 CA GLU A 602 2.969 1.385 -8.626 1.00 0.00 C ATOM 1059 C GLU A 602 3.018 0.571 -9.915 1.00 0.00 C ATOM 1060 O GLU A 602 2.026 0.468 -10.635 1.00 0.00 O ATOM 1061 CB GLU A 602 2.804 2.871 -8.954 1.00 0.00 C ATOM 1062 CG GLU A 602 3.819 3.390 -9.957 1.00 0.00 C ATOM 1063 CD GLU A 602 3.318 4.600 -10.722 1.00 0.00 C ATOM 1064 OE1 GLU A 602 2.156 4.573 -11.179 1.00 0.00 O ATOM 1065 OE2 GLU A 602 4.088 5.572 -10.864 1.00 0.00 O ATOM 0 H GLU A 602 4.790 1.983 -7.775 1.00 0.00 H new ATOM 0 HA GLU A 602 2.113 1.052 -8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 602 1.801 3.039 -9.346 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.887 3.449 -8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 602 4.740 3.651 -9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 602 4.066 2.596 -10.662 1.00 0.00 H new ATOM 1072 N ARG A 603 4.181 -0.006 -10.199 1.00 0.00 N ATOM 1073 CA ARG A 603 4.362 -0.810 -11.402 1.00 0.00 C ATOM 1074 C ARG A 603 3.823 -2.222 -11.198 1.00 0.00 C ATOM 1075 O ARG A 603 3.695 -2.994 -12.150 1.00 0.00 O ATOM 1076 CB ARG A 603 5.842 -0.868 -11.785 1.00 0.00 C ATOM 1077 CG ARG A 603 6.086 -1.353 -13.205 1.00 0.00 C ATOM 1078 CD ARG A 603 5.737 -0.282 -14.227 1.00 0.00 C ATOM 1079 NE ARG A 603 6.822 0.679 -14.403 1.00 0.00 N ATOM 1080 CZ ARG A 603 7.938 0.413 -15.074 1.00 0.00 C ATOM 1081 NH1 ARG A 603 8.113 -0.778 -15.628 1.00 0.00 N ATOM 1082 NH2 ARG A 603 8.880 1.340 -15.192 1.00 0.00 N ATOM 0 H ARG A 603 5.012 0.068 -9.612 1.00 0.00 H new ATOM 0 HA ARG A 603 3.803 -0.339 -12.211 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.277 0.125 -11.669 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.363 -1.527 -11.091 1.00 0.00 H new ATOM 0 HG2 ARG A 603 7.132 -1.639 -13.318 1.00 0.00 H new ATOM 0 HG3 ARG A 603 5.489 -2.246 -13.393 1.00 0.00 H new ATOM 0 HD2 ARG A 603 5.511 -0.753 -15.184 1.00 0.00 H new ATOM 0 HD3 ARG A 603 4.836 0.243 -13.909 1.00 0.00 H new ATOM 0 HE ARG A 603 6.718 1.605 -13.988 1.00 0.00 H new ATOM 0 HH11 ARG A 603 7.390 -1.493 -15.540 1.00 0.00 H new ATOM 0 HH12 ARG A 603 8.970 -0.980 -16.143 1.00 0.00 H new ATOM 0 HH21 ARG A 603 8.748 2.258 -14.767 1.00 0.00 H new ATOM 0 HH22 ARG A 603 9.736 1.135 -15.707 1.00 0.00 H new ATOM 1096 N LEU A 604 3.509 -2.555 -9.951 1.00 0.00 N ATOM 1097 CA LEU A 604 2.984 -3.876 -9.621 1.00 0.00 C ATOM 1098 C LEU A 604 1.464 -3.841 -9.490 1.00 0.00 C ATOM 1099 O LEU A 604 0.845 -4.814 -9.059 1.00 0.00 O ATOM 1100 CB LEU A 604 3.607 -4.384 -8.319 1.00 0.00 C ATOM 1101 CG LEU A 604 5.083 -4.777 -8.391 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.618 -5.096 -7.004 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.274 -5.965 -9.324 1.00 0.00 C ATOM 0 H LEU A 604 3.609 -1.929 -9.152 1.00 0.00 H new ATOM 0 HA LEU A 604 3.245 -4.556 -10.432 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.494 -3.610 -7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.037 -5.249 -7.980 1.00 0.00 H new ATOM 0 HG LEU A 604 5.645 -3.933 -8.790 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.670 -5.374 -7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.516 -4.219 -6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 604 5.052 -5.924 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.330 -6.231 -9.363 1.00 0.00 H new ATOM 0 HD22 LEU A 604 4.700 -6.814 -8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 604 4.929 -5.702 -10.324 1.00 0.00 H new ATOM 1115 N HIS A 605 0.869 -2.714 -9.868 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.579 -2.552 -9.795 1.00 0.00 C ATOM 1117 C HIS A 605 -1.288 -3.653 -10.577 1.00 0.00 C ATOM 1118 O HIS A 605 -0.873 -4.011 -11.680 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.988 -1.182 -10.336 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.467 -0.943 -10.304 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -3.252 -1.229 -9.208 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -3.302 -0.441 -11.243 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.506 -0.914 -9.474 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.564 -0.432 -10.703 1.00 0.00 N ATOM 0 H HIS A 605 1.367 -1.900 -10.228 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.876 -2.624 -8.749 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.490 -0.407 -9.753 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.635 -1.085 -11.363 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -3.027 -0.109 -12.233 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.343 -1.030 -8.801 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.408 -0.106 -11.173 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.359 -4.189 -9.998 1.00 0.00 N ATOM 1133 CA ARG A 606 -3.124 -5.250 -10.640 1.00 0.00 C ATOM 1134 C ARG A 606 -2.267 -6.499 -10.829 1.00 0.00 C ATOM 1135 O ARG A 606 -2.156 -7.028 -11.936 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.658 -4.777 -11.993 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.436 -3.473 -11.918 1.00 0.00 C ATOM 1138 CD ARG A 606 -4.624 -2.857 -13.296 1.00 0.00 C ATOM 1139 NE ARG A 606 -3.479 -2.043 -13.692 1.00 0.00 N ATOM 1140 CZ ARG A 606 -3.435 -1.333 -14.814 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -4.468 -1.335 -15.645 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -2.356 -0.616 -15.106 1.00 0.00 N ATOM 0 H ARG A 606 -2.715 -3.905 -9.086 1.00 0.00 H new ATOM 0 HA ARG A 606 -3.965 -5.500 -9.993 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.822 -4.652 -12.681 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -4.302 -5.551 -12.411 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.410 -3.655 -11.463 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -3.909 -2.770 -11.273 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -4.777 -3.649 -14.029 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -5.524 -2.242 -13.299 1.00 0.00 H new ATOM 0 HE ARG A 606 -2.668 -2.018 -13.073 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -5.300 -1.883 -15.424 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -4.431 -0.789 -16.506 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -1.560 -0.610 -14.469 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -2.323 -0.071 -15.968 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.665 -6.967 -9.741 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.819 -8.154 -9.785 1.00 0.00 C ATOM 1158 C LYS A 607 -1.525 -9.348 -9.150 1.00 0.00 C ATOM 1159 O LYS A 607 -2.424 -9.184 -8.326 1.00 0.00 O ATOM 1160 CB LYS A 607 0.505 -7.889 -9.064 1.00 0.00 C ATOM 1161 CG LYS A 607 1.589 -7.332 -9.971 1.00 0.00 C ATOM 1162 CD LYS A 607 2.245 -8.428 -10.794 1.00 0.00 C ATOM 1163 CE LYS A 607 3.494 -7.923 -11.499 1.00 0.00 C ATOM 1164 NZ LYS A 607 3.899 -8.816 -12.620 1.00 0.00 N ATOM 0 H LYS A 607 -1.747 -6.542 -8.817 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.616 -8.387 -10.830 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.331 -7.189 -8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.858 -8.818 -8.617 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.159 -6.584 -10.637 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.344 -6.826 -9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 607 2.505 -9.265 -10.146 1.00 0.00 H new ATOM 0 HD3 LYS A 607 1.536 -8.804 -11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 607 3.313 -6.919 -11.882 1.00 0.00 H new ATOM 0 HE3 LYS A 607 4.311 -7.848 -10.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 4.754 -8.437 -13.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 4.096 -9.768 -12.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 3.130 -8.867 -13.318 1.00 0.00 H new ATOM 1178 N LYS A 608 -1.110 -10.549 -9.538 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.699 -11.771 -9.005 1.00 0.00 C ATOM 1180 C LYS A 608 -0.911 -12.276 -7.800 1.00 0.00 C ATOM 1181 O LYS A 608 0.051 -13.031 -7.947 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.746 -12.853 -10.086 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.531 -12.445 -11.321 1.00 0.00 C ATOM 1184 CD LYS A 608 -2.514 -13.537 -12.379 1.00 0.00 C ATOM 1185 CE LYS A 608 -3.551 -14.610 -12.088 1.00 0.00 C ATOM 1186 NZ LYS A 608 -4.868 -14.290 -12.706 1.00 0.00 N ATOM 0 H LYS A 608 -0.367 -10.702 -10.220 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.715 -11.543 -8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.727 -13.105 -10.380 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -2.189 -13.756 -9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.561 -12.224 -11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -2.109 -11.529 -11.735 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -2.707 -13.099 -13.358 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -1.523 -13.989 -12.421 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -3.197 -15.569 -12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -3.672 -14.716 -11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -5.548 -15.045 -12.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -5.219 -13.387 -12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -4.758 -14.214 -13.737 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.325 -11.856 -6.611 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.658 -12.266 -5.379 1.00 0.00 C ATOM 1202 C LEU A 609 -1.381 -13.445 -4.735 1.00 0.00 C ATOM 1203 O LEU A 609 -2.482 -13.297 -4.207 1.00 0.00 O ATOM 1204 CB LEU A 609 -0.591 -11.096 -4.397 1.00 0.00 C ATOM 1205 CG LEU A 609 0.365 -11.264 -3.216 1.00 0.00 C ATOM 1206 CD1 LEU A 609 0.297 -10.054 -2.297 1.00 0.00 C ATOM 1207 CD2 LEU A 609 0.044 -12.538 -2.448 1.00 0.00 C ATOM 0 H LEU A 609 -2.120 -11.232 -6.472 1.00 0.00 H new ATOM 0 HA LEU A 609 0.355 -12.578 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.302 -10.201 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -1.593 -10.919 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 609 1.381 -11.343 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.984 -10.192 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.576 -9.159 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -0.718 -9.943 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 609 0.734 -12.642 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -0.978 -12.488 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 609 0.145 -13.398 -3.111 1.00 0.00 H new ATOM 1219 N ASN A 610 -0.752 -14.615 -4.783 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.335 -15.819 -4.202 1.00 0.00 C ATOM 1221 C ASN A 610 -2.636 -16.190 -4.910 1.00 0.00 C ATOM 1222 O ASN A 610 -3.537 -16.771 -4.307 1.00 0.00 O ATOM 1223 CB ASN A 610 -1.594 -15.617 -2.708 1.00 0.00 C ATOM 1224 CG ASN A 610 -2.137 -16.865 -2.040 1.00 0.00 C ATOM 1225 OD1 ASN A 610 -2.034 -17.967 -2.582 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -2.718 -16.699 -0.858 1.00 0.00 N ATOM 0 H ASN A 610 0.160 -14.755 -5.218 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.625 -16.635 -4.333 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -0.666 -15.321 -2.218 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.301 -14.799 -2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 610 -3.102 -17.503 -0.361 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -2.781 -15.768 -0.447 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.724 -15.849 -6.191 1.00 0.00 N ATOM 1234 CA GLY A 611 -3.917 -16.154 -6.959 1.00 0.00 C ATOM 1235 C GLY A 611 -5.010 -15.122 -6.765 1.00 0.00 C ATOM 1236 O GLY A 611 -6.162 -15.353 -7.133 1.00 0.00 O ATOM 0 H GLY A 611 -1.991 -15.367 -6.711 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.660 -16.212 -8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.292 -17.135 -6.668 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.650 -13.982 -6.185 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.610 -12.913 -5.941 1.00 0.00 C ATOM 1242 C ARG A 612 -5.134 -11.602 -6.558 1.00 0.00 C ATOM 1243 O ARG A 612 -3.997 -11.181 -6.343 1.00 0.00 O ATOM 1244 CB ARG A 612 -5.831 -12.730 -4.437 1.00 0.00 C ATOM 1245 CG ARG A 612 -6.782 -13.749 -3.833 1.00 0.00 C ATOM 1246 CD ARG A 612 -8.231 -13.418 -4.155 1.00 0.00 C ATOM 1247 NE ARG A 612 -9.164 -14.258 -3.409 1.00 0.00 N ATOM 1248 CZ ARG A 612 -10.485 -14.154 -3.506 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -11.026 -13.252 -4.312 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -11.267 -14.955 -2.794 1.00 0.00 N ATOM 0 H ARG A 612 -3.700 -13.775 -5.875 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.553 -13.193 -6.409 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -4.870 -12.795 -3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.221 -11.729 -4.255 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -6.542 -14.742 -4.212 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -6.646 -13.779 -2.752 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -8.423 -12.370 -3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -8.403 -13.546 -5.224 1.00 0.00 H new ATOM 0 HE ARG A 612 -8.781 -14.963 -2.779 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -10.428 -12.634 -4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -12.041 -13.175 -4.384 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -10.854 -15.650 -2.172 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -12.281 -14.875 -2.868 1.00 0.00 H new ATOM 1264 N GLU A 613 -6.009 -10.963 -7.328 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.675 -9.700 -7.978 1.00 0.00 C ATOM 1266 C GLU A 613 -5.624 -8.563 -6.962 1.00 0.00 C ATOM 1267 O GLU A 613 -6.653 -8.138 -6.438 1.00 0.00 O ATOM 1268 CB GLU A 613 -6.698 -9.378 -9.069 1.00 0.00 C ATOM 1269 CG GLU A 613 -6.698 -10.374 -10.217 1.00 0.00 C ATOM 1270 CD GLU A 613 -8.056 -10.501 -10.881 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -8.646 -9.458 -11.230 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -8.527 -11.644 -11.049 1.00 0.00 O ATOM 0 H GLU A 613 -6.954 -11.298 -7.517 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.689 -9.803 -8.432 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.693 -9.348 -8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.495 -8.382 -9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -5.962 -10.066 -10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -6.387 -11.350 -9.846 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.417 -8.075 -6.690 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.230 -6.986 -5.740 1.00 0.00 C ATOM 1281 C ALA A 614 -4.154 -5.641 -6.454 1.00 0.00 C ATOM 1282 O ALA A 614 -3.639 -5.547 -7.568 1.00 0.00 O ATOM 1283 CB ALA A 614 -2.976 -7.219 -4.910 1.00 0.00 C ATOM 0 H ALA A 614 -3.555 -8.417 -7.115 1.00 0.00 H new ATOM 0 HA ALA A 614 -5.093 -6.965 -5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -2.849 -6.398 -4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -3.071 -8.156 -4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.108 -7.270 -5.568 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.670 -4.602 -5.806 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.659 -3.261 -6.380 1.00 0.00 C ATOM 1291 C PHE A 615 -3.830 -2.309 -5.524 1.00 0.00 C ATOM 1292 O PHE A 615 -4.065 -2.169 -4.324 1.00 0.00 O ATOM 1293 CB PHE A 615 -6.088 -2.731 -6.513 1.00 0.00 C ATOM 1294 CG PHE A 615 -6.912 -3.475 -7.525 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -7.105 -4.842 -7.412 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -7.493 -2.806 -8.591 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -7.862 -5.529 -8.341 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -8.252 -3.488 -9.524 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.436 -4.851 -9.399 1.00 0.00 C ATOM 0 H PHE A 615 -5.101 -4.662 -4.883 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.205 -3.319 -7.369 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.580 -2.789 -5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -6.052 -1.677 -6.790 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -6.658 -5.377 -6.587 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -7.351 -1.740 -8.694 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -8.005 -6.595 -8.240 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -8.700 -2.955 -10.350 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.028 -5.386 -10.127 1.00 0.00 H new ATOM 1309 N VAL A 616 -2.856 -1.656 -6.151 1.00 0.00 N ATOM 1310 CA VAL A 616 -1.990 -0.717 -5.449 1.00 0.00 C ATOM 1311 C VAL A 616 -2.288 0.720 -5.864 1.00 0.00 C ATOM 1312 O VAL A 616 -2.194 1.071 -7.040 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.503 -1.018 -5.714 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.383 -0.069 -4.922 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.185 -2.466 -5.375 1.00 0.00 C ATOM 0 H VAL A 616 -2.647 -1.760 -7.144 1.00 0.00 H new ATOM 0 HA VAL A 616 -2.192 -0.835 -4.384 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.302 -0.864 -6.774 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.430 -0.297 -5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 616 0.172 0.958 -5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.183 -0.188 -3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.870 -2.662 -5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.401 -2.649 -4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -0.795 -3.126 -5.991 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.647 1.550 -4.888 1.00 0.00 N ATOM 1326 CA HIS A 617 -2.958 2.950 -5.152 1.00 0.00 C ATOM 1327 C HIS A 617 -1.870 3.862 -4.594 1.00 0.00 C ATOM 1328 O HIS A 617 -1.528 3.789 -3.413 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.310 3.318 -4.540 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.480 2.868 -5.359 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -6.104 1.651 -5.177 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -6.142 3.480 -6.369 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -7.096 1.535 -6.040 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -7.141 2.631 -6.775 1.00 0.00 N ATOM 0 H HIS A 617 -2.729 1.277 -3.909 1.00 0.00 H new ATOM 0 HA HIS A 617 -3.006 3.089 -6.232 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.382 2.877 -3.546 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.360 4.399 -4.413 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -5.924 4.455 -6.779 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.759 0.687 -6.130 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.809 2.816 -7.523 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.328 4.721 -5.451 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.277 5.647 -5.044 1.00 0.00 C ATOM 1344 C VAL A 618 -0.868 6.910 -4.426 1.00 0.00 C ATOM 1345 O VAL A 618 -1.390 7.773 -5.131 1.00 0.00 O ATOM 1346 CB VAL A 618 0.616 6.042 -6.236 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.654 7.068 -5.809 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.284 4.812 -6.832 1.00 0.00 C ATOM 0 H VAL A 618 -1.599 4.795 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 618 0.330 5.131 -4.300 1.00 0.00 H new ATOM 0 HB VAL A 618 -0.012 6.494 -7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.275 7.335 -6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 618 1.151 7.959 -5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.280 6.646 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 618 1.911 5.110 -7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.900 4.329 -6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.521 4.115 -7.178 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.781 7.011 -3.103 1.00 0.00 N ATOM 1359 CA VAL A 619 -1.305 8.168 -2.389 1.00 0.00 C ATOM 1360 C VAL A 619 -0.190 8.927 -1.679 1.00 0.00 C ATOM 1361 O VAL A 619 0.970 8.515 -1.704 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.369 7.755 -1.355 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.464 6.930 -2.015 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.728 6.985 -0.210 1.00 0.00 C ATOM 0 H VAL A 619 -0.352 6.305 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.766 8.817 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.823 8.658 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.207 6.647 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.942 7.519 -2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -3.029 6.031 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.494 6.701 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.246 6.088 -0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -0.984 7.613 0.279 1.00 0.00 H new ATOM 1374 N THR A 620 -0.548 10.039 -1.044 1.00 0.00 N ATOM 1375 CA THR A 620 0.421 10.857 -0.327 1.00 0.00 C ATOM 1376 C THR A 620 0.705 10.285 1.057 1.00 0.00 C ATOM 1377 O THR A 620 0.125 9.274 1.454 1.00 0.00 O ATOM 1378 CB THR A 620 -0.068 12.310 -0.180 1.00 0.00 C ATOM 1379 OG1 THR A 620 -1.424 12.325 0.278 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.034 13.051 -1.504 1.00 0.00 C ATOM 0 H THR A 620 -1.504 10.394 -1.012 1.00 0.00 H new ATOM 0 HA THR A 620 1.338 10.849 -0.916 1.00 0.00 H new ATOM 0 HB THR A 620 0.567 12.813 0.549 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.728 13.252 0.371 1.00 0.00 H new ATOM 0 HG21 THR A 620 -0.317 14.075 -1.376 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.072 13.062 -1.836 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.580 12.548 -2.251 1.00 0.00 H new ATOM 1388 N LEU A 621 1.601 10.938 1.788 1.00 0.00 N ATOM 1389 CA LEU A 621 1.963 10.496 3.131 1.00 0.00 C ATOM 1390 C LEU A 621 0.770 10.599 4.077 1.00 0.00 C ATOM 1391 O LEU A 621 0.336 9.601 4.653 1.00 0.00 O ATOM 1392 CB LEU A 621 3.127 11.328 3.668 1.00 0.00 C ATOM 1393 CG LEU A 621 3.845 10.767 4.896 1.00 0.00 C ATOM 1394 CD1 LEU A 621 2.865 10.573 6.044 1.00 0.00 C ATOM 1395 CD2 LEU A 621 4.537 9.455 4.557 1.00 0.00 C ATOM 0 H LEU A 621 2.091 11.776 1.474 1.00 0.00 H new ATOM 0 HA LEU A 621 2.269 9.452 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 621 3.858 11.450 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 621 2.754 12.322 3.913 1.00 0.00 H new ATOM 0 HG LEU A 621 4.604 11.484 5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 621 3.393 10.173 6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 621 2.415 11.531 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 621 2.084 9.876 5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 621 5.043 9.071 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 621 3.797 8.730 4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 621 5.268 9.623 3.766 1.00 0.00 H new ATOM 1407 N GLU A 622 0.246 11.810 4.231 1.00 0.00 N ATOM 1408 CA GLU A 622 -0.897 12.041 5.106 1.00 0.00 C ATOM 1409 C GLU A 622 -2.053 11.111 4.749 1.00 0.00 C ATOM 1410 O GLU A 622 -2.718 10.565 5.629 1.00 0.00 O ATOM 1411 CB GLU A 622 -1.353 13.499 5.012 1.00 0.00 C ATOM 1412 CG GLU A 622 -0.490 14.460 5.812 1.00 0.00 C ATOM 1413 CD GLU A 622 0.705 14.964 5.025 1.00 0.00 C ATOM 1414 OE1 GLU A 622 1.635 14.166 4.781 1.00 0.00 O ATOM 1415 OE2 GLU A 622 0.710 16.156 4.653 1.00 0.00 O ATOM 0 H GLU A 622 0.594 12.646 3.762 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.587 11.830 6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -1.349 13.805 3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -2.383 13.572 5.362 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -1.096 15.309 6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -0.141 13.962 6.717 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.285 10.937 3.453 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.360 10.073 2.979 1.00 0.00 C ATOM 1424 C ASP A 623 -3.188 8.652 3.505 1.00 0.00 C ATOM 1425 O ASP A 623 -4.158 7.909 3.645 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.398 10.063 1.449 1.00 0.00 C ATOM 1427 CG ASP A 623 -4.696 9.499 0.906 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -5.695 10.246 0.863 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -4.712 8.310 0.523 1.00 0.00 O ATOM 0 H ASP A 623 -1.744 11.382 2.712 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.303 10.468 3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -3.264 11.079 1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -2.563 9.473 1.072 1.00 0.00 H new ATOM 1434 N MET A 624 -1.945 8.280 3.794 1.00 0.00 N ATOM 1435 CA MET A 624 -1.645 6.948 4.305 1.00 0.00 C ATOM 1436 C MET A 624 -1.934 6.861 5.800 1.00 0.00 C ATOM 1437 O MET A 624 -2.388 5.831 6.296 1.00 0.00 O ATOM 1438 CB MET A 624 -0.182 6.592 4.035 1.00 0.00 C ATOM 1439 CG MET A 624 0.266 5.308 4.714 1.00 0.00 C ATOM 1440 SD MET A 624 0.623 5.537 6.467 1.00 0.00 S ATOM 1441 CE MET A 624 2.374 5.160 6.508 1.00 0.00 C ATOM 0 H MET A 624 -1.130 8.883 3.683 1.00 0.00 H new ATOM 0 HA MET A 624 -2.286 6.235 3.787 1.00 0.00 H new ATOM 0 HB2 MET A 624 -0.032 6.496 2.960 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.451 7.412 4.373 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.511 4.552 4.601 1.00 0.00 H new ATOM 0 HG3 MET A 624 1.156 4.928 4.213 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.770 5.377 7.500 1.00 0.00 H new ATOM 0 HE2 MET A 624 2.524 4.105 6.280 1.00 0.00 H new ATOM 0 HE3 MET A 624 2.895 5.768 5.769 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.666 7.950 6.514 1.00 0.00 N ATOM 1452 CA ARG A 625 -1.896 7.996 7.953 1.00 0.00 C ATOM 1453 C ARG A 625 -3.389 8.049 8.263 1.00 0.00 C ATOM 1454 O ARG A 625 -3.849 7.468 9.246 1.00 0.00 O ATOM 1455 CB ARG A 625 -1.193 9.209 8.564 1.00 0.00 C ATOM 1456 CG ARG A 625 -0.777 9.006 10.012 1.00 0.00 C ATOM 1457 CD ARG A 625 0.128 10.129 10.495 1.00 0.00 C ATOM 1458 NE ARG A 625 -0.635 11.288 10.952 1.00 0.00 N ATOM 1459 CZ ARG A 625 -0.113 12.501 11.100 1.00 0.00 C ATOM 1460 NH1 ARG A 625 1.167 12.712 10.827 1.00 0.00 N ATOM 1461 NH2 ARG A 625 -0.871 13.505 11.522 1.00 0.00 N ATOM 0 H ARG A 625 -1.289 8.812 6.119 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.484 7.087 8.392 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.309 9.443 7.970 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -1.856 10.072 8.503 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -1.664 8.956 10.643 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -0.260 8.052 10.113 1.00 0.00 H new ATOM 0 HD2 ARG A 625 0.756 9.765 11.308 1.00 0.00 H new ATOM 0 HD3 ARG A 625 0.795 10.430 9.687 1.00 0.00 H new ATOM 0 HE ARG A 625 -1.623 11.159 11.170 1.00 0.00 H new ATOM 0 HH11 ARG A 625 1.753 11.943 10.503 1.00 0.00 H new ATOM 0 HH12 ARG A 625 1.566 13.644 10.941 1.00 0.00 H new ATOM 0 HH21 ARG A 625 -1.856 13.346 11.733 1.00 0.00 H new ATOM 0 HH22 ARG A 625 -0.469 14.435 11.635 1.00 0.00 H new ATOM 1475 N GLU A 626 -4.139 8.752 7.420 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.580 8.881 7.606 1.00 0.00 C ATOM 1477 C GLU A 626 -6.282 7.548 7.365 1.00 0.00 C ATOM 1478 O GLU A 626 -7.305 7.253 7.983 1.00 0.00 O ATOM 1479 CB GLU A 626 -6.145 9.945 6.663 1.00 0.00 C ATOM 1480 CG GLU A 626 -6.258 9.482 5.221 1.00 0.00 C ATOM 1481 CD GLU A 626 -7.102 10.414 4.373 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -8.341 10.248 4.363 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -6.526 11.308 3.720 1.00 0.00 O ATOM 0 H GLU A 626 -3.773 9.240 6.603 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.761 9.186 8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -7.131 10.246 7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -5.508 10.829 6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -5.260 9.407 4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -6.692 8.482 5.197 1.00 0.00 H new ATOM 1490 N ILE A 627 -5.724 6.748 6.463 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.297 5.446 6.141 1.00 0.00 C ATOM 1492 C ILE A 627 -5.921 4.405 7.190 1.00 0.00 C ATOM 1493 O ILE A 627 -6.683 3.477 7.457 1.00 0.00 O ATOM 1494 CB ILE A 627 -5.832 4.955 4.757 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.486 5.784 3.651 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.158 3.478 4.583 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -5.773 5.687 2.320 1.00 0.00 C ATOM 0 H ILE A 627 -4.877 6.977 5.943 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.380 5.571 6.129 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.751 5.080 4.687 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.518 5.457 3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -6.518 6.828 3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -5.824 3.145 3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -5.650 2.900 5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.235 3.330 4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -6.292 6.300 1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -4.748 6.042 2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -5.764 4.649 1.987 1.00 0.00 H new ATOM 1509 N GLU A 628 -4.742 4.569 7.782 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.267 3.643 8.803 1.00 0.00 C ATOM 1511 C GLU A 628 -5.050 3.816 10.101 1.00 0.00 C ATOM 1512 O GLU A 628 -5.461 2.838 10.726 1.00 0.00 O ATOM 1513 CB GLU A 628 -2.774 3.858 9.063 1.00 0.00 C ATOM 1514 CG GLU A 628 -2.123 2.731 9.845 1.00 0.00 C ATOM 1515 CD GLU A 628 -2.454 2.778 11.324 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -2.557 3.895 11.873 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -2.612 1.698 11.933 1.00 0.00 O ATOM 0 H GLU A 628 -4.100 5.333 7.572 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.423 2.628 8.437 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.260 3.970 8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -2.640 4.792 9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -2.447 1.775 9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -1.042 2.783 9.717 1.00 0.00 H new ATOM 1524 N LYS A 629 -5.254 5.066 10.501 1.00 0.00 N ATOM 1525 CA LYS A 629 -5.988 5.369 11.724 1.00 0.00 C ATOM 1526 C LYS A 629 -7.448 4.946 11.599 1.00 0.00 C ATOM 1527 O LYS A 629 -8.001 4.315 12.501 1.00 0.00 O ATOM 1528 CB LYS A 629 -5.904 6.864 12.036 1.00 0.00 C ATOM 1529 CG LYS A 629 -6.984 7.689 11.358 1.00 0.00 C ATOM 1530 CD LYS A 629 -6.918 9.149 11.777 1.00 0.00 C ATOM 1531 CE LYS A 629 -7.509 9.356 13.163 1.00 0.00 C ATOM 1532 NZ LYS A 629 -7.519 10.794 13.552 1.00 0.00 N ATOM 0 H LYS A 629 -4.921 5.887 9.995 1.00 0.00 H new ATOM 0 HA LYS A 629 -5.533 4.808 12.541 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -5.974 7.006 13.114 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -4.927 7.236 11.728 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -6.874 7.615 10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -7.964 7.282 11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -5.881 9.485 11.768 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -7.458 9.761 11.055 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -8.527 8.966 13.186 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -6.933 8.786 13.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -7.929 10.894 14.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -6.545 11.160 13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -8.090 11.334 12.870 1.00 0.00 H new ATOM 1546 N ASN A 630 -8.068 5.296 10.477 1.00 0.00 N ATOM 1547 CA ASN A 630 -9.464 4.952 10.236 1.00 0.00 C ATOM 1548 C ASN A 630 -9.639 4.321 8.858 1.00 0.00 C ATOM 1549 O ASN A 630 -9.825 5.008 7.852 1.00 0.00 O ATOM 1550 CB ASN A 630 -10.347 6.197 10.354 1.00 0.00 C ATOM 1551 CG ASN A 630 -11.808 5.852 10.567 1.00 0.00 C ATOM 1552 OD1 ASN A 630 -12.632 6.012 9.667 1.00 0.00 O ATOM 1553 ND2 ASN A 630 -12.135 5.376 11.764 1.00 0.00 N ATOM 0 H ASN A 630 -7.626 5.818 9.720 1.00 0.00 H new ATOM 0 HA ASN A 630 -9.768 4.226 10.990 1.00 0.00 H new ATOM 0 HB2 ASN A 630 -9.997 6.810 11.184 1.00 0.00 H new ATOM 0 HB3 ASN A 630 -10.246 6.797 9.450 1.00 0.00 H new ATOM 0 HD21 ASN A 630 -13.103 5.127 11.967 1.00 0.00 H new ATOM 0 HD22 ASN A 630 -11.418 5.260 12.480 1.00 0.00 H new ATOM 1560 N PRO A 631 -9.577 2.983 8.807 1.00 0.00 N ATOM 1561 CA PRO A 631 -9.726 2.230 7.559 1.00 0.00 C ATOM 1562 C PRO A 631 -11.180 2.139 7.106 1.00 0.00 C ATOM 1563 O PRO A 631 -12.111 2.197 7.911 1.00 0.00 O ATOM 1564 CB PRO A 631 -9.190 0.841 7.916 1.00 0.00 C ATOM 1565 CG PRO A 631 -9.427 0.708 9.380 1.00 0.00 C ATOM 1566 CD PRO A 631 -9.357 2.101 9.966 1.00 0.00 C ATOM 0 HA PRO A 631 -9.200 2.706 6.731 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -9.709 0.061 7.359 1.00 0.00 H new ATOM 0 HB3 PRO A 631 -8.130 0.752 7.677 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -10.400 0.256 9.574 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -8.678 0.060 9.835 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -10.117 2.251 10.732 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -8.391 2.290 10.434 1.00 0.00 H new ATOM 1574 N PRO A 632 -11.383 1.992 5.789 1.00 0.00 N ATOM 1575 CA PRO A 632 -12.722 1.890 5.200 1.00 0.00 C ATOM 1576 C PRO A 632 -13.339 0.510 5.401 1.00 0.00 C ATOM 1577 O PRO A 632 -12.741 -0.361 6.032 1.00 0.00 O ATOM 1578 CB PRO A 632 -12.476 2.155 3.713 1.00 0.00 C ATOM 1579 CG PRO A 632 -11.074 1.714 3.476 1.00 0.00 C ATOM 1580 CD PRO A 632 -10.320 1.916 4.771 1.00 0.00 C ATOM 0 HA PRO A 632 -13.424 2.585 5.660 1.00 0.00 H new ATOM 0 HB2 PRO A 632 -13.177 1.598 3.091 1.00 0.00 H new ATOM 0 HB3 PRO A 632 -12.605 3.210 3.472 1.00 0.00 H new ATOM 0 HG2 PRO A 632 -11.045 0.667 3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 632 -10.619 2.292 2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 632 -9.636 1.091 4.968 1.00 0.00 H new ATOM 0 HD3 PRO A 632 -9.722 2.827 4.748 1.00 0.00 H new ATOM 1588 N ALA A 633 -14.538 0.318 4.860 1.00 0.00 N ATOM 1589 CA ALA A 633 -15.234 -0.956 4.978 1.00 0.00 C ATOM 1590 C ALA A 633 -15.605 -1.508 3.606 1.00 0.00 C ATOM 1591 O ALA A 633 -15.292 -2.653 3.282 1.00 0.00 O ATOM 1592 CB ALA A 633 -16.478 -0.801 5.841 1.00 0.00 C ATOM 0 H ALA A 633 -15.047 1.030 4.336 1.00 0.00 H new ATOM 0 HA ALA A 633 -14.560 -1.667 5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 633 -16.988 -1.761 5.920 1.00 0.00 H new ATOM 0 HB2 ALA A 633 -16.191 -0.460 6.835 1.00 0.00 H new ATOM 0 HB3 ALA A 633 -17.148 -0.071 5.386 1.00 0.00 H new ATOM 1598 N GLN A 634 -16.274 -0.687 2.804 1.00 0.00 N ATOM 1599 CA GLN A 634 -16.689 -1.094 1.467 1.00 0.00 C ATOM 1600 C GLN A 634 -15.674 -0.645 0.421 1.00 0.00 C ATOM 1601 O GLN A 634 -16.041 -0.160 -0.648 1.00 0.00 O ATOM 1602 CB GLN A 634 -18.067 -0.516 1.139 1.00 0.00 C ATOM 1603 CG GLN A 634 -19.220 -1.367 1.644 1.00 0.00 C ATOM 1604 CD GLN A 634 -20.513 -0.583 1.769 1.00 0.00 C ATOM 1605 OE1 GLN A 634 -21.118 -0.200 0.768 1.00 0.00 O ATOM 1606 NE2 GLN A 634 -20.942 -0.342 3.002 1.00 0.00 N ATOM 0 H GLN A 634 -16.540 0.265 3.057 1.00 0.00 H new ATOM 0 HA GLN A 634 -16.746 -2.182 1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 634 -18.146 0.481 1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 634 -18.156 -0.402 0.059 1.00 0.00 H new ATOM 0 HG2 GLN A 634 -19.372 -2.206 0.965 1.00 0.00 H new ATOM 0 HG3 GLN A 634 -18.959 -1.787 2.615 1.00 0.00 H new ATOM 0 HE21 GLN A 634 -20.408 -0.679 3.803 1.00 0.00 H new ATOM 0 HE22 GLN A 634 -21.806 0.180 3.148 1.00 0.00 H new ATOM 1615 N GLY A 635 -14.393 -0.809 0.738 1.00 0.00 N ATOM 1616 CA GLY A 635 -13.344 -0.415 -0.184 1.00 0.00 C ATOM 1617 C GLY A 635 -13.639 0.906 -0.867 1.00 0.00 C ATOM 1618 O GLY A 635 -13.686 0.981 -2.095 1.00 0.00 O ATOM 0 H GLY A 635 -14.063 -1.208 1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 635 -12.400 -0.339 0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 635 -13.218 -1.191 -0.939 1.00 0.00 H new ATOM 1622 N LYS A 636 -13.840 1.951 -0.071 1.00 0.00 N ATOM 1623 CA LYS A 636 -14.131 3.275 -0.605 1.00 0.00 C ATOM 1624 C LYS A 636 -14.072 4.330 0.495 1.00 0.00 C ATOM 1625 O LYS A 636 -14.785 4.241 1.494 1.00 0.00 O ATOM 1626 CB LYS A 636 -15.513 3.288 -1.263 1.00 0.00 C ATOM 1627 CG LYS A 636 -15.693 4.407 -2.275 1.00 0.00 C ATOM 1628 CD LYS A 636 -17.149 4.558 -2.686 1.00 0.00 C ATOM 1629 CE LYS A 636 -17.919 5.426 -1.703 1.00 0.00 C ATOM 1630 NZ LYS A 636 -19.363 5.520 -2.060 1.00 0.00 N ATOM 0 H LYS A 636 -13.806 1.906 0.947 1.00 0.00 H new ATOM 0 HA LYS A 636 -13.375 3.512 -1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 636 -15.680 2.331 -1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 636 -16.274 3.383 -0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 636 -15.335 5.345 -1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 636 -15.084 4.203 -3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 636 -17.203 4.998 -3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 636 -17.615 3.574 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 636 -17.819 5.014 -0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 636 -17.484 6.425 -1.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 636 -19.854 6.120 -1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 636 -19.460 5.936 -3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 636 -19.784 4.569 -2.055 1.00 0.00 H new ATOM 1644 N SER A 637 -13.217 5.330 0.303 1.00 0.00 N ATOM 1645 CA SER A 637 -13.062 6.402 1.280 1.00 0.00 C ATOM 1646 C SER A 637 -14.241 7.367 1.219 1.00 0.00 C ATOM 1647 O SER A 637 -14.912 7.610 2.222 1.00 0.00 O ATOM 1648 CB SER A 637 -11.754 7.158 1.035 1.00 0.00 C ATOM 1649 OG SER A 637 -11.418 7.968 2.149 1.00 0.00 O ATOM 0 H SER A 637 -12.621 5.420 -0.520 1.00 0.00 H new ATOM 0 HA SER A 637 -13.034 5.954 2.273 1.00 0.00 H new ATOM 0 HB2 SER A 637 -10.950 6.448 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 637 -11.851 7.780 0.145 1.00 0.00 H new ATOM 0 HG SER A 637 -10.578 8.439 1.969 1.00 0.00 H new ATOM 1655 N GLY A 638 -14.488 7.915 0.033 1.00 0.00 N ATOM 1656 CA GLY A 638 -15.586 8.849 -0.138 1.00 0.00 C ATOM 1657 C GLY A 638 -15.120 10.291 -0.182 1.00 0.00 C ATOM 1658 O GLY A 638 -15.135 11.001 0.824 1.00 0.00 O ATOM 0 H GLY A 638 -13.948 7.729 -0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 638 -16.118 8.614 -1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 638 -16.295 8.725 0.680 1.00 0.00 H new ATOM 1662 N PRO A 639 -14.693 10.743 -1.370 1.00 0.00 N ATOM 1663 CA PRO A 639 -14.212 12.113 -1.569 1.00 0.00 C ATOM 1664 C PRO A 639 -15.352 13.122 -1.648 1.00 0.00 C ATOM 1665 O PRO A 639 -16.525 12.752 -1.615 1.00 0.00 O ATOM 1666 CB PRO A 639 -13.470 12.038 -2.907 1.00 0.00 C ATOM 1667 CG PRO A 639 -14.135 10.928 -3.646 1.00 0.00 C ATOM 1668 CD PRO A 639 -14.648 9.951 -2.611 1.00 0.00 C ATOM 0 HA PRO A 639 -13.591 12.451 -0.740 1.00 0.00 H new ATOM 0 HB2 PRO A 639 -13.544 12.978 -3.454 1.00 0.00 H new ATOM 0 HB3 PRO A 639 -12.409 11.837 -2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 639 -14.954 11.308 -4.257 1.00 0.00 H new ATOM 0 HG3 PRO A 639 -13.433 10.440 -4.322 1.00 0.00 H new ATOM 0 HD2 PRO A 639 -15.633 9.568 -2.877 1.00 0.00 H new ATOM 0 HD3 PRO A 639 -13.987 9.090 -2.512 1.00 0.00 H new ATOM 1676 N SER A 640 -14.999 14.399 -1.753 1.00 0.00 N ATOM 1677 CA SER A 640 -15.994 15.463 -1.833 1.00 0.00 C ATOM 1678 C SER A 640 -15.969 16.128 -3.206 1.00 0.00 C ATOM 1679 O SER A 640 -14.967 16.724 -3.602 1.00 0.00 O ATOM 1680 CB SER A 640 -15.743 16.507 -0.743 1.00 0.00 C ATOM 1681 OG SER A 640 -16.470 17.696 -1.000 1.00 0.00 O ATOM 0 H SER A 640 -14.032 14.722 -1.785 1.00 0.00 H new ATOM 0 HA SER A 640 -16.978 15.019 -1.682 1.00 0.00 H new ATOM 0 HB2 SER A 640 -16.033 16.102 0.227 1.00 0.00 H new ATOM 0 HB3 SER A 640 -14.678 16.732 -0.689 1.00 0.00 H new ATOM 0 HG SER A 640 -16.294 18.347 -0.289 1.00 0.00 H new ATOM 1687 N SER A 641 -17.079 16.019 -3.929 1.00 0.00 N ATOM 1688 CA SER A 641 -17.185 16.606 -5.260 1.00 0.00 C ATOM 1689 C SER A 641 -18.563 17.226 -5.472 1.00 0.00 C ATOM 1690 O SER A 641 -19.530 16.859 -4.807 1.00 0.00 O ATOM 1691 CB SER A 641 -16.920 15.546 -6.331 1.00 0.00 C ATOM 1692 OG SER A 641 -18.027 14.674 -6.468 1.00 0.00 O ATOM 0 H SER A 641 -17.917 15.530 -3.616 1.00 0.00 H new ATOM 0 HA SER A 641 -16.435 17.392 -5.344 1.00 0.00 H new ATOM 0 HB2 SER A 641 -16.715 16.032 -7.285 1.00 0.00 H new ATOM 0 HB3 SER A 641 -16.031 14.972 -6.068 1.00 0.00 H new ATOM 0 HG SER A 641 -17.834 14.007 -7.159 1.00 0.00 H new ATOM 1698 N GLY A 642 -18.643 18.171 -6.405 1.00 0.00 N ATOM 1699 CA GLY A 642 -19.905 18.827 -6.689 1.00 0.00 C ATOM 1700 C GLY A 642 -20.714 19.096 -5.436 1.00 0.00 C ATOM 1701 O GLY A 642 -20.159 19.440 -4.392 1.00 0.00 O ATOM 0 H GLY A 642 -17.856 18.493 -6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 642 -19.714 19.769 -7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 642 -20.489 18.206 -7.368 1.00 0.00 H new TER 1705 GLY A 642