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 595 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 625 LYS NZ :NH3+ 163:sc= 0 (180deg=0) USER MOD Set 2.1: A 583 SER OG : rot 92:sc= -0.244 USER MOD Set 2.2: A 592 TYR OH : rot -116:sc= 1.21 USER MOD Set 3.1: A 572 THR OG1 : rot -18:sc= 1.7 USER MOD Set 3.2: A 574 SER OG : rot 180:sc= -0.0705 USER MOD Set 3.3: A 575 SER OG : rot 66:sc= 0.193 USER MOD Single : A 557 HIS : no HD1:sc= -0.0376 X(o=-0.038,f=-0.0021) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 561 THR OG1 : rot 144:sc= 0.501 USER MOD Single : A 564 THR OG1 : rot 180:sc= 0 USER MOD Single : A 565 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.61) USER MOD Single : A 568 SER OG : rot 180:sc= 0 USER MOD Single : A 569 THR OG1 : rot 180:sc= 0.0355 USER MOD Single : A 571 GLN : amide:sc= -0.912 X(o=-0.91,f=-0.69) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0.0507 USER MOD Single : A 577 THR OG1 : rot -163:sc= -1.56! USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : A 584 THR OG1 : rot 180:sc= -0.0564 USER MOD Single : A 586 ASN : amide:sc= -0.6 K(o=-0.6,f=-3.3!) USER MOD Single : A 590 THR OG1 : rot 180:sc= 0 USER MOD Single : A 596 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.4) USER MOD Single : A 598 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 THR OG1 : rot 156:sc= -0.0608 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 93:sc= 0.0687 USER MOD Single : A 619 SER OG : rot 180:sc= 0.053 USER MOD Single : A 620 TYR OH : rot 156:sc= 0.164 USER MOD Single : A 621 THR OG1 : rot 180:sc= -0.888 USER MOD Single : A 623 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 632 ASN : amide:sc= -0.653 K(o=-0.65,f=-0.086) USER MOD Single : A 634 SER OG : rot 32:sc= -2.61! USER MOD Single : A 637 SER OG : rot 120:sc= -0.831 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 -159:sc= -0.35 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 557 -19.577 6.357 8.547 1.00 0.00 N ATOM 2 CA HIS A 557 -19.090 6.653 7.173 1.00 0.00 C ATOM 3 C HIS A 557 -19.242 5.440 6.258 1.00 0.00 C ATOM 4 O HIS A 557 -19.336 4.305 6.728 1.00 0.00 O ATOM 5 CB HIS A 557 -17.619 7.069 7.256 1.00 0.00 C ATOM 6 CG HIS A 557 -16.812 6.242 8.210 1.00 0.00 C ATOM 7 ND1 HIS A 557 -16.031 6.791 9.207 1.00 0.00 N ATOM 8 CD2 HIS A 557 -16.665 4.900 8.317 1.00 0.00 C ATOM 9 CE1 HIS A 557 -15.440 5.822 9.884 1.00 0.00 C ATOM 10 NE2 HIS A 557 -15.808 4.666 9.365 1.00 0.00 N ATOM 0 HA HIS A 557 -19.687 7.460 6.749 1.00 0.00 H new ATOM 0 HB2 HIS A 557 -17.174 7.000 6.263 1.00 0.00 H new ATOM 0 HB3 HIS A 557 -17.563 8.115 7.558 1.00 0.00 H new ATOM 0 HD2 HIS A 557 -17.134 4.153 7.694 1.00 0.00 H new ATOM 0 HE1 HIS A 557 -14.769 5.954 10.720 1.00 0.00 H new ATOM 0 HE2 HIS A 557 -15.505 3.748 9.689 1.00 0.00 H new ATOM 21 N MET A 558 -19.262 5.688 4.952 1.00 0.00 N ATOM 22 CA MET A 558 -19.397 4.612 3.974 1.00 0.00 C ATOM 23 C MET A 558 -18.029 4.170 3.466 1.00 0.00 C ATOM 24 O MET A 558 -17.912 3.598 2.381 1.00 0.00 O ATOM 25 CB MET A 558 -20.273 5.052 2.794 1.00 0.00 C ATOM 26 CG MET A 558 -20.625 6.531 2.797 1.00 0.00 C ATOM 27 SD MET A 558 -22.228 6.862 3.551 1.00 0.00 S ATOM 28 CE MET A 558 -22.469 8.577 3.097 1.00 0.00 C ATOM 0 H MET A 558 -19.187 6.621 4.547 1.00 0.00 H new ATOM 0 HA MET A 558 -19.878 3.769 4.471 1.00 0.00 H new ATOM 0 HB2 MET A 558 -19.756 4.815 1.864 1.00 0.00 H new ATOM 0 HB3 MET A 558 -21.195 4.471 2.804 1.00 0.00 H new ATOM 0 HG2 MET A 558 -19.854 7.083 3.335 1.00 0.00 H new ATOM 0 HG3 MET A 558 -20.626 6.902 1.772 1.00 0.00 H new ATOM 0 HE1 MET A 558 -23.422 8.928 3.493 1.00 0.00 H new ATOM 0 HE2 MET A 558 -21.660 9.180 3.510 1.00 0.00 H new ATOM 0 HE3 MET A 558 -22.471 8.669 2.011 1.00 0.00 H new ATOM 38 N ALA A 559 -16.997 4.439 4.259 1.00 0.00 N ATOM 39 CA ALA A 559 -15.636 4.070 3.896 1.00 0.00 C ATOM 40 C ALA A 559 -15.483 2.553 3.815 1.00 0.00 C ATOM 41 O ALA A 559 -16.157 1.816 4.536 1.00 0.00 O ATOM 42 CB ALA A 559 -14.648 4.651 4.897 1.00 0.00 C ATOM 0 H ALA A 559 -17.079 4.912 5.159 1.00 0.00 H new ATOM 0 HA ALA A 559 -15.422 4.484 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -13.634 4.368 4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -14.733 5.738 4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -14.868 4.264 5.892 1.00 0.00 H new ATOM 48 N PRO A 560 -14.592 2.062 2.933 1.00 0.00 N ATOM 49 CA PRO A 560 -14.358 0.625 2.766 1.00 0.00 C ATOM 50 C PRO A 560 -13.568 0.027 3.927 1.00 0.00 C ATOM 51 O PRO A 560 -13.453 0.636 4.990 1.00 0.00 O ATOM 52 CB PRO A 560 -13.549 0.553 1.473 1.00 0.00 C ATOM 53 CG PRO A 560 -12.819 1.849 1.419 1.00 0.00 C ATOM 54 CD PRO A 560 -13.742 2.867 2.032 1.00 0.00 C ATOM 0 HA PRO A 560 -15.288 0.057 2.737 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.859 -0.291 1.482 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -14.197 0.426 0.606 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -11.880 1.792 1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.571 2.115 0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.190 3.632 2.578 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.334 3.380 1.274 1.00 0.00 H new ATOM 62 N THR A 561 -13.028 -1.171 3.715 1.00 0.00 N ATOM 63 CA THR A 561 -12.250 -1.853 4.744 1.00 0.00 C ATOM 64 C THR A 561 -10.754 -1.695 4.496 1.00 0.00 C ATOM 65 O THR A 561 -10.254 -2.027 3.420 1.00 0.00 O ATOM 66 CB THR A 561 -12.594 -3.352 4.810 1.00 0.00 C ATOM 67 OG1 THR A 561 -14.012 -3.532 4.720 1.00 0.00 O ATOM 68 CG2 THR A 561 -12.081 -3.971 6.102 1.00 0.00 C ATOM 0 H THR A 561 -13.115 -1.688 2.840 1.00 0.00 H new ATOM 0 HA THR A 561 -12.509 -1.388 5.695 1.00 0.00 H new ATOM 0 HB THR A 561 -12.109 -3.850 3.971 1.00 0.00 H new ATOM 0 HG1 THR A 561 -14.207 -4.341 4.202 1.00 0.00 H new ATOM 0 HG21 THR A 561 -12.337 -5.030 6.124 1.00 0.00 H new ATOM 0 HG22 THR A 561 -10.998 -3.858 6.155 1.00 0.00 H new ATOM 0 HG23 THR A 561 -12.540 -3.469 6.953 1.00 0.00 H new ATOM 76 N ALA A 562 -10.046 -1.182 5.496 1.00 0.00 N ATOM 77 CA ALA A 562 -8.607 -0.973 5.390 1.00 0.00 C ATOM 78 C ALA A 562 -7.862 -2.295 5.202 1.00 0.00 C ATOM 79 O ALA A 562 -8.071 -3.244 5.960 1.00 0.00 O ATOM 80 CB ALA A 562 -8.092 -0.250 6.626 1.00 0.00 C ATOM 0 H ALA A 562 -10.447 -0.903 6.391 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.421 -0.358 4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.016 -0.099 6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -8.588 0.716 6.715 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.302 -0.849 7.512 1.00 0.00 H new ATOM 86 N PRO A 563 -6.975 -2.373 4.190 1.00 0.00 N ATOM 87 CA PRO A 563 -6.188 -3.581 3.910 1.00 0.00 C ATOM 88 C PRO A 563 -5.578 -4.179 5.172 1.00 0.00 C ATOM 89 O PRO A 563 -5.310 -3.466 6.139 1.00 0.00 O ATOM 90 CB PRO A 563 -5.090 -3.071 2.980 1.00 0.00 C ATOM 91 CG PRO A 563 -5.706 -1.918 2.267 1.00 0.00 C ATOM 92 CD PRO A 563 -6.664 -1.283 3.243 1.00 0.00 C ATOM 0 HA PRO A 563 -6.797 -4.378 3.483 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.207 -2.764 3.540 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.771 -3.845 2.281 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.945 -1.205 1.949 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -6.228 -2.249 1.369 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.213 -0.430 3.749 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.562 -0.919 2.743 1.00 0.00 H new ATOM 100 N THR A 564 -5.364 -5.489 5.161 1.00 0.00 N ATOM 101 CA THR A 564 -4.790 -6.174 6.312 1.00 0.00 C ATOM 102 C THR A 564 -3.721 -7.176 5.891 1.00 0.00 C ATOM 103 O THR A 564 -3.728 -7.672 4.764 1.00 0.00 O ATOM 104 CB THR A 564 -5.871 -6.910 7.124 1.00 0.00 C ATOM 105 OG1 THR A 564 -6.442 -7.963 6.339 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.965 -5.950 7.566 1.00 0.00 C ATOM 0 H THR A 564 -5.579 -6.097 4.370 1.00 0.00 H new ATOM 0 HA THR A 564 -4.333 -5.405 6.935 1.00 0.00 H new ATOM 0 HB THR A 564 -5.401 -7.333 8.012 1.00 0.00 H new ATOM 0 HG1 THR A 564 -7.127 -8.427 6.863 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.717 -6.494 8.138 1.00 0.00 H new ATOM 0 HG22 THR A 564 -6.532 -5.167 8.188 1.00 0.00 H new ATOM 0 HG23 THR A 564 -7.431 -5.501 6.689 1.00 0.00 H new ATOM 114 N ASN A 565 -2.808 -7.472 6.811 1.00 0.00 N ATOM 115 CA ASN A 565 -1.729 -8.419 6.554 1.00 0.00 C ATOM 116 C ASN A 565 -0.893 -8.003 5.348 1.00 0.00 C ATOM 117 O ASN A 565 -0.892 -8.679 4.318 1.00 0.00 O ATOM 118 CB ASN A 565 -2.291 -9.822 6.340 1.00 0.00 C ATOM 119 CG ASN A 565 -1.201 -10.870 6.221 1.00 0.00 C ATOM 120 OD1 ASN A 565 -0.198 -10.822 6.932 1.00 0.00 O ATOM 121 ND2 ASN A 565 -1.393 -11.824 5.318 1.00 0.00 N ATOM 0 H ASN A 565 -2.795 -7.067 7.747 1.00 0.00 H new ATOM 0 HA ASN A 565 -1.080 -8.422 7.429 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -2.948 -10.078 7.171 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -2.901 -9.832 5.437 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -0.694 -12.556 5.193 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -2.240 -11.825 4.750 1.00 0.00 H new ATOM 128 N LEU A 566 -0.170 -6.897 5.485 1.00 0.00 N ATOM 129 CA LEU A 566 0.682 -6.408 4.408 1.00 0.00 C ATOM 130 C LEU A 566 2.053 -7.072 4.485 1.00 0.00 C ATOM 131 O LEU A 566 2.443 -7.583 5.535 1.00 0.00 O ATOM 132 CB LEU A 566 0.829 -4.887 4.481 1.00 0.00 C ATOM 133 CG LEU A 566 1.854 -4.287 3.515 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.282 -4.207 2.107 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.295 -2.915 3.993 1.00 0.00 C ATOM 0 H LEU A 566 -0.157 -6.324 6.329 1.00 0.00 H new ATOM 0 HA LEU A 566 0.215 -6.662 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -0.142 -4.434 4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.108 -4.613 5.498 1.00 0.00 H new ATOM 0 HG LEU A 566 2.727 -4.939 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.026 -3.778 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.018 -5.207 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.392 -3.578 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 566 3.024 -2.503 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.430 -2.253 4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 566 2.748 -3.002 4.981 1.00 0.00 H new ATOM 147 N ALA A 567 2.779 -7.068 3.373 1.00 0.00 N ATOM 148 CA ALA A 567 4.101 -7.679 3.334 1.00 0.00 C ATOM 149 C ALA A 567 4.927 -7.171 2.159 1.00 0.00 C ATOM 150 O ALA A 567 4.403 -6.537 1.243 1.00 0.00 O ATOM 151 CB ALA A 567 3.974 -9.193 3.275 1.00 0.00 C ATOM 0 H ALA A 567 2.477 -6.651 2.492 1.00 0.00 H new ATOM 0 HA ALA A 567 4.624 -7.396 4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 567 4.967 -9.641 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.441 -9.548 4.157 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.422 -9.477 2.379 1.00 0.00 H new ATOM 157 N SER A 568 6.223 -7.469 2.190 1.00 0.00 N ATOM 158 CA SER A 568 7.134 -7.061 1.127 1.00 0.00 C ATOM 159 C SER A 568 7.802 -8.283 0.503 1.00 0.00 C ATOM 160 O SER A 568 8.057 -9.274 1.187 1.00 0.00 O ATOM 161 CB SER A 568 8.197 -6.107 1.674 1.00 0.00 C ATOM 162 OG SER A 568 8.680 -6.545 2.932 1.00 0.00 O ATOM 0 H SER A 568 6.667 -7.994 2.944 1.00 0.00 H new ATOM 0 HA SER A 568 6.559 -6.544 0.359 1.00 0.00 H new ATOM 0 HB2 SER A 568 9.025 -6.037 0.968 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.776 -5.106 1.772 1.00 0.00 H new ATOM 0 HG SER A 568 9.359 -5.918 3.258 1.00 0.00 H new ATOM 168 N THR A 569 8.076 -8.212 -0.796 1.00 0.00 N ATOM 169 CA THR A 569 8.707 -9.321 -1.501 1.00 0.00 C ATOM 170 C THR A 569 9.966 -8.870 -2.238 1.00 0.00 C ATOM 171 O THR A 569 11.073 -8.973 -1.710 1.00 0.00 O ATOM 172 CB THR A 569 7.737 -9.974 -2.505 1.00 0.00 C ATOM 173 OG1 THR A 569 6.967 -8.965 -3.169 1.00 0.00 O ATOM 174 CG2 THR A 569 6.807 -10.948 -1.800 1.00 0.00 C ATOM 0 H THR A 569 7.872 -7.401 -1.380 1.00 0.00 H new ATOM 0 HA THR A 569 8.983 -10.056 -0.745 1.00 0.00 H new ATOM 0 HB THR A 569 8.324 -10.524 -3.241 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.354 -9.388 -3.806 1.00 0.00 H new ATOM 0 HG21 THR A 569 6.131 -11.397 -2.528 1.00 0.00 H new ATOM 0 HG22 THR A 569 7.395 -11.730 -1.320 1.00 0.00 H new ATOM 0 HG23 THR A 569 6.227 -10.416 -1.046 1.00 0.00 H new ATOM 182 N ALA A 570 9.792 -8.376 -3.460 1.00 0.00 N ATOM 183 CA ALA A 570 10.917 -7.915 -4.266 1.00 0.00 C ATOM 184 C ALA A 570 11.323 -6.497 -3.885 1.00 0.00 C ATOM 185 O ALA A 570 10.722 -5.526 -4.341 1.00 0.00 O ATOM 186 CB ALA A 570 10.573 -7.986 -5.747 1.00 0.00 C ATOM 0 H ALA A 570 8.883 -8.285 -3.914 1.00 0.00 H new ATOM 0 HA ALA A 570 11.763 -8.573 -4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.423 -7.639 -6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.341 -9.016 -6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.708 -7.354 -5.950 1.00 0.00 H new ATOM 192 N GLN A 571 12.350 -6.383 -3.049 1.00 0.00 N ATOM 193 CA GLN A 571 12.838 -5.081 -2.610 1.00 0.00 C ATOM 194 C GLN A 571 14.273 -4.855 -3.076 1.00 0.00 C ATOM 195 O GLN A 571 15.224 -5.286 -2.422 1.00 0.00 O ATOM 196 CB GLN A 571 12.757 -4.964 -1.087 1.00 0.00 C ATOM 197 CG GLN A 571 11.573 -5.699 -0.478 1.00 0.00 C ATOM 198 CD GLN A 571 11.991 -6.729 0.552 1.00 0.00 C ATOM 199 OE1 GLN A 571 11.367 -7.782 0.682 1.00 0.00 O ATOM 200 NE2 GLN A 571 13.053 -6.429 1.292 1.00 0.00 N ATOM 0 H GLN A 571 12.860 -7.177 -2.662 1.00 0.00 H new ATOM 0 HA GLN A 571 12.204 -4.315 -3.056 1.00 0.00 H new ATOM 0 HB2 GLN A 571 13.677 -5.354 -0.652 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.697 -3.910 -0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 571 10.903 -4.977 -0.012 1.00 0.00 H new ATOM 0 HG3 GLN A 571 11.010 -6.192 -1.271 1.00 0.00 H new ATOM 0 HE21 GLN A 571 13.540 -5.544 1.150 1.00 0.00 H new ATOM 0 HE22 GLN A 571 13.381 -7.084 2.002 1.00 0.00 H new ATOM 209 N THR A 572 14.422 -4.180 -4.211 1.00 0.00 N ATOM 210 CA THR A 572 15.739 -3.899 -4.768 1.00 0.00 C ATOM 211 C THR A 572 16.346 -2.643 -4.144 1.00 0.00 C ATOM 212 O THR A 572 16.013 -2.279 -3.016 1.00 0.00 O ATOM 213 CB THR A 572 15.677 -3.733 -6.298 1.00 0.00 C ATOM 214 OG1 THR A 572 14.800 -2.654 -6.640 1.00 0.00 O ATOM 215 CG2 THR A 572 15.193 -5.015 -6.960 1.00 0.00 C ATOM 0 H THR A 572 13.645 -3.817 -4.763 1.00 0.00 H new ATOM 0 HA THR A 572 16.373 -4.754 -4.533 1.00 0.00 H new ATOM 0 HB THR A 572 16.681 -3.511 -6.659 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.222 -2.447 -5.876 1.00 0.00 H new ATOM 0 HG21 THR A 572 15.157 -4.875 -8.040 1.00 0.00 H new ATOM 0 HG22 THR A 572 15.878 -5.829 -6.722 1.00 0.00 H new ATOM 0 HG23 THR A 572 14.197 -5.261 -6.592 1.00 0.00 H new ATOM 223 N THR A 573 17.242 -1.990 -4.879 1.00 0.00 N ATOM 224 CA THR A 573 17.898 -0.781 -4.390 1.00 0.00 C ATOM 225 C THR A 573 17.122 0.476 -4.773 1.00 0.00 C ATOM 226 O THR A 573 17.405 1.564 -4.272 1.00 0.00 O ATOM 227 CB THR A 573 19.335 -0.669 -4.932 1.00 0.00 C ATOM 228 OG1 THR A 573 19.433 -1.324 -6.203 1.00 0.00 O ATOM 229 CG2 THR A 573 20.327 -1.291 -3.960 1.00 0.00 C ATOM 0 H THR A 573 17.530 -2.277 -5.814 1.00 0.00 H new ATOM 0 HA THR A 573 17.927 -0.860 -3.303 1.00 0.00 H new ATOM 0 HB THR A 573 19.575 0.388 -5.049 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.350 -1.246 -6.541 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.336 -1.201 -4.362 1.00 0.00 H new ATOM 0 HG22 THR A 573 20.271 -0.774 -3.002 1.00 0.00 H new ATOM 0 HG23 THR A 573 20.086 -2.344 -3.818 1.00 0.00 H new ATOM 237 N SER A 574 16.145 0.323 -5.661 1.00 0.00 N ATOM 238 CA SER A 574 15.334 1.452 -6.106 1.00 0.00 C ATOM 239 C SER A 574 13.856 1.079 -6.171 1.00 0.00 C ATOM 240 O SER A 574 12.989 1.875 -5.805 1.00 0.00 O ATOM 241 CB SER A 574 15.806 1.940 -7.476 1.00 0.00 C ATOM 242 OG SER A 574 15.268 1.142 -8.515 1.00 0.00 O ATOM 0 H SER A 574 15.895 -0.570 -6.086 1.00 0.00 H new ATOM 0 HA SER A 574 15.454 2.255 -5.378 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.506 2.978 -7.619 1.00 0.00 H new ATOM 0 HB3 SER A 574 16.895 1.913 -7.520 1.00 0.00 H new ATOM 0 HG SER A 574 15.584 1.476 -9.381 1.00 0.00 H new ATOM 248 N SER A 575 13.574 -0.130 -6.643 1.00 0.00 N ATOM 249 CA SER A 575 12.200 -0.603 -6.759 1.00 0.00 C ATOM 250 C SER A 575 11.830 -1.512 -5.592 1.00 0.00 C ATOM 251 O SER A 575 12.702 -2.026 -4.891 1.00 0.00 O ATOM 252 CB SER A 575 12.005 -1.352 -8.079 1.00 0.00 C ATOM 253 OG SER A 575 13.210 -1.398 -8.823 1.00 0.00 O ATOM 0 H SER A 575 14.278 -0.800 -6.951 1.00 0.00 H new ATOM 0 HA SER A 575 11.545 0.268 -6.739 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.660 -2.366 -7.878 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.229 -0.862 -8.667 1.00 0.00 H new ATOM 0 HG SER A 575 13.872 -1.935 -8.340 1.00 0.00 H new ATOM 259 N ILE A 576 10.531 -1.706 -5.395 1.00 0.00 N ATOM 260 CA ILE A 576 10.035 -2.553 -4.319 1.00 0.00 C ATOM 261 C ILE A 576 8.636 -3.072 -4.637 1.00 0.00 C ATOM 262 O ILE A 576 7.857 -2.405 -5.318 1.00 0.00 O ATOM 263 CB ILE A 576 10.006 -1.801 -2.971 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.818 -2.787 -1.815 1.00 0.00 C ATOM 265 CG2 ILE A 576 8.903 -0.750 -2.966 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.969 -2.155 -0.447 1.00 0.00 C ATOM 0 H ILE A 576 9.800 -1.286 -5.969 1.00 0.00 H new ATOM 0 HA ILE A 576 10.723 -3.394 -4.233 1.00 0.00 H new ATOM 0 HB ILE A 576 10.961 -1.292 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.828 -3.238 -1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.544 -3.594 -1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 576 8.899 -0.231 -2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.081 -0.032 -3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 576 7.939 -1.234 -3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.823 -2.913 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.968 -1.729 -0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.225 -1.367 -0.326 1.00 0.00 H new ATOM 278 N THR A 577 8.325 -4.264 -4.139 1.00 0.00 N ATOM 279 CA THR A 577 7.019 -4.869 -4.368 1.00 0.00 C ATOM 280 C THR A 577 6.293 -5.100 -3.050 1.00 0.00 C ATOM 281 O THR A 577 6.900 -5.497 -2.056 1.00 0.00 O ATOM 282 CB THR A 577 7.138 -6.208 -5.119 1.00 0.00 C ATOM 283 OG1 THR A 577 8.022 -6.067 -6.238 1.00 0.00 O ATOM 284 CG2 THR A 577 5.773 -6.679 -5.602 1.00 0.00 C ATOM 0 H THR A 577 8.959 -4.829 -3.575 1.00 0.00 H new ATOM 0 HA THR A 577 6.449 -4.173 -4.983 1.00 0.00 H new ATOM 0 HB THR A 577 7.541 -6.951 -4.430 1.00 0.00 H new ATOM 0 HG1 THR A 577 7.890 -6.816 -6.856 1.00 0.00 H new ATOM 0 HG21 THR A 577 5.881 -7.627 -6.130 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.111 -6.813 -4.747 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.349 -5.935 -6.276 1.00 0.00 H new ATOM 292 N LEU A 578 4.990 -4.845 -3.050 1.00 0.00 N ATOM 293 CA LEU A 578 4.180 -5.022 -1.852 1.00 0.00 C ATOM 294 C LEU A 578 3.014 -5.965 -2.120 1.00 0.00 C ATOM 295 O LEU A 578 2.504 -6.038 -3.238 1.00 0.00 O ATOM 296 CB LEU A 578 3.658 -3.664 -1.367 1.00 0.00 C ATOM 297 CG LEU A 578 4.039 -3.271 0.067 1.00 0.00 C ATOM 298 CD1 LEU A 578 5.439 -3.756 0.422 1.00 0.00 C ATOM 299 CD2 LEU A 578 3.945 -1.763 0.239 1.00 0.00 C ATOM 0 H LEU A 578 4.473 -4.516 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 578 4.806 -5.463 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 578 4.025 -2.893 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 578 2.571 -3.666 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 578 3.336 -3.753 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.678 -3.461 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 578 5.480 -4.842 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 578 6.162 -3.312 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 578 4.217 -1.496 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.626 -1.274 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 578 2.924 -1.437 0.039 1.00 0.00 H new ATOM 311 N SER A 579 2.599 -6.685 -1.085 1.00 0.00 N ATOM 312 CA SER A 579 1.491 -7.625 -1.198 1.00 0.00 C ATOM 313 C SER A 579 0.654 -7.607 0.074 1.00 0.00 C ATOM 314 O SER A 579 1.189 -7.679 1.181 1.00 0.00 O ATOM 315 CB SER A 579 2.014 -9.037 -1.464 1.00 0.00 C ATOM 316 OG SER A 579 0.964 -9.905 -1.857 1.00 0.00 O ATOM 0 H SER A 579 3.015 -6.635 -0.155 1.00 0.00 H new ATOM 0 HA SER A 579 0.864 -7.322 -2.037 1.00 0.00 H new ATOM 0 HB2 SER A 579 2.775 -9.005 -2.244 1.00 0.00 H new ATOM 0 HB3 SER A 579 2.494 -9.425 -0.566 1.00 0.00 H new ATOM 0 HG SER A 579 1.325 -10.801 -2.023 1.00 0.00 H new ATOM 322 N TRP A 580 -0.659 -7.497 -0.087 1.00 0.00 N ATOM 323 CA TRP A 580 -1.565 -7.454 1.054 1.00 0.00 C ATOM 324 C TRP A 580 -2.920 -8.058 0.705 1.00 0.00 C ATOM 325 O TRP A 580 -3.211 -8.325 -0.462 1.00 0.00 O ATOM 326 CB TRP A 580 -1.746 -6.007 1.515 1.00 0.00 C ATOM 327 CG TRP A 580 -2.362 -5.132 0.466 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.684 -4.815 0.334 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.683 -4.471 -0.606 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.866 -3.995 -0.752 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.653 -3.769 -1.346 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.347 -4.403 -1.012 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.329 -3.009 -2.467 1.00 0.00 C ATOM 334 CZ3 TRP A 580 -0.027 -3.648 -2.125 1.00 0.00 C ATOM 335 CH2 TRP A 580 -1.015 -2.960 -2.842 1.00 0.00 C ATOM 0 H TRP A 580 -1.120 -7.436 -0.995 1.00 0.00 H new ATOM 0 HA TRP A 580 -1.128 -8.044 1.859 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.372 -5.991 2.407 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.776 -5.598 1.799 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.471 -5.159 0.988 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.759 -3.616 -1.065 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.421 -4.931 -0.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -3.089 -2.477 -3.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.002 -3.587 -2.447 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.733 -2.380 -3.708 1.00 0.00 H new ATOM 346 N THR A 581 -3.748 -8.265 1.724 1.00 0.00 N ATOM 347 CA THR A 581 -5.075 -8.832 1.526 1.00 0.00 C ATOM 348 C THR A 581 -6.054 -7.771 1.041 1.00 0.00 C ATOM 349 O THR A 581 -5.985 -6.613 1.453 1.00 0.00 O ATOM 350 CB THR A 581 -5.620 -9.461 2.820 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.559 -10.101 3.539 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.714 -10.472 2.510 1.00 0.00 C ATOM 0 H THR A 581 -3.522 -8.048 2.695 1.00 0.00 H new ATOM 0 HA THR A 581 -4.976 -9.610 0.769 1.00 0.00 H new ATOM 0 HB THR A 581 -6.045 -8.667 3.434 1.00 0.00 H new ATOM 0 HG1 THR A 581 -4.914 -10.497 4.362 1.00 0.00 H new ATOM 0 HG21 THR A 581 -7.084 -10.904 3.440 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.532 -9.974 1.990 1.00 0.00 H new ATOM 0 HG23 THR A 581 -6.310 -11.263 1.878 1.00 0.00 H new ATOM 360 N ALA A 582 -6.965 -8.174 0.161 1.00 0.00 N ATOM 361 CA ALA A 582 -7.961 -7.259 -0.383 1.00 0.00 C ATOM 362 C ALA A 582 -8.803 -6.641 0.728 1.00 0.00 C ATOM 363 O ALA A 582 -8.728 -7.059 1.883 1.00 0.00 O ATOM 364 CB ALA A 582 -8.849 -7.982 -1.384 1.00 0.00 C ATOM 0 H ALA A 582 -7.034 -9.129 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.437 -6.452 -0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -9.588 -7.287 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -8.238 -8.369 -2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -9.358 -8.809 -0.888 1.00 0.00 H new ATOM 370 N SER A 583 -9.604 -5.643 0.369 1.00 0.00 N ATOM 371 CA SER A 583 -10.460 -4.965 1.335 1.00 0.00 C ATOM 372 C SER A 583 -11.590 -5.880 1.800 1.00 0.00 C ATOM 373 O SER A 583 -12.365 -5.522 2.687 1.00 0.00 O ATOM 374 CB SER A 583 -11.043 -3.690 0.725 1.00 0.00 C ATOM 375 OG SER A 583 -11.340 -3.872 -0.649 1.00 0.00 O ATOM 0 H SER A 583 -9.678 -5.286 -0.584 1.00 0.00 H new ATOM 0 HA SER A 583 -9.850 -4.702 2.199 1.00 0.00 H new ATOM 0 HB2 SER A 583 -11.949 -3.407 1.262 1.00 0.00 H new ATOM 0 HB3 SER A 583 -10.334 -2.870 0.842 1.00 0.00 H new ATOM 0 HG SER A 583 -12.269 -4.168 -0.746 1.00 0.00 H new ATOM 381 N THR A 584 -11.679 -7.060 1.190 1.00 0.00 N ATOM 382 CA THR A 584 -12.717 -8.027 1.534 1.00 0.00 C ATOM 383 C THR A 584 -14.105 -7.438 1.311 1.00 0.00 C ATOM 384 O THR A 584 -15.102 -7.963 1.809 1.00 0.00 O ATOM 385 CB THR A 584 -12.595 -8.494 2.997 1.00 0.00 C ATOM 386 OG1 THR A 584 -11.244 -8.340 3.451 1.00 0.00 O ATOM 387 CG2 THR A 584 -13.019 -9.948 3.135 1.00 0.00 C ATOM 0 H THR A 584 -11.044 -7.369 0.454 1.00 0.00 H new ATOM 0 HA THR A 584 -12.578 -8.887 0.879 1.00 0.00 H new ATOM 0 HB THR A 584 -13.254 -7.878 3.609 1.00 0.00 H new ATOM 0 HG1 THR A 584 -11.176 -8.638 4.382 1.00 0.00 H new ATOM 0 HG21 THR A 584 -12.925 -10.257 4.176 1.00 0.00 H new ATOM 0 HG22 THR A 584 -14.056 -10.056 2.816 1.00 0.00 H new ATOM 0 HG23 THR A 584 -12.381 -10.574 2.512 1.00 0.00 H new ATOM 395 N ASP A 585 -14.160 -6.347 0.555 1.00 0.00 N ATOM 396 CA ASP A 585 -15.419 -5.678 0.258 1.00 0.00 C ATOM 397 C ASP A 585 -15.337 -4.944 -1.076 1.00 0.00 C ATOM 398 O ASP A 585 -15.283 -3.714 -1.118 1.00 0.00 O ATOM 399 CB ASP A 585 -15.778 -4.697 1.374 1.00 0.00 C ATOM 400 CG ASP A 585 -16.426 -5.381 2.561 1.00 0.00 C ATOM 401 OD1 ASP A 585 -17.363 -6.179 2.347 1.00 0.00 O ATOM 402 OD2 ASP A 585 -15.998 -5.118 3.704 1.00 0.00 O ATOM 0 H ASP A 585 -13.342 -5.906 0.135 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.199 -6.436 0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -14.876 -4.181 1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -16.455 -3.938 0.982 1.00 0.00 H new ATOM 407 N ASN A 586 -15.328 -5.707 -2.165 1.00 0.00 N ATOM 408 CA ASN A 586 -15.251 -5.131 -3.502 1.00 0.00 C ATOM 409 C ASN A 586 -16.556 -4.414 -3.859 1.00 0.00 C ATOM 410 O ASN A 586 -17.035 -3.583 -3.087 1.00 0.00 O ATOM 411 CB ASN A 586 -14.928 -6.218 -4.533 1.00 0.00 C ATOM 412 CG ASN A 586 -15.308 -7.606 -4.056 1.00 0.00 C ATOM 413 OD1 ASN A 586 -16.488 -7.952 -3.990 1.00 0.00 O ATOM 414 ND2 ASN A 586 -14.306 -8.409 -3.718 1.00 0.00 N ATOM 0 H ASN A 586 -15.373 -6.726 -2.147 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.447 -4.395 -3.515 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -15.455 -6.000 -5.462 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -13.862 -6.195 -4.758 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -14.499 -9.355 -3.388 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -13.343 -8.080 -3.789 1.00 0.00 H new ATOM 421 N VAL A 587 -17.122 -4.736 -5.027 1.00 0.00 N ATOM 422 CA VAL A 587 -18.370 -4.123 -5.491 1.00 0.00 C ATOM 423 C VAL A 587 -18.375 -2.610 -5.267 1.00 0.00 C ATOM 424 O VAL A 587 -19.430 -1.990 -5.135 1.00 0.00 O ATOM 425 CB VAL A 587 -19.608 -4.764 -4.819 1.00 0.00 C ATOM 426 CG1 VAL A 587 -19.518 -6.280 -4.876 1.00 0.00 C ATOM 427 CG2 VAL A 587 -19.769 -4.292 -3.380 1.00 0.00 C ATOM 0 H VAL A 587 -16.732 -5.423 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 587 -18.428 -4.310 -6.563 1.00 0.00 H new ATOM 0 HB VAL A 587 -20.490 -4.444 -5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -20.396 -6.715 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -19.473 -6.603 -5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -18.620 -6.611 -4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -20.648 -4.762 -2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -18.884 -4.567 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -19.890 -3.209 -3.364 1.00 0.00 H new ATOM 437 N GLY A 588 -17.180 -2.026 -5.233 1.00 0.00 N ATOM 438 CA GLY A 588 -17.048 -0.596 -5.029 1.00 0.00 C ATOM 439 C GLY A 588 -15.603 -0.145 -5.103 1.00 0.00 C ATOM 440 O GLY A 588 -15.303 0.925 -5.635 1.00 0.00 O ATOM 0 H GLY A 588 -16.296 -2.523 -5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.632 -0.067 -5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.462 -0.328 -4.057 1.00 0.00 H new ATOM 444 N VAL A 589 -14.704 -0.972 -4.576 1.00 0.00 N ATOM 445 CA VAL A 589 -13.280 -0.668 -4.589 1.00 0.00 C ATOM 446 C VAL A 589 -12.713 -0.821 -5.995 1.00 0.00 C ATOM 447 O VAL A 589 -13.140 -1.695 -6.751 1.00 0.00 O ATOM 448 CB VAL A 589 -12.499 -1.585 -3.625 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.054 -1.129 -3.499 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.174 -1.625 -2.261 1.00 0.00 C ATOM 0 H VAL A 589 -14.940 -1.860 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.166 0.365 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.500 -2.594 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.522 -1.790 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.576 -1.160 -4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.026 -0.110 -3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.609 -2.277 -1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.208 -0.619 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.189 -2.008 -2.368 1.00 0.00 H new ATOM 460 N THR A 590 -11.760 0.035 -6.350 1.00 0.00 N ATOM 461 CA THR A 590 -11.154 -0.012 -7.676 1.00 0.00 C ATOM 462 C THR A 590 -9.631 0.047 -7.605 1.00 0.00 C ATOM 463 O THR A 590 -8.944 -0.502 -8.465 1.00 0.00 O ATOM 464 CB THR A 590 -11.659 1.141 -8.563 1.00 0.00 C ATOM 465 OG1 THR A 590 -10.896 1.199 -9.774 1.00 0.00 O ATOM 466 CG2 THR A 590 -11.563 2.473 -7.833 1.00 0.00 C ATOM 0 H THR A 590 -11.392 0.766 -5.741 1.00 0.00 H new ATOM 0 HA THR A 590 -11.450 -0.964 -8.117 1.00 0.00 H new ATOM 0 HB THR A 590 -12.706 0.952 -8.801 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.225 1.934 -10.333 1.00 0.00 H new ATOM 0 HG21 THR A 590 -11.926 3.270 -8.482 1.00 0.00 H new ATOM 0 HG22 THR A 590 -12.170 2.437 -6.928 1.00 0.00 H new ATOM 0 HG23 THR A 590 -10.524 2.667 -7.566 1.00 0.00 H new ATOM 474 N GLY A 591 -9.107 0.717 -6.582 1.00 0.00 N ATOM 475 CA GLY A 591 -7.666 0.829 -6.440 1.00 0.00 C ATOM 476 C GLY A 591 -7.222 0.976 -4.997 1.00 0.00 C ATOM 477 O GLY A 591 -8.047 1.132 -4.096 1.00 0.00 O ATOM 0 H GLY A 591 -9.650 1.181 -5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.194 -0.054 -6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.316 1.689 -7.011 1.00 0.00 H new ATOM 481 N TYR A 592 -5.910 0.926 -4.783 1.00 0.00 N ATOM 482 CA TYR A 592 -5.340 1.055 -3.446 1.00 0.00 C ATOM 483 C TYR A 592 -4.208 2.079 -3.440 1.00 0.00 C ATOM 484 O TYR A 592 -3.350 2.073 -4.324 1.00 0.00 O ATOM 485 CB TYR A 592 -4.809 -0.296 -2.960 1.00 0.00 C ATOM 486 CG TYR A 592 -5.888 -1.321 -2.692 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.519 -1.984 -3.737 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.272 -1.629 -1.393 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.503 -2.923 -3.496 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.255 -2.568 -1.144 1.00 0.00 C ATOM 491 CZ TYR A 592 -7.867 -3.212 -2.198 1.00 0.00 C ATOM 492 OH TYR A 592 -8.846 -4.146 -1.954 1.00 0.00 O ATOM 0 H TYR A 592 -5.219 0.796 -5.522 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.128 1.394 -2.774 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.121 -0.694 -3.706 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.234 -0.142 -2.047 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.235 -1.762 -4.755 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -5.795 -1.127 -0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -7.985 -3.428 -4.320 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -7.542 -2.796 -0.128 1.00 0.00 H new ATOM 0 HH TYR A 592 -9.610 -3.713 -1.519 1.00 0.00 H new ATOM 502 N ASP A 593 -4.208 2.953 -2.440 1.00 0.00 N ATOM 503 CA ASP A 593 -3.178 3.979 -2.321 1.00 0.00 C ATOM 504 C ASP A 593 -2.118 3.567 -1.304 1.00 0.00 C ATOM 505 O ASP A 593 -2.439 3.197 -0.174 1.00 0.00 O ATOM 506 CB ASP A 593 -3.804 5.314 -1.912 1.00 0.00 C ATOM 507 CG ASP A 593 -4.059 6.221 -3.099 1.00 0.00 C ATOM 508 OD1 ASP A 593 -4.253 5.698 -4.217 1.00 0.00 O ATOM 509 OD2 ASP A 593 -4.067 7.456 -2.911 1.00 0.00 O ATOM 0 H ASP A 593 -4.910 2.972 -1.700 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.698 4.094 -3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -4.744 5.127 -1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.145 5.820 -1.207 1.00 0.00 H new ATOM 514 N VAL A 594 -0.853 3.628 -1.712 1.00 0.00 N ATOM 515 CA VAL A 594 0.251 3.255 -0.834 1.00 0.00 C ATOM 516 C VAL A 594 0.909 4.485 -0.218 1.00 0.00 C ATOM 517 O VAL A 594 1.214 5.455 -0.912 1.00 0.00 O ATOM 518 CB VAL A 594 1.316 2.437 -1.589 1.00 0.00 C ATOM 519 CG1 VAL A 594 2.443 2.027 -0.653 1.00 0.00 C ATOM 520 CG2 VAL A 594 0.686 1.217 -2.241 1.00 0.00 C ATOM 0 H VAL A 594 -0.568 3.932 -2.643 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.172 2.641 -0.039 1.00 0.00 H new ATOM 0 HB VAL A 594 1.739 3.065 -2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 594 3.184 1.450 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 594 2.913 2.918 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 594 2.040 1.418 0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 594 1.452 0.651 -2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 594 0.234 0.588 -1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 594 -0.081 1.537 -2.947 1.00 0.00 H new ATOM 530 N TYR A 595 1.123 4.434 1.093 1.00 0.00 N ATOM 531 CA TYR A 595 1.744 5.537 1.816 1.00 0.00 C ATOM 532 C TYR A 595 3.214 5.245 2.097 1.00 0.00 C ATOM 533 O TYR A 595 3.550 4.225 2.699 1.00 0.00 O ATOM 534 CB TYR A 595 1.009 5.785 3.133 1.00 0.00 C ATOM 535 CG TYR A 595 -0.307 6.515 2.972 1.00 0.00 C ATOM 536 CD1 TYR A 595 -0.342 7.891 2.779 1.00 0.00 C ATOM 537 CD2 TYR A 595 -1.514 5.827 3.014 1.00 0.00 C ATOM 538 CE1 TYR A 595 -1.542 8.560 2.633 1.00 0.00 C ATOM 539 CE2 TYR A 595 -2.718 6.490 2.869 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.726 7.856 2.678 1.00 0.00 C ATOM 541 OH TYR A 595 -3.924 8.519 2.533 1.00 0.00 O ATOM 0 H TYR A 595 0.874 3.636 1.678 1.00 0.00 H new ATOM 0 HA TYR A 595 1.679 6.428 1.192 1.00 0.00 H new ATOM 0 HB2 TYR A 595 0.825 4.828 3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.655 6.362 3.795 1.00 0.00 H new ATOM 0 HD1 TYR A 595 0.584 8.446 2.743 1.00 0.00 H new ATOM 0 HD2 TYR A 595 -1.511 4.757 3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -1.552 9.630 2.484 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -3.648 5.941 2.905 1.00 0.00 H new ATOM 0 HH TYR A 595 -4.662 7.877 2.588 1.00 0.00 H new ATOM 551 N ASN A 596 4.085 6.151 1.666 1.00 0.00 N ATOM 552 CA ASN A 596 5.518 5.994 1.879 1.00 0.00 C ATOM 553 C ASN A 596 5.978 6.838 3.064 1.00 0.00 C ATOM 554 O ASN A 596 6.442 7.965 2.895 1.00 0.00 O ATOM 555 CB ASN A 596 6.290 6.394 0.619 1.00 0.00 C ATOM 556 CG ASN A 596 7.778 6.132 0.743 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.224 5.434 1.653 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.556 6.691 -0.176 1.00 0.00 N ATOM 0 H ASN A 596 3.823 7.001 1.167 1.00 0.00 H new ATOM 0 HA ASN A 596 5.720 4.945 2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 596 5.897 5.842 -0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.126 7.453 0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.566 6.549 -0.145 1.00 0.00 H new ATOM 0 HD22 ASN A 596 8.144 7.263 -0.914 1.00 0.00 H new ATOM 565 N GLY A 597 5.840 6.283 4.266 1.00 0.00 N ATOM 566 CA GLY A 597 6.240 6.998 5.463 1.00 0.00 C ATOM 567 C GLY A 597 5.076 7.712 6.122 1.00 0.00 C ATOM 568 O GLY A 597 4.501 7.214 7.090 1.00 0.00 O ATOM 0 H GLY A 597 5.458 5.351 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.682 6.297 6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 597 7.012 7.724 5.209 1.00 0.00 H new ATOM 572 N THR A 598 4.729 8.883 5.595 1.00 0.00 N ATOM 573 CA THR A 598 3.625 9.669 6.136 1.00 0.00 C ATOM 574 C THR A 598 2.912 10.445 5.033 1.00 0.00 C ATOM 575 O THR A 598 2.173 11.391 5.305 1.00 0.00 O ATOM 576 CB THR A 598 4.114 10.659 7.211 1.00 0.00 C ATOM 577 OG1 THR A 598 5.349 11.259 6.799 1.00 0.00 O ATOM 578 CG2 THR A 598 4.307 9.959 8.547 1.00 0.00 C ATOM 0 H THR A 598 5.196 9.308 4.794 1.00 0.00 H new ATOM 0 HA THR A 598 2.928 8.965 6.591 1.00 0.00 H new ATOM 0 HB THR A 598 3.355 11.432 7.331 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.652 11.888 7.486 1.00 0.00 H new ATOM 0 HG21 THR A 598 4.652 10.679 9.289 1.00 0.00 H new ATOM 0 HG22 THR A 598 3.360 9.529 8.873 1.00 0.00 H new ATOM 0 HG23 THR A 598 5.047 9.166 8.439 1.00 0.00 H new ATOM 586 N ALA A 599 3.141 10.040 3.787 1.00 0.00 N ATOM 587 CA ALA A 599 2.522 10.700 2.642 1.00 0.00 C ATOM 588 C ALA A 599 2.201 9.699 1.536 1.00 0.00 C ATOM 589 O ALA A 599 2.577 8.530 1.617 1.00 0.00 O ATOM 590 CB ALA A 599 3.435 11.797 2.114 1.00 0.00 C ATOM 0 H ALA A 599 3.750 9.259 3.545 1.00 0.00 H new ATOM 0 HA ALA A 599 1.584 11.146 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 599 2.964 12.283 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 599 3.611 12.533 2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 599 4.385 11.362 1.805 1.00 0.00 H new ATOM 596 N LEU A 600 1.504 10.166 0.502 1.00 0.00 N ATOM 597 CA LEU A 600 1.134 9.313 -0.624 1.00 0.00 C ATOM 598 C LEU A 600 2.358 8.966 -1.467 1.00 0.00 C ATOM 599 O LEU A 600 3.307 9.748 -1.550 1.00 0.00 O ATOM 600 CB LEU A 600 0.078 10.008 -1.489 1.00 0.00 C ATOM 601 CG LEU A 600 -0.722 9.095 -2.428 1.00 0.00 C ATOM 602 CD1 LEU A 600 -0.027 8.976 -3.775 1.00 0.00 C ATOM 603 CD2 LEU A 600 -0.939 7.716 -1.815 1.00 0.00 C ATOM 0 H LEU A 600 1.184 11.131 0.421 1.00 0.00 H new ATOM 0 HA LEU A 600 0.716 8.387 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.622 10.523 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.572 10.772 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 600 -1.701 9.549 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -0.608 8.325 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 600 0.058 9.963 -4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 600 0.968 8.554 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -1.509 7.096 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 600 0.026 7.249 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 600 -1.490 7.816 -0.880 1.00 0.00 H new ATOM 615 N ALA A 601 2.332 7.791 -2.092 1.00 0.00 N ATOM 616 CA ALA A 601 3.443 7.347 -2.926 1.00 0.00 C ATOM 617 C ALA A 601 2.950 6.806 -4.267 1.00 0.00 C ATOM 618 O ALA A 601 2.636 7.575 -5.177 1.00 0.00 O ATOM 619 CB ALA A 601 4.263 6.296 -2.193 1.00 0.00 C ATOM 0 H ALA A 601 1.556 7.132 -2.036 1.00 0.00 H new ATOM 0 HA ALA A 601 4.078 8.209 -3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.089 5.973 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 601 4.658 6.721 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 601 3.630 5.440 -1.957 1.00 0.00 H new ATOM 625 N THR A 602 2.890 5.480 -4.389 1.00 0.00 N ATOM 626 CA THR A 602 2.444 4.845 -5.622 1.00 0.00 C ATOM 627 C THR A 602 0.936 4.616 -5.617 1.00 0.00 C ATOM 628 O THR A 602 0.268 4.824 -4.604 1.00 0.00 O ATOM 629 CB THR A 602 3.160 3.501 -5.858 1.00 0.00 C ATOM 630 OG1 THR A 602 2.876 3.018 -7.176 1.00 0.00 O ATOM 631 CG2 THR A 602 2.729 2.466 -4.829 1.00 0.00 C ATOM 0 H THR A 602 3.145 4.828 -3.647 1.00 0.00 H new ATOM 0 HA THR A 602 2.698 5.528 -6.433 1.00 0.00 H new ATOM 0 HB THR A 602 4.233 3.666 -5.755 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.594 2.417 -7.466 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.249 1.527 -5.018 1.00 0.00 H new ATOM 0 HG22 THR A 602 2.976 2.823 -3.829 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.653 2.306 -4.902 1.00 0.00 H new ATOM 639 N THR A 603 0.410 4.181 -6.758 1.00 0.00 N ATOM 640 CA THR A 603 -1.016 3.918 -6.895 1.00 0.00 C ATOM 641 C THR A 603 -1.259 2.662 -7.723 1.00 0.00 C ATOM 642 O THR A 603 -0.759 2.538 -8.842 1.00 0.00 O ATOM 643 CB THR A 603 -1.746 5.106 -7.551 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.525 6.297 -6.787 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.240 4.836 -7.654 1.00 0.00 C ATOM 0 H THR A 603 0.953 4.003 -7.603 1.00 0.00 H new ATOM 0 HA THR A 603 -1.413 3.772 -5.890 1.00 0.00 H new ATOM 0 HB THR A 603 -1.347 5.238 -8.557 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.990 7.048 -7.210 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.733 5.689 -8.120 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.408 3.945 -8.259 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.651 4.680 -6.657 1.00 0.00 H new ATOM 653 N VAL A 604 -2.024 1.729 -7.166 1.00 0.00 N ATOM 654 CA VAL A 604 -2.326 0.481 -7.854 1.00 0.00 C ATOM 655 C VAL A 604 -3.827 0.232 -7.927 1.00 0.00 C ATOM 656 O VAL A 604 -4.627 1.059 -7.488 1.00 0.00 O ATOM 657 CB VAL A 604 -1.652 -0.716 -7.158 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.155 -0.715 -7.428 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.933 -0.690 -5.663 1.00 0.00 C ATOM 0 H VAL A 604 -2.445 1.814 -6.241 1.00 0.00 H new ATOM 0 HA VAL A 604 -1.933 0.578 -8.866 1.00 0.00 H new ATOM 0 HB VAL A 604 -2.071 -1.636 -7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.305 -1.568 -6.929 1.00 0.00 H new ATOM 0 HG12 VAL A 604 0.021 -0.785 -8.501 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.283 0.208 -7.048 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.449 -1.543 -5.187 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.543 0.234 -5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -3.009 -0.742 -5.494 1.00 0.00 H new ATOM 669 N THR A 605 -4.201 -0.914 -8.485 1.00 0.00 N ATOM 670 CA THR A 605 -5.604 -1.283 -8.620 1.00 0.00 C ATOM 671 C THR A 605 -5.816 -2.754 -8.278 1.00 0.00 C ATOM 672 O THR A 605 -6.949 -3.211 -8.131 1.00 0.00 O ATOM 673 CB THR A 605 -6.118 -1.023 -10.048 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.352 -1.781 -10.992 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.034 0.457 -10.395 1.00 0.00 C ATOM 0 H THR A 605 -3.548 -1.606 -8.853 1.00 0.00 H new ATOM 0 HA THR A 605 -6.165 -0.662 -7.921 1.00 0.00 H new ATOM 0 HB THR A 605 -7.162 -1.333 -10.094 1.00 0.00 H new ATOM 0 HG1 THR A 605 -5.687 -1.611 -11.897 1.00 0.00 H new ATOM 0 HG21 THR A 605 -6.403 0.615 -11.409 1.00 0.00 H new ATOM 0 HG22 THR A 605 -6.642 1.030 -9.695 1.00 0.00 H new ATOM 0 HG23 THR A 605 -4.997 0.788 -10.331 1.00 0.00 H new ATOM 683 N GLY A 606 -4.715 -3.490 -8.155 1.00 0.00 N ATOM 684 CA GLY A 606 -4.797 -4.903 -7.833 1.00 0.00 C ATOM 685 C GLY A 606 -4.552 -5.177 -6.363 1.00 0.00 C ATOM 686 O GLY A 606 -5.201 -4.589 -5.498 1.00 0.00 O ATOM 0 H GLY A 606 -3.767 -3.132 -8.273 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.782 -5.279 -8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.067 -5.451 -8.428 1.00 0.00 H new ATOM 690 N THR A 607 -3.610 -6.072 -6.078 1.00 0.00 N ATOM 691 CA THR A 607 -3.280 -6.422 -4.701 1.00 0.00 C ATOM 692 C THR A 607 -1.803 -6.176 -4.412 1.00 0.00 C ATOM 693 O THR A 607 -1.348 -6.336 -3.279 1.00 0.00 O ATOM 694 CB THR A 607 -3.613 -7.895 -4.399 1.00 0.00 C ATOM 695 OG1 THR A 607 -3.236 -8.722 -5.505 1.00 0.00 O ATOM 696 CG2 THR A 607 -5.099 -8.068 -4.114 1.00 0.00 C ATOM 0 H THR A 607 -3.063 -6.567 -6.782 1.00 0.00 H new ATOM 0 HA THR A 607 -3.885 -5.783 -4.058 1.00 0.00 H new ATOM 0 HB THR A 607 -3.051 -8.195 -3.514 1.00 0.00 H new ATOM 0 HG1 THR A 607 -3.450 -9.657 -5.303 1.00 0.00 H new ATOM 0 HG21 THR A 607 -5.309 -9.117 -3.904 1.00 0.00 H new ATOM 0 HG22 THR A 607 -5.377 -7.462 -3.252 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.676 -7.749 -4.982 1.00 0.00 H new ATOM 704 N THR A 608 -1.060 -5.787 -5.443 1.00 0.00 N ATOM 705 CA THR A 608 0.366 -5.517 -5.302 1.00 0.00 C ATOM 706 C THR A 608 0.660 -4.029 -5.465 1.00 0.00 C ATOM 707 O THR A 608 -0.229 -3.247 -5.799 1.00 0.00 O ATOM 708 CB THR A 608 1.194 -6.307 -6.333 1.00 0.00 C ATOM 709 OG1 THR A 608 0.608 -6.179 -7.633 1.00 0.00 O ATOM 710 CG2 THR A 608 1.274 -7.778 -5.950 1.00 0.00 C ATOM 0 H THR A 608 -1.423 -5.652 -6.387 1.00 0.00 H new ATOM 0 HA THR A 608 0.651 -5.836 -4.299 1.00 0.00 H new ATOM 0 HB THR A 608 2.203 -5.896 -6.348 1.00 0.00 H new ATOM 0 HG1 THR A 608 1.141 -6.683 -8.283 1.00 0.00 H new ATOM 0 HG21 THR A 608 1.863 -8.316 -6.693 1.00 0.00 H new ATOM 0 HG22 THR A 608 1.747 -7.874 -4.972 1.00 0.00 H new ATOM 0 HG23 THR A 608 0.269 -8.199 -5.910 1.00 0.00 H new ATOM 718 N ALA A 609 1.911 -3.643 -5.226 1.00 0.00 N ATOM 719 CA ALA A 609 2.320 -2.247 -5.343 1.00 0.00 C ATOM 720 C ALA A 609 3.816 -2.135 -5.618 1.00 0.00 C ATOM 721 O ALA A 609 4.633 -2.707 -4.897 1.00 0.00 O ATOM 722 CB ALA A 609 1.959 -1.485 -4.079 1.00 0.00 C ATOM 0 H ALA A 609 2.659 -4.279 -4.950 1.00 0.00 H new ATOM 0 HA ALA A 609 1.787 -1.807 -6.186 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.270 -0.445 -4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.881 -1.528 -3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.467 -1.934 -3.226 1.00 0.00 H new ATOM 728 N THR A 610 4.167 -1.393 -6.663 1.00 0.00 N ATOM 729 CA THR A 610 5.564 -1.204 -7.033 1.00 0.00 C ATOM 730 C THR A 610 5.989 0.251 -6.855 1.00 0.00 C ATOM 731 O THR A 610 5.518 1.137 -7.568 1.00 0.00 O ATOM 732 CB THR A 610 5.823 -1.628 -8.490 1.00 0.00 C ATOM 733 OG1 THR A 610 5.036 -2.779 -8.814 1.00 0.00 O ATOM 734 CG2 THR A 610 7.297 -1.936 -8.709 1.00 0.00 C ATOM 0 H THR A 610 3.502 -0.912 -7.269 1.00 0.00 H new ATOM 0 HA THR A 610 6.154 -1.836 -6.369 1.00 0.00 H new ATOM 0 HB THR A 610 5.540 -0.801 -9.142 1.00 0.00 H new ATOM 0 HG1 THR A 610 5.206 -3.040 -9.743 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.456 -2.233 -9.745 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.891 -1.048 -8.491 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.601 -2.747 -8.048 1.00 0.00 H new ATOM 742 N ILE A 611 6.883 0.491 -5.900 1.00 0.00 N ATOM 743 CA ILE A 611 7.373 1.838 -5.628 1.00 0.00 C ATOM 744 C ILE A 611 8.797 2.014 -6.143 1.00 0.00 C ATOM 745 O ILE A 611 9.664 1.176 -5.894 1.00 0.00 O ATOM 746 CB ILE A 611 7.337 2.159 -4.121 1.00 0.00 C ATOM 747 CG1 ILE A 611 5.928 1.950 -3.564 1.00 0.00 C ATOM 748 CG2 ILE A 611 7.807 3.584 -3.866 1.00 0.00 C ATOM 749 CD1 ILE A 611 5.702 0.568 -2.995 1.00 0.00 C ATOM 0 H ILE A 611 7.283 -0.231 -5.301 1.00 0.00 H new ATOM 0 HA ILE A 611 6.711 2.529 -6.150 1.00 0.00 H new ATOM 0 HB ILE A 611 8.015 1.478 -3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 611 5.740 2.690 -2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.202 2.131 -4.357 1.00 0.00 H new ATOM 0 HG21 ILE A 611 7.775 3.792 -2.797 1.00 0.00 H new ATOM 0 HG22 ILE A 611 8.829 3.700 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.155 4.282 -4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 611 4.682 0.492 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 611 5.857 -0.177 -3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.404 0.391 -2.180 1.00 0.00 H new ATOM 761 N SER A 612 9.032 3.106 -6.862 1.00 0.00 N ATOM 762 CA SER A 612 10.353 3.389 -7.412 1.00 0.00 C ATOM 763 C SER A 612 10.889 4.720 -6.896 1.00 0.00 C ATOM 764 O SER A 612 10.183 5.462 -6.212 1.00 0.00 O ATOM 765 CB SER A 612 10.297 3.406 -8.941 1.00 0.00 C ATOM 766 OG SER A 612 9.229 4.216 -9.402 1.00 0.00 O ATOM 0 H SER A 612 8.326 3.809 -7.078 1.00 0.00 H new ATOM 0 HA SER A 612 11.030 2.599 -7.087 1.00 0.00 H new ATOM 0 HB2 SER A 612 11.240 3.781 -9.339 1.00 0.00 H new ATOM 0 HB3 SER A 612 10.175 2.390 -9.315 1.00 0.00 H new ATOM 0 HG SER A 612 9.215 4.212 -10.382 1.00 0.00 H new ATOM 772 N GLY A 613 12.141 5.016 -7.232 1.00 0.00 N ATOM 773 CA GLY A 613 12.753 6.257 -6.798 1.00 0.00 C ATOM 774 C GLY A 613 13.135 6.240 -5.331 1.00 0.00 C ATOM 775 O GLY A 613 12.892 7.208 -4.609 1.00 0.00 O ATOM 0 H GLY A 613 12.742 4.417 -7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 613 13.642 6.448 -7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.063 7.081 -6.980 1.00 0.00 H new ATOM 779 N LEU A 614 13.737 5.141 -4.887 1.00 0.00 N ATOM 780 CA LEU A 614 14.155 5.009 -3.495 1.00 0.00 C ATOM 781 C LEU A 614 15.669 4.852 -3.396 1.00 0.00 C ATOM 782 O LEU A 614 16.269 4.059 -4.120 1.00 0.00 O ATOM 783 CB LEU A 614 13.459 3.813 -2.839 1.00 0.00 C ATOM 784 CG LEU A 614 11.935 3.823 -2.925 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.387 2.404 -2.884 1.00 0.00 C ATOM 786 CD2 LEU A 614 11.356 4.652 -1.795 1.00 0.00 C ATOM 0 H LEU A 614 13.946 4.330 -5.469 1.00 0.00 H new ATOM 0 HA LEU A 614 13.867 5.918 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 614 13.828 2.898 -3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 614 13.748 3.776 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 614 11.641 4.272 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.299 2.432 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 614 11.784 1.836 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 614 11.685 1.926 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.268 4.653 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 614 11.658 4.225 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 614 11.725 5.675 -1.868 1.00 0.00 H new ATOM 798 N ALA A 615 16.279 5.620 -2.497 1.00 0.00 N ATOM 799 CA ALA A 615 17.724 5.573 -2.305 1.00 0.00 C ATOM 800 C ALA A 615 18.132 4.369 -1.464 1.00 0.00 C ATOM 801 O ALA A 615 17.425 3.980 -0.534 1.00 0.00 O ATOM 802 CB ALA A 615 18.212 6.859 -1.656 1.00 0.00 C ATOM 0 H ALA A 615 15.795 6.282 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 615 18.190 5.471 -3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.292 6.810 -1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 615 17.966 7.706 -2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.728 6.984 -0.687 1.00 0.00 H new ATOM 808 N ALA A 616 19.279 3.784 -1.797 1.00 0.00 N ATOM 809 CA ALA A 616 19.786 2.624 -1.074 1.00 0.00 C ATOM 810 C ALA A 616 20.356 3.027 0.281 1.00 0.00 C ATOM 811 O ALA A 616 20.562 4.211 0.551 1.00 0.00 O ATOM 812 CB ALA A 616 20.845 1.911 -1.902 1.00 0.00 C ATOM 0 H ALA A 616 19.875 4.095 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 616 18.954 1.942 -0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.216 1.046 -1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.409 1.581 -2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.670 2.594 -2.104 1.00 0.00 H new ATOM 818 N ASP A 617 20.607 2.034 1.131 1.00 0.00 N ATOM 819 CA ASP A 617 21.153 2.276 2.463 1.00 0.00 C ATOM 820 C ASP A 617 20.254 3.220 3.258 1.00 0.00 C ATOM 821 O ASP A 617 20.736 4.037 4.043 1.00 0.00 O ATOM 822 CB ASP A 617 22.565 2.860 2.363 1.00 0.00 C ATOM 823 CG ASP A 617 23.603 1.981 3.032 1.00 0.00 C ATOM 824 OD1 ASP A 617 23.454 1.698 4.239 1.00 0.00 O ATOM 825 OD2 ASP A 617 24.565 1.573 2.348 1.00 0.00 O ATOM 0 H ASP A 617 20.440 1.050 0.919 1.00 0.00 H new ATOM 0 HA ASP A 617 21.200 1.321 2.986 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.827 2.992 1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.580 3.849 2.822 1.00 0.00 H new ATOM 830 N THR A 618 18.947 3.104 3.046 1.00 0.00 N ATOM 831 CA THR A 618 17.981 3.949 3.740 1.00 0.00 C ATOM 832 C THR A 618 16.774 3.140 4.207 1.00 0.00 C ATOM 833 O THR A 618 16.357 2.189 3.545 1.00 0.00 O ATOM 834 CB THR A 618 17.492 5.096 2.837 1.00 0.00 C ATOM 835 OG1 THR A 618 18.569 5.570 2.019 1.00 0.00 O ATOM 836 CG2 THR A 618 16.939 6.245 3.667 1.00 0.00 C ATOM 0 H THR A 618 18.532 2.433 2.399 1.00 0.00 H new ATOM 0 HA THR A 618 18.493 4.367 4.607 1.00 0.00 H new ATOM 0 HB THR A 618 16.694 4.711 2.202 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.555 5.104 1.157 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.600 7.042 3.005 1.00 0.00 H new ATOM 0 HG22 THR A 618 16.100 5.890 4.266 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.719 6.627 4.325 1.00 0.00 H new ATOM 844 N SER A 619 16.214 3.530 5.349 1.00 0.00 N ATOM 845 CA SER A 619 15.049 2.847 5.904 1.00 0.00 C ATOM 846 C SER A 619 13.761 3.474 5.382 1.00 0.00 C ATOM 847 O SER A 619 13.644 4.698 5.306 1.00 0.00 O ATOM 848 CB SER A 619 15.076 2.902 7.433 1.00 0.00 C ATOM 849 OG SER A 619 16.295 3.452 7.902 1.00 0.00 O ATOM 0 H SER A 619 16.548 4.315 5.908 1.00 0.00 H new ATOM 0 HA SER A 619 15.082 1.804 5.589 1.00 0.00 H new ATOM 0 HB2 SER A 619 14.240 3.502 7.793 1.00 0.00 H new ATOM 0 HB3 SER A 619 14.946 1.899 7.838 1.00 0.00 H new ATOM 0 HG SER A 619 16.287 3.478 8.882 1.00 0.00 H new ATOM 855 N TYR A 620 12.799 2.633 5.015 1.00 0.00 N ATOM 856 CA TYR A 620 11.527 3.114 4.492 1.00 0.00 C ATOM 857 C TYR A 620 10.349 2.363 5.102 1.00 0.00 C ATOM 858 O TYR A 620 10.399 1.146 5.281 1.00 0.00 O ATOM 859 CB TYR A 620 11.488 2.960 2.970 1.00 0.00 C ATOM 860 CG TYR A 620 12.485 3.829 2.238 1.00 0.00 C ATOM 861 CD1 TYR A 620 12.457 5.211 2.374 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.456 3.270 1.416 1.00 0.00 C ATOM 863 CE1 TYR A 620 13.367 6.012 1.711 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.369 4.065 0.749 1.00 0.00 C ATOM 865 CZ TYR A 620 14.317 5.422 0.881 1.00 0.00 C ATOM 866 OH TYR A 620 15.228 6.229 0.239 1.00 0.00 O ATOM 0 H TYR A 620 12.877 1.617 5.070 1.00 0.00 H new ATOM 0 HA TYR A 620 11.442 4.167 4.761 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.675 1.917 2.716 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.485 3.199 2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 620 11.712 5.667 3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.498 2.197 1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 620 13.342 7.085 1.835 1.00 0.00 H new ATOM 0 HE2 TYR A 620 15.124 3.612 0.123 1.00 0.00 H new ATOM 0 HH TYR A 620 16.030 5.709 0.021 1.00 0.00 H new ATOM 876 N THR A 621 9.283 3.099 5.394 1.00 0.00 N ATOM 877 CA THR A 621 8.074 2.513 5.957 1.00 0.00 C ATOM 878 C THR A 621 6.945 2.593 4.935 1.00 0.00 C ATOM 879 O THR A 621 6.764 3.626 4.290 1.00 0.00 O ATOM 880 CB THR A 621 7.641 3.230 7.250 1.00 0.00 C ATOM 881 OG1 THR A 621 7.872 4.639 7.131 1.00 0.00 O ATOM 882 CG2 THR A 621 8.400 2.687 8.451 1.00 0.00 C ATOM 0 H THR A 621 9.232 4.107 5.249 1.00 0.00 H new ATOM 0 HA THR A 621 8.290 1.473 6.203 1.00 0.00 H new ATOM 0 HB THR A 621 6.577 3.048 7.400 1.00 0.00 H new ATOM 0 HG1 THR A 621 7.592 5.087 7.956 1.00 0.00 H new ATOM 0 HG21 THR A 621 8.077 3.209 9.352 1.00 0.00 H new ATOM 0 HG22 THR A 621 8.199 1.621 8.557 1.00 0.00 H new ATOM 0 HG23 THR A 621 9.469 2.841 8.306 1.00 0.00 H new ATOM 890 N PHE A 622 6.201 1.506 4.768 1.00 0.00 N ATOM 891 CA PHE A 622 5.114 1.490 3.793 1.00 0.00 C ATOM 892 C PHE A 622 3.788 1.062 4.409 1.00 0.00 C ATOM 893 O PHE A 622 3.747 0.452 5.476 1.00 0.00 O ATOM 894 CB PHE A 622 5.463 0.564 2.626 1.00 0.00 C ATOM 895 CG PHE A 622 6.541 1.104 1.728 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.335 2.259 0.990 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.762 0.455 1.623 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.327 2.758 0.166 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.757 0.949 0.800 1.00 0.00 C ATOM 900 CZ PHE A 622 8.539 2.102 0.071 1.00 0.00 C ATOM 0 H PHE A 622 6.326 0.636 5.286 1.00 0.00 H new ATOM 0 HA PHE A 622 4.995 2.512 3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.781 -0.401 3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.565 0.385 2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.389 2.775 1.059 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.938 -0.447 2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.154 3.660 -0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.704 0.434 0.727 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.315 2.490 -0.572 1.00 0.00 H new ATOM 910 N THR A 623 2.709 1.391 3.707 1.00 0.00 N ATOM 911 CA THR A 623 1.358 1.056 4.139 1.00 0.00 C ATOM 912 C THR A 623 0.408 1.113 2.950 1.00 0.00 C ATOM 913 O THR A 623 0.708 1.755 1.944 1.00 0.00 O ATOM 914 CB THR A 623 0.855 2.020 5.230 1.00 0.00 C ATOM 915 OG1 THR A 623 1.487 3.297 5.084 1.00 0.00 O ATOM 916 CG2 THR A 623 1.139 1.466 6.618 1.00 0.00 C ATOM 0 H THR A 623 2.747 1.897 2.822 1.00 0.00 H new ATOM 0 HA THR A 623 1.384 0.049 4.555 1.00 0.00 H new ATOM 0 HB THR A 623 -0.223 2.131 5.115 1.00 0.00 H new ATOM 0 HG1 THR A 623 1.161 3.905 5.780 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.774 2.165 7.370 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.633 0.508 6.738 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.213 1.328 6.742 1.00 0.00 H new ATOM 924 N VAL A 624 -0.733 0.444 3.057 1.00 0.00 N ATOM 925 CA VAL A 624 -1.702 0.441 1.968 1.00 0.00 C ATOM 926 C VAL A 624 -3.067 0.924 2.435 1.00 0.00 C ATOM 927 O VAL A 624 -3.420 0.793 3.607 1.00 0.00 O ATOM 928 CB VAL A 624 -1.848 -0.953 1.331 1.00 0.00 C ATOM 929 CG1 VAL A 624 -0.966 -1.065 0.097 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.513 -2.047 2.332 1.00 0.00 C ATOM 0 H VAL A 624 -1.008 -0.098 3.876 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.317 1.130 1.216 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.887 -1.083 1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.080 -2.056 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.261 -0.309 -0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 624 0.076 -0.910 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.624 -3.022 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.485 -1.925 2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -2.189 -1.980 3.184 1.00 0.00 H new ATOM 940 N LYS A 625 -3.828 1.489 1.505 1.00 0.00 N ATOM 941 CA LYS A 625 -5.155 2.004 1.806 1.00 0.00 C ATOM 942 C LYS A 625 -6.133 1.667 0.687 1.00 0.00 C ATOM 943 O LYS A 625 -5.791 1.746 -0.491 1.00 0.00 O ATOM 944 CB LYS A 625 -5.093 3.514 2.010 1.00 0.00 C ATOM 945 CG LYS A 625 -4.900 3.912 3.461 1.00 0.00 C ATOM 946 CD LYS A 625 -5.993 4.858 3.922 1.00 0.00 C ATOM 947 CE LYS A 625 -5.554 5.670 5.129 1.00 0.00 C ATOM 948 NZ LYS A 625 -6.038 7.077 5.061 1.00 0.00 N ATOM 0 H LYS A 625 -3.545 1.602 0.531 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.508 1.533 2.723 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.275 3.921 1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -6.013 3.963 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.899 3.020 4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -3.928 4.389 3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.261 5.531 3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -6.888 4.288 4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -5.930 5.201 6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -4.466 5.664 5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -5.975 7.512 6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -5.450 7.614 4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -7.027 7.089 4.740 1.00 0.00 H new ATOM 962 N ALA A 626 -7.350 1.289 1.059 1.00 0.00 N ATOM 963 CA ALA A 626 -8.371 0.941 0.078 1.00 0.00 C ATOM 964 C ALA A 626 -9.263 2.139 -0.231 1.00 0.00 C ATOM 965 O ALA A 626 -9.968 2.640 0.643 1.00 0.00 O ATOM 966 CB ALA A 626 -9.207 -0.227 0.578 1.00 0.00 C ATOM 0 H ALA A 626 -7.654 1.216 2.030 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.870 0.645 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.965 -0.476 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.563 -1.091 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.693 0.048 1.514 1.00 0.00 H new ATOM 972 N LYS A 627 -9.228 2.595 -1.479 1.00 0.00 N ATOM 973 CA LYS A 627 -10.036 3.736 -1.898 1.00 0.00 C ATOM 974 C LYS A 627 -11.176 3.296 -2.811 1.00 0.00 C ATOM 975 O LYS A 627 -11.047 2.327 -3.559 1.00 0.00 O ATOM 976 CB LYS A 627 -9.166 4.772 -2.611 1.00 0.00 C ATOM 977 CG LYS A 627 -8.428 4.221 -3.821 1.00 0.00 C ATOM 978 CD LYS A 627 -8.824 4.952 -5.096 1.00 0.00 C ATOM 979 CE LYS A 627 -7.715 5.874 -5.576 1.00 0.00 C ATOM 980 NZ LYS A 627 -8.255 7.086 -6.252 1.00 0.00 N ATOM 0 H LYS A 627 -8.650 2.193 -2.217 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.467 4.187 -1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -9.794 5.605 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -8.439 5.172 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.353 4.314 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -8.644 3.158 -3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -9.058 4.226 -5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -9.730 5.532 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -7.100 6.175 -4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -7.066 5.333 -6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -7.467 7.689 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -8.821 6.801 -7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -8.854 7.616 -5.588 1.00 0.00 H new ATOM 994 N ASP A 628 -12.292 4.016 -2.744 1.00 0.00 N ATOM 995 CA ASP A 628 -13.458 3.703 -3.563 1.00 0.00 C ATOM 996 C ASP A 628 -13.759 4.841 -4.533 1.00 0.00 C ATOM 997 O ASP A 628 -13.180 5.923 -4.434 1.00 0.00 O ATOM 998 CB ASP A 628 -14.675 3.436 -2.675 1.00 0.00 C ATOM 999 CG ASP A 628 -14.634 2.064 -2.031 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -13.527 1.613 -1.665 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -15.706 1.439 -1.894 1.00 0.00 O ATOM 0 H ASP A 628 -12.413 4.821 -2.130 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.237 2.805 -4.141 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -14.727 4.198 -1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -15.583 3.527 -3.271 1.00 0.00 H new ATOM 1006 N ALA A 629 -14.668 4.588 -5.472 1.00 0.00 N ATOM 1007 CA ALA A 629 -15.046 5.590 -6.460 1.00 0.00 C ATOM 1008 C ALA A 629 -16.015 6.609 -5.868 1.00 0.00 C ATOM 1009 O ALA A 629 -16.254 7.666 -6.451 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.662 4.920 -7.679 1.00 0.00 C ATOM 0 H ALA A 629 -15.155 3.697 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.145 6.121 -6.766 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -15.940 5.679 -8.410 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -14.938 4.237 -8.123 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.550 4.363 -7.379 1.00 0.00 H new ATOM 1016 N ALA A 630 -16.570 6.282 -4.704 1.00 0.00 N ATOM 1017 CA ALA A 630 -17.512 7.167 -4.030 1.00 0.00 C ATOM 1018 C ALA A 630 -16.779 8.222 -3.205 1.00 0.00 C ATOM 1019 O ALA A 630 -17.401 9.000 -2.480 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.453 6.361 -3.147 1.00 0.00 C ATOM 0 H ALA A 630 -16.383 5.410 -4.209 1.00 0.00 H new ATOM 0 HA ALA A 630 -18.099 7.682 -4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.151 7.034 -2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -19.008 5.651 -3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.875 5.820 -2.398 1.00 0.00 H new ATOM 1026 N GLY A 631 -15.455 8.242 -3.322 1.00 0.00 N ATOM 1027 CA GLY A 631 -14.656 9.205 -2.585 1.00 0.00 C ATOM 1028 C GLY A 631 -14.393 8.766 -1.158 1.00 0.00 C ATOM 1029 O GLY A 631 -13.775 9.495 -0.381 1.00 0.00 O ATOM 0 H GLY A 631 -14.920 7.607 -3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -13.706 9.353 -3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -15.167 10.168 -2.578 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.864 7.573 -0.813 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.677 7.034 0.529 1.00 0.00 C ATOM 1035 C ASN A 632 -13.462 6.115 0.580 1.00 0.00 C ATOM 1036 O ASN A 632 -13.377 5.141 -0.169 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.927 6.272 0.972 1.00 0.00 C ATOM 1038 CG ASN A 632 -17.203 7.040 0.696 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -17.353 8.188 1.115 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -18.130 6.409 -0.014 1.00 0.00 N ATOM 0 H ASN A 632 -15.379 6.960 -1.445 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.508 7.868 1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.965 5.313 0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.859 6.058 2.039 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -19.010 6.876 -0.233 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -17.962 5.457 -0.341 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.526 6.428 1.470 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.316 5.628 1.617 1.00 0.00 C ATOM 1049 C VAL A 633 -11.188 5.080 3.035 1.00 0.00 C ATOM 1050 O VAL A 633 -11.429 5.789 4.013 1.00 0.00 O ATOM 1051 CB VAL A 633 -10.056 6.442 1.267 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -9.970 7.688 2.130 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -8.805 5.589 1.420 1.00 0.00 C ATOM 0 H VAL A 633 -12.582 7.229 2.099 1.00 0.00 H new ATOM 0 HA VAL A 633 -11.400 4.795 0.919 1.00 0.00 H new ATOM 0 HB VAL A 633 -10.127 6.754 0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -9.074 8.250 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -10.850 8.309 1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -9.925 7.401 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -7.927 6.183 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -8.725 5.242 2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -8.866 4.730 0.752 1.00 0.00 H new ATOM 1063 N SER A 634 -10.808 3.810 3.135 1.00 0.00 N ATOM 1064 CA SER A 634 -10.644 3.151 4.427 1.00 0.00 C ATOM 1065 C SER A 634 -9.445 3.719 5.181 1.00 0.00 C ATOM 1066 O SER A 634 -8.896 4.754 4.805 1.00 0.00 O ATOM 1067 CB SER A 634 -10.463 1.645 4.222 1.00 0.00 C ATOM 1068 OG SER A 634 -9.726 1.379 3.043 1.00 0.00 O ATOM 0 H SER A 634 -10.607 3.214 2.332 1.00 0.00 H new ATOM 0 HA SER A 634 -11.540 3.332 5.021 1.00 0.00 H new ATOM 0 HB2 SER A 634 -9.948 1.217 5.082 1.00 0.00 H new ATOM 0 HB3 SER A 634 -11.439 1.163 4.162 1.00 0.00 H new ATOM 0 HG SER A 634 -9.083 2.102 2.889 1.00 0.00 H new ATOM 1074 N ALA A 635 -9.043 3.030 6.245 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.906 3.459 7.050 1.00 0.00 C ATOM 1076 C ALA A 635 -6.609 2.866 6.512 1.00 0.00 C ATOM 1077 O ALA A 635 -6.611 2.157 5.506 1.00 0.00 O ATOM 1078 CB ALA A 635 -8.112 3.062 8.504 1.00 0.00 C ATOM 0 H ALA A 635 -9.489 2.172 6.569 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.832 4.545 6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.256 3.388 9.095 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -9.017 3.534 8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.210 1.979 8.575 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.499 3.160 7.184 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.199 2.651 6.765 1.00 0.00 C ATOM 1086 C ALA A 636 -3.971 1.235 7.287 1.00 0.00 C ATOM 1087 O ALA A 636 -4.421 0.887 8.379 1.00 0.00 O ATOM 1088 CB ALA A 636 -3.088 3.577 7.238 1.00 0.00 C ATOM 0 H ALA A 636 -5.475 3.746 8.018 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.185 2.616 5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.124 3.182 6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.235 4.569 6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -3.108 3.644 8.326 1.00 0.00 H new ATOM 1094 N SER A 637 -3.271 0.426 6.498 1.00 0.00 N ATOM 1095 CA SER A 637 -2.982 -0.954 6.877 1.00 0.00 C ATOM 1096 C SER A 637 -1.770 -1.023 7.802 1.00 0.00 C ATOM 1097 O SER A 637 -1.345 -0.012 8.360 1.00 0.00 O ATOM 1098 CB SER A 637 -2.728 -1.802 5.629 1.00 0.00 C ATOM 1099 OG SER A 637 -1.359 -1.770 5.263 1.00 0.00 O ATOM 0 H SER A 637 -2.893 0.702 5.592 1.00 0.00 H new ATOM 0 HA SER A 637 -3.848 -1.347 7.410 1.00 0.00 H new ATOM 0 HB2 SER A 637 -3.034 -2.831 5.816 1.00 0.00 H new ATOM 0 HB3 SER A 637 -3.337 -1.433 4.804 1.00 0.00 H new ATOM 0 HG SER A 637 -0.993 -2.679 5.284 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.215 -2.222 7.950 1.00 0.00 N ATOM 1106 CA ASN A 638 -0.047 -2.426 8.797 1.00 0.00 C ATOM 1107 C ASN A 638 1.170 -1.715 8.214 1.00 0.00 C ATOM 1108 O ASN A 638 1.313 -1.611 6.996 1.00 0.00 O ATOM 1109 CB ASN A 638 0.245 -3.921 8.945 1.00 0.00 C ATOM 1110 CG ASN A 638 0.558 -4.314 10.375 1.00 0.00 C ATOM 1111 OD1 ASN A 638 -0.268 -4.913 11.063 1.00 0.00 O ATOM 1112 ND2 ASN A 638 1.760 -3.978 10.830 1.00 0.00 N ATOM 0 H ASN A 638 -1.557 -3.068 7.493 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.259 -2.006 9.780 1.00 0.00 H new ATOM 0 HB2 ASN A 638 -0.615 -4.492 8.595 1.00 0.00 H new ATOM 0 HB3 ASN A 638 1.087 -4.188 8.306 1.00 0.00 H new ATOM 0 HD21 ASN A 638 2.029 -4.217 11.785 1.00 0.00 H new ATOM 0 HD22 ASN A 638 2.414 -3.482 10.225 1.00 0.00 H new ATOM 1119 N ALA A 639 2.042 -1.224 9.088 1.00 0.00 N ATOM 1120 CA ALA A 639 3.241 -0.520 8.652 1.00 0.00 C ATOM 1121 C ALA A 639 4.329 -1.499 8.223 1.00 0.00 C ATOM 1122 O ALA A 639 4.427 -2.607 8.751 1.00 0.00 O ATOM 1123 CB ALA A 639 3.752 0.389 9.759 1.00 0.00 C ATOM 0 H ALA A 639 1.941 -1.301 10.100 1.00 0.00 H new ATOM 0 HA ALA A 639 2.979 0.091 7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.648 0.908 9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 639 2.984 1.119 10.014 1.00 0.00 H new ATOM 0 HB3 ALA A 639 3.991 -0.208 10.639 1.00 0.00 H new ATOM 1129 N VAL A 640 5.144 -1.078 7.262 1.00 0.00 N ATOM 1130 CA VAL A 640 6.228 -1.910 6.759 1.00 0.00 C ATOM 1131 C VAL A 640 7.579 -1.291 7.085 1.00 0.00 C ATOM 1132 O VAL A 640 7.679 -0.087 7.313 1.00 0.00 O ATOM 1133 CB VAL A 640 6.116 -2.125 5.230 1.00 0.00 C ATOM 1134 CG1 VAL A 640 7.268 -1.460 4.485 1.00 0.00 C ATOM 1135 CG2 VAL A 640 6.070 -3.604 4.906 1.00 0.00 C ATOM 0 H VAL A 640 5.073 -0.164 6.816 1.00 0.00 H new ATOM 0 HA VAL A 640 6.146 -2.878 7.253 1.00 0.00 H new ATOM 0 HB VAL A 640 5.188 -1.658 4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 640 7.156 -1.632 3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 640 7.259 -0.388 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 640 8.213 -1.884 4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 640 5.991 -3.738 3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 640 6.980 -4.084 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 640 5.205 -4.056 5.392 1.00 0.00 H new ATOM 1145 N SER A 641 8.617 -2.120 7.090 1.00 0.00 N ATOM 1146 CA SER A 641 9.962 -1.645 7.370 1.00 0.00 C ATOM 1147 C SER A 641 10.987 -2.395 6.526 1.00 0.00 C ATOM 1148 O SER A 641 11.297 -3.556 6.793 1.00 0.00 O ATOM 1149 CB SER A 641 10.287 -1.804 8.856 1.00 0.00 C ATOM 1150 OG SER A 641 11.609 -1.375 9.137 1.00 0.00 O ATOM 0 H SER A 641 8.551 -3.121 6.904 1.00 0.00 H new ATOM 0 HA SER A 641 10.009 -0.587 7.111 1.00 0.00 H new ATOM 0 HB2 SER A 641 9.579 -1.226 9.450 1.00 0.00 H new ATOM 0 HB3 SER A 641 10.170 -2.848 9.148 1.00 0.00 H new ATOM 0 HG SER A 641 11.792 -1.485 10.093 1.00 0.00 H new ATOM 1156 N VAL A 642 11.508 -1.720 5.505 1.00 0.00 N ATOM 1157 CA VAL A 642 12.498 -2.318 4.618 1.00 0.00 C ATOM 1158 C VAL A 642 13.768 -1.478 4.568 1.00 0.00 C ATOM 1159 O VAL A 642 13.711 -0.249 4.538 1.00 0.00 O ATOM 1160 CB VAL A 642 11.949 -2.479 3.187 1.00 0.00 C ATOM 1161 CG1 VAL A 642 11.153 -3.769 3.060 1.00 0.00 C ATOM 1162 CG2 VAL A 642 11.097 -1.278 2.803 1.00 0.00 C ATOM 0 H VAL A 642 11.260 -0.758 5.272 1.00 0.00 H new ATOM 0 HA VAL A 642 12.730 -3.303 5.023 1.00 0.00 H new ATOM 0 HB VAL A 642 12.793 -2.532 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 642 10.774 -3.864 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.797 -4.618 3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.316 -3.751 3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 642 10.718 -1.410 1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.259 -1.190 3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 642 11.702 -0.373 2.849 1.00 0.00 H new ATOM 1172 N LYS A 643 14.914 -2.152 4.553 1.00 0.00 N ATOM 1173 CA LYS A 643 16.201 -1.471 4.502 1.00 0.00 C ATOM 1174 C LYS A 643 16.914 -1.765 3.186 1.00 0.00 C ATOM 1175 O LYS A 643 17.489 -2.839 3.009 1.00 0.00 O ATOM 1176 CB LYS A 643 17.078 -1.901 5.680 1.00 0.00 C ATOM 1177 CG LYS A 643 17.566 -0.740 6.534 1.00 0.00 C ATOM 1178 CD LYS A 643 18.802 -0.085 5.938 1.00 0.00 C ATOM 1179 CE LYS A 643 19.999 -1.024 5.956 1.00 0.00 C ATOM 1180 NZ LYS A 643 21.217 -0.360 6.493 1.00 0.00 N ATOM 0 H LYS A 643 14.976 -3.170 4.575 1.00 0.00 H new ATOM 0 HA LYS A 643 16.022 -0.398 4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 643 16.515 -2.591 6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 643 17.940 -2.448 5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 643 16.772 0.001 6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 643 17.792 -1.097 7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 643 18.594 0.220 4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 643 19.040 0.820 6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 643 19.765 -1.899 6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 643 20.196 -1.381 4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 22.010 -1.033 6.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 21.456 0.460 5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 21.038 -0.042 7.467 1.00 0.00 H new ATOM 1194 N THR A 644 16.868 -0.806 2.266 1.00 0.00 N ATOM 1195 CA THR A 644 17.507 -0.963 0.964 1.00 0.00 C ATOM 1196 C THR A 644 19.007 -0.705 1.053 1.00 0.00 C ATOM 1197 O THR A 644 19.656 -0.613 -0.011 1.00 0.00 O ATOM 1198 CB THR A 644 16.899 -0.011 -0.083 1.00 0.00 C ATOM 1199 OG1 THR A 644 17.028 1.347 0.353 1.00 0.00 O ATOM 1200 CG2 THR A 644 15.431 -0.333 -0.325 1.00 0.00 C ATOM 1201 OXT THR A 644 19.523 -0.596 2.185 1.00 0.00 O ATOM 0 H THR A 644 16.395 0.088 2.398 1.00 0.00 H new ATOM 0 HA THR A 644 17.333 -1.993 0.652 1.00 0.00 H new ATOM 0 HB THR A 644 17.442 -0.145 -1.018 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.374 1.905 -0.117 1.00 0.00 H new ATOM 0 HG21 THR A 644 15.026 0.354 -1.068 1.00 0.00 H new ATOM 0 HG22 THR A 644 15.338 -1.357 -0.688 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.877 -0.227 0.607 1.00 0.00 H new TER 1209 THR A 644