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 590 THR OG1 : rot 180:sc= -0.0407 USER MOD Set 1.2: A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 583 SER OG : rot -109:sc= 0.473 USER MOD Set 2.2: A 592 TYR OH : rot 180:sc= 0.221 USER MOD Set 3.1: A 572 THR OG1 : rot -59:sc= 0.859 USER MOD Set 3.2: A 574 SER OG : rot 180:sc= -0.1 USER MOD Set 3.3: A 575 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 557 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.3) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 561 THR OG1 : rot 150:sc= -0.42 USER MOD Single : A 564 THR OG1 : rot 180:sc= 0 USER MOD Single : A 565 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 568 SER OG : rot 29:sc= 0.345 USER MOD Single : A 569 THR OG1 : rot 180:sc= 0.261 USER MOD Single : A 571 GLN : amide:sc= 0.266 K(o=0.27,f=-0.41) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0 USER MOD Single : A 577 THR OG1 : rot 180:sc= 0 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 83:sc= 0.173 USER MOD Single : A 584 THR OG1 : rot 180:sc= 0 USER MOD Single : A 586 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.25) USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN : amide:sc= -0.0694 X(o=-0.069,f=-0.15) USER MOD Single : A 598 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 THR OG1 : rot 162:sc= 0.643 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 USER MOD Single : A 618 THR OG1 : rot 99:sc= 0.185 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 TYR OH : rot 130:sc= 0.0375 USER MOD Single : A 621 THR OG1 : rot 28:sc= 0.437 USER MOD Single : A 623 THR OG1 : rot 180:sc= -1.62! USER MOD Single : A 625 LYS NZ :NH3+ -140:sc= 0.196 (180deg=-0.00342) USER MOD Single : A 632 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.29) USER MOD Single : A 634 SER OG : rot 51:sc= -0.865 USER MOD Single : A 637 SER OG : rot 99:sc= -1.02 USER MOD Single : A 638 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD Single : A 643 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 644 THR OG1 : rot 114:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 557 -22.845 1.879 6.024 1.00 0.00 N ATOM 2 CA HIS A 557 -21.936 0.895 5.378 1.00 0.00 C ATOM 3 C HIS A 557 -21.698 1.242 3.913 1.00 0.00 C ATOM 4 O HIS A 557 -22.425 0.788 3.030 1.00 0.00 O ATOM 5 CB HIS A 557 -22.562 -0.496 5.496 1.00 0.00 C ATOM 6 CG HIS A 557 -21.576 -1.566 5.846 1.00 0.00 C ATOM 7 ND1 HIS A 557 -20.549 -1.376 6.748 1.00 0.00 N ATOM 8 CD2 HIS A 557 -21.460 -2.843 5.411 1.00 0.00 C ATOM 9 CE1 HIS A 557 -19.844 -2.489 6.850 1.00 0.00 C ATOM 10 NE2 HIS A 557 -20.376 -3.394 6.050 1.00 0.00 N ATOM 0 HA HIS A 557 -20.969 0.917 5.881 1.00 0.00 H new ATOM 0 HB2 HIS A 557 -23.344 -0.471 6.255 1.00 0.00 H new ATOM 0 HB3 HIS A 557 -23.043 -0.751 4.552 1.00 0.00 H new ATOM 0 HD2 HIS A 557 -22.100 -3.336 4.695 1.00 0.00 H new ATOM 0 HE1 HIS A 557 -18.979 -2.634 7.481 1.00 0.00 H new ATOM 0 HE2 HIS A 557 -20.037 -4.348 5.926 1.00 0.00 H new ATOM 21 N MET A 558 -20.675 2.053 3.662 1.00 0.00 N ATOM 22 CA MET A 558 -20.341 2.464 2.302 1.00 0.00 C ATOM 23 C MET A 558 -18.853 2.281 2.026 1.00 0.00 C ATOM 24 O MET A 558 -18.464 1.523 1.136 1.00 0.00 O ATOM 25 CB MET A 558 -20.734 3.925 2.073 1.00 0.00 C ATOM 26 CG MET A 558 -21.879 4.398 2.955 1.00 0.00 C ATOM 27 SD MET A 558 -21.309 5.304 4.406 1.00 0.00 S ATOM 28 CE MET A 558 -22.218 6.836 4.230 1.00 0.00 C ATOM 0 H MET A 558 -20.063 2.438 4.381 1.00 0.00 H new ATOM 0 HA MET A 558 -20.902 1.831 1.614 1.00 0.00 H new ATOM 0 HB2 MET A 558 -19.865 4.558 2.252 1.00 0.00 H new ATOM 0 HB3 MET A 558 -21.014 4.057 1.028 1.00 0.00 H new ATOM 0 HG2 MET A 558 -22.543 5.035 2.371 1.00 0.00 H new ATOM 0 HG3 MET A 558 -22.465 3.537 3.276 1.00 0.00 H new ATOM 0 HE1 MET A 558 -21.971 7.503 5.056 1.00 0.00 H new ATOM 0 HE2 MET A 558 -21.950 7.312 3.287 1.00 0.00 H new ATOM 0 HE3 MET A 558 -23.288 6.627 4.240 1.00 0.00 H new ATOM 38 N ALA A 559 -18.023 2.981 2.794 1.00 0.00 N ATOM 39 CA ALA A 559 -16.576 2.902 2.634 1.00 0.00 C ATOM 40 C ALA A 559 -16.079 1.467 2.800 1.00 0.00 C ATOM 41 O ALA A 559 -16.590 0.718 3.632 1.00 0.00 O ATOM 42 CB ALA A 559 -15.884 3.817 3.632 1.00 0.00 C ATOM 0 H ALA A 559 -18.330 3.611 3.535 1.00 0.00 H new ATOM 0 HA ALA A 559 -16.331 3.229 1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -14.804 3.748 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -16.205 4.845 3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -16.147 3.515 4.646 1.00 0.00 H new ATOM 48 N PRO A 560 -15.071 1.062 2.006 1.00 0.00 N ATOM 49 CA PRO A 560 -14.508 -0.290 2.074 1.00 0.00 C ATOM 50 C PRO A 560 -13.668 -0.508 3.327 1.00 0.00 C ATOM 51 O PRO A 560 -13.556 0.378 4.174 1.00 0.00 O ATOM 52 CB PRO A 560 -13.632 -0.371 0.825 1.00 0.00 C ATOM 53 CG PRO A 560 -13.234 1.038 0.552 1.00 0.00 C ATOM 54 CD PRO A 560 -14.399 1.888 0.982 1.00 0.00 C ATOM 0 HA PRO A 560 -15.286 -1.053 2.118 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.760 -1.004 0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -14.179 -0.798 -0.016 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -12.333 1.303 1.105 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -13.014 1.184 -0.506 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -14.069 2.843 1.390 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -15.063 2.110 0.147 1.00 0.00 H new ATOM 62 N THR A 561 -13.079 -1.696 3.439 1.00 0.00 N ATOM 63 CA THR A 561 -12.250 -2.033 4.589 1.00 0.00 C ATOM 64 C THR A 561 -10.785 -1.701 4.326 1.00 0.00 C ATOM 65 O THR A 561 -10.348 -1.639 3.177 1.00 0.00 O ATOM 66 CB THR A 561 -12.367 -3.526 4.951 1.00 0.00 C ATOM 67 OG1 THR A 561 -11.855 -4.333 3.885 1.00 0.00 O ATOM 68 CG2 THR A 561 -13.816 -3.902 5.225 1.00 0.00 C ATOM 0 H THR A 561 -13.162 -2.440 2.746 1.00 0.00 H new ATOM 0 HA THR A 561 -12.613 -1.435 5.425 1.00 0.00 H new ATOM 0 HB THR A 561 -11.782 -3.705 5.853 1.00 0.00 H new ATOM 0 HG1 THR A 561 -11.486 -5.164 4.252 1.00 0.00 H new ATOM 0 HG21 THR A 561 -13.876 -4.960 5.479 1.00 0.00 H new ATOM 0 HG22 THR A 561 -14.195 -3.308 6.056 1.00 0.00 H new ATOM 0 HG23 THR A 561 -14.417 -3.707 4.336 1.00 0.00 H new ATOM 76 N ALA A 562 -10.034 -1.486 5.401 1.00 0.00 N ATOM 77 CA ALA A 562 -8.618 -1.156 5.294 1.00 0.00 C ATOM 78 C ALA A 562 -7.768 -2.414 5.131 1.00 0.00 C ATOM 79 O ALA A 562 -7.865 -3.343 5.934 1.00 0.00 O ATOM 80 CB ALA A 562 -8.171 -0.375 6.520 1.00 0.00 C ATOM 0 H ALA A 562 -10.384 -1.535 6.358 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.479 -0.539 4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.112 -0.133 6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -8.749 0.546 6.595 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.332 -0.978 7.414 1.00 0.00 H new ATOM 86 N PRO A 563 -6.913 -2.459 4.090 1.00 0.00 N ATOM 87 CA PRO A 563 -6.038 -3.610 3.836 1.00 0.00 C ATOM 88 C PRO A 563 -5.300 -4.045 5.096 1.00 0.00 C ATOM 89 O PRO A 563 -4.833 -3.211 5.870 1.00 0.00 O ATOM 90 CB PRO A 563 -5.050 -3.081 2.796 1.00 0.00 C ATOM 91 CG PRO A 563 -5.789 -2.003 2.081 1.00 0.00 C ATOM 92 CD PRO A 563 -6.729 -1.393 3.087 1.00 0.00 C ATOM 0 HA PRO A 563 -6.593 -4.487 3.504 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.147 -2.695 3.269 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.738 -3.869 2.110 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -5.101 -1.254 1.689 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -6.339 -2.407 1.231 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.307 -0.492 3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.676 -1.108 2.628 1.00 0.00 H new ATOM 100 N THR A 564 -5.208 -5.353 5.303 1.00 0.00 N ATOM 101 CA THR A 564 -4.533 -5.887 6.479 1.00 0.00 C ATOM 102 C THR A 564 -3.489 -6.930 6.099 1.00 0.00 C ATOM 103 O THR A 564 -3.509 -7.470 4.993 1.00 0.00 O ATOM 104 CB THR A 564 -5.536 -6.518 7.462 1.00 0.00 C ATOM 105 OG1 THR A 564 -6.146 -7.670 6.868 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.612 -5.516 7.854 1.00 0.00 C ATOM 0 H THR A 564 -5.590 -6.060 4.675 1.00 0.00 H new ATOM 0 HA THR A 564 -4.036 -5.046 6.962 1.00 0.00 H new ATOM 0 HB THR A 564 -4.993 -6.816 8.359 1.00 0.00 H new ATOM 0 HG1 THR A 564 -6.781 -8.066 7.500 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.309 -5.984 8.549 1.00 0.00 H new ATOM 0 HG22 THR A 564 -6.149 -4.653 8.331 1.00 0.00 H new ATOM 0 HG23 THR A 564 -7.150 -5.193 6.963 1.00 0.00 H new ATOM 114 N ASN A 565 -2.583 -7.209 7.031 1.00 0.00 N ATOM 115 CA ASN A 565 -1.526 -8.191 6.816 1.00 0.00 C ATOM 116 C ASN A 565 -0.646 -7.818 5.625 1.00 0.00 C ATOM 117 O ASN A 565 -0.453 -8.620 4.710 1.00 0.00 O ATOM 118 CB ASN A 565 -2.127 -9.580 6.605 1.00 0.00 C ATOM 119 CG ASN A 565 -1.325 -10.668 7.292 1.00 0.00 C ATOM 120 OD1 ASN A 565 -0.103 -10.732 7.158 1.00 0.00 O ATOM 121 ND2 ASN A 565 -2.010 -11.531 8.033 1.00 0.00 N ATOM 0 H ASN A 565 -2.560 -6.765 7.949 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.899 -8.201 7.708 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -3.149 -9.592 6.984 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -2.180 -9.791 5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -1.524 -12.284 8.519 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -3.023 -11.440 8.116 1.00 0.00 H new ATOM 128 N LEU A 566 -0.101 -6.603 5.645 1.00 0.00 N ATOM 129 CA LEU A 566 0.772 -6.146 4.568 1.00 0.00 C ATOM 130 C LEU A 566 2.092 -6.908 4.608 1.00 0.00 C ATOM 131 O LEU A 566 2.443 -7.495 5.631 1.00 0.00 O ATOM 132 CB LEU A 566 1.028 -4.640 4.678 1.00 0.00 C ATOM 133 CG LEU A 566 1.993 -4.062 3.636 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.455 -4.261 2.226 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.243 -2.589 3.905 1.00 0.00 C ATOM 0 H LEU A 566 -0.248 -5.922 6.390 1.00 0.00 H new ATOM 0 HA LEU A 566 0.277 -6.340 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 566 0.074 -4.119 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.422 -4.427 5.672 1.00 0.00 H new ATOM 0 HG LEU A 566 2.939 -4.597 3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.158 -3.842 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.328 -5.326 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.493 -3.757 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 566 2.930 -2.194 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.300 -2.045 3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 566 2.679 -2.469 4.897 1.00 0.00 H new ATOM 147 N ALA A 567 2.817 -6.900 3.496 1.00 0.00 N ATOM 148 CA ALA A 567 4.093 -7.600 3.424 1.00 0.00 C ATOM 149 C ALA A 567 4.948 -7.089 2.272 1.00 0.00 C ATOM 150 O ALA A 567 4.514 -6.248 1.485 1.00 0.00 O ATOM 151 CB ALA A 567 3.866 -9.097 3.289 1.00 0.00 C ATOM 0 H ALA A 567 2.546 -6.420 2.638 1.00 0.00 H new ATOM 0 HA ALA A 567 4.633 -7.403 4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 567 4.828 -9.608 3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.309 -9.460 4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.298 -9.298 2.381 1.00 0.00 H new ATOM 157 N SER A 568 6.166 -7.614 2.178 1.00 0.00 N ATOM 158 CA SER A 568 7.092 -7.227 1.121 1.00 0.00 C ATOM 159 C SER A 568 7.786 -8.456 0.544 1.00 0.00 C ATOM 160 O SER A 568 8.427 -9.215 1.270 1.00 0.00 O ATOM 161 CB SER A 568 8.133 -6.243 1.660 1.00 0.00 C ATOM 162 OG SER A 568 8.846 -6.801 2.749 1.00 0.00 O ATOM 0 H SER A 568 6.535 -8.311 2.824 1.00 0.00 H new ATOM 0 HA SER A 568 6.524 -6.741 0.328 1.00 0.00 H new ATOM 0 HB2 SER A 568 8.829 -5.974 0.865 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.640 -5.324 1.977 1.00 0.00 H new ATOM 0 HG SER A 568 8.883 -7.775 2.651 1.00 0.00 H new ATOM 168 N THR A 569 7.650 -8.649 -0.763 1.00 0.00 N ATOM 169 CA THR A 569 8.259 -9.791 -1.432 1.00 0.00 C ATOM 170 C THR A 569 9.562 -9.394 -2.120 1.00 0.00 C ATOM 171 O THR A 569 10.639 -9.496 -1.533 1.00 0.00 O ATOM 172 CB THR A 569 7.302 -10.406 -2.470 1.00 0.00 C ATOM 173 OG1 THR A 569 6.654 -9.369 -3.216 1.00 0.00 O ATOM 174 CG2 THR A 569 6.255 -11.277 -1.793 1.00 0.00 C ATOM 0 H THR A 569 7.124 -8.030 -1.379 1.00 0.00 H new ATOM 0 HA THR A 569 8.473 -10.535 -0.664 1.00 0.00 H new ATOM 0 HB THR A 569 7.889 -11.028 -3.146 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.049 -9.769 -3.875 1.00 0.00 H new ATOM 0 HG21 THR A 569 5.591 -11.700 -2.547 1.00 0.00 H new ATOM 0 HG22 THR A 569 6.748 -12.083 -1.250 1.00 0.00 H new ATOM 0 HG23 THR A 569 5.674 -10.673 -1.096 1.00 0.00 H new ATOM 182 N ALA A 570 9.460 -8.942 -3.366 1.00 0.00 N ATOM 183 CA ALA A 570 10.632 -8.532 -4.129 1.00 0.00 C ATOM 184 C ALA A 570 11.000 -7.083 -3.832 1.00 0.00 C ATOM 185 O ALA A 570 10.145 -6.200 -3.857 1.00 0.00 O ATOM 186 CB ALA A 570 10.382 -8.719 -5.617 1.00 0.00 C ATOM 0 H ALA A 570 8.577 -8.851 -3.868 1.00 0.00 H new ATOM 0 HA ALA A 570 11.470 -9.161 -3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.265 -8.409 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.173 -9.769 -5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.529 -8.113 -5.922 1.00 0.00 H new ATOM 192 N GLN A 571 12.278 -6.844 -3.553 1.00 0.00 N ATOM 193 CA GLN A 571 12.758 -5.499 -3.252 1.00 0.00 C ATOM 194 C GLN A 571 14.214 -5.336 -3.674 1.00 0.00 C ATOM 195 O GLN A 571 15.110 -5.967 -3.111 1.00 0.00 O ATOM 196 CB GLN A 571 12.605 -5.205 -1.757 1.00 0.00 C ATOM 197 CG GLN A 571 13.337 -3.953 -1.298 1.00 0.00 C ATOM 198 CD GLN A 571 14.171 -4.190 -0.054 1.00 0.00 C ATOM 199 OE1 GLN A 571 13.895 -3.631 1.008 1.00 0.00 O ATOM 200 NE2 GLN A 571 15.197 -5.022 -0.179 1.00 0.00 N ATOM 0 H GLN A 571 13.000 -7.564 -3.529 1.00 0.00 H new ATOM 0 HA GLN A 571 12.156 -4.787 -3.816 1.00 0.00 H new ATOM 0 HB2 GLN A 571 11.545 -5.101 -1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.974 -6.059 -1.189 1.00 0.00 H new ATOM 0 HG2 GLN A 571 13.982 -3.598 -2.102 1.00 0.00 H new ATOM 0 HG3 GLN A 571 12.611 -3.164 -1.100 1.00 0.00 H new ATOM 0 HE21 GLN A 571 15.389 -5.463 -1.078 1.00 0.00 H new ATOM 0 HE22 GLN A 571 15.794 -5.220 0.624 1.00 0.00 H new ATOM 209 N THR A 572 14.443 -4.484 -4.668 1.00 0.00 N ATOM 210 CA THR A 572 15.787 -4.234 -5.170 1.00 0.00 C ATOM 211 C THR A 572 16.393 -2.993 -4.517 1.00 0.00 C ATOM 212 O THR A 572 16.028 -2.630 -3.399 1.00 0.00 O ATOM 213 CB THR A 572 15.788 -4.056 -6.701 1.00 0.00 C ATOM 214 OG1 THR A 572 15.131 -2.833 -7.053 1.00 0.00 O ATOM 215 CG2 THR A 572 15.093 -5.226 -7.382 1.00 0.00 C ATOM 0 H THR A 572 13.712 -3.954 -5.142 1.00 0.00 H new ATOM 0 HA THR A 572 16.392 -5.104 -4.915 1.00 0.00 H new ATOM 0 HB THR A 572 16.823 -4.022 -7.040 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.211 -2.847 -6.716 1.00 0.00 H new ATOM 0 HG21 THR A 572 15.106 -5.078 -8.462 1.00 0.00 H new ATOM 0 HG22 THR A 572 15.613 -6.152 -7.136 1.00 0.00 H new ATOM 0 HG23 THR A 572 14.061 -5.287 -7.037 1.00 0.00 H new ATOM 223 N THR A 573 17.320 -2.346 -5.220 1.00 0.00 N ATOM 224 CA THR A 573 17.971 -1.150 -4.704 1.00 0.00 C ATOM 225 C THR A 573 17.319 0.116 -5.252 1.00 0.00 C ATOM 226 O THR A 573 17.937 1.181 -5.281 1.00 0.00 O ATOM 227 CB THR A 573 19.472 -1.132 -5.057 1.00 0.00 C ATOM 228 OG1 THR A 573 19.642 -1.146 -6.479 1.00 0.00 O ATOM 229 CG2 THR A 573 20.184 -2.330 -4.445 1.00 0.00 C ATOM 0 H THR A 573 17.635 -2.632 -6.147 1.00 0.00 H new ATOM 0 HA THR A 573 17.857 -1.173 -3.620 1.00 0.00 H new ATOM 0 HB THR A 573 19.908 -0.220 -4.649 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.598 -1.133 -6.694 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.242 -2.297 -4.707 1.00 0.00 H new ATOM 0 HG22 THR A 573 20.077 -2.302 -3.361 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.744 -3.250 -4.829 1.00 0.00 H new ATOM 237 N SER A 574 16.065 -0.005 -5.686 1.00 0.00 N ATOM 238 CA SER A 574 15.336 1.137 -6.232 1.00 0.00 C ATOM 239 C SER A 574 13.841 0.846 -6.342 1.00 0.00 C ATOM 240 O SER A 574 13.011 1.668 -5.956 1.00 0.00 O ATOM 241 CB SER A 574 15.895 1.513 -7.606 1.00 0.00 C ATOM 242 OG SER A 574 15.621 0.504 -8.562 1.00 0.00 O ATOM 0 H SER A 574 15.536 -0.877 -5.670 1.00 0.00 H new ATOM 0 HA SER A 574 15.468 1.974 -5.546 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.459 2.457 -7.934 1.00 0.00 H new ATOM 0 HB3 SER A 574 16.972 1.667 -7.534 1.00 0.00 H new ATOM 0 HG SER A 574 15.987 0.769 -9.432 1.00 0.00 H new ATOM 248 N SER A 575 13.502 -0.324 -6.878 1.00 0.00 N ATOM 249 CA SER A 575 12.104 -0.712 -7.042 1.00 0.00 C ATOM 250 C SER A 575 11.704 -1.778 -6.026 1.00 0.00 C ATOM 251 O SER A 575 12.421 -2.758 -5.827 1.00 0.00 O ATOM 252 CB SER A 575 11.862 -1.230 -8.461 1.00 0.00 C ATOM 253 OG SER A 575 13.088 -1.483 -9.127 1.00 0.00 O ATOM 0 H SER A 575 14.174 -1.018 -7.205 1.00 0.00 H new ATOM 0 HA SER A 575 11.489 0.171 -6.871 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.270 -2.144 -8.422 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.282 -0.499 -9.025 1.00 0.00 H new ATOM 0 HG SER A 575 12.907 -1.815 -10.031 1.00 0.00 H new ATOM 259 N ILE A 576 10.553 -1.584 -5.390 1.00 0.00 N ATOM 260 CA ILE A 576 10.057 -2.531 -4.399 1.00 0.00 C ATOM 261 C ILE A 576 8.655 -3.016 -4.758 1.00 0.00 C ATOM 262 O ILE A 576 7.896 -2.314 -5.426 1.00 0.00 O ATOM 263 CB ILE A 576 10.037 -1.914 -2.984 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.696 -2.979 -1.939 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.043 -0.762 -2.917 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.951 -2.535 -0.514 1.00 0.00 C ATOM 0 H ILE A 576 9.946 -0.779 -5.544 1.00 0.00 H new ATOM 0 HA ILE A 576 10.742 -3.379 -4.401 1.00 0.00 H new ATOM 0 HB ILE A 576 11.031 -1.523 -2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.646 -3.254 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.282 -3.875 -2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 576 9.043 -0.340 -1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.329 0.008 -3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.045 -1.128 -3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.687 -3.341 0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 576 11.006 -2.287 -0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.345 -1.657 -0.292 1.00 0.00 H new ATOM 278 N THR A 577 8.319 -4.220 -4.305 1.00 0.00 N ATOM 279 CA THR A 577 7.011 -4.805 -4.569 1.00 0.00 C ATOM 280 C THR A 577 6.304 -5.160 -3.266 1.00 0.00 C ATOM 281 O THR A 577 6.825 -5.927 -2.455 1.00 0.00 O ATOM 282 CB THR A 577 7.127 -6.068 -5.444 1.00 0.00 C ATOM 283 OG1 THR A 577 8.068 -5.847 -6.501 1.00 0.00 O ATOM 284 CG2 THR A 577 5.775 -6.444 -6.032 1.00 0.00 C ATOM 0 H THR A 577 8.939 -4.811 -3.751 1.00 0.00 H new ATOM 0 HA THR A 577 6.427 -4.058 -5.106 1.00 0.00 H new ATOM 0 HB THR A 577 7.473 -6.889 -4.816 1.00 0.00 H new ATOM 0 HG1 THR A 577 8.137 -6.655 -7.051 1.00 0.00 H new ATOM 0 HG21 THR A 577 5.881 -7.338 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.069 -6.640 -5.225 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.405 -5.624 -6.647 1.00 0.00 H new ATOM 292 N LEU A 578 5.123 -4.586 -3.065 1.00 0.00 N ATOM 293 CA LEU A 578 4.350 -4.829 -1.853 1.00 0.00 C ATOM 294 C LEU A 578 3.161 -5.745 -2.124 1.00 0.00 C ATOM 295 O LEU A 578 2.597 -5.746 -3.217 1.00 0.00 O ATOM 296 CB LEU A 578 3.861 -3.499 -1.271 1.00 0.00 C ATOM 297 CG LEU A 578 4.289 -3.198 0.171 1.00 0.00 C ATOM 298 CD1 LEU A 578 5.710 -3.671 0.444 1.00 0.00 C ATOM 299 CD2 LEU A 578 4.168 -1.708 0.450 1.00 0.00 C ATOM 0 H LEU A 578 4.680 -3.949 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 578 5.001 -5.326 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 578 4.218 -2.692 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 578 2.772 -3.484 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 578 3.624 -3.745 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.978 -3.441 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 578 5.772 -4.747 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 578 6.398 -3.164 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 578 4.474 -1.504 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.810 -1.156 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 578 3.133 -1.395 0.311 1.00 0.00 H new ATOM 311 N SER A 579 2.784 -6.519 -1.110 1.00 0.00 N ATOM 312 CA SER A 579 1.660 -7.441 -1.215 1.00 0.00 C ATOM 313 C SER A 579 0.819 -7.390 0.057 1.00 0.00 C ATOM 314 O SER A 579 1.354 -7.227 1.153 1.00 0.00 O ATOM 315 CB SER A 579 2.159 -8.867 -1.457 1.00 0.00 C ATOM 316 OG SER A 579 3.550 -8.881 -1.732 1.00 0.00 O ATOM 0 H SER A 579 3.245 -6.524 -0.200 1.00 0.00 H new ATOM 0 HA SER A 579 1.042 -7.140 -2.061 1.00 0.00 H new ATOM 0 HB2 SER A 579 1.952 -9.482 -0.581 1.00 0.00 H new ATOM 0 HB3 SER A 579 1.616 -9.309 -2.292 1.00 0.00 H new ATOM 0 HG SER A 579 3.845 -9.804 -1.881 1.00 0.00 H new ATOM 322 N TRP A 580 -0.495 -7.518 -0.090 1.00 0.00 N ATOM 323 CA TRP A 580 -1.392 -7.470 1.060 1.00 0.00 C ATOM 324 C TRP A 580 -2.728 -8.141 0.755 1.00 0.00 C ATOM 325 O TRP A 580 -3.021 -8.474 -0.393 1.00 0.00 O ATOM 326 CB TRP A 580 -1.626 -6.020 1.480 1.00 0.00 C ATOM 327 CG TRP A 580 -2.249 -5.189 0.399 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.581 -4.952 0.215 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.569 -4.494 -0.653 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.771 -4.152 -0.885 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.551 -3.857 -1.435 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.225 -4.347 -1.009 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.232 -3.086 -2.550 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.090 -3.581 -2.115 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.909 -2.960 -2.874 1.00 0.00 C ATOM 0 H TRP A 580 -0.961 -7.655 -0.987 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.918 -8.015 1.876 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.269 -6.002 2.360 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.675 -5.574 1.771 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.370 -5.338 0.843 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.673 -3.830 -1.235 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.553 -4.823 -0.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -3.001 -2.605 -3.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.125 -3.459 -2.399 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.629 -2.369 -3.734 1.00 0.00 H new ATOM 346 N THR A 581 -3.532 -8.332 1.798 1.00 0.00 N ATOM 347 CA THR A 581 -4.840 -8.962 1.656 1.00 0.00 C ATOM 348 C THR A 581 -5.878 -7.971 1.140 1.00 0.00 C ATOM 349 O THR A 581 -6.030 -6.877 1.682 1.00 0.00 O ATOM 350 CB THR A 581 -5.329 -9.547 2.994 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.233 -10.138 3.702 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.413 -10.589 2.766 1.00 0.00 C ATOM 0 H THR A 581 -3.299 -8.058 2.753 1.00 0.00 H new ATOM 0 HA THR A 581 -4.723 -9.770 0.933 1.00 0.00 H new ATOM 0 HB THR A 581 -5.748 -8.734 3.588 1.00 0.00 H new ATOM 0 HG1 THR A 581 -3.745 -9.442 4.189 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.742 -10.988 3.726 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.259 -10.129 2.255 1.00 0.00 H new ATOM 0 HG23 THR A 581 -6.016 -11.399 2.154 1.00 0.00 H new ATOM 360 N ALA A 582 -6.588 -8.366 0.089 1.00 0.00 N ATOM 361 CA ALA A 582 -7.615 -7.518 -0.503 1.00 0.00 C ATOM 362 C ALA A 582 -8.753 -7.269 0.480 1.00 0.00 C ATOM 363 O ALA A 582 -8.987 -8.064 1.388 1.00 0.00 O ATOM 364 CB ALA A 582 -8.147 -8.148 -1.781 1.00 0.00 C ATOM 0 H ALA A 582 -6.471 -9.269 -0.371 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.163 -6.557 -0.746 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -8.913 -7.504 -2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -7.331 -8.269 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.578 -9.123 -1.554 1.00 0.00 H new ATOM 370 N SER A 583 -9.458 -6.158 0.289 1.00 0.00 N ATOM 371 CA SER A 583 -10.574 -5.803 1.157 1.00 0.00 C ATOM 372 C SER A 583 -11.707 -6.815 1.028 1.00 0.00 C ATOM 373 O SER A 583 -11.985 -7.313 -0.063 1.00 0.00 O ATOM 374 CB SER A 583 -11.083 -4.401 0.817 1.00 0.00 C ATOM 375 OG SER A 583 -10.024 -3.459 0.817 1.00 0.00 O ATOM 0 H SER A 583 -9.276 -5.489 -0.459 1.00 0.00 H new ATOM 0 HA SER A 583 -10.220 -5.813 2.188 1.00 0.00 H new ATOM 0 HB2 SER A 583 -11.563 -4.413 -0.161 1.00 0.00 H new ATOM 0 HB3 SER A 583 -11.841 -4.101 1.541 1.00 0.00 H new ATOM 0 HG SER A 583 -10.112 -2.868 1.593 1.00 0.00 H new ATOM 381 N THR A 584 -12.357 -7.115 2.148 1.00 0.00 N ATOM 382 CA THR A 584 -13.461 -8.068 2.161 1.00 0.00 C ATOM 383 C THR A 584 -14.637 -7.555 1.337 1.00 0.00 C ATOM 384 O THR A 584 -15.522 -8.320 0.954 1.00 0.00 O ATOM 385 CB THR A 584 -13.940 -8.355 3.597 1.00 0.00 C ATOM 386 OG1 THR A 584 -12.812 -8.562 4.457 1.00 0.00 O ATOM 387 CG2 THR A 584 -14.842 -9.581 3.635 1.00 0.00 C ATOM 0 H THR A 584 -12.138 -6.712 3.059 1.00 0.00 H new ATOM 0 HA THR A 584 -13.087 -8.992 1.721 1.00 0.00 H new ATOM 0 HB THR A 584 -14.510 -7.493 3.944 1.00 0.00 H new ATOM 0 HG1 THR A 584 -13.124 -8.742 5.368 1.00 0.00 H new ATOM 0 HG21 THR A 584 -15.167 -9.762 4.660 1.00 0.00 H new ATOM 0 HG22 THR A 584 -15.714 -9.411 3.003 1.00 0.00 H new ATOM 0 HG23 THR A 584 -14.292 -10.449 3.270 1.00 0.00 H new ATOM 395 N ASP A 585 -14.637 -6.254 1.065 1.00 0.00 N ATOM 396 CA ASP A 585 -15.702 -5.636 0.286 1.00 0.00 C ATOM 397 C ASP A 585 -15.179 -5.146 -1.061 1.00 0.00 C ATOM 398 O ASP A 585 -14.050 -4.666 -1.165 1.00 0.00 O ATOM 399 CB ASP A 585 -16.320 -4.469 1.059 1.00 0.00 C ATOM 400 CG ASP A 585 -16.963 -4.912 2.357 1.00 0.00 C ATOM 401 OD1 ASP A 585 -17.934 -5.694 2.302 1.00 0.00 O ATOM 402 OD2 ASP A 585 -16.494 -4.477 3.430 1.00 0.00 O ATOM 0 H ASP A 585 -13.911 -5.608 1.373 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.468 -6.390 0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -15.549 -3.729 1.273 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -17.067 -3.979 0.435 1.00 0.00 H new ATOM 407 N ASN A 586 -16.012 -5.270 -2.090 1.00 0.00 N ATOM 408 CA ASN A 586 -15.643 -4.841 -3.433 1.00 0.00 C ATOM 409 C ASN A 586 -16.882 -4.449 -4.232 1.00 0.00 C ATOM 410 O ASN A 586 -17.013 -4.793 -5.407 1.00 0.00 O ATOM 411 CB ASN A 586 -14.879 -5.952 -4.157 1.00 0.00 C ATOM 412 CG ASN A 586 -15.718 -7.201 -4.349 1.00 0.00 C ATOM 413 OD1 ASN A 586 -16.201 -7.474 -5.448 1.00 0.00 O ATOM 414 ND2 ASN A 586 -15.896 -7.967 -3.279 1.00 0.00 N ATOM 0 H ASN A 586 -16.949 -5.665 -2.018 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.996 -3.968 -3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -14.548 -5.587 -5.129 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -13.983 -6.203 -3.589 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -16.451 -8.820 -3.349 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -15.477 -7.703 -2.387 1.00 0.00 H new ATOM 421 N VAL A 587 -17.792 -3.730 -3.582 1.00 0.00 N ATOM 422 CA VAL A 587 -19.025 -3.291 -4.224 1.00 0.00 C ATOM 423 C VAL A 587 -18.823 -1.971 -4.961 1.00 0.00 C ATOM 424 O VAL A 587 -19.627 -1.597 -5.816 1.00 0.00 O ATOM 425 CB VAL A 587 -20.171 -3.123 -3.205 1.00 0.00 C ATOM 426 CG1 VAL A 587 -21.497 -3.540 -3.821 1.00 0.00 C ATOM 427 CG2 VAL A 587 -19.892 -3.922 -1.939 1.00 0.00 C ATOM 0 H VAL A 587 -17.698 -3.439 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 587 -19.297 -4.069 -4.938 1.00 0.00 H new ATOM 0 HB VAL A 587 -20.234 -2.069 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -22.294 -3.415 -3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -21.705 -2.919 -4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -21.444 -4.585 -4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -20.714 -3.788 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -19.797 -4.979 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -18.965 -3.572 -1.485 1.00 0.00 H new ATOM 437 N GLY A 588 -17.745 -1.269 -4.624 1.00 0.00 N ATOM 438 CA GLY A 588 -17.458 0.002 -5.263 1.00 0.00 C ATOM 439 C GLY A 588 -15.976 0.319 -5.287 1.00 0.00 C ATOM 440 O GLY A 588 -15.561 1.328 -5.859 1.00 0.00 O ATOM 0 H GLY A 588 -17.066 -1.558 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.839 -0.014 -6.284 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.988 0.797 -4.738 1.00 0.00 H new ATOM 444 N VAL A 589 -15.175 -0.541 -4.665 1.00 0.00 N ATOM 445 CA VAL A 589 -13.731 -0.342 -4.620 1.00 0.00 C ATOM 446 C VAL A 589 -13.125 -0.423 -6.017 1.00 0.00 C ATOM 447 O VAL A 589 -13.632 -1.137 -6.883 1.00 0.00 O ATOM 448 CB VAL A 589 -13.042 -1.379 -3.712 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.596 -0.986 -3.454 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.799 -1.531 -2.402 1.00 0.00 C ATOM 0 H VAL A 589 -15.501 -1.381 -4.186 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.563 0.653 -4.207 1.00 0.00 H new ATOM 0 HB VAL A 589 -13.049 -2.341 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -11.126 -1.730 -2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -11.059 -0.933 -4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.565 -0.012 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -13.297 -2.268 -1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.827 -0.572 -1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.817 -1.862 -2.606 1.00 0.00 H new ATOM 460 N THR A 590 -12.040 0.313 -6.230 1.00 0.00 N ATOM 461 CA THR A 590 -11.367 0.325 -7.523 1.00 0.00 C ATOM 462 C THR A 590 -9.895 -0.050 -7.385 1.00 0.00 C ATOM 463 O THR A 590 -9.401 -0.932 -8.088 1.00 0.00 O ATOM 464 CB THR A 590 -11.472 1.704 -8.200 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.005 2.724 -7.308 1.00 0.00 O ATOM 466 CG2 THR A 590 -12.909 1.998 -8.605 1.00 0.00 C ATOM 0 H THR A 590 -11.608 0.909 -5.524 1.00 0.00 H new ATOM 0 HA THR A 590 -11.870 -0.416 -8.144 1.00 0.00 H new ATOM 0 HB THR A 590 -10.852 1.694 -9.096 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.073 3.598 -7.746 1.00 0.00 H new ATOM 0 HG21 THR A 590 -12.960 2.977 -9.081 1.00 0.00 H new ATOM 0 HG22 THR A 590 -13.253 1.236 -9.304 1.00 0.00 H new ATOM 0 HG23 THR A 590 -13.545 1.992 -7.720 1.00 0.00 H new ATOM 474 N GLY A 591 -9.198 0.627 -6.477 1.00 0.00 N ATOM 475 CA GLY A 591 -7.789 0.350 -6.270 1.00 0.00 C ATOM 476 C GLY A 591 -7.318 0.700 -4.872 1.00 0.00 C ATOM 477 O GLY A 591 -8.125 1.026 -4.000 1.00 0.00 O ATOM 0 H GLY A 591 -9.583 1.361 -5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.600 -0.707 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.203 0.912 -6.997 1.00 0.00 H new ATOM 481 N TYR A 592 -6.008 0.630 -4.662 1.00 0.00 N ATOM 482 CA TYR A 592 -5.419 0.937 -3.365 1.00 0.00 C ATOM 483 C TYR A 592 -4.407 2.071 -3.480 1.00 0.00 C ATOM 484 O TYR A 592 -4.118 2.551 -4.577 1.00 0.00 O ATOM 485 CB TYR A 592 -4.743 -0.307 -2.785 1.00 0.00 C ATOM 486 CG TYR A 592 -5.682 -1.479 -2.621 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.456 -1.616 -1.476 1.00 0.00 C ATOM 488 CD2 TYR A 592 -5.796 -2.446 -3.611 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.318 -2.685 -1.323 1.00 0.00 C ATOM 490 CE2 TYR A 592 -6.655 -3.517 -3.464 1.00 0.00 C ATOM 491 CZ TYR A 592 -7.413 -3.632 -2.320 1.00 0.00 C ATOM 492 OH TYR A 592 -8.272 -4.696 -2.172 1.00 0.00 O ATOM 0 H TYR A 592 -5.332 0.362 -5.377 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.219 1.256 -2.697 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -3.919 -0.600 -3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.312 -0.058 -1.815 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.383 -0.876 -0.693 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -5.204 -2.359 -4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -7.914 -2.778 -0.427 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -6.732 -4.261 -4.243 1.00 0.00 H new ATOM 0 HH TYR A 592 -8.220 -5.271 -2.964 1.00 0.00 H new ATOM 502 N ASP A 593 -3.872 2.494 -2.340 1.00 0.00 N ATOM 503 CA ASP A 593 -2.889 3.570 -2.307 1.00 0.00 C ATOM 504 C ASP A 593 -1.792 3.266 -1.293 1.00 0.00 C ATOM 505 O ASP A 593 -2.074 2.895 -0.155 1.00 0.00 O ATOM 506 CB ASP A 593 -3.565 4.898 -1.962 1.00 0.00 C ATOM 507 CG ASP A 593 -4.501 5.373 -3.055 1.00 0.00 C ATOM 508 OD1 ASP A 593 -5.610 4.811 -3.172 1.00 0.00 O ATOM 509 OD2 ASP A 593 -4.125 6.306 -3.795 1.00 0.00 O ATOM 0 H ASP A 593 -4.103 2.107 -1.425 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.437 3.649 -3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -4.123 4.787 -1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -2.802 5.656 -1.787 1.00 0.00 H new ATOM 514 N VAL A 594 -0.543 3.426 -1.710 1.00 0.00 N ATOM 515 CA VAL A 594 0.589 3.165 -0.831 1.00 0.00 C ATOM 516 C VAL A 594 1.144 4.459 -0.248 1.00 0.00 C ATOM 517 O VAL A 594 1.471 5.392 -0.981 1.00 0.00 O ATOM 518 CB VAL A 594 1.714 2.417 -1.569 1.00 0.00 C ATOM 519 CG1 VAL A 594 2.842 2.064 -0.611 1.00 0.00 C ATOM 520 CG2 VAL A 594 1.167 1.168 -2.243 1.00 0.00 C ATOM 0 H VAL A 594 -0.289 3.734 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 594 0.221 2.537 -0.020 1.00 0.00 H new ATOM 0 HB VAL A 594 2.118 3.073 -2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 594 3.627 1.536 -1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 594 3.251 2.977 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 594 2.457 1.426 0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 594 1.975 0.650 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 594 0.736 0.508 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 594 0.398 1.450 -2.962 1.00 0.00 H new ATOM 530 N TYR A 595 1.244 4.504 1.076 1.00 0.00 N ATOM 531 CA TYR A 595 1.758 5.679 1.769 1.00 0.00 C ATOM 532 C TYR A 595 3.218 5.483 2.164 1.00 0.00 C ATOM 533 O TYR A 595 3.575 4.473 2.771 1.00 0.00 O ATOM 534 CB TYR A 595 0.919 5.964 3.016 1.00 0.00 C ATOM 535 CG TYR A 595 -0.389 6.666 2.728 1.00 0.00 C ATOM 536 CD1 TYR A 595 -0.418 8.022 2.420 1.00 0.00 C ATOM 537 CD2 TYR A 595 -1.596 5.978 2.771 1.00 0.00 C ATOM 538 CE1 TYR A 595 -1.611 8.671 2.164 1.00 0.00 C ATOM 539 CE2 TYR A 595 -2.794 6.621 2.515 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.795 7.967 2.213 1.00 0.00 C ATOM 541 OH TYR A 595 -3.985 8.610 1.959 1.00 0.00 O ATOM 0 H TYR A 595 0.975 3.737 1.692 1.00 0.00 H new ATOM 0 HA TYR A 595 1.694 6.529 1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 595 0.710 5.023 3.524 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.504 6.575 3.704 1.00 0.00 H new ATOM 0 HD1 TYR A 595 0.508 8.577 2.380 1.00 0.00 H new ATOM 0 HD2 TYR A 595 -1.599 4.924 3.008 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -1.616 9.725 1.927 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -3.723 6.072 2.551 1.00 0.00 H new ATOM 0 HH TYR A 595 -4.724 7.971 2.033 1.00 0.00 H new ATOM 551 N ASN A 596 4.055 6.457 1.822 1.00 0.00 N ATOM 552 CA ASN A 596 5.475 6.394 2.146 1.00 0.00 C ATOM 553 C ASN A 596 5.809 7.360 3.278 1.00 0.00 C ATOM 554 O ASN A 596 6.227 8.494 3.039 1.00 0.00 O ATOM 555 CB ASN A 596 6.317 6.716 0.911 1.00 0.00 C ATOM 556 CG ASN A 596 7.796 6.828 1.229 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.366 5.966 1.897 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.425 7.895 0.749 1.00 0.00 N ATOM 0 H ASN A 596 3.774 7.300 1.320 1.00 0.00 H new ATOM 0 HA ASN A 596 5.708 5.381 2.474 1.00 0.00 H new ATOM 0 HB2 ASN A 596 6.168 5.939 0.161 1.00 0.00 H new ATOM 0 HB3 ASN A 596 5.971 7.652 0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.420 8.024 0.930 1.00 0.00 H new ATOM 0 HD22 ASN A 596 7.912 8.585 0.200 1.00 0.00 H new ATOM 565 N GLY A 597 5.614 6.907 4.512 1.00 0.00 N ATOM 566 CA GLY A 597 5.892 7.744 5.664 1.00 0.00 C ATOM 567 C GLY A 597 4.651 8.448 6.178 1.00 0.00 C ATOM 568 O GLY A 597 3.969 7.947 7.072 1.00 0.00 O ATOM 0 H GLY A 597 5.268 5.974 4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.316 7.133 6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 597 6.644 8.487 5.398 1.00 0.00 H new ATOM 572 N THR A 598 4.355 9.611 5.607 1.00 0.00 N ATOM 573 CA THR A 598 3.187 10.386 6.006 1.00 0.00 C ATOM 574 C THR A 598 2.552 11.077 4.805 1.00 0.00 C ATOM 575 O THR A 598 1.683 11.936 4.956 1.00 0.00 O ATOM 576 CB THR A 598 3.547 11.447 7.063 1.00 0.00 C ATOM 577 OG1 THR A 598 4.762 12.111 6.696 1.00 0.00 O ATOM 578 CG2 THR A 598 3.705 10.813 8.436 1.00 0.00 C ATOM 0 H THR A 598 4.910 10.038 4.865 1.00 0.00 H new ATOM 0 HA THR A 598 2.475 9.683 6.438 1.00 0.00 H new ATOM 0 HB THR A 598 2.735 12.173 7.108 1.00 0.00 H new ATOM 0 HG1 THR A 598 4.983 12.785 7.372 1.00 0.00 H new ATOM 0 HG21 THR A 598 3.959 11.582 9.165 1.00 0.00 H new ATOM 0 HG22 THR A 598 2.770 10.334 8.725 1.00 0.00 H new ATOM 0 HG23 THR A 598 4.500 10.068 8.403 1.00 0.00 H new ATOM 586 N ALA A 599 2.992 10.693 3.609 1.00 0.00 N ATOM 587 CA ALA A 599 2.469 11.273 2.379 1.00 0.00 C ATOM 588 C ALA A 599 2.221 10.197 1.327 1.00 0.00 C ATOM 589 O ALA A 599 2.893 9.166 1.310 1.00 0.00 O ATOM 590 CB ALA A 599 3.429 12.325 1.843 1.00 0.00 C ATOM 0 H ALA A 599 3.710 9.982 3.468 1.00 0.00 H new ATOM 0 HA ALA A 599 1.515 11.748 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 599 3.026 12.750 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 599 3.554 13.115 2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 599 4.395 11.865 1.637 1.00 0.00 H new ATOM 596 N LEU A 600 1.251 10.446 0.452 1.00 0.00 N ATOM 597 CA LEU A 600 0.911 9.500 -0.607 1.00 0.00 C ATOM 598 C LEU A 600 2.106 9.257 -1.523 1.00 0.00 C ATOM 599 O LEU A 600 2.803 10.195 -1.910 1.00 0.00 O ATOM 600 CB LEU A 600 -0.278 10.022 -1.417 1.00 0.00 C ATOM 601 CG LEU A 600 -1.010 8.980 -2.274 1.00 0.00 C ATOM 602 CD1 LEU A 600 -0.396 8.906 -3.662 1.00 0.00 C ATOM 603 CD2 LEU A 600 -1.000 7.609 -1.609 1.00 0.00 C ATOM 0 H LEU A 600 0.686 11.295 0.455 1.00 0.00 H new ATOM 0 HA LEU A 600 0.637 8.552 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.996 10.467 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.074 10.820 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 600 -2.049 9.296 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -0.927 8.162 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -0.473 9.879 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 600 0.654 8.623 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -1.526 6.894 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 600 0.030 7.280 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 600 -1.496 7.671 -0.640 1.00 0.00 H new ATOM 615 N ALA A 601 2.339 7.992 -1.863 1.00 0.00 N ATOM 616 CA ALA A 601 3.452 7.626 -2.731 1.00 0.00 C ATOM 617 C ALA A 601 2.961 7.089 -4.075 1.00 0.00 C ATOM 618 O ALA A 601 2.569 7.859 -4.952 1.00 0.00 O ATOM 619 CB ALA A 601 4.345 6.607 -2.038 1.00 0.00 C ATOM 0 H ALA A 601 1.772 7.204 -1.550 1.00 0.00 H new ATOM 0 HA ALA A 601 4.034 8.526 -2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.173 6.341 -2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 601 4.738 7.035 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 601 3.765 5.714 -1.805 1.00 0.00 H new ATOM 625 N THR A 602 2.986 5.766 -4.234 1.00 0.00 N ATOM 626 CA THR A 602 2.545 5.140 -5.475 1.00 0.00 C ATOM 627 C THR A 602 1.050 4.840 -5.447 1.00 0.00 C ATOM 628 O THR A 602 0.380 5.068 -4.439 1.00 0.00 O ATOM 629 CB THR A 602 3.318 3.835 -5.754 1.00 0.00 C ATOM 630 OG1 THR A 602 3.058 3.387 -7.091 1.00 0.00 O ATOM 631 CG2 THR A 602 2.923 2.748 -4.768 1.00 0.00 C ATOM 0 H THR A 602 3.306 5.111 -3.520 1.00 0.00 H new ATOM 0 HA THR A 602 2.750 5.852 -6.274 1.00 0.00 H new ATOM 0 HB THR A 602 4.382 4.040 -5.638 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.748 2.745 -7.361 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.482 1.838 -4.986 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.148 3.078 -3.754 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.855 2.548 -4.856 1.00 0.00 H new ATOM 639 N THR A 603 0.536 4.325 -6.559 1.00 0.00 N ATOM 640 CA THR A 603 -0.877 3.991 -6.668 1.00 0.00 C ATOM 641 C THR A 603 -1.071 2.688 -7.435 1.00 0.00 C ATOM 642 O THR A 603 -0.381 2.432 -8.423 1.00 0.00 O ATOM 643 CB THR A 603 -1.668 5.112 -7.369 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.141 6.392 -6.997 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.143 5.041 -7.006 1.00 0.00 C ATOM 0 H THR A 603 1.080 4.130 -7.399 1.00 0.00 H new ATOM 0 HA THR A 603 -1.256 3.874 -5.653 1.00 0.00 H new ATOM 0 HB THR A 603 -1.568 4.978 -8.446 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.649 7.098 -7.448 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.681 5.842 -7.513 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.548 4.078 -7.317 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.258 5.152 -5.928 1.00 0.00 H new ATOM 653 N VAL A 604 -2.007 1.867 -6.974 1.00 0.00 N ATOM 654 CA VAL A 604 -2.281 0.591 -7.621 1.00 0.00 C ATOM 655 C VAL A 604 -3.776 0.294 -7.660 1.00 0.00 C ATOM 656 O VAL A 604 -4.585 1.063 -7.141 1.00 0.00 O ATOM 657 CB VAL A 604 -1.558 -0.565 -6.907 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.089 -0.596 -7.301 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.712 -0.440 -5.398 1.00 0.00 C ATOM 0 H VAL A 604 -2.587 2.061 -6.158 1.00 0.00 H new ATOM 0 HA VAL A 604 -1.908 0.672 -8.642 1.00 0.00 H new ATOM 0 HB VAL A 604 -2.014 -1.505 -7.218 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.408 -1.419 -6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -0.004 -0.736 -8.379 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.383 0.345 -7.020 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.194 -1.266 -4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.282 0.505 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.770 -0.469 -5.137 1.00 0.00 H new ATOM 669 N THR A 605 -4.130 -0.827 -8.279 1.00 0.00 N ATOM 670 CA THR A 605 -5.525 -1.234 -8.389 1.00 0.00 C ATOM 671 C THR A 605 -5.661 -2.750 -8.300 1.00 0.00 C ATOM 672 O THR A 605 -6.758 -3.293 -8.432 1.00 0.00 O ATOM 673 CB THR A 605 -6.148 -0.748 -9.711 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.177 -0.814 -10.762 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.660 0.678 -9.577 1.00 0.00 C ATOM 0 H THR A 605 -3.468 -1.471 -8.713 1.00 0.00 H new ATOM 0 HA THR A 605 -6.058 -0.775 -7.556 1.00 0.00 H new ATOM 0 HB THR A 605 -6.990 -1.398 -9.951 1.00 0.00 H new ATOM 0 HG1 THR A 605 -5.580 -0.505 -11.600 1.00 0.00 H new ATOM 0 HG21 THR A 605 -7.095 0.999 -10.523 1.00 0.00 H new ATOM 0 HG22 THR A 605 -7.419 0.720 -8.796 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.833 1.338 -9.316 1.00 0.00 H new ATOM 683 N GLY A 606 -4.537 -3.427 -8.075 1.00 0.00 N ATOM 684 CA GLY A 606 -4.549 -4.875 -7.971 1.00 0.00 C ATOM 685 C GLY A 606 -4.268 -5.359 -6.562 1.00 0.00 C ATOM 686 O GLY A 606 -4.864 -4.871 -5.601 1.00 0.00 O ATOM 0 H GLY A 606 -3.619 -2.998 -7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.520 -5.251 -8.294 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -3.804 -5.291 -8.650 1.00 0.00 H new ATOM 690 N THR A 607 -3.361 -6.323 -6.438 1.00 0.00 N ATOM 691 CA THR A 607 -3.005 -6.876 -5.137 1.00 0.00 C ATOM 692 C THR A 607 -1.543 -6.607 -4.795 1.00 0.00 C ATOM 693 O THR A 607 -1.040 -7.075 -3.772 1.00 0.00 O ATOM 694 CB THR A 607 -3.257 -8.394 -5.084 1.00 0.00 C ATOM 695 OG1 THR A 607 -3.493 -8.898 -6.405 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.449 -8.713 -4.195 1.00 0.00 C ATOM 0 H THR A 607 -2.859 -6.737 -7.224 1.00 0.00 H new ATOM 0 HA THR A 607 -3.641 -6.379 -4.405 1.00 0.00 H new ATOM 0 HB THR A 607 -2.372 -8.873 -4.665 1.00 0.00 H new ATOM 0 HG1 THR A 607 -3.651 -9.864 -6.363 1.00 0.00 H new ATOM 0 HG21 THR A 607 -4.608 -9.791 -4.173 1.00 0.00 H new ATOM 0 HG22 THR A 607 -4.256 -8.354 -3.184 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.339 -8.223 -4.590 1.00 0.00 H new ATOM 704 N THR A 608 -0.864 -5.852 -5.653 1.00 0.00 N ATOM 705 CA THR A 608 0.541 -5.525 -5.434 1.00 0.00 C ATOM 706 C THR A 608 0.786 -4.026 -5.572 1.00 0.00 C ATOM 707 O THR A 608 -0.144 -3.256 -5.817 1.00 0.00 O ATOM 708 CB THR A 608 1.455 -6.275 -6.420 1.00 0.00 C ATOM 709 OG1 THR A 608 1.253 -5.781 -7.750 1.00 0.00 O ATOM 710 CG2 THR A 608 1.182 -7.770 -6.381 1.00 0.00 C ATOM 0 H THR A 608 -1.263 -5.456 -6.504 1.00 0.00 H new ATOM 0 HA THR A 608 0.782 -5.838 -4.418 1.00 0.00 H new ATOM 0 HB THR A 608 2.490 -6.103 -6.124 1.00 0.00 H new ATOM 0 HG1 THR A 608 1.839 -6.262 -8.370 1.00 0.00 H new ATOM 0 HG21 THR A 608 1.840 -8.278 -7.086 1.00 0.00 H new ATOM 0 HG22 THR A 608 1.367 -8.147 -5.375 1.00 0.00 H new ATOM 0 HG23 THR A 608 0.143 -7.957 -6.654 1.00 0.00 H new ATOM 718 N ALA A 609 2.042 -3.619 -5.412 1.00 0.00 N ATOM 719 CA ALA A 609 2.413 -2.211 -5.517 1.00 0.00 C ATOM 720 C ALA A 609 3.872 -2.060 -5.935 1.00 0.00 C ATOM 721 O ALA A 609 4.716 -2.888 -5.591 1.00 0.00 O ATOM 722 CB ALA A 609 2.167 -1.504 -4.194 1.00 0.00 C ATOM 0 H ALA A 609 2.821 -4.245 -5.209 1.00 0.00 H new ATOM 0 HA ALA A 609 1.792 -1.751 -6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.447 -0.455 -4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 609 1.111 -1.576 -3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.766 -1.974 -3.414 1.00 0.00 H new ATOM 728 N THR A 610 4.162 -0.996 -6.679 1.00 0.00 N ATOM 729 CA THR A 610 5.520 -0.735 -7.145 1.00 0.00 C ATOM 730 C THR A 610 5.962 0.682 -6.790 1.00 0.00 C ATOM 731 O THR A 610 5.320 1.658 -7.178 1.00 0.00 O ATOM 732 CB THR A 610 5.639 -0.929 -8.667 1.00 0.00 C ATOM 733 OG1 THR A 610 4.777 -1.990 -9.095 1.00 0.00 O ATOM 734 CG2 THR A 610 7.074 -1.247 -9.060 1.00 0.00 C ATOM 0 H THR A 610 3.475 -0.301 -6.972 1.00 0.00 H new ATOM 0 HA THR A 610 6.169 -1.452 -6.642 1.00 0.00 H new ATOM 0 HB THR A 610 5.341 -0.000 -9.154 1.00 0.00 H new ATOM 0 HG1 THR A 610 4.857 -2.106 -10.065 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.134 -1.380 -10.140 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.724 -0.426 -8.759 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.393 -2.163 -8.563 1.00 0.00 H new ATOM 742 N ILE A 611 7.064 0.785 -6.053 1.00 0.00 N ATOM 743 CA ILE A 611 7.596 2.081 -5.648 1.00 0.00 C ATOM 744 C ILE A 611 9.026 2.264 -6.146 1.00 0.00 C ATOM 745 O ILE A 611 9.925 1.509 -5.774 1.00 0.00 O ATOM 746 CB ILE A 611 7.569 2.246 -4.114 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.151 2.034 -3.580 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.085 3.621 -3.718 1.00 0.00 C ATOM 749 CD1 ILE A 611 6.075 1.034 -2.447 1.00 0.00 C ATOM 0 H ILE A 611 7.606 -0.014 -5.724 1.00 0.00 H new ATOM 0 HA ILE A 611 6.957 2.842 -6.096 1.00 0.00 H new ATOM 0 HB ILE A 611 8.222 1.492 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 611 5.754 2.990 -3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.511 1.696 -4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.059 3.721 -2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.110 3.740 -4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.456 4.389 -4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 611 5.040 0.934 -2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.442 0.067 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.688 1.380 -1.615 1.00 0.00 H new ATOM 761 N SER A 612 9.228 3.272 -6.990 1.00 0.00 N ATOM 762 CA SER A 612 10.549 3.556 -7.542 1.00 0.00 C ATOM 763 C SER A 612 11.187 4.750 -6.838 1.00 0.00 C ATOM 764 O SER A 612 10.563 5.391 -5.992 1.00 0.00 O ATOM 765 CB SER A 612 10.452 3.829 -9.044 1.00 0.00 C ATOM 766 OG SER A 612 9.507 2.970 -9.659 1.00 0.00 O ATOM 0 H SER A 612 8.494 3.906 -7.306 1.00 0.00 H new ATOM 0 HA SER A 612 11.178 2.681 -7.379 1.00 0.00 H new ATOM 0 HB2 SER A 612 10.166 4.868 -9.210 1.00 0.00 H new ATOM 0 HB3 SER A 612 11.429 3.690 -9.506 1.00 0.00 H new ATOM 0 HG SER A 612 9.463 3.166 -10.618 1.00 0.00 H new ATOM 772 N GLY A 613 12.435 5.040 -7.192 1.00 0.00 N ATOM 773 CA GLY A 613 13.140 6.154 -6.585 1.00 0.00 C ATOM 774 C GLY A 613 13.374 5.953 -5.102 1.00 0.00 C ATOM 775 O GLY A 613 12.757 6.624 -4.273 1.00 0.00 O ATOM 0 H GLY A 613 12.971 4.523 -7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 613 14.099 6.289 -7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.568 7.069 -6.739 1.00 0.00 H new ATOM 779 N LEU A 614 14.266 5.027 -4.764 1.00 0.00 N ATOM 780 CA LEU A 614 14.579 4.738 -3.369 1.00 0.00 C ATOM 781 C LEU A 614 16.082 4.576 -3.166 1.00 0.00 C ATOM 782 O LEU A 614 16.716 3.728 -3.798 1.00 0.00 O ATOM 783 CB LEU A 614 13.853 3.472 -2.911 1.00 0.00 C ATOM 784 CG LEU A 614 12.330 3.565 -2.897 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.707 2.207 -3.185 1.00 0.00 C ATOM 786 CD2 LEU A 614 11.851 4.097 -1.560 1.00 0.00 C ATOM 0 H LEU A 614 14.785 4.464 -5.438 1.00 0.00 H new ATOM 0 HA LEU A 614 14.239 5.582 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 614 14.145 2.649 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.195 3.219 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 614 12.017 4.256 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.621 2.295 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 614 12.030 1.859 -4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 614 12.024 1.493 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.763 4.159 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 614 12.175 3.426 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 614 12.271 5.089 -1.392 1.00 0.00 H new ATOM 798 N ALA A 615 16.646 5.390 -2.278 1.00 0.00 N ATOM 799 CA ALA A 615 18.074 5.336 -1.987 1.00 0.00 C ATOM 800 C ALA A 615 18.417 4.100 -1.161 1.00 0.00 C ATOM 801 O ALA A 615 17.640 3.681 -0.304 1.00 0.00 O ATOM 802 CB ALA A 615 18.511 6.598 -1.260 1.00 0.00 C ATOM 0 H ALA A 615 16.135 6.095 -1.747 1.00 0.00 H new ATOM 0 HA ALA A 615 18.612 5.270 -2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.579 6.545 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 615 18.308 7.467 -1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.960 6.688 -0.324 1.00 0.00 H new ATOM 808 N ALA A 616 19.583 3.520 -1.427 1.00 0.00 N ATOM 809 CA ALA A 616 20.029 2.329 -0.712 1.00 0.00 C ATOM 810 C ALA A 616 20.482 2.668 0.706 1.00 0.00 C ATOM 811 O ALA A 616 20.775 3.824 1.015 1.00 0.00 O ATOM 812 CB ALA A 616 21.154 1.649 -1.476 1.00 0.00 C ATOM 0 H ALA A 616 20.237 3.856 -2.134 1.00 0.00 H new ATOM 0 HA ALA A 616 19.183 1.645 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.478 0.762 -0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.799 1.359 -2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.992 2.338 -1.579 1.00 0.00 H new ATOM 818 N ASP A 617 20.540 1.647 1.559 1.00 0.00 N ATOM 819 CA ASP A 617 20.962 1.821 2.947 1.00 0.00 C ATOM 820 C ASP A 617 20.110 2.870 3.658 1.00 0.00 C ATOM 821 O ASP A 617 20.632 3.723 4.376 1.00 0.00 O ATOM 822 CB ASP A 617 22.438 2.219 3.010 1.00 0.00 C ATOM 823 CG ASP A 617 23.233 1.350 3.965 1.00 0.00 C ATOM 824 OD1 ASP A 617 23.531 0.192 3.605 1.00 0.00 O ATOM 825 OD2 ASP A 617 23.555 1.827 5.074 1.00 0.00 O ATOM 0 H ASP A 617 20.299 0.687 1.312 1.00 0.00 H new ATOM 0 HA ASP A 617 20.826 0.867 3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.873 2.149 2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.517 3.261 3.320 1.00 0.00 H new ATOM 830 N THR A 618 18.799 2.801 3.455 1.00 0.00 N ATOM 831 CA THR A 618 17.880 3.746 4.080 1.00 0.00 C ATOM 832 C THR A 618 16.607 3.051 4.554 1.00 0.00 C ATOM 833 O THR A 618 16.200 2.032 3.996 1.00 0.00 O ATOM 834 CB THR A 618 17.496 4.880 3.110 1.00 0.00 C ATOM 835 OG1 THR A 618 18.598 5.177 2.242 1.00 0.00 O ATOM 836 CG2 THR A 618 17.093 6.133 3.872 1.00 0.00 C ATOM 0 H THR A 618 18.349 2.102 2.864 1.00 0.00 H new ATOM 0 HA THR A 618 18.401 4.168 4.939 1.00 0.00 H new ATOM 0 HB THR A 618 16.645 4.546 2.516 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.462 4.735 1.378 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.827 6.919 3.165 1.00 0.00 H new ATOM 0 HG22 THR A 618 16.236 5.912 4.509 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.927 6.468 4.489 1.00 0.00 H new ATOM 844 N SER A 619 15.982 3.612 5.585 1.00 0.00 N ATOM 845 CA SER A 619 14.751 3.050 6.132 1.00 0.00 C ATOM 846 C SER A 619 13.533 3.629 5.422 1.00 0.00 C ATOM 847 O SER A 619 13.442 4.838 5.214 1.00 0.00 O ATOM 848 CB SER A 619 14.659 3.328 7.634 1.00 0.00 C ATOM 849 OG SER A 619 13.772 2.420 8.267 1.00 0.00 O ATOM 0 H SER A 619 16.307 4.455 6.058 1.00 0.00 H new ATOM 0 HA SER A 619 14.769 1.972 5.972 1.00 0.00 H new ATOM 0 HB2 SER A 619 15.649 3.248 8.083 1.00 0.00 H new ATOM 0 HB3 SER A 619 14.317 4.350 7.798 1.00 0.00 H new ATOM 0 HG SER A 619 13.732 2.617 9.226 1.00 0.00 H new ATOM 855 N TYR A 620 12.600 2.760 5.050 1.00 0.00 N ATOM 856 CA TYR A 620 11.390 3.192 4.360 1.00 0.00 C ATOM 857 C TYR A 620 10.159 2.470 4.898 1.00 0.00 C ATOM 858 O TYR A 620 10.091 1.240 4.882 1.00 0.00 O ATOM 859 CB TYR A 620 11.520 2.946 2.856 1.00 0.00 C ATOM 860 CG TYR A 620 12.481 3.890 2.168 1.00 0.00 C ATOM 861 CD1 TYR A 620 12.232 5.256 2.124 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.637 3.414 1.562 1.00 0.00 C ATOM 863 CE1 TYR A 620 13.107 6.121 1.495 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.517 4.271 0.932 1.00 0.00 C ATOM 865 CZ TYR A 620 14.248 5.624 0.900 1.00 0.00 C ATOM 866 OH TYR A 620 15.122 6.481 0.272 1.00 0.00 O ATOM 0 H TYR A 620 12.658 1.755 5.214 1.00 0.00 H new ATOM 0 HA TYR A 620 11.267 4.260 4.541 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.851 1.921 2.691 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.537 3.042 2.395 1.00 0.00 H new ATOM 0 HD1 TYR A 620 11.340 5.648 2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.851 2.356 1.584 1.00 0.00 H new ATOM 0 HE1 TYR A 620 12.899 7.180 1.469 1.00 0.00 H new ATOM 0 HE2 TYR A 620 15.412 3.884 0.466 1.00 0.00 H new ATOM 0 HH TYR A 620 16.033 6.311 0.591 1.00 0.00 H new ATOM 876 N THR A 621 9.186 3.245 5.367 1.00 0.00 N ATOM 877 CA THR A 621 7.950 2.688 5.902 1.00 0.00 C ATOM 878 C THR A 621 6.817 2.832 4.893 1.00 0.00 C ATOM 879 O THR A 621 6.527 3.934 4.429 1.00 0.00 O ATOM 880 CB THR A 621 7.546 3.378 7.216 1.00 0.00 C ATOM 881 OG1 THR A 621 7.238 4.756 6.973 1.00 0.00 O ATOM 882 CG2 THR A 621 8.663 3.278 8.243 1.00 0.00 C ATOM 0 H THR A 621 9.231 4.264 5.387 1.00 0.00 H new ATOM 0 HA THR A 621 8.130 1.632 6.102 1.00 0.00 H new ATOM 0 HB THR A 621 6.664 2.873 7.609 1.00 0.00 H new ATOM 0 HG1 THR A 621 6.916 4.862 6.053 1.00 0.00 H new ATOM 0 HG21 THR A 621 8.356 3.773 9.164 1.00 0.00 H new ATOM 0 HG22 THR A 621 8.876 2.229 8.448 1.00 0.00 H new ATOM 0 HG23 THR A 621 9.559 3.761 7.854 1.00 0.00 H new ATOM 890 N PHE A 622 6.186 1.715 4.546 1.00 0.00 N ATOM 891 CA PHE A 622 5.095 1.732 3.579 1.00 0.00 C ATOM 892 C PHE A 622 3.792 1.227 4.189 1.00 0.00 C ATOM 893 O PHE A 622 3.790 0.568 5.229 1.00 0.00 O ATOM 894 CB PHE A 622 5.457 0.887 2.358 1.00 0.00 C ATOM 895 CG PHE A 622 6.595 1.445 1.549 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.557 2.749 1.077 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.704 0.665 1.261 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.604 3.262 0.333 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.752 1.172 0.518 1.00 0.00 C ATOM 900 CZ PHE A 622 8.702 2.474 0.054 1.00 0.00 C ATOM 0 H PHE A 622 6.410 0.792 4.918 1.00 0.00 H new ATOM 0 HA PHE A 622 4.944 2.767 3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.717 -0.119 2.688 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.579 0.795 1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.700 3.370 1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.749 -0.352 1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.562 4.279 -0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.609 0.553 0.300 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.521 2.873 -0.526 1.00 0.00 H new ATOM 910 N THR A 623 2.687 1.542 3.519 1.00 0.00 N ATOM 911 CA THR A 623 1.361 1.128 3.965 1.00 0.00 C ATOM 912 C THR A 623 0.399 1.073 2.782 1.00 0.00 C ATOM 913 O THR A 623 0.784 1.367 1.652 1.00 0.00 O ATOM 914 CB THR A 623 0.795 2.092 5.026 1.00 0.00 C ATOM 915 OG1 THR A 623 1.294 3.415 4.803 1.00 0.00 O ATOM 916 CG2 THR A 623 1.167 1.636 6.430 1.00 0.00 C ATOM 0 H THR A 623 2.685 2.088 2.657 1.00 0.00 H new ATOM 0 HA THR A 623 1.462 0.138 4.410 1.00 0.00 H new ATOM 0 HB THR A 623 -0.291 2.093 4.938 1.00 0.00 H new ATOM 0 HG1 THR A 623 0.928 4.021 5.481 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.756 2.333 7.160 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.760 0.641 6.609 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.252 1.607 6.528 1.00 0.00 H new ATOM 924 N VAL A 624 -0.850 0.698 3.042 1.00 0.00 N ATOM 925 CA VAL A 624 -1.847 0.615 1.979 1.00 0.00 C ATOM 926 C VAL A 624 -3.195 1.165 2.430 1.00 0.00 C ATOM 927 O VAL A 624 -3.562 1.063 3.601 1.00 0.00 O ATOM 928 CB VAL A 624 -2.035 -0.829 1.474 1.00 0.00 C ATOM 929 CG1 VAL A 624 -1.582 -0.944 0.028 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.283 -1.816 2.355 1.00 0.00 C ATOM 0 H VAL A 624 -1.194 0.449 3.969 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.467 1.226 1.160 1.00 0.00 H new ATOM 0 HB VAL A 624 -3.095 -1.076 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.720 -1.969 -0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -2.172 -0.270 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 624 -0.528 -0.676 -0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.432 -2.828 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.220 -1.577 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -1.658 -1.751 3.376 1.00 0.00 H new ATOM 940 N LYS A 625 -3.921 1.757 1.487 1.00 0.00 N ATOM 941 CA LYS A 625 -5.224 2.339 1.774 1.00 0.00 C ATOM 942 C LYS A 625 -6.210 2.085 0.636 1.00 0.00 C ATOM 943 O LYS A 625 -5.981 2.505 -0.499 1.00 0.00 O ATOM 944 CB LYS A 625 -5.077 3.837 2.009 1.00 0.00 C ATOM 945 CG LYS A 625 -4.932 4.197 3.474 1.00 0.00 C ATOM 946 CD LYS A 625 -6.077 5.069 3.936 1.00 0.00 C ATOM 947 CE LYS A 625 -5.860 5.567 5.354 1.00 0.00 C ATOM 948 NZ LYS A 625 -4.862 6.670 5.408 1.00 0.00 N ATOM 0 H LYS A 625 -3.626 1.846 0.515 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.618 1.864 2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.206 4.201 1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -5.947 4.350 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.899 3.287 4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -3.988 4.718 3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.183 5.920 3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -7.008 4.505 3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -6.808 5.914 5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -5.523 4.742 5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -4.254 6.547 6.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -4.277 6.652 4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -5.356 7.583 5.471 1.00 0.00 H new ATOM 962 N ALA A 626 -7.310 1.405 0.946 1.00 0.00 N ATOM 963 CA ALA A 626 -8.331 1.109 -0.055 1.00 0.00 C ATOM 964 C ALA A 626 -9.230 2.320 -0.280 1.00 0.00 C ATOM 965 O ALA A 626 -9.611 3.004 0.670 1.00 0.00 O ATOM 966 CB ALA A 626 -9.160 -0.095 0.371 1.00 0.00 C ATOM 0 H ALA A 626 -7.517 1.049 1.879 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.832 0.872 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.916 -0.302 -0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.510 -0.963 0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.648 0.117 1.322 1.00 0.00 H new ATOM 972 N LYS A 627 -9.563 2.586 -1.538 1.00 0.00 N ATOM 973 CA LYS A 627 -10.414 3.723 -1.877 1.00 0.00 C ATOM 974 C LYS A 627 -11.632 3.283 -2.683 1.00 0.00 C ATOM 975 O LYS A 627 -11.652 2.192 -3.253 1.00 0.00 O ATOM 976 CB LYS A 627 -9.619 4.767 -2.663 1.00 0.00 C ATOM 977 CG LYS A 627 -8.620 4.166 -3.638 1.00 0.00 C ATOM 978 CD LYS A 627 -9.142 4.203 -5.065 1.00 0.00 C ATOM 979 CE LYS A 627 -8.331 5.154 -5.931 1.00 0.00 C ATOM 980 NZ LYS A 627 -7.905 4.517 -7.207 1.00 0.00 N ATOM 0 H LYS A 627 -9.258 2.032 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.764 4.166 -0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.314 5.402 -3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -9.087 5.410 -1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.679 4.713 -3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -8.408 3.135 -3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -9.107 3.201 -5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -10.187 4.513 -5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -8.925 6.042 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -7.451 5.486 -5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -7.355 5.198 -7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -7.317 3.684 -7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -8.745 4.223 -7.745 1.00 0.00 H new ATOM 994 N ASP A 628 -12.644 4.144 -2.725 1.00 0.00 N ATOM 995 CA ASP A 628 -13.870 3.855 -3.460 1.00 0.00 C ATOM 996 C ASP A 628 -14.154 4.950 -4.486 1.00 0.00 C ATOM 997 O ASP A 628 -13.707 6.088 -4.332 1.00 0.00 O ATOM 998 CB ASP A 628 -15.048 3.714 -2.486 1.00 0.00 C ATOM 999 CG ASP A 628 -16.233 4.580 -2.866 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -16.241 5.771 -2.491 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -17.153 4.067 -3.537 1.00 0.00 O ATOM 0 H ASP A 628 -12.639 5.050 -2.257 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.741 2.913 -3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.362 2.671 -2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -14.717 3.980 -1.482 1.00 0.00 H new ATOM 1006 N ALA A 629 -14.897 4.599 -5.530 1.00 0.00 N ATOM 1007 CA ALA A 629 -15.238 5.550 -6.582 1.00 0.00 C ATOM 1008 C ALA A 629 -16.479 6.358 -6.214 1.00 0.00 C ATOM 1009 O ALA A 629 -17.428 6.447 -6.995 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.448 4.824 -7.902 1.00 0.00 C ATOM 0 H ALA A 629 -15.275 3.662 -5.670 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.406 6.246 -6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -15.702 5.546 -8.678 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -14.533 4.300 -8.179 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.260 4.104 -7.796 1.00 0.00 H new ATOM 1016 N ALA A 630 -16.464 6.949 -5.023 1.00 0.00 N ATOM 1017 CA ALA A 630 -17.587 7.753 -4.553 1.00 0.00 C ATOM 1018 C ALA A 630 -17.160 8.693 -3.433 1.00 0.00 C ATOM 1019 O ALA A 630 -17.983 9.412 -2.864 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.722 6.853 -4.085 1.00 0.00 C ATOM 0 H ALA A 630 -15.686 6.886 -4.366 1.00 0.00 H new ATOM 0 HA ALA A 630 -17.939 8.361 -5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.553 7.467 -3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -19.055 6.227 -4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.372 6.220 -3.269 1.00 0.00 H new ATOM 1026 N GLY A 631 -15.868 8.683 -3.119 1.00 0.00 N ATOM 1027 CA GLY A 631 -15.352 9.540 -2.067 1.00 0.00 C ATOM 1028 C GLY A 631 -15.330 8.853 -0.716 1.00 0.00 C ATOM 1029 O GLY A 631 -15.694 9.450 0.298 1.00 0.00 O ATOM 0 H GLY A 631 -15.169 8.096 -3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -14.342 9.859 -2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -15.964 10.440 -2.003 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.902 7.594 -0.702 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.832 6.822 0.534 1.00 0.00 C ATOM 1035 C ASN A 632 -13.504 6.080 0.634 1.00 0.00 C ATOM 1036 O ASN A 632 -13.181 5.249 -0.216 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.992 5.827 0.605 1.00 0.00 C ATOM 1038 CG ASN A 632 -17.227 6.424 1.250 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -18.289 6.504 0.633 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -17.094 6.848 2.503 1.00 0.00 N ATOM 0 H ASN A 632 -14.598 7.087 -1.533 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.906 7.515 1.372 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -16.239 5.488 -0.401 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.679 4.948 1.169 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -17.891 7.259 2.990 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -16.195 6.763 2.978 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.735 6.385 1.675 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.441 5.746 1.881 1.00 0.00 C ATOM 1049 C VAL A 633 -11.401 4.986 3.205 1.00 0.00 C ATOM 1050 O VAL A 633 -12.048 5.374 4.178 1.00 0.00 O ATOM 1051 CB VAL A 633 -10.295 6.778 1.845 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -10.263 7.591 3.127 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -8.961 6.088 1.607 1.00 0.00 C ATOM 0 H VAL A 633 -12.986 7.070 2.388 1.00 0.00 H new ATOM 0 HA VAL A 633 -11.303 5.037 1.064 1.00 0.00 H new ATOM 0 HB VAL A 633 -10.476 7.462 1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -9.447 8.312 3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -11.209 8.120 3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -10.110 6.925 3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -8.165 6.832 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -8.771 5.377 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -8.990 5.559 0.654 1.00 0.00 H new ATOM 1063 N SER A 634 -10.636 3.899 3.230 1.00 0.00 N ATOM 1064 CA SER A 634 -10.503 3.076 4.428 1.00 0.00 C ATOM 1065 C SER A 634 -9.340 3.558 5.289 1.00 0.00 C ATOM 1066 O SER A 634 -8.818 4.654 5.084 1.00 0.00 O ATOM 1067 CB SER A 634 -10.295 1.610 4.040 1.00 0.00 C ATOM 1068 OG SER A 634 -9.292 1.485 3.046 1.00 0.00 O ATOM 0 H SER A 634 -10.097 3.566 2.431 1.00 0.00 H new ATOM 0 HA SER A 634 -11.422 3.165 5.008 1.00 0.00 H new ATOM 0 HB2 SER A 634 -10.013 1.033 4.921 1.00 0.00 H new ATOM 0 HB3 SER A 634 -11.231 1.191 3.671 1.00 0.00 H new ATOM 0 HG SER A 634 -8.489 1.969 3.329 1.00 0.00 H new ATOM 1074 N ALA A 635 -8.932 2.731 6.248 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.826 3.075 7.131 1.00 0.00 C ATOM 1076 C ALA A 635 -6.501 2.591 6.550 1.00 0.00 C ATOM 1077 O ALA A 635 -6.472 1.938 5.506 1.00 0.00 O ATOM 1078 CB ALA A 635 -8.049 2.481 8.514 1.00 0.00 C ATOM 0 H ALA A 635 -9.351 1.820 6.432 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.783 4.160 7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.214 2.746 9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -8.975 2.875 8.934 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.118 1.396 8.437 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.407 2.916 7.229 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.081 2.513 6.777 1.00 0.00 C ATOM 1086 C ALA A 636 -3.693 1.159 7.358 1.00 0.00 C ATOM 1087 O ALA A 636 -4.075 0.823 8.480 1.00 0.00 O ATOM 1088 CB ALA A 636 -3.051 3.567 7.154 1.00 0.00 C ATOM 0 H ALA A 636 -5.412 3.457 8.094 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.107 2.420 5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.066 3.252 6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.313 4.516 6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -3.035 3.689 8.237 1.00 0.00 H new ATOM 1094 N SER A 637 -2.936 0.383 6.589 1.00 0.00 N ATOM 1095 CA SER A 637 -2.498 -0.937 7.028 1.00 0.00 C ATOM 1096 C SER A 637 -1.284 -0.830 7.944 1.00 0.00 C ATOM 1097 O SER A 637 -0.863 0.268 8.308 1.00 0.00 O ATOM 1098 CB SER A 637 -2.161 -1.813 5.822 1.00 0.00 C ATOM 1099 OG SER A 637 -0.823 -1.606 5.400 1.00 0.00 O ATOM 0 H SER A 637 -2.613 0.646 5.658 1.00 0.00 H new ATOM 0 HA SER A 637 -3.315 -1.395 7.586 1.00 0.00 H new ATOM 0 HB2 SER A 637 -2.307 -2.862 6.078 1.00 0.00 H new ATOM 0 HB3 SER A 637 -2.843 -1.587 5.002 1.00 0.00 H new ATOM 0 HG SER A 637 -0.253 -2.318 5.759 1.00 0.00 H new ATOM 1105 N ASN A 638 -0.722 -1.979 8.307 1.00 0.00 N ATOM 1106 CA ASN A 638 0.449 -2.015 9.173 1.00 0.00 C ATOM 1107 C ASN A 638 1.660 -1.426 8.460 1.00 0.00 C ATOM 1108 O ASN A 638 1.799 -1.556 7.244 1.00 0.00 O ATOM 1109 CB ASN A 638 0.745 -3.451 9.605 1.00 0.00 C ATOM 1110 CG ASN A 638 0.709 -3.623 11.110 1.00 0.00 C ATOM 1111 OD1 ASN A 638 -0.168 -4.298 11.648 1.00 0.00 O ATOM 1112 ND2 ASN A 638 1.665 -3.010 11.799 1.00 0.00 N ATOM 0 H ASN A 638 -1.059 -2.896 8.015 1.00 0.00 H new ATOM 0 HA ASN A 638 0.239 -1.415 10.059 1.00 0.00 H new ATOM 0 HB2 ASN A 638 0.017 -4.122 9.148 1.00 0.00 H new ATOM 0 HB3 ASN A 638 1.726 -3.744 9.232 1.00 0.00 H new ATOM 0 HD21 ASN A 638 1.692 -3.089 12.816 1.00 0.00 H new ATOM 0 HD22 ASN A 638 2.373 -2.460 11.311 1.00 0.00 H new ATOM 1119 N ALA A 639 2.534 -0.775 9.220 1.00 0.00 N ATOM 1120 CA ALA A 639 3.730 -0.167 8.653 1.00 0.00 C ATOM 1121 C ALA A 639 4.819 -1.206 8.422 1.00 0.00 C ATOM 1122 O ALA A 639 5.233 -1.904 9.349 1.00 0.00 O ATOM 1123 CB ALA A 639 4.238 0.946 9.557 1.00 0.00 C ATOM 0 H ALA A 639 2.436 -0.655 10.228 1.00 0.00 H new ATOM 0 HA ALA A 639 3.465 0.261 7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 639 5.132 1.390 9.120 1.00 0.00 H new ATOM 0 HB2 ALA A 639 3.467 1.710 9.662 1.00 0.00 H new ATOM 0 HB3 ALA A 639 4.479 0.536 10.538 1.00 0.00 H new ATOM 1129 N VAL A 640 5.278 -1.304 7.179 1.00 0.00 N ATOM 1130 CA VAL A 640 6.321 -2.256 6.819 1.00 0.00 C ATOM 1131 C VAL A 640 7.679 -1.566 6.716 1.00 0.00 C ATOM 1132 O VAL A 640 7.940 -0.821 5.770 1.00 0.00 O ATOM 1133 CB VAL A 640 5.998 -2.963 5.486 1.00 0.00 C ATOM 1134 CG1 VAL A 640 4.911 -4.007 5.688 1.00 0.00 C ATOM 1135 CG2 VAL A 640 5.581 -1.951 4.429 1.00 0.00 C ATOM 0 H VAL A 640 4.943 -0.734 6.402 1.00 0.00 H new ATOM 0 HA VAL A 640 6.362 -3.004 7.610 1.00 0.00 H new ATOM 0 HB VAL A 640 6.899 -3.468 5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 640 4.695 -4.496 4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 640 5.250 -4.750 6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 640 4.008 -3.524 6.061 1.00 0.00 H new ATOM 0 HG21 VAL A 640 5.358 -2.470 3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 640 4.694 -1.415 4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 640 6.392 -1.242 4.264 1.00 0.00 H new ATOM 1145 N SER A 641 8.538 -1.814 7.701 1.00 0.00 N ATOM 1146 CA SER A 641 9.867 -1.214 7.726 1.00 0.00 C ATOM 1147 C SER A 641 10.844 -2.017 6.874 1.00 0.00 C ATOM 1148 O SER A 641 11.432 -2.994 7.340 1.00 0.00 O ATOM 1149 CB SER A 641 10.381 -1.120 9.164 1.00 0.00 C ATOM 1150 OG SER A 641 10.936 0.158 9.426 1.00 0.00 O ATOM 0 H SER A 641 8.337 -2.426 8.492 1.00 0.00 H new ATOM 0 HA SER A 641 9.792 -0.210 7.309 1.00 0.00 H new ATOM 0 HB2 SER A 641 9.564 -1.314 9.859 1.00 0.00 H new ATOM 0 HB3 SER A 641 11.134 -1.889 9.335 1.00 0.00 H new ATOM 0 HG SER A 641 11.255 0.192 10.352 1.00 0.00 H new ATOM 1156 N VAL A 642 11.014 -1.596 5.626 1.00 0.00 N ATOM 1157 CA VAL A 642 11.922 -2.273 4.706 1.00 0.00 C ATOM 1158 C VAL A 642 13.189 -1.455 4.485 1.00 0.00 C ATOM 1159 O VAL A 642 13.131 -0.239 4.304 1.00 0.00 O ATOM 1160 CB VAL A 642 11.255 -2.544 3.342 1.00 0.00 C ATOM 1161 CG1 VAL A 642 10.680 -3.951 3.299 1.00 0.00 C ATOM 1162 CG2 VAL A 642 10.175 -1.511 3.052 1.00 0.00 C ATOM 0 H VAL A 642 10.535 -0.789 5.227 1.00 0.00 H new ATOM 0 HA VAL A 642 12.180 -3.226 5.167 1.00 0.00 H new ATOM 0 HB VAL A 642 12.017 -2.461 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 642 10.214 -4.124 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.480 -4.676 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 642 9.934 -4.063 4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 642 9.719 -1.723 2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 642 9.413 -1.554 3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 642 10.619 -0.516 3.033 1.00 0.00 H new ATOM 1172 N LYS A 643 14.334 -2.132 4.500 1.00 0.00 N ATOM 1173 CA LYS A 643 15.617 -1.469 4.302 1.00 0.00 C ATOM 1174 C LYS A 643 16.143 -1.718 2.893 1.00 0.00 C ATOM 1175 O LYS A 643 16.462 -2.851 2.530 1.00 0.00 O ATOM 1176 CB LYS A 643 16.642 -1.953 5.332 1.00 0.00 C ATOM 1177 CG LYS A 643 16.047 -2.806 6.441 1.00 0.00 C ATOM 1178 CD LYS A 643 16.732 -4.162 6.529 1.00 0.00 C ATOM 1179 CE LYS A 643 17.962 -4.106 7.421 1.00 0.00 C ATOM 1180 NZ LYS A 643 18.719 -5.389 7.403 1.00 0.00 N ATOM 0 H LYS A 643 14.398 -3.139 4.647 1.00 0.00 H new ATOM 0 HA LYS A 643 15.463 -0.398 4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 643 17.414 -2.528 4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 643 17.132 -1.087 5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 643 16.144 -2.286 7.394 1.00 0.00 H new ATOM 0 HG3 LYS A 643 14.981 -2.946 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 643 16.031 -4.900 6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 643 17.020 -4.491 5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 643 18.613 -3.296 7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 643 17.660 -3.877 8.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 19.550 -5.310 8.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 18.106 -6.158 7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 19.030 -5.595 6.432 1.00 0.00 H new ATOM 1194 N THR A 644 16.233 -0.651 2.104 1.00 0.00 N ATOM 1195 CA THR A 644 16.724 -0.751 0.735 1.00 0.00 C ATOM 1196 C THR A 644 18.247 -0.787 0.697 1.00 0.00 C ATOM 1197 O THR A 644 18.865 -0.798 1.783 1.00 0.00 O ATOM 1198 CB THR A 644 16.232 0.425 -0.124 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.301 1.643 0.624 1.00 0.00 O ATOM 1200 CG2 THR A 644 14.805 0.193 -0.596 1.00 0.00 C ATOM 1201 OXT THR A 644 18.810 -0.803 -0.417 1.00 0.00 O ATOM 0 H THR A 644 15.972 0.293 2.390 1.00 0.00 H new ATOM 0 HA THR A 644 16.330 -1.682 0.327 1.00 0.00 H new ATOM 0 HB THR A 644 16.878 0.500 -0.998 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.964 2.239 0.218 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.480 1.039 -1.202 1.00 0.00 H new ATOM 0 HG22 THR A 644 14.763 -0.718 -1.193 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.148 0.092 0.268 1.00 0.00 H new TER 1209 THR A 644