USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 598 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 637 SER OG : rot 120:sc= -0.467 USER MOD Set 1.2: A 638 ASN : amide:sc= -4.54! K(o=-5!,f=-1.5) USER MOD Set 2.1: A 561 THR OG1 : rot -122:sc= 0.289 USER MOD Set 2.2: A 583 SER OG : rot -120:sc= 0.273 USER MOD Set 3.1: A 572 THR OG1 : rot -60:sc= 2.12 USER MOD Set 3.2: A 574 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 575 SER OG : rot 41:sc= 0.511 USER MOD Single : A 557 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 564 THR OG1 : rot 180:sc= -0.472 USER MOD Single : A 565 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 568 SER OG : rot 15:sc= -1.32 USER MOD Single : A 569 THR OG1 : rot 180:sc= 0.34 USER MOD Single : A 571 GLN : amide:sc= -0.98 K(o=-0.98,f=-2.9!) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0 USER MOD Single : A 577 THR OG1 : rot -167:sc= -0.623 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 82:sc= 0.293 USER MOD Single : A 584 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 586 ASN : amide:sc= -0.282 K(o=-0.28,f=-2.1) USER MOD Single : A 590 THR OG1 : rot 180:sc= 0 USER MOD Single : A 592 TYR OH : rot 30:sc= 0.0963 USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN : amide:sc= -0.0155 X(o=-0.016,f=-0.19) USER MOD Single : A 598 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 THR OG1 : rot 163:sc= 0.022 USER MOD Single : A 603 THR OG1 : rot 180:sc= 0 USER MOD Single : A 605 THR OG1 : rot 180:sc= 0 USER MOD Single : A 607 THR OG1 : rot 180:sc= 0 USER MOD Single : A 608 THR OG1 : rot 180:sc= 0 USER MOD Single : A 610 THR OG1 : rot 180:sc= 0 USER MOD Single : A 612 SER OG : rot 180:sc= -0.425 USER MOD Single : A 618 THR OG1 : rot 90:sc= 0.731 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 TYR OH : rot 30:sc= 0 USER MOD Single : A 621 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 623 THR OG1 : rot 180:sc= -0.0432 USER MOD Single : A 625 LYS NZ :NH3+ -177:sc= 0.0132 (180deg=0.0129) USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 632 ASN : amide:sc= -0.071 K(o=-0.071,f=0.63) USER MOD Single : A 634 SER OG : rot -100:sc= -0.37 USER MOD Single : A 641 SER OG : rot 180:sc= 0.0644 USER MOD Single : A 643 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 644 THR OG1 : rot 125:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 557 -21.284 3.717 6.839 1.00 0.00 N ATOM 2 CA HIS A 557 -20.401 4.692 6.149 1.00 0.00 C ATOM 3 C HIS A 557 -20.278 4.371 4.663 1.00 0.00 C ATOM 4 O HIS A 557 -20.840 3.386 4.183 1.00 0.00 O ATOM 5 CB HIS A 557 -19.024 4.656 6.814 1.00 0.00 C ATOM 6 CG HIS A 557 -18.967 5.402 8.110 1.00 0.00 C ATOM 7 ND1 HIS A 557 -19.268 4.824 9.325 1.00 0.00 N ATOM 8 CD2 HIS A 557 -18.641 6.689 8.377 1.00 0.00 C ATOM 9 CE1 HIS A 557 -19.132 5.723 10.284 1.00 0.00 C ATOM 10 NE2 HIS A 557 -18.753 6.863 9.734 1.00 0.00 N ATOM 0 HA HIS A 557 -20.834 5.689 6.233 1.00 0.00 H new ATOM 0 HB2 HIS A 557 -18.741 3.618 6.989 1.00 0.00 H new ATOM 0 HB3 HIS A 557 -18.288 5.076 6.129 1.00 0.00 H new ATOM 0 HD2 HIS A 557 -18.348 7.438 7.657 1.00 0.00 H new ATOM 0 HE1 HIS A 557 -19.302 5.555 11.337 1.00 0.00 H new ATOM 0 HE2 HIS A 557 -18.573 7.732 10.237 1.00 0.00 H new ATOM 21 N MET A 558 -19.541 5.208 3.941 1.00 0.00 N ATOM 22 CA MET A 558 -19.342 5.014 2.510 1.00 0.00 C ATOM 23 C MET A 558 -17.957 4.444 2.223 1.00 0.00 C ATOM 24 O MET A 558 -17.682 3.981 1.117 1.00 0.00 O ATOM 25 CB MET A 558 -19.527 6.337 1.762 1.00 0.00 C ATOM 26 CG MET A 558 -20.973 6.800 1.695 1.00 0.00 C ATOM 27 SD MET A 558 -21.259 8.321 2.623 1.00 0.00 S ATOM 28 CE MET A 558 -23.032 8.238 2.873 1.00 0.00 C ATOM 0 H MET A 558 -19.071 6.028 4.324 1.00 0.00 H new ATOM 0 HA MET A 558 -20.088 4.300 2.161 1.00 0.00 H new ATOM 0 HB2 MET A 558 -18.930 7.107 2.250 1.00 0.00 H new ATOM 0 HB3 MET A 558 -19.141 6.229 0.748 1.00 0.00 H new ATOM 0 HG2 MET A 558 -21.252 6.957 0.653 1.00 0.00 H new ATOM 0 HG3 MET A 558 -21.621 6.014 2.084 1.00 0.00 H new ATOM 0 HE1 MET A 558 -23.362 9.112 3.434 1.00 0.00 H new ATOM 0 HE2 MET A 558 -23.535 8.216 1.906 1.00 0.00 H new ATOM 0 HE3 MET A 558 -23.279 7.335 3.431 1.00 0.00 H new ATOM 38 N ALA A 559 -17.087 4.480 3.229 1.00 0.00 N ATOM 39 CA ALA A 559 -15.729 3.967 3.087 1.00 0.00 C ATOM 40 C ALA A 559 -15.726 2.447 2.932 1.00 0.00 C ATOM 41 O ALA A 559 -16.573 1.756 3.499 1.00 0.00 O ATOM 42 CB ALA A 559 -14.882 4.377 4.281 1.00 0.00 C ATOM 0 H ALA A 559 -17.299 4.860 4.152 1.00 0.00 H new ATOM 0 HA ALA A 559 -15.299 4.399 2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -13.871 3.987 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -14.846 5.465 4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -15.321 3.974 5.194 1.00 0.00 H new ATOM 48 N PRO A 560 -14.769 1.903 2.157 1.00 0.00 N ATOM 49 CA PRO A 560 -14.659 0.459 1.930 1.00 0.00 C ATOM 50 C PRO A 560 -13.996 -0.267 3.100 1.00 0.00 C ATOM 51 O PRO A 560 -14.263 0.039 4.262 1.00 0.00 O ATOM 52 CB PRO A 560 -13.787 0.383 0.680 1.00 0.00 C ATOM 53 CG PRO A 560 -12.896 1.571 0.781 1.00 0.00 C ATOM 54 CD PRO A 560 -13.715 2.652 1.439 1.00 0.00 C ATOM 0 HA PRO A 560 -15.631 -0.022 1.824 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -13.213 -0.543 0.651 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -14.389 0.414 -0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -12.007 1.343 1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.554 1.887 -0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.113 3.251 2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.139 3.336 0.704 1.00 0.00 H new ATOM 62 N THR A 561 -13.130 -1.229 2.786 1.00 0.00 N ATOM 63 CA THR A 561 -12.430 -1.995 3.812 1.00 0.00 C ATOM 64 C THR A 561 -10.930 -1.719 3.774 1.00 0.00 C ATOM 65 O THR A 561 -10.319 -1.697 2.706 1.00 0.00 O ATOM 66 CB THR A 561 -12.667 -3.507 3.645 1.00 0.00 C ATOM 67 OG1 THR A 561 -13.662 -3.738 2.640 1.00 0.00 O ATOM 68 CG2 THR A 561 -13.111 -4.134 4.957 1.00 0.00 C ATOM 0 H THR A 561 -12.897 -1.495 1.829 1.00 0.00 H new ATOM 0 HA THR A 561 -12.832 -1.677 4.774 1.00 0.00 H new ATOM 0 HB THR A 561 -11.728 -3.968 3.340 1.00 0.00 H new ATOM 0 HG1 THR A 561 -14.406 -4.245 3.027 1.00 0.00 H new ATOM 0 HG21 THR A 561 -13.272 -5.202 4.814 1.00 0.00 H new ATOM 0 HG22 THR A 561 -12.340 -3.981 5.712 1.00 0.00 H new ATOM 0 HG23 THR A 561 -14.040 -3.668 5.287 1.00 0.00 H new ATOM 76 N ALA A 562 -10.344 -1.506 4.949 1.00 0.00 N ATOM 77 CA ALA A 562 -8.916 -1.226 5.057 1.00 0.00 C ATOM 78 C ALA A 562 -8.085 -2.503 4.934 1.00 0.00 C ATOM 79 O ALA A 562 -8.351 -3.493 5.616 1.00 0.00 O ATOM 80 CB ALA A 562 -8.618 -0.532 6.378 1.00 0.00 C ATOM 0 H ALA A 562 -10.838 -1.522 5.841 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.640 -0.567 4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.550 -0.328 6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -9.171 0.406 6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.919 -1.177 7.204 1.00 0.00 H new ATOM 86 N PRO A 563 -7.056 -2.492 4.063 1.00 0.00 N ATOM 87 CA PRO A 563 -6.176 -3.651 3.860 1.00 0.00 C ATOM 88 C PRO A 563 -5.569 -4.145 5.169 1.00 0.00 C ATOM 89 O PRO A 563 -5.705 -3.501 6.209 1.00 0.00 O ATOM 90 CB PRO A 563 -5.077 -3.112 2.939 1.00 0.00 C ATOM 91 CG PRO A 563 -5.699 -1.953 2.239 1.00 0.00 C ATOM 92 CD PRO A 563 -6.668 -1.349 3.216 1.00 0.00 C ATOM 0 HA PRO A 563 -6.715 -4.504 3.447 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.199 -2.805 3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.748 -3.872 2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.943 -1.227 1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -6.210 -2.274 1.331 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.206 -0.554 3.801 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.529 -0.913 2.710 1.00 0.00 H new ATOM 100 N THR A 564 -4.899 -5.291 5.113 1.00 0.00 N ATOM 101 CA THR A 564 -4.273 -5.866 6.297 1.00 0.00 C ATOM 102 C THR A 564 -3.251 -6.932 5.920 1.00 0.00 C ATOM 103 O THR A 564 -3.240 -7.422 4.789 1.00 0.00 O ATOM 104 CB THR A 564 -5.322 -6.484 7.238 1.00 0.00 C ATOM 105 OG1 THR A 564 -4.679 -7.250 8.264 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.277 -7.371 6.459 1.00 0.00 C ATOM 0 H THR A 564 -4.776 -5.839 4.262 1.00 0.00 H new ATOM 0 HA THR A 564 -3.765 -5.052 6.814 1.00 0.00 H new ATOM 0 HB THR A 564 -5.888 -5.675 7.699 1.00 0.00 H new ATOM 0 HG1 THR A 564 -5.357 -7.636 8.857 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.012 -7.800 7.140 1.00 0.00 H new ATOM 0 HG22 THR A 564 -6.788 -6.778 5.700 1.00 0.00 H new ATOM 0 HG23 THR A 564 -5.718 -8.173 5.977 1.00 0.00 H new ATOM 114 N ASN A 565 -2.397 -7.289 6.875 1.00 0.00 N ATOM 115 CA ASN A 565 -1.369 -8.301 6.653 1.00 0.00 C ATOM 116 C ASN A 565 -0.448 -7.912 5.500 1.00 0.00 C ATOM 117 O ASN A 565 0.026 -8.772 4.757 1.00 0.00 O ATOM 118 CB ASN A 565 -2.012 -9.659 6.374 1.00 0.00 C ATOM 119 CG ASN A 565 -1.154 -10.815 6.858 1.00 0.00 C ATOM 120 OD1 ASN A 565 -0.409 -11.415 6.083 1.00 0.00 O ATOM 121 ND2 ASN A 565 -1.255 -11.131 8.143 1.00 0.00 N ATOM 0 H ASN A 565 -2.397 -6.890 7.814 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.767 -8.370 7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -2.986 -9.704 6.861 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -2.186 -9.763 5.303 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -0.702 -11.899 8.524 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -1.886 -10.606 8.749 1.00 0.00 H new ATOM 128 N LEU A 566 -0.192 -6.613 5.358 1.00 0.00 N ATOM 129 CA LEU A 566 0.682 -6.124 4.296 1.00 0.00 C ATOM 130 C LEU A 566 2.081 -6.708 4.448 1.00 0.00 C ATOM 131 O LEU A 566 2.467 -7.145 5.533 1.00 0.00 O ATOM 132 CB LEU A 566 0.749 -4.594 4.310 1.00 0.00 C ATOM 133 CG LEU A 566 1.803 -3.980 3.383 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.423 -4.181 1.925 1.00 0.00 C ATOM 135 CD2 LEU A 566 1.981 -2.504 3.684 1.00 0.00 C ATOM 0 H LEU A 566 -0.575 -5.885 5.961 1.00 0.00 H new ATOM 0 HA LEU A 566 0.267 -6.445 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -0.229 -4.201 4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 566 0.948 -4.264 5.330 1.00 0.00 H new ATOM 0 HG LEU A 566 2.750 -4.488 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.186 -3.737 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.347 -5.247 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.463 -3.703 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 566 2.733 -2.085 3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.034 -1.985 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 566 2.304 -2.380 4.718 1.00 0.00 H new ATOM 147 N ALA A 567 2.835 -6.711 3.358 1.00 0.00 N ATOM 148 CA ALA A 567 4.190 -7.242 3.373 1.00 0.00 C ATOM 149 C ALA A 567 4.992 -6.742 2.180 1.00 0.00 C ATOM 150 O ALA A 567 4.498 -5.962 1.367 1.00 0.00 O ATOM 151 CB ALA A 567 4.160 -8.763 3.391 1.00 0.00 C ATOM 0 H ALA A 567 2.532 -6.352 2.453 1.00 0.00 H new ATOM 0 HA ALA A 567 4.681 -6.887 4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 567 5.180 -9.147 3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.633 -9.106 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.645 -9.127 2.502 1.00 0.00 H new ATOM 157 N SER A 568 6.228 -7.213 2.078 1.00 0.00 N ATOM 158 CA SER A 568 7.109 -6.835 0.981 1.00 0.00 C ATOM 159 C SER A 568 7.991 -8.015 0.588 1.00 0.00 C ATOM 160 O SER A 568 8.654 -8.612 1.435 1.00 0.00 O ATOM 161 CB SER A 568 7.973 -5.637 1.377 1.00 0.00 C ATOM 162 OG SER A 568 8.497 -4.989 0.231 1.00 0.00 O ATOM 0 H SER A 568 6.645 -7.861 2.746 1.00 0.00 H new ATOM 0 HA SER A 568 6.497 -6.551 0.125 1.00 0.00 H new ATOM 0 HB2 SER A 568 7.379 -4.932 1.958 1.00 0.00 H new ATOM 0 HB3 SER A 568 8.790 -5.969 2.017 1.00 0.00 H new ATOM 0 HG SER A 568 8.010 -5.288 -0.565 1.00 0.00 H new ATOM 168 N THR A 569 7.985 -8.356 -0.697 1.00 0.00 N ATOM 169 CA THR A 569 8.776 -9.476 -1.190 1.00 0.00 C ATOM 170 C THR A 569 10.075 -9.003 -1.837 1.00 0.00 C ATOM 171 O THR A 569 11.138 -9.040 -1.214 1.00 0.00 O ATOM 172 CB THR A 569 7.983 -10.314 -2.211 1.00 0.00 C ATOM 173 OG1 THR A 569 7.361 -9.456 -3.175 1.00 0.00 O ATOM 174 CG2 THR A 569 6.919 -11.152 -1.516 1.00 0.00 C ATOM 0 H THR A 569 7.442 -7.874 -1.413 1.00 0.00 H new ATOM 0 HA THR A 569 9.015 -10.094 -0.325 1.00 0.00 H new ATOM 0 HB THR A 569 8.681 -10.983 -2.715 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.861 -9.998 -3.821 1.00 0.00 H new ATOM 0 HG21 THR A 569 6.373 -11.735 -2.258 1.00 0.00 H new ATOM 0 HG22 THR A 569 7.395 -11.826 -0.804 1.00 0.00 H new ATOM 0 HG23 THR A 569 6.227 -10.496 -0.988 1.00 0.00 H new ATOM 182 N ALA A 570 9.986 -8.571 -3.090 1.00 0.00 N ATOM 183 CA ALA A 570 11.156 -8.102 -3.823 1.00 0.00 C ATOM 184 C ALA A 570 11.469 -6.646 -3.506 1.00 0.00 C ATOM 185 O ALA A 570 10.796 -5.736 -3.991 1.00 0.00 O ATOM 186 CB ALA A 570 10.945 -8.283 -5.319 1.00 0.00 C ATOM 0 H ALA A 570 9.115 -8.536 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 570 12.010 -8.701 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.825 -7.929 -5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.786 -9.339 -5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 570 10.073 -7.711 -5.635 1.00 0.00 H new ATOM 192 N GLN A 571 12.500 -6.433 -2.696 1.00 0.00 N ATOM 193 CA GLN A 571 12.913 -5.087 -2.322 1.00 0.00 C ATOM 194 C GLN A 571 14.351 -4.830 -2.759 1.00 0.00 C ATOM 195 O GLN A 571 15.295 -5.091 -2.012 1.00 0.00 O ATOM 196 CB GLN A 571 12.781 -4.884 -0.810 1.00 0.00 C ATOM 197 CG GLN A 571 11.607 -5.629 -0.193 1.00 0.00 C ATOM 198 CD GLN A 571 12.023 -6.516 0.964 1.00 0.00 C ATOM 199 OE1 GLN A 571 11.299 -6.646 1.952 1.00 0.00 O ATOM 200 NE2 GLN A 571 13.194 -7.130 0.849 1.00 0.00 N ATOM 0 H GLN A 571 13.065 -7.177 -2.286 1.00 0.00 H new ATOM 0 HA GLN A 571 12.259 -4.377 -2.828 1.00 0.00 H new ATOM 0 HB2 GLN A 571 13.702 -5.211 -0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.673 -3.819 -0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 571 10.866 -4.909 0.154 1.00 0.00 H new ATOM 0 HG3 GLN A 571 11.125 -6.238 -0.958 1.00 0.00 H new ATOM 0 HE21 GLN A 571 13.761 -6.994 0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 571 13.527 -7.738 1.597 1.00 0.00 H new ATOM 209 N THR A 572 14.510 -4.322 -3.978 1.00 0.00 N ATOM 210 CA THR A 572 15.832 -4.033 -4.518 1.00 0.00 C ATOM 211 C THR A 572 16.357 -2.698 -3.999 1.00 0.00 C ATOM 212 O THR A 572 15.909 -2.208 -2.963 1.00 0.00 O ATOM 213 CB THR A 572 15.818 -4.017 -6.058 1.00 0.00 C ATOM 214 OG1 THR A 572 14.918 -3.009 -6.532 1.00 0.00 O ATOM 215 CG2 THR A 572 15.401 -5.374 -6.606 1.00 0.00 C ATOM 0 H THR A 572 13.739 -4.103 -4.609 1.00 0.00 H new ATOM 0 HA THR A 572 16.496 -4.830 -4.183 1.00 0.00 H new ATOM 0 HB THR A 572 16.826 -3.793 -6.406 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.013 -3.200 -6.209 1.00 0.00 H new ATOM 0 HG21 THR A 572 15.398 -5.341 -7.695 1.00 0.00 H new ATOM 0 HG22 THR A 572 16.105 -6.135 -6.268 1.00 0.00 H new ATOM 0 HG23 THR A 572 14.401 -5.620 -6.247 1.00 0.00 H new ATOM 223 N THR A 573 17.312 -2.116 -4.718 1.00 0.00 N ATOM 224 CA THR A 573 17.899 -0.844 -4.320 1.00 0.00 C ATOM 225 C THR A 573 17.210 0.332 -5.006 1.00 0.00 C ATOM 226 O THR A 573 17.791 1.410 -5.135 1.00 0.00 O ATOM 227 CB THR A 573 19.404 -0.800 -4.641 1.00 0.00 C ATOM 228 OG1 THR A 573 19.604 -0.857 -6.059 1.00 0.00 O ATOM 229 CG2 THR A 573 20.134 -1.957 -3.975 1.00 0.00 C ATOM 0 H THR A 573 17.695 -2.506 -5.579 1.00 0.00 H new ATOM 0 HA THR A 573 17.757 -0.758 -3.243 1.00 0.00 H new ATOM 0 HB THR A 573 19.808 0.135 -4.254 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.564 -0.827 -6.255 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.196 -1.905 -4.216 1.00 0.00 H new ATOM 0 HG22 THR A 573 20.004 -1.896 -2.895 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.726 -2.901 -4.336 1.00 0.00 H new ATOM 237 N SER A 574 15.969 0.124 -5.441 1.00 0.00 N ATOM 238 CA SER A 574 15.213 1.180 -6.109 1.00 0.00 C ATOM 239 C SER A 574 13.743 0.801 -6.265 1.00 0.00 C ATOM 240 O SER A 574 12.854 1.614 -6.012 1.00 0.00 O ATOM 241 CB SER A 574 15.820 1.481 -7.480 1.00 0.00 C ATOM 242 OG SER A 574 16.248 0.292 -8.122 1.00 0.00 O ATOM 0 H SER A 574 15.469 -0.760 -5.344 1.00 0.00 H new ATOM 0 HA SER A 574 15.269 2.072 -5.485 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.084 1.989 -8.103 1.00 0.00 H new ATOM 0 HB3 SER A 574 16.665 2.160 -7.366 1.00 0.00 H new ATOM 0 HG SER A 574 16.630 0.512 -8.997 1.00 0.00 H new ATOM 248 N SER A 575 13.490 -0.435 -6.687 1.00 0.00 N ATOM 249 CA SER A 575 12.124 -0.910 -6.877 1.00 0.00 C ATOM 250 C SER A 575 11.722 -1.879 -5.770 1.00 0.00 C ATOM 251 O SER A 575 12.512 -2.728 -5.358 1.00 0.00 O ATOM 252 CB SER A 575 11.982 -1.588 -8.242 1.00 0.00 C ATOM 253 OG SER A 575 13.223 -2.109 -8.685 1.00 0.00 O ATOM 0 H SER A 575 14.211 -1.123 -6.903 1.00 0.00 H new ATOM 0 HA SER A 575 11.459 -0.047 -6.836 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.249 -2.392 -8.177 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.605 -0.870 -8.970 1.00 0.00 H new ATOM 0 HG SER A 575 13.691 -2.525 -7.931 1.00 0.00 H new ATOM 259 N ILE A 576 10.489 -1.744 -5.291 1.00 0.00 N ATOM 260 CA ILE A 576 9.982 -2.607 -4.230 1.00 0.00 C ATOM 261 C ILE A 576 8.620 -3.189 -4.596 1.00 0.00 C ATOM 262 O ILE A 576 7.829 -2.554 -5.296 1.00 0.00 O ATOM 263 CB ILE A 576 9.866 -1.846 -2.892 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.638 -2.830 -1.740 1.00 0.00 C ATOM 265 CG2 ILE A 576 8.742 -0.820 -2.956 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.474 -2.163 -0.390 1.00 0.00 C ATOM 0 H ILE A 576 9.823 -1.045 -5.621 1.00 0.00 H new ATOM 0 HA ILE A 576 10.699 -3.420 -4.114 1.00 0.00 H new ATOM 0 HB ILE A 576 10.800 -1.315 -2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.749 -3.423 -1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.479 -3.522 -1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 576 8.675 -0.293 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 576 8.947 -0.105 -3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 576 7.798 -1.326 -3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.317 -2.923 0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.372 -1.592 -0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 576 8.615 -1.493 -0.417 1.00 0.00 H new ATOM 278 N THR A 577 8.353 -4.400 -4.114 1.00 0.00 N ATOM 279 CA THR A 577 7.087 -5.071 -4.383 1.00 0.00 C ATOM 280 C THR A 577 6.302 -5.289 -3.094 1.00 0.00 C ATOM 281 O THR A 577 6.682 -6.103 -2.251 1.00 0.00 O ATOM 282 CB THR A 577 7.304 -6.429 -5.077 1.00 0.00 C ATOM 283 OG1 THR A 577 8.304 -6.305 -6.095 1.00 0.00 O ATOM 284 CG2 THR A 577 6.008 -6.934 -5.692 1.00 0.00 C ATOM 0 H THR A 577 8.998 -4.936 -3.534 1.00 0.00 H new ATOM 0 HA THR A 577 6.518 -4.422 -5.049 1.00 0.00 H new ATOM 0 HB THR A 577 7.637 -7.147 -4.327 1.00 0.00 H new ATOM 0 HG1 THR A 577 8.292 -7.103 -6.664 1.00 0.00 H new ATOM 0 HG21 THR A 577 6.185 -7.894 -6.177 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.257 -7.055 -4.911 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.651 -6.216 -6.430 1.00 0.00 H new ATOM 292 N LEU A 578 5.206 -4.553 -2.947 1.00 0.00 N ATOM 293 CA LEU A 578 4.363 -4.654 -1.762 1.00 0.00 C ATOM 294 C LEU A 578 3.136 -5.517 -2.039 1.00 0.00 C ATOM 295 O LEU A 578 2.480 -5.364 -3.068 1.00 0.00 O ATOM 296 CB LEU A 578 3.932 -3.255 -1.311 1.00 0.00 C ATOM 297 CG LEU A 578 4.257 -2.894 0.144 1.00 0.00 C ATOM 298 CD1 LEU A 578 5.678 -3.299 0.507 1.00 0.00 C ATOM 299 CD2 LEU A 578 4.059 -1.403 0.370 1.00 0.00 C ATOM 0 H LEU A 578 4.880 -3.877 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 578 4.939 -5.127 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 578 4.407 -2.521 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 578 2.856 -3.162 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 578 3.575 -3.446 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.879 -3.030 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 578 5.793 -4.376 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 578 6.382 -2.781 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 578 4.292 -1.158 1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.719 -0.844 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 578 3.023 -1.137 0.159 1.00 0.00 H new ATOM 311 N SER A 579 2.830 -6.421 -1.114 1.00 0.00 N ATOM 312 CA SER A 579 1.678 -7.307 -1.261 1.00 0.00 C ATOM 313 C SER A 579 0.832 -7.305 0.008 1.00 0.00 C ATOM 314 O SER A 579 1.364 -7.291 1.118 1.00 0.00 O ATOM 315 CB SER A 579 2.140 -8.729 -1.582 1.00 0.00 C ATOM 316 OG SER A 579 1.034 -9.589 -1.795 1.00 0.00 O ATOM 0 H SER A 579 3.362 -6.560 -0.255 1.00 0.00 H new ATOM 0 HA SER A 579 1.067 -6.940 -2.085 1.00 0.00 H new ATOM 0 HB2 SER A 579 2.772 -8.718 -2.470 1.00 0.00 H new ATOM 0 HB3 SER A 579 2.749 -9.111 -0.762 1.00 0.00 H new ATOM 0 HG SER A 579 1.356 -10.492 -2.000 1.00 0.00 H new ATOM 322 N TRP A 580 -0.486 -7.313 -0.160 1.00 0.00 N ATOM 323 CA TRP A 580 -1.401 -7.303 0.977 1.00 0.00 C ATOM 324 C TRP A 580 -2.719 -7.983 0.631 1.00 0.00 C ATOM 325 O TRP A 580 -2.988 -8.290 -0.531 1.00 0.00 O ATOM 326 CB TRP A 580 -1.667 -5.867 1.426 1.00 0.00 C ATOM 327 CG TRP A 580 -2.290 -5.024 0.355 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.616 -4.740 0.201 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.610 -4.366 -0.718 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.802 -3.940 -0.902 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.584 -3.697 -1.482 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.272 -4.274 -1.103 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.259 -2.948 -2.610 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.050 -3.532 -2.223 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.940 -2.877 -2.965 1.00 0.00 C ATOM 0 H TRP A 580 -0.945 -7.326 -1.071 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.931 -7.858 1.789 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.322 -5.880 2.297 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.728 -5.411 1.740 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.404 -5.092 0.850 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.699 -3.586 -1.234 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.499 -4.774 -0.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -3.021 -2.441 -3.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.082 -3.456 -2.531 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.657 -2.304 -3.835 1.00 0.00 H new ATOM 346 N THR A 581 -3.543 -8.211 1.650 1.00 0.00 N ATOM 347 CA THR A 581 -4.838 -8.849 1.459 1.00 0.00 C ATOM 348 C THR A 581 -5.870 -7.851 0.948 1.00 0.00 C ATOM 349 O THR A 581 -5.961 -6.729 1.445 1.00 0.00 O ATOM 350 CB THR A 581 -5.352 -9.480 2.766 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.256 -10.009 3.522 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.353 -10.587 2.472 1.00 0.00 C ATOM 0 H THR A 581 -3.335 -7.962 2.617 1.00 0.00 H new ATOM 0 HA THR A 581 -4.698 -9.635 0.717 1.00 0.00 H new ATOM 0 HB THR A 581 -5.850 -8.704 3.347 1.00 0.00 H new ATOM 0 HG1 THR A 581 -3.828 -9.286 4.027 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.703 -11.019 3.409 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.200 -10.175 1.923 1.00 0.00 H new ATOM 0 HG23 THR A 581 -5.874 -11.361 1.872 1.00 0.00 H new ATOM 360 N ALA A 582 -6.645 -8.268 -0.048 1.00 0.00 N ATOM 361 CA ALA A 582 -7.672 -7.412 -0.628 1.00 0.00 C ATOM 362 C ALA A 582 -8.744 -7.070 0.401 1.00 0.00 C ATOM 363 O ALA A 582 -8.739 -7.593 1.515 1.00 0.00 O ATOM 364 CB ALA A 582 -8.297 -8.086 -1.840 1.00 0.00 C ATOM 0 H ALA A 582 -6.581 -9.194 -0.470 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.200 -6.482 -0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -9.062 -7.436 -2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -7.527 -8.275 -2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.750 -9.030 -1.538 1.00 0.00 H new ATOM 370 N SER A 583 -9.662 -6.190 0.018 1.00 0.00 N ATOM 371 CA SER A 583 -10.743 -5.777 0.906 1.00 0.00 C ATOM 372 C SER A 583 -11.817 -6.856 0.992 1.00 0.00 C ATOM 373 O SER A 583 -11.965 -7.671 0.082 1.00 0.00 O ATOM 374 CB SER A 583 -11.357 -4.464 0.417 1.00 0.00 C ATOM 375 OG SER A 583 -12.489 -4.703 -0.401 1.00 0.00 O ATOM 0 H SER A 583 -9.680 -5.749 -0.901 1.00 0.00 H new ATOM 0 HA SER A 583 -10.327 -5.626 1.902 1.00 0.00 H new ATOM 0 HB2 SER A 583 -11.645 -3.853 1.272 1.00 0.00 H new ATOM 0 HB3 SER A 583 -10.613 -3.897 -0.143 1.00 0.00 H new ATOM 0 HG SER A 583 -12.336 -4.322 -1.291 1.00 0.00 H new ATOM 381 N THR A 584 -12.566 -6.854 2.092 1.00 0.00 N ATOM 382 CA THR A 584 -13.627 -7.835 2.295 1.00 0.00 C ATOM 383 C THR A 584 -14.962 -7.315 1.769 1.00 0.00 C ATOM 384 O THR A 584 -16.024 -7.824 2.131 1.00 0.00 O ATOM 385 CB THR A 584 -13.782 -8.199 3.784 1.00 0.00 C ATOM 386 OG1 THR A 584 -14.193 -7.048 4.530 1.00 0.00 O ATOM 387 CG2 THR A 584 -12.475 -8.736 4.349 1.00 0.00 C ATOM 0 H THR A 584 -12.458 -6.185 2.855 1.00 0.00 H new ATOM 0 HA THR A 584 -13.341 -8.728 1.740 1.00 0.00 H new ATOM 0 HB THR A 584 -14.542 -8.976 3.868 1.00 0.00 H new ATOM 0 HG1 THR A 584 -14.291 -7.288 5.475 1.00 0.00 H new ATOM 0 HG21 THR A 584 -12.609 -8.986 5.401 1.00 0.00 H new ATOM 0 HG22 THR A 584 -12.180 -9.629 3.798 1.00 0.00 H new ATOM 0 HG23 THR A 584 -11.698 -7.978 4.252 1.00 0.00 H new ATOM 395 N ASP A 585 -14.898 -6.299 0.914 1.00 0.00 N ATOM 396 CA ASP A 585 -16.100 -5.708 0.335 1.00 0.00 C ATOM 397 C ASP A 585 -16.012 -5.678 -1.187 1.00 0.00 C ATOM 398 O ASP A 585 -16.730 -6.405 -1.873 1.00 0.00 O ATOM 399 CB ASP A 585 -16.311 -4.294 0.875 1.00 0.00 C ATOM 400 CG ASP A 585 -16.821 -4.289 2.302 1.00 0.00 C ATOM 401 OD1 ASP A 585 -16.234 -4.998 3.145 1.00 0.00 O ATOM 402 OD2 ASP A 585 -17.807 -3.573 2.578 1.00 0.00 O ATOM 0 H ASP A 585 -14.026 -5.868 0.607 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.951 -6.326 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -15.370 -3.746 0.827 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -17.020 -3.767 0.237 1.00 0.00 H new ATOM 407 N ASN A 586 -15.123 -4.835 -1.707 1.00 0.00 N ATOM 408 CA ASN A 586 -14.934 -4.708 -3.148 1.00 0.00 C ATOM 409 C ASN A 586 -16.252 -4.386 -3.847 1.00 0.00 C ATOM 410 O ASN A 586 -16.469 -4.769 -4.997 1.00 0.00 O ATOM 411 CB ASN A 586 -14.336 -5.993 -3.717 1.00 0.00 C ATOM 412 CG ASN A 586 -13.710 -5.792 -5.084 1.00 0.00 C ATOM 413 OD1 ASN A 586 -13.898 -4.754 -5.719 1.00 0.00 O ATOM 414 ND2 ASN A 586 -12.961 -6.786 -5.544 1.00 0.00 N ATOM 0 H ASN A 586 -14.521 -4.229 -1.149 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.243 -3.884 -3.328 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -13.581 -6.374 -3.029 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -15.115 -6.752 -3.787 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -12.514 -6.707 -6.458 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -12.832 -7.629 -4.984 1.00 0.00 H new ATOM 421 N VAL A 587 -17.130 -3.677 -3.143 1.00 0.00 N ATOM 422 CA VAL A 587 -18.428 -3.301 -3.692 1.00 0.00 C ATOM 423 C VAL A 587 -18.348 -1.960 -4.418 1.00 0.00 C ATOM 424 O VAL A 587 -19.273 -1.575 -5.133 1.00 0.00 O ATOM 425 CB VAL A 587 -19.501 -3.224 -2.586 1.00 0.00 C ATOM 426 CG1 VAL A 587 -19.374 -1.931 -1.791 1.00 0.00 C ATOM 427 CG2 VAL A 587 -20.893 -3.354 -3.184 1.00 0.00 C ATOM 0 H VAL A 587 -16.965 -3.351 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 587 -18.713 -4.075 -4.405 1.00 0.00 H new ATOM 0 HB VAL A 587 -19.342 -4.056 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -20.142 -1.902 -1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -18.389 -1.885 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -19.500 -1.079 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -21.637 -3.298 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -21.060 -2.546 -3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -20.981 -4.312 -3.696 1.00 0.00 H new ATOM 437 N GLY A 588 -17.237 -1.256 -4.226 1.00 0.00 N ATOM 438 CA GLY A 588 -17.054 0.034 -4.865 1.00 0.00 C ATOM 439 C GLY A 588 -15.591 0.409 -5.003 1.00 0.00 C ATOM 440 O GLY A 588 -15.258 1.431 -5.602 1.00 0.00 O ATOM 0 H GLY A 588 -16.459 -1.557 -3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.516 0.016 -5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.569 0.800 -4.285 1.00 0.00 H new ATOM 444 N VAL A 589 -14.715 -0.423 -4.445 1.00 0.00 N ATOM 445 CA VAL A 589 -13.279 -0.178 -4.505 1.00 0.00 C ATOM 446 C VAL A 589 -12.778 -0.189 -5.945 1.00 0.00 C ATOM 447 O VAL A 589 -13.111 -1.087 -6.720 1.00 0.00 O ATOM 448 CB VAL A 589 -12.495 -1.228 -3.694 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.038 -0.814 -3.550 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.135 -1.436 -2.330 1.00 0.00 C ATOM 0 H VAL A 589 -14.976 -1.273 -3.946 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.109 0.807 -4.071 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.528 -2.175 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.501 -1.568 -2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.587 -0.722 -4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -10.981 0.145 -3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.568 -2.181 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.136 -0.494 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.161 -1.782 -2.458 1.00 0.00 H new ATOM 460 N THR A 590 -11.975 0.810 -6.296 1.00 0.00 N ATOM 461 CA THR A 590 -11.426 0.912 -7.643 1.00 0.00 C ATOM 462 C THR A 590 -9.916 0.699 -7.640 1.00 0.00 C ATOM 463 O THR A 590 -9.334 0.312 -8.654 1.00 0.00 O ATOM 464 CB THR A 590 -11.738 2.281 -8.278 1.00 0.00 C ATOM 465 OG1 THR A 590 -10.931 2.473 -9.447 1.00 0.00 O ATOM 466 CG2 THR A 590 -11.481 3.409 -7.291 1.00 0.00 C ATOM 0 H THR A 590 -11.690 1.560 -5.666 1.00 0.00 H new ATOM 0 HA THR A 590 -11.900 0.129 -8.235 1.00 0.00 H new ATOM 0 HB THR A 590 -12.792 2.295 -8.555 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.136 3.344 -9.846 1.00 0.00 H new ATOM 0 HG21 THR A 590 -11.709 4.365 -7.763 1.00 0.00 H new ATOM 0 HG22 THR A 590 -12.115 3.277 -6.415 1.00 0.00 H new ATOM 0 HG23 THR A 590 -10.434 3.395 -6.987 1.00 0.00 H new ATOM 474 N GLY A 591 -9.286 0.953 -6.496 1.00 0.00 N ATOM 475 CA GLY A 591 -7.848 0.782 -6.388 1.00 0.00 C ATOM 476 C GLY A 591 -7.350 0.908 -4.961 1.00 0.00 C ATOM 477 O GLY A 591 -8.139 1.091 -4.034 1.00 0.00 O ATOM 0 H GLY A 591 -9.745 1.274 -5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.572 -0.197 -6.780 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.350 1.526 -7.010 1.00 0.00 H new ATOM 481 N TYR A 592 -6.035 0.807 -4.788 1.00 0.00 N ATOM 482 CA TYR A 592 -5.423 0.907 -3.468 1.00 0.00 C ATOM 483 C TYR A 592 -4.322 1.963 -3.459 1.00 0.00 C ATOM 484 O TYR A 592 -3.478 2.002 -4.355 1.00 0.00 O ATOM 485 CB TYR A 592 -4.843 -0.446 -3.050 1.00 0.00 C ATOM 486 CG TYR A 592 -5.879 -1.538 -2.908 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.328 -2.243 -4.018 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.406 -1.866 -1.666 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.273 -3.244 -3.893 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.350 -2.866 -1.532 1.00 0.00 C ATOM 491 CZ TYR A 592 -7.780 -3.552 -2.648 1.00 0.00 C ATOM 492 OH TYR A 592 -8.720 -4.549 -2.519 1.00 0.00 O ATOM 0 H TYR A 592 -5.372 0.656 -5.548 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.195 1.202 -2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.101 -0.756 -3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.320 -0.329 -2.101 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -5.932 -2.005 -4.994 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -6.072 -1.330 -0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -7.613 -3.782 -4.766 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -7.749 -3.109 -0.558 1.00 0.00 H new ATOM 0 HH TYR A 592 -8.581 -5.222 -3.218 1.00 0.00 H new ATOM 502 N ASP A 593 -4.332 2.814 -2.438 1.00 0.00 N ATOM 503 CA ASP A 593 -3.330 3.867 -2.307 1.00 0.00 C ATOM 504 C ASP A 593 -2.366 3.548 -1.171 1.00 0.00 C ATOM 505 O ASP A 593 -2.771 3.456 -0.012 1.00 0.00 O ATOM 506 CB ASP A 593 -3.999 5.222 -2.057 1.00 0.00 C ATOM 507 CG ASP A 593 -5.468 5.093 -1.705 1.00 0.00 C ATOM 508 OD1 ASP A 593 -5.786 4.366 -0.742 1.00 0.00 O ATOM 509 OD2 ASP A 593 -6.302 5.716 -2.395 1.00 0.00 O ATOM 0 H ASP A 593 -5.023 2.795 -1.688 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.770 3.920 -3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -3.479 5.735 -1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.896 5.843 -2.947 1.00 0.00 H new ATOM 514 N VAL A 594 -1.092 3.376 -1.506 1.00 0.00 N ATOM 515 CA VAL A 594 -0.083 3.061 -0.502 1.00 0.00 C ATOM 516 C VAL A 594 0.696 4.310 -0.096 1.00 0.00 C ATOM 517 O VAL A 594 1.139 5.082 -0.945 1.00 0.00 O ATOM 518 CB VAL A 594 0.887 1.961 -0.997 1.00 0.00 C ATOM 519 CG1 VAL A 594 0.881 1.879 -2.512 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.302 2.180 -0.473 1.00 0.00 C ATOM 0 H VAL A 594 -0.735 3.449 -2.459 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.608 2.680 0.374 1.00 0.00 H new ATOM 0 HB VAL A 594 0.534 1.010 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.570 1.099 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 594 -0.125 1.643 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.193 2.836 -2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 594 2.953 1.388 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.673 3.145 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.293 2.164 0.617 1.00 0.00 H new ATOM 530 N TYR A 595 0.850 4.501 1.213 1.00 0.00 N ATOM 531 CA TYR A 595 1.566 5.655 1.746 1.00 0.00 C ATOM 532 C TYR A 595 2.995 5.284 2.128 1.00 0.00 C ATOM 533 O TYR A 595 3.359 4.108 2.155 1.00 0.00 O ATOM 534 CB TYR A 595 0.845 6.213 2.977 1.00 0.00 C ATOM 535 CG TYR A 595 -0.540 6.754 2.696 1.00 0.00 C ATOM 536 CD1 TYR A 595 -1.648 5.914 2.690 1.00 0.00 C ATOM 537 CD2 TYR A 595 -0.741 8.106 2.449 1.00 0.00 C ATOM 538 CE1 TYR A 595 -2.916 6.407 2.444 1.00 0.00 C ATOM 539 CE2 TYR A 595 -2.006 8.607 2.203 1.00 0.00 C ATOM 540 CZ TYR A 595 -3.089 7.755 2.201 1.00 0.00 C ATOM 541 OH TYR A 595 -4.350 8.251 1.957 1.00 0.00 O ATOM 0 H TYR A 595 0.486 3.868 1.925 1.00 0.00 H new ATOM 0 HA TYR A 595 1.594 6.415 0.965 1.00 0.00 H new ATOM 0 HB2 TYR A 595 0.769 5.426 3.727 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.452 7.008 3.410 1.00 0.00 H new ATOM 0 HD1 TYR A 595 -1.516 4.859 2.881 1.00 0.00 H new ATOM 0 HD2 TYR A 595 0.105 8.777 2.449 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -3.766 5.741 2.442 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -2.145 9.661 2.013 1.00 0.00 H new ATOM 0 HH TYR A 595 -4.298 9.218 1.807 1.00 0.00 H new ATOM 551 N ASN A 596 3.795 6.299 2.437 1.00 0.00 N ATOM 552 CA ASN A 596 5.183 6.096 2.832 1.00 0.00 C ATOM 553 C ASN A 596 5.555 7.045 3.966 1.00 0.00 C ATOM 554 O ASN A 596 6.080 8.134 3.733 1.00 0.00 O ATOM 555 CB ASN A 596 6.117 6.309 1.640 1.00 0.00 C ATOM 556 CG ASN A 596 7.580 6.194 2.023 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.014 5.175 2.562 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.347 7.242 1.748 1.00 0.00 N ATOM 0 H ASN A 596 3.503 7.276 2.421 1.00 0.00 H new ATOM 0 HA ASN A 596 5.294 5.070 3.182 1.00 0.00 H new ATOM 0 HB2 ASN A 596 5.888 5.575 0.867 1.00 0.00 H new ATOM 0 HB3 ASN A 596 5.933 7.293 1.210 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.339 7.224 1.984 1.00 0.00 H new ATOM 0 HD22 ASN A 596 7.944 8.065 1.300 1.00 0.00 H new ATOM 565 N GLY A 597 5.267 6.628 5.195 1.00 0.00 N ATOM 566 CA GLY A 597 5.564 7.457 6.347 1.00 0.00 C ATOM 567 C GLY A 597 4.417 8.386 6.688 1.00 0.00 C ATOM 568 O GLY A 597 3.774 8.235 7.728 1.00 0.00 O ATOM 0 H GLY A 597 4.833 5.731 5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 597 5.783 6.821 7.205 1.00 0.00 H new ATOM 0 HA3 GLY A 597 6.460 8.045 6.149 1.00 0.00 H new ATOM 572 N THR A 598 4.157 9.346 5.805 1.00 0.00 N ATOM 573 CA THR A 598 3.078 10.305 6.004 1.00 0.00 C ATOM 574 C THR A 598 2.600 10.875 4.671 1.00 0.00 C ATOM 575 O THR A 598 1.588 11.572 4.610 1.00 0.00 O ATOM 576 CB THR A 598 3.515 11.466 6.915 1.00 0.00 C ATOM 577 OG1 THR A 598 4.900 11.766 6.696 1.00 0.00 O ATOM 578 CG2 THR A 598 3.293 11.122 8.380 1.00 0.00 C ATOM 0 H THR A 598 4.682 9.480 4.941 1.00 0.00 H new ATOM 0 HA THR A 598 2.261 9.766 6.484 1.00 0.00 H new ATOM 0 HB THR A 598 2.909 12.338 6.668 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.170 12.507 7.278 1.00 0.00 H new ATOM 0 HG21 THR A 598 3.610 11.959 9.002 1.00 0.00 H new ATOM 0 HG22 THR A 598 2.235 10.923 8.551 1.00 0.00 H new ATOM 0 HG23 THR A 598 3.875 10.237 8.638 1.00 0.00 H new ATOM 586 N ALA A 599 3.336 10.570 3.605 1.00 0.00 N ATOM 587 CA ALA A 599 2.989 11.051 2.273 1.00 0.00 C ATOM 588 C ALA A 599 2.711 9.887 1.325 1.00 0.00 C ATOM 589 O ALA A 599 3.439 8.894 1.317 1.00 0.00 O ATOM 590 CB ALA A 599 4.100 11.929 1.722 1.00 0.00 C ATOM 0 H ALA A 599 4.176 9.992 3.639 1.00 0.00 H new ATOM 0 HA ALA A 599 2.079 11.646 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 599 3.826 12.280 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 599 4.248 12.784 2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 599 5.023 11.353 1.662 1.00 0.00 H new ATOM 596 N LEU A 600 1.653 10.019 0.532 1.00 0.00 N ATOM 597 CA LEU A 600 1.272 8.981 -0.420 1.00 0.00 C ATOM 598 C LEU A 600 2.394 8.701 -1.415 1.00 0.00 C ATOM 599 O LEU A 600 2.978 9.624 -1.983 1.00 0.00 O ATOM 600 CB LEU A 600 0.004 9.394 -1.171 1.00 0.00 C ATOM 601 CG LEU A 600 -0.548 8.344 -2.137 1.00 0.00 C ATOM 602 CD1 LEU A 600 -1.999 8.027 -1.808 1.00 0.00 C ATOM 603 CD2 LEU A 600 -0.418 8.825 -3.575 1.00 0.00 C ATOM 0 H LEU A 600 1.043 10.836 0.530 1.00 0.00 H new ATOM 0 HA LEU A 600 1.079 8.067 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.769 9.637 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.212 10.306 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 600 0.036 7.430 -2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -2.375 7.278 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -2.066 7.641 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 600 -2.598 8.934 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -0.815 8.067 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -0.978 9.752 -3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 600 0.632 9.002 -3.806 1.00 0.00 H new ATOM 615 N ALA A 601 2.685 7.419 -1.623 1.00 0.00 N ATOM 616 CA ALA A 601 3.733 7.012 -2.552 1.00 0.00 C ATOM 617 C ALA A 601 3.138 6.609 -3.902 1.00 0.00 C ATOM 618 O ALA A 601 2.716 7.466 -4.679 1.00 0.00 O ATOM 619 CB ALA A 601 4.554 5.877 -1.957 1.00 0.00 C ATOM 0 H ALA A 601 2.209 6.645 -1.160 1.00 0.00 H new ATOM 0 HA ALA A 601 4.394 7.862 -2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.333 5.583 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 601 5.013 6.209 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 601 3.905 5.024 -1.757 1.00 0.00 H new ATOM 625 N THR A 602 3.101 5.306 -4.182 1.00 0.00 N ATOM 626 CA THR A 602 2.552 4.817 -5.442 1.00 0.00 C ATOM 627 C THR A 602 1.059 4.520 -5.324 1.00 0.00 C ATOM 628 O THR A 602 0.486 4.570 -4.232 1.00 0.00 O ATOM 629 CB THR A 602 3.288 3.556 -5.939 1.00 0.00 C ATOM 630 OG1 THR A 602 3.053 3.373 -7.339 1.00 0.00 O ATOM 631 CG2 THR A 602 2.840 2.315 -5.181 1.00 0.00 C ATOM 0 H THR A 602 3.443 4.576 -3.557 1.00 0.00 H new ATOM 0 HA THR A 602 2.698 5.614 -6.171 1.00 0.00 H new ATOM 0 HB THR A 602 4.354 3.699 -5.759 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.719 2.754 -7.704 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.379 1.445 -5.557 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.051 2.441 -4.119 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.769 2.168 -5.324 1.00 0.00 H new ATOM 639 N THR A 603 0.441 4.204 -6.457 1.00 0.00 N ATOM 640 CA THR A 603 -0.981 3.893 -6.498 1.00 0.00 C ATOM 641 C THR A 603 -1.247 2.720 -7.429 1.00 0.00 C ATOM 642 O THR A 603 -0.822 2.724 -8.586 1.00 0.00 O ATOM 643 CB THR A 603 -1.812 5.103 -6.964 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.339 6.297 -6.329 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.286 4.904 -6.644 1.00 0.00 C ATOM 0 H THR A 603 0.907 4.157 -7.363 1.00 0.00 H new ATOM 0 HA THR A 603 -1.281 3.632 -5.483 1.00 0.00 H new ATOM 0 HB THR A 603 -1.700 5.197 -8.044 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.872 7.062 -6.632 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.852 5.772 -6.983 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.651 4.011 -7.152 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.412 4.786 -5.568 1.00 0.00 H new ATOM 653 N VAL A 604 -1.938 1.711 -6.917 1.00 0.00 N ATOM 654 CA VAL A 604 -2.247 0.525 -7.701 1.00 0.00 C ATOM 655 C VAL A 604 -3.743 0.227 -7.692 1.00 0.00 C ATOM 656 O VAL A 604 -4.545 1.050 -7.251 1.00 0.00 O ATOM 657 CB VAL A 604 -1.477 -0.696 -7.169 1.00 0.00 C ATOM 658 CG1 VAL A 604 0.002 -0.566 -7.491 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.688 -0.847 -5.668 1.00 0.00 C ATOM 0 H VAL A 604 -2.295 1.691 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 604 -1.938 0.725 -8.727 1.00 0.00 H new ATOM 0 HB VAL A 604 -1.861 -1.591 -7.659 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.535 -1.436 -7.109 1.00 0.00 H new ATOM 0 HG12 VAL A 604 0.135 -0.504 -8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.398 0.336 -7.024 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.136 -1.716 -5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.329 0.047 -5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.750 -0.981 -5.461 1.00 0.00 H new ATOM 669 N THR A 605 -4.111 -0.951 -8.185 1.00 0.00 N ATOM 670 CA THR A 605 -5.512 -1.353 -8.235 1.00 0.00 C ATOM 671 C THR A 605 -5.684 -2.808 -7.811 1.00 0.00 C ATOM 672 O THR A 605 -6.793 -3.342 -7.821 1.00 0.00 O ATOM 673 CB THR A 605 -6.097 -1.174 -9.649 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.161 -1.636 -10.629 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.437 0.285 -9.914 1.00 0.00 C ATOM 0 H THR A 605 -3.460 -1.643 -8.555 1.00 0.00 H new ATOM 0 HA THR A 605 -6.049 -0.708 -7.540 1.00 0.00 H new ATOM 0 HB THR A 605 -7.012 -1.762 -9.716 1.00 0.00 H new ATOM 0 HG1 THR A 605 -5.541 -1.520 -11.525 1.00 0.00 H new ATOM 0 HG21 THR A 605 -6.848 0.386 -10.918 1.00 0.00 H new ATOM 0 HG22 THR A 605 -7.172 0.626 -9.185 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.534 0.890 -9.829 1.00 0.00 H new ATOM 683 N GLY A 606 -4.578 -3.443 -7.436 1.00 0.00 N ATOM 684 CA GLY A 606 -4.628 -4.831 -7.013 1.00 0.00 C ATOM 685 C GLY A 606 -4.000 -5.043 -5.650 1.00 0.00 C ATOM 686 O GLY A 606 -4.060 -4.165 -4.789 1.00 0.00 O ATOM 0 H GLY A 606 -3.649 -3.022 -7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.666 -5.163 -6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.113 -5.451 -7.747 1.00 0.00 H new ATOM 690 N THR A 607 -3.398 -6.210 -5.454 1.00 0.00 N ATOM 691 CA THR A 607 -2.757 -6.535 -4.187 1.00 0.00 C ATOM 692 C THR A 607 -1.238 -6.458 -4.305 1.00 0.00 C ATOM 693 O THR A 607 -0.513 -7.119 -3.561 1.00 0.00 O ATOM 694 CB THR A 607 -3.154 -7.940 -3.698 1.00 0.00 C ATOM 695 OG1 THR A 607 -2.740 -8.926 -4.652 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.657 -8.035 -3.486 1.00 0.00 C ATOM 0 H THR A 607 -3.341 -6.947 -6.157 1.00 0.00 H new ATOM 0 HA THR A 607 -3.100 -5.798 -3.461 1.00 0.00 H new ATOM 0 HB THR A 607 -2.656 -8.123 -2.746 1.00 0.00 H new ATOM 0 HG1 THR A 607 -2.995 -9.817 -4.333 1.00 0.00 H new ATOM 0 HG21 THR A 607 -4.913 -9.037 -3.141 1.00 0.00 H new ATOM 0 HG22 THR A 607 -4.966 -7.304 -2.739 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.171 -7.833 -4.426 1.00 0.00 H new ATOM 704 N THR A 608 -0.763 -5.648 -5.246 1.00 0.00 N ATOM 705 CA THR A 608 0.671 -5.487 -5.460 1.00 0.00 C ATOM 706 C THR A 608 1.004 -4.065 -5.904 1.00 0.00 C ATOM 707 O THR A 608 0.427 -3.553 -6.863 1.00 0.00 O ATOM 708 CB THR A 608 1.198 -6.482 -6.511 1.00 0.00 C ATOM 709 OG1 THR A 608 0.152 -6.832 -7.425 1.00 0.00 O ATOM 710 CG2 THR A 608 1.736 -7.737 -5.842 1.00 0.00 C ATOM 0 H THR A 608 -1.349 -5.094 -5.871 1.00 0.00 H new ATOM 0 HA THR A 608 1.159 -5.689 -4.506 1.00 0.00 H new ATOM 0 HB THR A 608 2.010 -6.003 -7.058 1.00 0.00 H new ATOM 0 HG1 THR A 608 0.497 -7.463 -8.090 1.00 0.00 H new ATOM 0 HG21 THR A 608 2.103 -8.426 -6.603 1.00 0.00 H new ATOM 0 HG22 THR A 608 2.552 -7.470 -5.170 1.00 0.00 H new ATOM 0 HG23 THR A 608 0.939 -8.216 -5.273 1.00 0.00 H new ATOM 718 N ALA A 609 1.940 -3.434 -5.200 1.00 0.00 N ATOM 719 CA ALA A 609 2.354 -2.071 -5.517 1.00 0.00 C ATOM 720 C ALA A 609 3.839 -2.012 -5.857 1.00 0.00 C ATOM 721 O ALA A 609 4.658 -2.681 -5.226 1.00 0.00 O ATOM 722 CB ALA A 609 2.041 -1.143 -4.354 1.00 0.00 C ATOM 0 H ALA A 609 2.427 -3.846 -4.404 1.00 0.00 H new ATOM 0 HA ALA A 609 1.795 -1.742 -6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.355 -0.129 -4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.969 -1.153 -4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.575 -1.480 -3.466 1.00 0.00 H new ATOM 728 N THR A 610 4.180 -1.204 -6.856 1.00 0.00 N ATOM 729 CA THR A 610 5.568 -1.053 -7.278 1.00 0.00 C ATOM 730 C THR A 610 6.049 0.378 -7.065 1.00 0.00 C ATOM 731 O THR A 610 5.552 1.309 -7.697 1.00 0.00 O ATOM 732 CB THR A 610 5.747 -1.427 -8.763 1.00 0.00 C ATOM 733 OG1 THR A 610 4.986 -2.601 -9.070 1.00 0.00 O ATOM 734 CG2 THR A 610 7.213 -1.671 -9.088 1.00 0.00 C ATOM 0 H THR A 610 3.514 -0.644 -7.388 1.00 0.00 H new ATOM 0 HA THR A 610 6.163 -1.731 -6.667 1.00 0.00 H new ATOM 0 HB THR A 610 5.390 -0.594 -9.368 1.00 0.00 H new ATOM 0 HG1 THR A 610 5.105 -2.830 -10.016 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.313 -1.933 -10.141 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.786 -0.767 -8.883 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.591 -2.488 -8.473 1.00 0.00 H new ATOM 742 N ILE A 611 7.019 0.546 -6.171 1.00 0.00 N ATOM 743 CA ILE A 611 7.563 1.867 -5.878 1.00 0.00 C ATOM 744 C ILE A 611 9.020 1.972 -6.314 1.00 0.00 C ATOM 745 O ILE A 611 9.902 1.350 -5.721 1.00 0.00 O ATOM 746 CB ILE A 611 7.459 2.205 -4.377 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.038 1.953 -3.870 1.00 0.00 C ATOM 748 CG2 ILE A 611 7.866 3.651 -4.131 1.00 0.00 C ATOM 749 CD1 ILE A 611 5.986 1.252 -2.530 1.00 0.00 C ATOM 0 H ILE A 611 7.443 -0.214 -5.639 1.00 0.00 H new ATOM 0 HA ILE A 611 6.966 2.583 -6.442 1.00 0.00 H new ATOM 0 HB ILE A 611 8.140 1.556 -3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 611 5.515 2.906 -3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.500 1.354 -4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 611 7.788 3.875 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 611 8.895 3.800 -4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.207 4.315 -4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 611 4.947 1.107 -2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.480 0.283 -2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.494 1.860 -1.781 1.00 0.00 H new ATOM 761 N SER A 612 9.264 2.765 -7.353 1.00 0.00 N ATOM 762 CA SER A 612 10.615 2.958 -7.869 1.00 0.00 C ATOM 763 C SER A 612 11.088 4.387 -7.625 1.00 0.00 C ATOM 764 O SER A 612 10.277 5.295 -7.434 1.00 0.00 O ATOM 765 CB SER A 612 10.664 2.639 -9.364 1.00 0.00 C ATOM 766 OG SER A 612 11.250 1.369 -9.598 1.00 0.00 O ATOM 0 H SER A 612 8.543 3.284 -7.854 1.00 0.00 H new ATOM 0 HA SER A 612 11.281 2.277 -7.339 1.00 0.00 H new ATOM 0 HB2 SER A 612 9.655 2.658 -9.776 1.00 0.00 H new ATOM 0 HB3 SER A 612 11.236 3.408 -9.884 1.00 0.00 H new ATOM 0 HG SER A 612 11.267 1.189 -10.561 1.00 0.00 H new ATOM 772 N GLY A 613 12.403 4.580 -7.632 1.00 0.00 N ATOM 773 CA GLY A 613 12.961 5.901 -7.411 1.00 0.00 C ATOM 774 C GLY A 613 13.330 6.143 -5.960 1.00 0.00 C ATOM 775 O GLY A 613 13.295 7.279 -5.487 1.00 0.00 O ATOM 0 H GLY A 613 13.092 3.844 -7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 613 13.847 6.026 -8.033 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.240 6.654 -7.729 1.00 0.00 H new ATOM 779 N LEU A 614 13.687 5.073 -5.254 1.00 0.00 N ATOM 780 CA LEU A 614 14.066 5.177 -3.849 1.00 0.00 C ATOM 781 C LEU A 614 15.571 5.383 -3.704 1.00 0.00 C ATOM 782 O LEU A 614 16.282 5.551 -4.695 1.00 0.00 O ATOM 783 CB LEU A 614 13.639 3.920 -3.087 1.00 0.00 C ATOM 784 CG LEU A 614 12.159 3.563 -3.203 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.965 2.057 -3.109 1.00 0.00 C ATOM 786 CD2 LEU A 614 11.367 4.273 -2.121 1.00 0.00 C ATOM 0 H LEU A 614 13.722 4.126 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 614 13.555 6.042 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 614 14.229 3.078 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 614 13.883 4.052 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 614 11.793 3.892 -4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.904 1.821 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 614 12.511 1.569 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 614 12.341 1.701 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.313 4.012 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 614 11.734 3.967 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 614 11.485 5.351 -2.232 1.00 0.00 H new ATOM 798 N ALA A 615 16.048 5.366 -2.463 1.00 0.00 N ATOM 799 CA ALA A 615 17.469 5.549 -2.186 1.00 0.00 C ATOM 800 C ALA A 615 18.030 4.370 -1.400 1.00 0.00 C ATOM 801 O ALA A 615 17.570 4.072 -0.297 1.00 0.00 O ATOM 802 CB ALA A 615 17.696 6.849 -1.428 1.00 0.00 C ATOM 0 H ALA A 615 15.471 5.227 -1.633 1.00 0.00 H new ATOM 0 HA ALA A 615 17.997 5.601 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 615 18.760 6.973 -1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 615 17.340 7.687 -2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.151 6.820 -0.485 1.00 0.00 H new ATOM 808 N ALA A 616 19.023 3.698 -1.976 1.00 0.00 N ATOM 809 CA ALA A 616 19.646 2.546 -1.332 1.00 0.00 C ATOM 810 C ALA A 616 20.220 2.912 0.033 1.00 0.00 C ATOM 811 O ALA A 616 20.470 4.083 0.320 1.00 0.00 O ATOM 812 CB ALA A 616 20.735 1.970 -2.225 1.00 0.00 C ATOM 0 H ALA A 616 19.414 3.932 -2.889 1.00 0.00 H new ATOM 0 HA ALA A 616 18.875 1.791 -1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.192 1.111 -1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.299 1.656 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.495 2.730 -2.409 1.00 0.00 H new ATOM 818 N ASP A 617 20.427 1.896 0.869 1.00 0.00 N ATOM 819 CA ASP A 617 20.975 2.093 2.208 1.00 0.00 C ATOM 820 C ASP A 617 20.118 3.063 3.017 1.00 0.00 C ATOM 821 O ASP A 617 20.637 3.869 3.791 1.00 0.00 O ATOM 822 CB ASP A 617 22.413 2.612 2.125 1.00 0.00 C ATOM 823 CG ASP A 617 23.431 1.490 2.042 1.00 0.00 C ATOM 824 OD1 ASP A 617 23.162 0.403 2.596 1.00 0.00 O ATOM 825 OD2 ASP A 617 24.496 1.699 1.424 1.00 0.00 O ATOM 0 H ASP A 617 20.222 0.923 0.640 1.00 0.00 H new ATOM 0 HA ASP A 617 20.972 1.128 2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.514 3.255 1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.625 3.227 3.000 1.00 0.00 H new ATOM 830 N THR A 618 18.804 2.978 2.835 1.00 0.00 N ATOM 831 CA THR A 618 17.877 3.847 3.549 1.00 0.00 C ATOM 832 C THR A 618 16.632 3.084 3.990 1.00 0.00 C ATOM 833 O THR A 618 16.176 2.171 3.302 1.00 0.00 O ATOM 834 CB THR A 618 17.449 5.047 2.682 1.00 0.00 C ATOM 835 OG1 THR A 618 18.563 5.519 1.916 1.00 0.00 O ATOM 836 CG2 THR A 618 16.909 6.176 3.546 1.00 0.00 C ATOM 0 H THR A 618 18.358 2.316 2.199 1.00 0.00 H new ATOM 0 HA THR A 618 18.405 4.213 4.429 1.00 0.00 H new ATOM 0 HB THR A 618 16.658 4.716 2.009 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.591 5.050 1.056 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.614 7.011 2.911 1.00 0.00 H new ATOM 0 HG22 THR A 618 16.044 5.823 4.107 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.682 6.504 4.241 1.00 0.00 H new ATOM 844 N SER A 619 16.084 3.468 5.139 1.00 0.00 N ATOM 845 CA SER A 619 14.888 2.823 5.670 1.00 0.00 C ATOM 846 C SER A 619 13.631 3.513 5.153 1.00 0.00 C ATOM 847 O SER A 619 13.580 4.741 5.064 1.00 0.00 O ATOM 848 CB SER A 619 14.905 2.847 7.200 1.00 0.00 C ATOM 849 OG SER A 619 13.670 2.401 7.732 1.00 0.00 O ATOM 0 H SER A 619 16.449 4.223 5.720 1.00 0.00 H new ATOM 0 HA SER A 619 14.881 1.787 5.332 1.00 0.00 H new ATOM 0 HB2 SER A 619 15.712 2.214 7.568 1.00 0.00 H new ATOM 0 HB3 SER A 619 15.110 3.859 7.548 1.00 0.00 H new ATOM 0 HG SER A 619 13.708 2.424 8.711 1.00 0.00 H new ATOM 855 N TYR A 620 12.620 2.721 4.809 1.00 0.00 N ATOM 856 CA TYR A 620 11.367 3.265 4.295 1.00 0.00 C ATOM 857 C TYR A 620 10.166 2.509 4.853 1.00 0.00 C ATOM 858 O TYR A 620 10.073 1.288 4.726 1.00 0.00 O ATOM 859 CB TYR A 620 11.348 3.207 2.766 1.00 0.00 C ATOM 860 CG TYR A 620 12.239 4.236 2.104 1.00 0.00 C ATOM 861 CD1 TYR A 620 12.026 5.594 2.304 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.290 3.850 1.282 1.00 0.00 C ATOM 863 CE1 TYR A 620 12.838 6.539 1.705 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.106 4.789 0.680 1.00 0.00 C ATOM 865 CZ TYR A 620 13.874 6.124 0.878 1.00 0.00 C ATOM 866 OH TYR A 620 14.685 7.069 0.295 1.00 0.00 O ATOM 0 H TYR A 620 12.643 1.703 4.876 1.00 0.00 H new ATOM 0 HA TYR A 620 11.300 4.304 4.617 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.658 2.212 2.446 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.325 3.349 2.419 1.00 0.00 H new ATOM 0 HD1 TYR A 620 11.213 5.917 2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.472 2.799 1.111 1.00 0.00 H new ATOM 0 HE1 TYR A 620 12.668 7.591 1.879 1.00 0.00 H new ATOM 0 HE2 TYR A 620 14.926 4.470 0.054 1.00 0.00 H new ATOM 0 HH TYR A 620 14.740 7.856 0.876 1.00 0.00 H new ATOM 876 N THR A 621 9.241 3.247 5.459 1.00 0.00 N ATOM 877 CA THR A 621 8.035 2.655 6.024 1.00 0.00 C ATOM 878 C THR A 621 6.848 2.871 5.094 1.00 0.00 C ATOM 879 O THR A 621 6.534 4.005 4.729 1.00 0.00 O ATOM 880 CB THR A 621 7.706 3.250 7.406 1.00 0.00 C ATOM 881 OG1 THR A 621 8.417 4.480 7.592 1.00 0.00 O ATOM 882 CG2 THR A 621 8.070 2.275 8.515 1.00 0.00 C ATOM 0 H THR A 621 9.305 4.259 5.571 1.00 0.00 H new ATOM 0 HA THR A 621 8.224 1.588 6.139 1.00 0.00 H new ATOM 0 HB THR A 621 6.634 3.441 7.449 1.00 0.00 H new ATOM 0 HG1 THR A 621 8.201 4.853 8.472 1.00 0.00 H new ATOM 0 HG21 THR A 621 7.829 2.717 9.482 1.00 0.00 H new ATOM 0 HG22 THR A 621 7.505 1.351 8.387 1.00 0.00 H new ATOM 0 HG23 THR A 621 9.137 2.057 8.472 1.00 0.00 H new ATOM 890 N PHE A 622 6.198 1.781 4.701 1.00 0.00 N ATOM 891 CA PHE A 622 5.057 1.865 3.799 1.00 0.00 C ATOM 892 C PHE A 622 3.769 1.394 4.468 1.00 0.00 C ATOM 893 O PHE A 622 3.789 0.809 5.550 1.00 0.00 O ATOM 894 CB PHE A 622 5.314 1.032 2.541 1.00 0.00 C ATOM 895 CG PHE A 622 6.411 1.570 1.668 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.256 2.773 0.999 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.595 0.868 1.511 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.264 3.267 0.190 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.605 1.357 0.706 1.00 0.00 C ATOM 900 CZ PHE A 622 8.439 2.558 0.043 1.00 0.00 C ATOM 0 H PHE A 622 6.441 0.834 4.991 1.00 0.00 H new ATOM 0 HA PHE A 622 4.934 2.913 3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.565 0.013 2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.394 0.977 1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.338 3.331 1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.730 -0.073 2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.131 4.206 -0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.524 0.801 0.595 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.227 2.941 -0.589 1.00 0.00 H new ATOM 910 N THR A 623 2.656 1.651 3.793 1.00 0.00 N ATOM 911 CA THR A 623 1.337 1.262 4.275 1.00 0.00 C ATOM 912 C THR A 623 0.359 1.219 3.108 1.00 0.00 C ATOM 913 O THR A 623 0.612 1.821 2.068 1.00 0.00 O ATOM 914 CB THR A 623 0.809 2.235 5.344 1.00 0.00 C ATOM 915 OG1 THR A 623 1.432 3.516 5.194 1.00 0.00 O ATOM 916 CG2 THR A 623 1.073 1.699 6.743 1.00 0.00 C ATOM 0 H THR A 623 2.642 2.135 2.895 1.00 0.00 H new ATOM 0 HA THR A 623 1.428 0.276 4.730 1.00 0.00 H new ATOM 0 HB THR A 623 -0.268 2.337 5.208 1.00 0.00 H new ATOM 0 HG1 THR A 623 1.089 4.129 5.877 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.691 2.404 7.481 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.572 0.739 6.865 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.146 1.569 6.887 1.00 0.00 H new ATOM 924 N VAL A 624 -0.746 0.505 3.270 1.00 0.00 N ATOM 925 CA VAL A 624 -1.731 0.401 2.200 1.00 0.00 C ATOM 926 C VAL A 624 -3.099 0.911 2.634 1.00 0.00 C ATOM 927 O VAL A 624 -3.471 0.818 3.803 1.00 0.00 O ATOM 928 CB VAL A 624 -1.870 -1.045 1.688 1.00 0.00 C ATOM 929 CG1 VAL A 624 -1.034 -1.243 0.434 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.471 -2.041 2.766 1.00 0.00 C ATOM 0 H VAL A 624 -0.982 -0.006 4.121 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.362 1.030 1.390 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.916 -1.223 1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.142 -2.269 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.374 -0.557 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 624 0.014 -1.045 0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.577 -3.055 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.434 -1.869 3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -2.115 -1.913 3.636 1.00 0.00 H new ATOM 940 N LYS A 625 -3.836 1.455 1.672 1.00 0.00 N ATOM 941 CA LYS A 625 -5.165 1.995 1.926 1.00 0.00 C ATOM 942 C LYS A 625 -6.113 1.656 0.779 1.00 0.00 C ATOM 943 O LYS A 625 -5.675 1.379 -0.337 1.00 0.00 O ATOM 944 CB LYS A 625 -5.079 3.503 2.120 1.00 0.00 C ATOM 945 CG LYS A 625 -4.901 3.903 3.571 1.00 0.00 C ATOM 946 CD LYS A 625 -6.021 4.815 4.022 1.00 0.00 C ATOM 947 CE LYS A 625 -5.725 5.440 5.374 1.00 0.00 C ATOM 948 NZ LYS A 625 -6.428 6.741 5.548 1.00 0.00 N ATOM 0 H LYS A 625 -3.532 1.534 0.702 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.561 1.542 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.245 3.892 1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -5.985 3.967 1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.878 3.012 4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -3.943 4.407 3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.170 5.601 3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -6.951 4.249 4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -6.028 4.754 6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -4.650 5.591 5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -6.161 7.160 6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -6.159 7.387 4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -7.456 6.586 5.526 1.00 0.00 H new ATOM 962 N ALA A 626 -7.412 1.674 1.061 1.00 0.00 N ATOM 963 CA ALA A 626 -8.416 1.361 0.050 1.00 0.00 C ATOM 964 C ALA A 626 -9.218 2.597 -0.339 1.00 0.00 C ATOM 965 O ALA A 626 -9.551 3.426 0.508 1.00 0.00 O ATOM 966 CB ALA A 626 -9.344 0.266 0.553 1.00 0.00 C ATOM 0 H ALA A 626 -7.794 1.902 1.979 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.897 1.007 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -10.089 0.041 -0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.764 -0.631 0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.845 0.602 1.461 1.00 0.00 H new ATOM 972 N LYS A 627 -9.527 2.713 -1.627 1.00 0.00 N ATOM 973 CA LYS A 627 -10.292 3.848 -2.133 1.00 0.00 C ATOM 974 C LYS A 627 -11.441 3.375 -3.018 1.00 0.00 C ATOM 975 O LYS A 627 -11.375 2.300 -3.615 1.00 0.00 O ATOM 976 CB LYS A 627 -9.383 4.796 -2.916 1.00 0.00 C ATOM 977 CG LYS A 627 -8.756 4.162 -4.148 1.00 0.00 C ATOM 978 CD LYS A 627 -7.920 5.165 -4.927 1.00 0.00 C ATOM 979 CE LYS A 627 -8.584 5.544 -6.241 1.00 0.00 C ATOM 980 NZ LYS A 627 -9.054 6.956 -6.239 1.00 0.00 N ATOM 0 H LYS A 627 -9.259 2.034 -2.340 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.710 4.383 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -9.960 5.669 -3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -8.590 5.152 -2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -8.131 3.321 -3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -9.540 3.762 -4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -7.768 6.060 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -6.935 4.743 -5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -7.879 5.397 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -9.429 4.881 -6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -9.501 7.175 -7.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -9.746 7.090 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -8.244 7.591 -6.089 1.00 0.00 H new ATOM 994 N ASP A 628 -12.493 4.184 -3.097 1.00 0.00 N ATOM 995 CA ASP A 628 -13.657 3.849 -3.909 1.00 0.00 C ATOM 996 C ASP A 628 -13.814 4.830 -5.069 1.00 0.00 C ATOM 997 O ASP A 628 -13.076 5.811 -5.168 1.00 0.00 O ATOM 998 CB ASP A 628 -14.920 3.842 -3.042 1.00 0.00 C ATOM 999 CG ASP A 628 -15.765 5.089 -3.223 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -15.376 6.151 -2.694 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -16.814 5.003 -3.893 1.00 0.00 O ATOM 0 H ASP A 628 -12.563 5.077 -2.608 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.509 2.853 -4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.518 2.965 -3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -14.635 3.751 -1.994 1.00 0.00 H new ATOM 1006 N ALA A 629 -14.781 4.559 -5.940 1.00 0.00 N ATOM 1007 CA ALA A 629 -15.037 5.417 -7.091 1.00 0.00 C ATOM 1008 C ALA A 629 -15.905 6.612 -6.701 1.00 0.00 C ATOM 1009 O ALA A 629 -16.970 6.833 -7.279 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.699 4.620 -8.206 1.00 0.00 C ATOM 0 H ALA A 629 -15.400 3.752 -5.870 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.081 5.798 -7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -15.885 5.273 -9.059 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -15.043 3.804 -8.509 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.645 4.212 -7.849 1.00 0.00 H new ATOM 1016 N ALA A 630 -15.442 7.376 -5.718 1.00 0.00 N ATOM 1017 CA ALA A 630 -16.174 8.547 -5.249 1.00 0.00 C ATOM 1018 C ALA A 630 -15.255 9.509 -4.503 1.00 0.00 C ATOM 1019 O ALA A 630 -15.335 10.724 -4.683 1.00 0.00 O ATOM 1020 CB ALA A 630 -17.331 8.123 -4.357 1.00 0.00 C ATOM 0 H ALA A 630 -14.563 7.205 -5.230 1.00 0.00 H new ATOM 0 HA ALA A 630 -16.571 9.068 -6.120 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -17.869 9.007 -4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -18.009 7.482 -4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -16.946 7.576 -3.496 1.00 0.00 H new ATOM 1026 N GLY A 631 -14.383 8.958 -3.663 1.00 0.00 N ATOM 1027 CA GLY A 631 -13.462 9.782 -2.902 1.00 0.00 C ATOM 1028 C GLY A 631 -13.307 9.307 -1.469 1.00 0.00 C ATOM 1029 O GLY A 631 -12.602 9.930 -0.675 1.00 0.00 O ATOM 0 H GLY A 631 -14.298 7.955 -3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -12.487 9.778 -3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -13.815 10.813 -2.904 1.00 0.00 H new ATOM 1033 N ASN A 632 -13.967 8.202 -1.141 1.00 0.00 N ATOM 1034 CA ASN A 632 -13.902 7.642 0.205 1.00 0.00 C ATOM 1035 C ASN A 632 -12.705 6.708 0.347 1.00 0.00 C ATOM 1036 O ASN A 632 -12.336 6.008 -0.598 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.194 6.891 0.528 1.00 0.00 C ATOM 1038 CG ASN A 632 -16.432 7.695 0.176 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -16.924 7.635 -0.950 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -16.939 8.454 1.141 1.00 0.00 N ATOM 0 H ASN A 632 -14.554 7.676 -1.789 1.00 0.00 H new ATOM 0 HA ASN A 632 -13.783 8.464 0.911 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.209 5.948 -0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.213 6.645 1.590 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -17.770 9.018 0.963 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -16.497 8.473 2.060 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.100 6.703 1.531 1.00 0.00 N ATOM 1048 CA VAL A 633 -10.943 5.857 1.794 1.00 0.00 C ATOM 1049 C VAL A 633 -11.053 5.172 3.151 1.00 0.00 C ATOM 1050 O VAL A 633 -11.640 5.715 4.088 1.00 0.00 O ATOM 1051 CB VAL A 633 -9.634 6.664 1.746 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -9.286 7.036 0.312 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -9.748 7.905 2.614 1.00 0.00 C ATOM 0 H VAL A 633 -12.393 7.276 2.323 1.00 0.00 H new ATOM 0 HA VAL A 633 -10.925 5.100 1.010 1.00 0.00 H new ATOM 0 HB VAL A 633 -8.828 6.043 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -8.357 7.606 0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -9.163 6.129 -0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -10.088 7.640 -0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -8.815 8.466 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -10.564 8.529 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -9.947 7.611 3.645 1.00 0.00 H new ATOM 1063 N SER A 634 -10.483 3.974 3.249 1.00 0.00 N ATOM 1064 CA SER A 634 -10.510 3.209 4.489 1.00 0.00 C ATOM 1065 C SER A 634 -9.336 3.590 5.386 1.00 0.00 C ATOM 1066 O SER A 634 -8.734 4.649 5.211 1.00 0.00 O ATOM 1067 CB SER A 634 -10.474 1.710 4.180 1.00 0.00 C ATOM 1068 OG SER A 634 -11.737 1.112 4.406 1.00 0.00 O ATOM 0 H SER A 634 -9.996 3.512 2.481 1.00 0.00 H new ATOM 0 HA SER A 634 -11.434 3.442 5.018 1.00 0.00 H new ATOM 0 HB2 SER A 634 -10.176 1.557 3.143 1.00 0.00 H new ATOM 0 HB3 SER A 634 -9.722 1.225 4.803 1.00 0.00 H new ATOM 0 HG SER A 634 -11.733 0.658 5.275 1.00 0.00 H new ATOM 1074 N ALA A 635 -9.016 2.726 6.345 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.912 2.979 7.263 1.00 0.00 C ATOM 1076 C ALA A 635 -6.605 2.413 6.716 1.00 0.00 C ATOM 1077 O ALA A 635 -6.601 1.668 5.736 1.00 0.00 O ATOM 1078 CB ALA A 635 -8.217 2.387 8.631 1.00 0.00 C ATOM 0 H ALA A 635 -9.505 1.846 6.506 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.795 4.058 7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.384 2.583 9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -9.123 2.842 9.031 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.362 1.311 8.538 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.496 2.770 7.358 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.183 2.297 6.936 1.00 0.00 C ATOM 1086 C ALA A 636 -3.865 0.940 7.558 1.00 0.00 C ATOM 1087 O ALA A 636 -4.170 0.696 8.725 1.00 0.00 O ATOM 1088 CB ALA A 636 -3.112 3.311 7.311 1.00 0.00 C ATOM 0 H ALA A 636 -5.481 3.385 8.172 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.196 2.180 5.852 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.137 2.945 6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.323 4.261 6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -3.109 3.454 8.392 1.00 0.00 H new ATOM 1094 N SER A 637 -3.249 0.060 6.772 1.00 0.00 N ATOM 1095 CA SER A 637 -2.891 -1.271 7.252 1.00 0.00 C ATOM 1096 C SER A 637 -1.626 -1.216 8.103 1.00 0.00 C ATOM 1097 O SER A 637 -1.117 -0.135 8.405 1.00 0.00 O ATOM 1098 CB SER A 637 -2.690 -2.227 6.073 1.00 0.00 C ATOM 1099 OG SER A 637 -1.313 -2.410 5.790 1.00 0.00 O ATOM 0 H SER A 637 -2.988 0.244 5.803 1.00 0.00 H new ATOM 0 HA SER A 637 -3.709 -1.641 7.871 1.00 0.00 H new ATOM 0 HB2 SER A 637 -3.148 -3.190 6.300 1.00 0.00 H new ATOM 0 HB3 SER A 637 -3.196 -1.833 5.192 1.00 0.00 H new ATOM 0 HG SER A 637 -1.082 -3.358 5.887 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.123 -2.385 8.488 1.00 0.00 N ATOM 1106 CA ASN A 638 0.083 -2.467 9.304 1.00 0.00 C ATOM 1107 C ASN A 638 1.270 -1.833 8.586 1.00 0.00 C ATOM 1108 O ASN A 638 1.295 -1.752 7.358 1.00 0.00 O ATOM 1109 CB ASN A 638 0.391 -3.927 9.647 1.00 0.00 C ATOM 1110 CG ASN A 638 1.231 -4.611 8.586 1.00 0.00 C ATOM 1111 OD1 ASN A 638 2.426 -4.839 8.775 1.00 0.00 O ATOM 1112 ND2 ASN A 638 0.609 -4.942 7.460 1.00 0.00 N ATOM 0 H ASN A 638 -1.532 -3.288 8.248 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.092 -1.915 10.228 1.00 0.00 H new ATOM 0 HB2 ASN A 638 0.914 -3.969 10.602 1.00 0.00 H new ATOM 0 HB3 ASN A 638 -0.545 -4.472 9.772 1.00 0.00 H new ATOM 0 HD21 ASN A 638 1.123 -5.404 6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 638 -0.383 -4.734 7.345 1.00 0.00 H new ATOM 1119 N ALA A 639 2.252 -1.382 9.362 1.00 0.00 N ATOM 1120 CA ALA A 639 3.442 -0.753 8.802 1.00 0.00 C ATOM 1121 C ALA A 639 4.438 -1.800 8.313 1.00 0.00 C ATOM 1122 O ALA A 639 4.457 -2.929 8.803 1.00 0.00 O ATOM 1123 CB ALA A 639 4.092 0.157 9.834 1.00 0.00 C ATOM 0 H ALA A 639 2.246 -1.441 10.380 1.00 0.00 H new ATOM 0 HA ALA A 639 3.137 -0.152 7.945 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.979 0.620 9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 639 3.386 0.932 10.132 1.00 0.00 H new ATOM 0 HB3 ALA A 639 4.377 -0.429 10.708 1.00 0.00 H new ATOM 1129 N VAL A 640 5.265 -1.416 7.345 1.00 0.00 N ATOM 1130 CA VAL A 640 6.264 -2.321 6.790 1.00 0.00 C ATOM 1131 C VAL A 640 7.603 -1.613 6.602 1.00 0.00 C ATOM 1132 O VAL A 640 7.749 -0.762 5.724 1.00 0.00 O ATOM 1133 CB VAL A 640 5.809 -2.906 5.437 1.00 0.00 C ATOM 1134 CG1 VAL A 640 4.808 -4.031 5.649 1.00 0.00 C ATOM 1135 CG2 VAL A 640 5.218 -1.818 4.553 1.00 0.00 C ATOM 0 H VAL A 640 5.262 -0.485 6.929 1.00 0.00 H new ATOM 0 HA VAL A 640 6.383 -3.135 7.505 1.00 0.00 H new ATOM 0 HB VAL A 640 6.682 -3.318 4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 640 4.499 -4.430 4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 640 5.270 -4.823 6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 640 3.936 -3.647 6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 640 4.903 -2.251 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 640 4.357 -1.372 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 640 5.969 -1.050 4.370 1.00 0.00 H new ATOM 1145 N SER A 641 8.577 -1.973 7.431 1.00 0.00 N ATOM 1146 CA SER A 641 9.905 -1.375 7.355 1.00 0.00 C ATOM 1147 C SER A 641 10.805 -2.177 6.420 1.00 0.00 C ATOM 1148 O SER A 641 11.183 -3.307 6.727 1.00 0.00 O ATOM 1149 CB SER A 641 10.535 -1.298 8.747 1.00 0.00 C ATOM 1150 OG SER A 641 9.903 -2.195 9.644 1.00 0.00 O ATOM 0 H SER A 641 8.472 -2.676 8.163 1.00 0.00 H new ATOM 0 HA SER A 641 9.801 -0.366 6.957 1.00 0.00 H new ATOM 0 HB2 SER A 641 11.598 -1.532 8.682 1.00 0.00 H new ATOM 0 HB3 SER A 641 10.456 -0.280 9.130 1.00 0.00 H new ATOM 0 HG SER A 641 10.325 -2.128 10.526 1.00 0.00 H new ATOM 1156 N VAL A 642 11.143 -1.584 5.279 1.00 0.00 N ATOM 1157 CA VAL A 642 11.996 -2.244 4.298 1.00 0.00 C ATOM 1158 C VAL A 642 13.345 -1.542 4.187 1.00 0.00 C ATOM 1159 O VAL A 642 13.456 -0.343 4.440 1.00 0.00 O ATOM 1160 CB VAL A 642 11.335 -2.282 2.907 1.00 0.00 C ATOM 1161 CG1 VAL A 642 10.382 -3.463 2.802 1.00 0.00 C ATOM 1162 CG2 VAL A 642 10.609 -0.976 2.622 1.00 0.00 C ATOM 0 H VAL A 642 10.839 -0.648 5.012 1.00 0.00 H new ATOM 0 HA VAL A 642 12.145 -3.266 4.646 1.00 0.00 H new ATOM 0 HB VAL A 642 12.117 -2.406 2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 642 9.924 -3.474 1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 642 10.933 -4.390 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 642 9.605 -3.372 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 642 10.149 -1.023 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 642 9.837 -0.817 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 642 11.320 -0.150 2.652 1.00 0.00 H new ATOM 1172 N LYS A 643 14.370 -2.300 3.808 1.00 0.00 N ATOM 1173 CA LYS A 643 15.713 -1.753 3.664 1.00 0.00 C ATOM 1174 C LYS A 643 16.161 -1.785 2.206 1.00 0.00 C ATOM 1175 O LYS A 643 16.476 -2.845 1.665 1.00 0.00 O ATOM 1176 CB LYS A 643 16.700 -2.540 4.530 1.00 0.00 C ATOM 1177 CG LYS A 643 18.130 -2.033 4.438 1.00 0.00 C ATOM 1178 CD LYS A 643 19.122 -3.182 4.352 1.00 0.00 C ATOM 1179 CE LYS A 643 19.692 -3.528 5.717 1.00 0.00 C ATOM 1180 NZ LYS A 643 21.182 -3.525 5.715 1.00 0.00 N ATOM 0 H LYS A 643 14.295 -3.295 3.595 1.00 0.00 H new ATOM 0 HA LYS A 643 15.694 -0.715 3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 643 16.374 -2.496 5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 643 16.675 -3.588 4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 643 18.235 -1.393 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 643 18.357 -1.419 5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 643 18.630 -4.058 3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 643 19.933 -2.914 3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 643 19.329 -2.812 6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 643 19.332 -4.510 6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 21.531 -3.766 6.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 21.530 -4.226 5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 21.527 -2.581 5.449 1.00 0.00 H new ATOM 1194 N THR A 644 16.187 -0.614 1.576 1.00 0.00 N ATOM 1195 CA THR A 644 16.597 -0.508 0.181 1.00 0.00 C ATOM 1196 C THR A 644 18.116 -0.509 0.056 1.00 0.00 C ATOM 1197 O THR A 644 18.795 -0.556 1.103 1.00 0.00 O ATOM 1198 CB THR A 644 16.040 0.768 -0.474 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.276 1.899 0.373 1.00 0.00 O ATOM 1200 CG2 THR A 644 14.549 0.632 -0.742 1.00 0.00 C ATOM 1201 OXT THR A 644 18.615 -0.466 -1.088 1.00 0.00 O ATOM 0 H THR A 644 15.929 0.273 2.009 1.00 0.00 H new ATOM 0 HA THR A 644 16.191 -1.377 -0.336 1.00 0.00 H new ATOM 0 HB THR A 644 16.553 0.914 -1.425 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.757 2.589 -0.130 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.178 1.546 -1.205 1.00 0.00 H new ATOM 0 HG22 THR A 644 14.375 -0.210 -1.411 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.024 0.463 0.198 1.00 0.00 H new TER 1209 THR A 644