USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=35 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 618 THR OG1 : rot 142:sc= 1.43 USER MOD Set 1.2: A 620 TYR OH : rot 15:sc= 0.328 USER MOD Set 1.3: A 644 THR OG1 : rot 153:sc= 1.29 USER MOD Set 2.1: A 561 THR OG1 : rot -130:sc= 0.153 USER MOD Set 2.2: A 583 SER OG : rot -74:sc= 0.0637 USER MOD Set 2.3: A 584 THR OG1 : rot 180:sc= 0 USER MOD Set 2.4: A 586 ASN : amide:sc= 0.00326 X(o=0.22,f=0.15) USER MOD Set 3.1: A 572 THR OG1 : rot -144:sc= 1.26 USER MOD Set 3.2: A 574 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 575 SER OG : rot 180:sc= 0.532 USER MOD Set 4.1: A 568 SER OG : rot 89:sc= 0.657 USER MOD Set 4.2: A 571 GLN : amide:sc= -1.27! K(o=-0.62!,f=-1.8) USER MOD Set 5.1: A 564 THR OG1 : rot 180:sc= -0.121 USER MOD Set 5.2: A 565 ASN : amide:sc= -0.021 X(o=-0.14,f=-0.12) USER MOD Single : A 557 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 569 THR OG1 : rot 180:sc= 0.329 USER MOD Single : A 573 THR OG1 : rot 180:sc= 0 USER MOD Single : A 577 THR OG1 : rot 67:sc= 0.0298 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 THR OG1 : rot 180:sc= 0 USER MOD Single : A 592 TYR OH : rot 30:sc= -0.215 USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.18) USER MOD Single : A 598 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 THR OG1 : rot 153:sc= 0.124 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 619 SER OG : rot 180:sc= 0 USER MOD Single : A 621 THR OG1 : rot 180:sc= 0.00515 USER MOD Single : A 623 THR OG1 : rot 180:sc= 0 USER MOD Single : A 625 LYS NZ :NH3+ 172:sc= -0.323 (180deg=-0.436) USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 632 ASN : amide:sc= -2.2! C(o=-2.2!,f=-2.2!) USER MOD Single : A 634 SER OG : rot -90:sc= -0.0017 USER MOD Single : A 637 SER OG : rot 44:sc= 0.868 USER MOD Single : A 638 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.019) USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD Single : A 643 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.174) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 557 -21.352 -0.270 4.008 1.00 0.00 N ATOM 2 CA HIS A 557 -22.110 1.008 3.984 1.00 0.00 C ATOM 3 C HIS A 557 -21.438 2.031 3.073 1.00 0.00 C ATOM 4 O HIS A 557 -21.849 2.224 1.930 1.00 0.00 O ATOM 5 CB HIS A 557 -22.197 1.549 5.412 1.00 0.00 C ATOM 6 CG HIS A 557 -23.180 0.817 6.272 1.00 0.00 C ATOM 7 ND1 HIS A 557 -22.865 -0.337 6.959 1.00 0.00 N ATOM 8 CD2 HIS A 557 -24.476 1.080 6.556 1.00 0.00 C ATOM 9 CE1 HIS A 557 -23.926 -0.751 7.628 1.00 0.00 C ATOM 10 NE2 HIS A 557 -24.917 0.091 7.402 1.00 0.00 N ATOM 0 HA HIS A 557 -23.109 0.824 3.590 1.00 0.00 H new ATOM 0 HB2 HIS A 557 -21.211 1.493 5.873 1.00 0.00 H new ATOM 0 HB3 HIS A 557 -22.473 2.603 5.376 1.00 0.00 H new ATOM 0 HD2 HIS A 557 -25.056 1.913 6.187 1.00 0.00 H new ATOM 0 HE1 HIS A 557 -23.974 -1.630 8.254 1.00 0.00 H new ATOM 0 HE2 HIS A 557 -25.857 0.019 7.792 1.00 0.00 H new ATOM 21 N MET A 558 -20.401 2.683 3.590 1.00 0.00 N ATOM 22 CA MET A 558 -19.670 3.686 2.826 1.00 0.00 C ATOM 23 C MET A 558 -18.188 3.336 2.751 1.00 0.00 C ATOM 24 O MET A 558 -17.657 3.072 1.672 1.00 0.00 O ATOM 25 CB MET A 558 -19.847 5.068 3.458 1.00 0.00 C ATOM 26 CG MET A 558 -21.161 5.740 3.094 1.00 0.00 C ATOM 27 SD MET A 558 -20.979 7.512 2.808 1.00 0.00 S ATOM 28 CE MET A 558 -22.690 8.040 2.845 1.00 0.00 C ATOM 0 H MET A 558 -20.049 2.534 4.535 1.00 0.00 H new ATOM 0 HA MET A 558 -20.074 3.702 1.814 1.00 0.00 H new ATOM 0 HB2 MET A 558 -19.785 4.973 4.542 1.00 0.00 H new ATOM 0 HB3 MET A 558 -19.022 5.709 3.147 1.00 0.00 H new ATOM 0 HG2 MET A 558 -21.568 5.271 2.198 1.00 0.00 H new ATOM 0 HG3 MET A 558 -21.882 5.577 3.895 1.00 0.00 H new ATOM 0 HE1 MET A 558 -22.742 9.117 2.683 1.00 0.00 H new ATOM 0 HE2 MET A 558 -23.246 7.527 2.060 1.00 0.00 H new ATOM 0 HE3 MET A 558 -23.125 7.798 3.815 1.00 0.00 H new ATOM 38 N ALA A 559 -17.527 3.334 3.904 1.00 0.00 N ATOM 39 CA ALA A 559 -16.106 3.015 3.973 1.00 0.00 C ATOM 40 C ALA A 559 -15.850 1.563 3.578 1.00 0.00 C ATOM 41 O ALA A 559 -16.587 0.664 3.982 1.00 0.00 O ATOM 42 CB ALA A 559 -15.569 3.285 5.371 1.00 0.00 C ATOM 0 H ALA A 559 -17.954 3.550 4.805 1.00 0.00 H new ATOM 0 HA ALA A 559 -15.581 3.656 3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -14.507 3.042 5.406 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -15.709 4.338 5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -16.106 2.669 6.092 1.00 0.00 H new ATOM 48 N PRO A 560 -14.796 1.312 2.779 1.00 0.00 N ATOM 49 CA PRO A 560 -14.447 -0.040 2.334 1.00 0.00 C ATOM 50 C PRO A 560 -13.756 -0.848 3.428 1.00 0.00 C ATOM 51 O PRO A 560 -14.010 -0.644 4.616 1.00 0.00 O ATOM 52 CB PRO A 560 -13.492 0.220 1.173 1.00 0.00 C ATOM 53 CG PRO A 560 -12.826 1.504 1.522 1.00 0.00 C ATOM 54 CD PRO A 560 -13.860 2.324 2.247 1.00 0.00 C ATOM 0 HA PRO A 560 -15.324 -0.628 2.063 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.767 -0.587 1.066 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -14.028 0.295 0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -11.953 1.332 2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.477 2.019 0.627 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.414 2.916 3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.362 3.021 1.576 1.00 0.00 H new ATOM 62 N THR A 561 -12.880 -1.762 3.023 1.00 0.00 N ATOM 63 CA THR A 561 -12.152 -2.594 3.973 1.00 0.00 C ATOM 64 C THR A 561 -10.660 -2.283 3.942 1.00 0.00 C ATOM 65 O THR A 561 -9.987 -2.523 2.939 1.00 0.00 O ATOM 66 CB THR A 561 -12.358 -4.093 3.686 1.00 0.00 C ATOM 67 OG1 THR A 561 -13.569 -4.291 2.947 1.00 0.00 O ATOM 68 CG2 THR A 561 -12.412 -4.888 4.981 1.00 0.00 C ATOM 0 H THR A 561 -12.658 -1.945 2.044 1.00 0.00 H new ATOM 0 HA THR A 561 -12.550 -2.365 4.962 1.00 0.00 H new ATOM 0 HB THR A 561 -11.513 -4.446 3.095 1.00 0.00 H new ATOM 0 HG1 THR A 561 -14.105 -4.990 3.378 1.00 0.00 H new ATOM 0 HG21 THR A 561 -12.558 -5.944 4.754 1.00 0.00 H new ATOM 0 HG22 THR A 561 -11.477 -4.760 5.526 1.00 0.00 H new ATOM 0 HG23 THR A 561 -13.240 -4.531 5.593 1.00 0.00 H new ATOM 76 N ALA A 562 -10.150 -1.751 5.048 1.00 0.00 N ATOM 77 CA ALA A 562 -8.737 -1.408 5.153 1.00 0.00 C ATOM 78 C ALA A 562 -7.859 -2.645 4.973 1.00 0.00 C ATOM 79 O ALA A 562 -8.070 -3.661 5.635 1.00 0.00 O ATOM 80 CB ALA A 562 -8.456 -0.754 6.499 1.00 0.00 C ATOM 0 H ALA A 562 -10.696 -1.548 5.885 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.496 -0.703 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.398 -0.502 6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -9.052 0.154 6.594 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.717 -1.445 7.301 1.00 0.00 H new ATOM 86 N PRO A 563 -6.857 -2.573 4.075 1.00 0.00 N ATOM 87 CA PRO A 563 -5.946 -3.693 3.820 1.00 0.00 C ATOM 88 C PRO A 563 -5.402 -4.289 5.113 1.00 0.00 C ATOM 89 O PRO A 563 -5.289 -3.597 6.126 1.00 0.00 O ATOM 90 CB PRO A 563 -4.816 -3.053 3.012 1.00 0.00 C ATOM 91 CG PRO A 563 -5.452 -1.897 2.322 1.00 0.00 C ATOM 92 CD PRO A 563 -6.532 -1.397 3.245 1.00 0.00 C ATOM 0 HA PRO A 563 -6.440 -4.517 3.305 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.001 -2.728 3.659 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.393 -3.758 2.296 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.721 -1.115 2.119 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -5.870 -2.199 1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.184 -0.562 3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.402 -1.046 2.690 1.00 0.00 H new ATOM 100 N THR A 564 -5.074 -5.575 5.078 1.00 0.00 N ATOM 101 CA THR A 564 -4.549 -6.255 6.255 1.00 0.00 C ATOM 102 C THR A 564 -3.468 -7.260 5.881 1.00 0.00 C ATOM 103 O THR A 564 -3.425 -7.756 4.755 1.00 0.00 O ATOM 104 CB THR A 564 -5.664 -6.983 7.031 1.00 0.00 C ATOM 105 OG1 THR A 564 -5.130 -8.140 7.689 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.792 -7.402 6.101 1.00 0.00 C ATOM 0 H THR A 564 -5.162 -6.166 4.251 1.00 0.00 H new ATOM 0 HA THR A 564 -4.116 -5.484 6.892 1.00 0.00 H new ATOM 0 HB THR A 564 -6.065 -6.293 7.774 1.00 0.00 H new ATOM 0 HG1 THR A 564 -5.845 -8.596 8.181 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.565 -7.913 6.674 1.00 0.00 H new ATOM 0 HG22 THR A 564 -7.218 -6.519 5.625 1.00 0.00 H new ATOM 0 HG23 THR A 564 -6.403 -8.074 5.337 1.00 0.00 H new ATOM 114 N ASN A 565 -2.601 -7.561 6.845 1.00 0.00 N ATOM 115 CA ASN A 565 -1.517 -8.514 6.642 1.00 0.00 C ATOM 116 C ASN A 565 -0.592 -8.084 5.507 1.00 0.00 C ATOM 117 O ASN A 565 -0.215 -8.897 4.662 1.00 0.00 O ATOM 118 CB ASN A 565 -2.084 -9.906 6.359 1.00 0.00 C ATOM 119 CG ASN A 565 -2.164 -10.762 7.607 1.00 0.00 C ATOM 120 OD1 ASN A 565 -1.700 -11.901 7.624 1.00 0.00 O ATOM 121 ND2 ASN A 565 -2.759 -10.214 8.661 1.00 0.00 N ATOM 0 H ASN A 565 -2.630 -7.154 7.780 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.927 -8.544 7.558 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -3.079 -9.809 5.924 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -1.460 -10.406 5.618 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -2.845 -10.742 9.530 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -3.130 -9.266 8.602 1.00 0.00 H new ATOM 128 N LEU A 566 -0.216 -6.807 5.495 1.00 0.00 N ATOM 129 CA LEU A 566 0.680 -6.296 4.462 1.00 0.00 C ATOM 130 C LEU A 566 2.060 -6.924 4.607 1.00 0.00 C ATOM 131 O LEU A 566 2.428 -7.385 5.688 1.00 0.00 O ATOM 132 CB LEU A 566 0.790 -4.771 4.536 1.00 0.00 C ATOM 133 CG LEU A 566 1.820 -4.154 3.587 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.385 -4.318 2.139 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.034 -2.690 3.912 1.00 0.00 C ATOM 0 H LEU A 566 -0.514 -6.114 6.181 1.00 0.00 H new ATOM 0 HA LEU A 566 0.264 -6.563 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -0.187 -4.340 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.043 -4.488 5.558 1.00 0.00 H new ATOM 0 HG LEU A 566 2.765 -4.680 3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.132 -3.872 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.284 -5.378 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.427 -3.821 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 566 2.770 -2.269 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.091 -2.153 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 566 2.395 -2.594 4.936 1.00 0.00 H new ATOM 147 N ALA A 567 2.819 -6.947 3.518 1.00 0.00 N ATOM 148 CA ALA A 567 4.155 -7.529 3.542 1.00 0.00 C ATOM 149 C ALA A 567 4.999 -7.074 2.357 1.00 0.00 C ATOM 150 O ALA A 567 4.489 -6.486 1.404 1.00 0.00 O ATOM 151 CB ALA A 567 4.066 -9.048 3.572 1.00 0.00 C ATOM 0 H ALA A 567 2.535 -6.572 2.613 1.00 0.00 H new ATOM 0 HA ALA A 567 4.648 -7.178 4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 567 5.070 -9.471 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.524 -9.363 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.540 -9.399 2.684 1.00 0.00 H new ATOM 157 N SER A 568 6.295 -7.371 2.424 1.00 0.00 N ATOM 158 CA SER A 568 7.227 -7.017 1.360 1.00 0.00 C ATOM 159 C SER A 568 7.952 -8.263 0.860 1.00 0.00 C ATOM 160 O SER A 568 8.258 -9.166 1.641 1.00 0.00 O ATOM 161 CB SER A 568 8.239 -5.985 1.859 1.00 0.00 C ATOM 162 OG SER A 568 9.159 -6.568 2.766 1.00 0.00 O ATOM 0 H SER A 568 6.724 -7.859 3.210 1.00 0.00 H new ATOM 0 HA SER A 568 6.663 -6.582 0.535 1.00 0.00 H new ATOM 0 HB2 SER A 568 8.778 -5.561 1.012 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.714 -5.163 2.347 1.00 0.00 H new ATOM 0 HG SER A 568 9.926 -6.923 2.271 1.00 0.00 H new ATOM 168 N THR A 569 8.219 -8.317 -0.442 1.00 0.00 N ATOM 169 CA THR A 569 8.899 -9.465 -1.028 1.00 0.00 C ATOM 170 C THR A 569 10.149 -9.044 -1.800 1.00 0.00 C ATOM 171 O THR A 569 11.252 -9.048 -1.254 1.00 0.00 O ATOM 172 CB THR A 569 7.962 -10.251 -1.965 1.00 0.00 C ATOM 173 OG1 THR A 569 7.259 -9.349 -2.828 1.00 0.00 O ATOM 174 CG2 THR A 569 6.963 -11.071 -1.163 1.00 0.00 C ATOM 0 H THR A 569 7.976 -7.583 -1.107 1.00 0.00 H new ATOM 0 HA THR A 569 9.198 -10.108 -0.201 1.00 0.00 H new ATOM 0 HB THR A 569 8.570 -10.928 -2.566 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.667 -9.858 -3.421 1.00 0.00 H new ATOM 0 HG21 THR A 569 6.311 -11.618 -1.844 1.00 0.00 H new ATOM 0 HG22 THR A 569 7.498 -11.777 -0.528 1.00 0.00 H new ATOM 0 HG23 THR A 569 6.363 -10.407 -0.542 1.00 0.00 H new ATOM 182 N ALA A 570 9.972 -8.689 -3.069 1.00 0.00 N ATOM 183 CA ALA A 570 11.091 -8.274 -3.908 1.00 0.00 C ATOM 184 C ALA A 570 11.446 -6.812 -3.669 1.00 0.00 C ATOM 185 O ALA A 570 10.806 -5.910 -4.211 1.00 0.00 O ATOM 186 CB ALA A 570 10.764 -8.506 -5.375 1.00 0.00 C ATOM 0 H ALA A 570 9.066 -8.680 -3.538 1.00 0.00 H new ATOM 0 HA ALA A 570 11.957 -8.878 -3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.607 -8.192 -5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.568 -9.565 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.881 -7.927 -5.647 1.00 0.00 H new ATOM 192 N GLN A 571 12.472 -6.582 -2.855 1.00 0.00 N ATOM 193 CA GLN A 571 12.913 -5.227 -2.546 1.00 0.00 C ATOM 194 C GLN A 571 14.347 -5.003 -3.013 1.00 0.00 C ATOM 195 O GLN A 571 15.297 -5.444 -2.366 1.00 0.00 O ATOM 196 CB GLN A 571 12.810 -4.960 -1.042 1.00 0.00 C ATOM 197 CG GLN A 571 11.603 -5.610 -0.384 1.00 0.00 C ATOM 198 CD GLN A 571 11.988 -6.593 0.708 1.00 0.00 C ATOM 199 OE1 GLN A 571 11.257 -7.544 0.985 1.00 0.00 O ATOM 200 NE2 GLN A 571 13.138 -6.369 1.335 1.00 0.00 N ATOM 0 H GLN A 571 13.013 -7.316 -2.398 1.00 0.00 H new ATOM 0 HA GLN A 571 12.261 -4.533 -3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 571 13.716 -5.322 -0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.767 -3.884 -0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 571 10.964 -4.835 0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 571 11.016 -6.128 -1.143 1.00 0.00 H new ATOM 0 HE21 GLN A 571 13.714 -5.569 1.074 1.00 0.00 H new ATOM 0 HE22 GLN A 571 13.445 -6.998 2.077 1.00 0.00 H new ATOM 209 N THR A 572 14.498 -4.312 -4.140 1.00 0.00 N ATOM 210 CA THR A 572 15.817 -4.028 -4.689 1.00 0.00 C ATOM 211 C THR A 572 16.383 -2.735 -4.103 1.00 0.00 C ATOM 212 O THR A 572 16.054 -2.361 -2.977 1.00 0.00 O ATOM 213 CB THR A 572 15.776 -3.926 -6.228 1.00 0.00 C ATOM 214 OG1 THR A 572 15.199 -2.678 -6.624 1.00 0.00 O ATOM 215 CG2 THR A 572 14.975 -5.072 -6.827 1.00 0.00 C ATOM 0 H THR A 572 13.723 -3.940 -4.689 1.00 0.00 H new ATOM 0 HA THR A 572 16.467 -4.858 -4.414 1.00 0.00 H new ATOM 0 HB THR A 572 16.799 -3.986 -6.598 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.667 -2.807 -7.437 1.00 0.00 H new ATOM 0 HG21 THR A 572 14.961 -4.978 -7.913 1.00 0.00 H new ATOM 0 HG22 THR A 572 15.435 -6.021 -6.551 1.00 0.00 H new ATOM 0 HG23 THR A 572 13.954 -5.040 -6.447 1.00 0.00 H new ATOM 223 N THR A 573 17.240 -2.057 -4.866 1.00 0.00 N ATOM 224 CA THR A 573 17.849 -0.812 -4.408 1.00 0.00 C ATOM 225 C THR A 573 17.158 0.407 -5.011 1.00 0.00 C ATOM 226 O THR A 573 17.235 1.507 -4.464 1.00 0.00 O ATOM 227 CB THR A 573 19.348 -0.759 -4.759 1.00 0.00 C ATOM 228 OG1 THR A 573 19.522 -0.832 -6.179 1.00 0.00 O ATOM 229 CG2 THR A 573 20.100 -1.900 -4.092 1.00 0.00 C ATOM 0 H THR A 573 17.526 -2.349 -5.800 1.00 0.00 H new ATOM 0 HA THR A 573 17.730 -0.790 -3.325 1.00 0.00 H new ATOM 0 HB THR A 573 19.751 0.185 -4.392 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.477 -0.796 -6.394 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.156 -1.842 -4.354 1.00 0.00 H new ATOM 0 HG22 THR A 573 19.990 -1.825 -3.010 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.693 -2.852 -4.433 1.00 0.00 H new ATOM 237 N SER A 574 16.489 0.210 -6.143 1.00 0.00 N ATOM 238 CA SER A 574 15.794 1.303 -6.816 1.00 0.00 C ATOM 239 C SER A 574 14.309 0.996 -6.984 1.00 0.00 C ATOM 240 O SER A 574 13.534 1.855 -7.405 1.00 0.00 O ATOM 241 CB SER A 574 16.427 1.572 -8.182 1.00 0.00 C ATOM 242 OG SER A 574 15.933 0.674 -9.159 1.00 0.00 O ATOM 0 H SER A 574 16.413 -0.692 -6.612 1.00 0.00 H new ATOM 0 HA SER A 574 15.890 2.192 -6.193 1.00 0.00 H new ATOM 0 HB2 SER A 574 16.218 2.597 -8.487 1.00 0.00 H new ATOM 0 HB3 SER A 574 17.510 1.475 -8.110 1.00 0.00 H new ATOM 0 HG SER A 574 16.352 0.868 -10.023 1.00 0.00 H new ATOM 248 N SER A 575 13.917 -0.231 -6.656 1.00 0.00 N ATOM 249 CA SER A 575 12.524 -0.645 -6.776 1.00 0.00 C ATOM 250 C SER A 575 12.101 -1.496 -5.583 1.00 0.00 C ATOM 251 O SER A 575 12.939 -1.982 -4.825 1.00 0.00 O ATOM 252 CB SER A 575 12.310 -1.428 -8.072 1.00 0.00 C ATOM 253 OG SER A 575 13.547 -1.754 -8.681 1.00 0.00 O ATOM 0 H SER A 575 14.544 -0.955 -6.305 1.00 0.00 H new ATOM 0 HA SER A 575 11.908 0.254 -6.795 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.753 -2.341 -7.861 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.706 -0.838 -8.761 1.00 0.00 H new ATOM 0 HG SER A 575 13.383 -2.256 -9.507 1.00 0.00 H new ATOM 259 N ILE A 576 10.793 -1.673 -5.427 1.00 0.00 N ATOM 260 CA ILE A 576 10.256 -2.467 -4.328 1.00 0.00 C ATOM 261 C ILE A 576 8.866 -3.002 -4.667 1.00 0.00 C ATOM 262 O ILE A 576 8.078 -2.334 -5.335 1.00 0.00 O ATOM 263 CB ILE A 576 10.183 -1.644 -3.025 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.672 -2.510 -1.872 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.295 -0.423 -3.214 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.827 -1.865 -0.512 1.00 0.00 C ATOM 0 H ILE A 576 10.086 -1.278 -6.047 1.00 0.00 H new ATOM 0 HA ILE A 576 10.935 -3.306 -4.177 1.00 0.00 H new ATOM 0 HB ILE A 576 11.187 -1.301 -2.777 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.619 -2.737 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.208 -3.459 -1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 576 9.255 0.145 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.703 0.205 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.289 -0.743 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.443 -2.537 0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.881 -1.663 -0.323 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.268 -0.929 -0.487 1.00 0.00 H new ATOM 278 N THR A 577 8.576 -4.213 -4.201 1.00 0.00 N ATOM 279 CA THR A 577 7.283 -4.839 -4.453 1.00 0.00 C ATOM 280 C THR A 577 6.565 -5.160 -3.146 1.00 0.00 C ATOM 281 O THR A 577 7.130 -5.800 -2.259 1.00 0.00 O ATOM 282 CB THR A 577 7.433 -6.132 -5.275 1.00 0.00 C ATOM 283 OG1 THR A 577 8.471 -5.978 -6.250 1.00 0.00 O ATOM 284 CG2 THR A 577 6.126 -6.481 -5.972 1.00 0.00 C ATOM 0 H THR A 577 9.218 -4.780 -3.647 1.00 0.00 H new ATOM 0 HA THR A 577 6.692 -4.123 -5.024 1.00 0.00 H new ATOM 0 HB THR A 577 7.694 -6.941 -4.593 1.00 0.00 H new ATOM 0 HG1 THR A 577 9.336 -5.899 -5.797 1.00 0.00 H new ATOM 0 HG21 THR A 577 6.254 -7.398 -6.547 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.344 -6.626 -5.227 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.843 -5.669 -6.642 1.00 0.00 H new ATOM 292 N LEU A 578 5.320 -4.708 -3.033 1.00 0.00 N ATOM 293 CA LEU A 578 4.527 -4.944 -1.833 1.00 0.00 C ATOM 294 C LEU A 578 3.260 -5.733 -2.155 1.00 0.00 C ATOM 295 O LEU A 578 2.571 -5.450 -3.135 1.00 0.00 O ATOM 296 CB LEU A 578 4.155 -3.614 -1.168 1.00 0.00 C ATOM 297 CG LEU A 578 5.282 -2.940 -0.381 1.00 0.00 C ATOM 298 CD1 LEU A 578 4.839 -1.575 0.120 1.00 0.00 C ATOM 299 CD2 LEU A 578 5.721 -3.816 0.784 1.00 0.00 C ATOM 0 H LEU A 578 4.839 -4.176 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 578 5.133 -5.532 -1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 578 3.810 -2.925 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 578 3.315 -3.785 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 578 6.132 -2.805 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.652 -1.110 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 578 4.574 -0.944 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 578 3.973 -1.690 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 578 6.523 -3.319 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.876 -3.984 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 578 6.079 -4.773 0.405 1.00 0.00 H new ATOM 311 N SER A 579 2.958 -6.720 -1.316 1.00 0.00 N ATOM 312 CA SER A 579 1.771 -7.550 -1.498 1.00 0.00 C ATOM 313 C SER A 579 0.929 -7.557 -0.225 1.00 0.00 C ATOM 314 O SER A 579 1.464 -7.623 0.881 1.00 0.00 O ATOM 315 CB SER A 579 2.171 -8.979 -1.870 1.00 0.00 C ATOM 316 OG SER A 579 1.043 -9.735 -2.274 1.00 0.00 O ATOM 0 H SER A 579 3.521 -6.965 -0.501 1.00 0.00 H new ATOM 0 HA SER A 579 1.178 -7.130 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 579 2.905 -8.957 -2.675 1.00 0.00 H new ATOM 0 HB3 SER A 579 2.649 -9.460 -1.017 1.00 0.00 H new ATOM 0 HG SER A 579 1.325 -10.644 -2.508 1.00 0.00 H new ATOM 322 N TRP A 580 -0.390 -7.482 -0.384 1.00 0.00 N ATOM 323 CA TRP A 580 -1.295 -7.471 0.762 1.00 0.00 C ATOM 324 C TRP A 580 -2.645 -8.086 0.410 1.00 0.00 C ATOM 325 O TRP A 580 -2.937 -8.342 -0.759 1.00 0.00 O ATOM 326 CB TRP A 580 -1.495 -6.040 1.260 1.00 0.00 C ATOM 327 CG TRP A 580 -2.148 -5.148 0.248 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.476 -4.846 0.157 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.502 -4.447 -0.820 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.696 -3.999 -0.902 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.501 -3.739 -1.518 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.177 -4.346 -1.256 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.214 -2.944 -2.625 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.106 -3.558 -2.354 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.910 -2.865 -3.027 1.00 0.00 C ATOM 0 H TRP A 580 -0.854 -7.428 -1.291 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.842 -8.072 1.551 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.103 -6.059 2.164 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.528 -5.619 1.535 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.242 -5.219 0.821 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.602 -3.625 -1.184 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.612 -4.876 -0.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -2.994 -2.409 -3.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.126 -3.474 -2.700 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.657 -2.255 -3.882 1.00 0.00 H new ATOM 346 N THR A 581 -3.465 -8.319 1.431 1.00 0.00 N ATOM 347 CA THR A 581 -4.788 -8.900 1.237 1.00 0.00 C ATOM 348 C THR A 581 -5.789 -7.847 0.776 1.00 0.00 C ATOM 349 O THR A 581 -5.884 -6.767 1.360 1.00 0.00 O ATOM 350 CB THR A 581 -5.311 -9.559 2.528 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.303 -10.410 3.088 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.568 -10.371 2.250 1.00 0.00 C ATOM 0 H THR A 581 -3.235 -8.113 2.403 1.00 0.00 H new ATOM 0 HA THR A 581 -4.686 -9.663 0.466 1.00 0.00 H new ATOM 0 HB THR A 581 -5.556 -8.770 3.239 1.00 0.00 H new ATOM 0 HG1 THR A 581 -4.643 -10.823 3.909 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.919 -10.827 3.176 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.343 -9.717 1.851 1.00 0.00 H new ATOM 0 HG23 THR A 581 -6.343 -11.152 1.524 1.00 0.00 H new ATOM 360 N ALA A 582 -6.535 -8.170 -0.275 1.00 0.00 N ATOM 361 CA ALA A 582 -7.532 -7.254 -0.815 1.00 0.00 C ATOM 362 C ALA A 582 -8.667 -7.034 0.178 1.00 0.00 C ATOM 363 O ALA A 582 -8.677 -7.615 1.264 1.00 0.00 O ATOM 364 CB ALA A 582 -8.076 -7.783 -2.134 1.00 0.00 C ATOM 0 H ALA A 582 -6.468 -9.059 -0.770 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.049 -6.293 -0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -8.820 -7.089 -2.526 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -7.260 -7.883 -2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.538 -8.757 -1.973 1.00 0.00 H new ATOM 370 N SER A 583 -9.622 -6.192 -0.200 1.00 0.00 N ATOM 371 CA SER A 583 -10.762 -5.893 0.656 1.00 0.00 C ATOM 372 C SER A 583 -11.858 -6.939 0.488 1.00 0.00 C ATOM 373 O SER A 583 -11.804 -7.769 -0.419 1.00 0.00 O ATOM 374 CB SER A 583 -11.314 -4.502 0.336 1.00 0.00 C ATOM 375 OG SER A 583 -12.506 -4.588 -0.427 1.00 0.00 O ATOM 0 H SER A 583 -9.629 -5.704 -1.096 1.00 0.00 H new ATOM 0 HA SER A 583 -10.423 -5.913 1.692 1.00 0.00 H new ATOM 0 HB2 SER A 583 -11.510 -3.963 1.263 1.00 0.00 H new ATOM 0 HB3 SER A 583 -10.567 -3.929 -0.214 1.00 0.00 H new ATOM 0 HG SER A 583 -12.288 -4.845 -1.347 1.00 0.00 H new ATOM 381 N THR A 584 -12.854 -6.888 1.366 1.00 0.00 N ATOM 382 CA THR A 584 -13.967 -7.827 1.315 1.00 0.00 C ATOM 383 C THR A 584 -15.174 -7.196 0.631 1.00 0.00 C ATOM 384 O THR A 584 -16.110 -7.891 0.233 1.00 0.00 O ATOM 385 CB THR A 584 -14.378 -8.295 2.724 1.00 0.00 C ATOM 386 OG1 THR A 584 -15.336 -7.388 3.283 1.00 0.00 O ATOM 387 CG2 THR A 584 -13.168 -8.389 3.641 1.00 0.00 C ATOM 0 H THR A 584 -12.913 -6.206 2.122 1.00 0.00 H new ATOM 0 HA THR A 584 -13.630 -8.691 0.742 1.00 0.00 H new ATOM 0 HB THR A 584 -14.824 -9.286 2.635 1.00 0.00 H new ATOM 0 HG1 THR A 584 -15.593 -7.694 4.178 1.00 0.00 H new ATOM 0 HG21 THR A 584 -13.485 -8.721 4.629 1.00 0.00 H new ATOM 0 HG22 THR A 584 -12.454 -9.103 3.230 1.00 0.00 H new ATOM 0 HG23 THR A 584 -12.696 -7.410 3.722 1.00 0.00 H new ATOM 395 N ASP A 585 -15.144 -5.873 0.500 1.00 0.00 N ATOM 396 CA ASP A 585 -16.233 -5.140 -0.134 1.00 0.00 C ATOM 397 C ASP A 585 -15.748 -4.413 -1.385 1.00 0.00 C ATOM 398 O ASP A 585 -15.814 -3.187 -1.470 1.00 0.00 O ATOM 399 CB ASP A 585 -16.839 -4.140 0.850 1.00 0.00 C ATOM 400 CG ASP A 585 -17.863 -4.779 1.768 1.00 0.00 C ATOM 401 OD1 ASP A 585 -17.541 -5.816 2.386 1.00 0.00 O ATOM 402 OD2 ASP A 585 -18.986 -4.244 1.868 1.00 0.00 O ATOM 0 H ASP A 585 -14.376 -5.287 0.825 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.997 -5.858 -0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -16.044 -3.697 1.450 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -17.309 -3.328 0.295 1.00 0.00 H new ATOM 407 N ASN A 586 -15.262 -5.182 -2.358 1.00 0.00 N ATOM 408 CA ASN A 586 -14.766 -4.615 -3.607 1.00 0.00 C ATOM 409 C ASN A 586 -15.918 -4.141 -4.488 1.00 0.00 C ATOM 410 O ASN A 586 -15.705 -3.657 -5.599 1.00 0.00 O ATOM 411 CB ASN A 586 -13.925 -5.647 -4.360 1.00 0.00 C ATOM 412 CG ASN A 586 -12.927 -6.348 -3.459 1.00 0.00 C ATOM 413 OD1 ASN A 586 -11.795 -5.892 -3.294 1.00 0.00 O ATOM 414 ND2 ASN A 586 -13.344 -7.463 -2.871 1.00 0.00 N ATOM 0 H ASN A 586 -15.202 -6.199 -2.304 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.143 -3.755 -3.363 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -14.584 -6.388 -4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -13.392 -5.154 -5.173 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -12.717 -7.979 -2.253 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -14.291 -7.804 -3.037 1.00 0.00 H new ATOM 421 N VAL A 587 -17.139 -4.285 -3.982 1.00 0.00 N ATOM 422 CA VAL A 587 -18.330 -3.873 -4.716 1.00 0.00 C ATOM 423 C VAL A 587 -18.355 -2.363 -4.930 1.00 0.00 C ATOM 424 O VAL A 587 -19.155 -1.851 -5.713 1.00 0.00 O ATOM 425 CB VAL A 587 -19.613 -4.297 -3.978 1.00 0.00 C ATOM 426 CG1 VAL A 587 -19.737 -5.812 -3.945 1.00 0.00 C ATOM 427 CG2 VAL A 587 -19.633 -3.722 -2.569 1.00 0.00 C ATOM 0 H VAL A 587 -17.330 -4.685 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 587 -18.292 -4.370 -5.685 1.00 0.00 H new ATOM 0 HB VAL A 587 -20.470 -3.899 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -20.650 -6.091 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -19.773 -6.196 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -18.876 -6.236 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -20.547 -4.032 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -18.769 -4.088 -2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -19.597 -2.634 -2.620 1.00 0.00 H new ATOM 437 N GLY A 588 -17.477 -1.655 -4.224 1.00 0.00 N ATOM 438 CA GLY A 588 -17.416 -0.210 -4.349 1.00 0.00 C ATOM 439 C GLY A 588 -15.996 0.303 -4.493 1.00 0.00 C ATOM 440 O GLY A 588 -15.780 1.427 -4.947 1.00 0.00 O ATOM 0 H GLY A 588 -16.807 -2.057 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -18.000 0.101 -5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.876 0.247 -3.473 1.00 0.00 H new ATOM 444 N VAL A 589 -15.025 -0.520 -4.105 1.00 0.00 N ATOM 445 CA VAL A 589 -13.620 -0.138 -4.194 1.00 0.00 C ATOM 446 C VAL A 589 -13.141 -0.140 -5.642 1.00 0.00 C ATOM 447 O VAL A 589 -13.604 -0.936 -6.459 1.00 0.00 O ATOM 448 CB VAL A 589 -12.724 -1.080 -3.366 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.342 -0.474 -3.178 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.367 -1.386 -2.022 1.00 0.00 C ATOM 0 H VAL A 589 -15.186 -1.454 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.542 0.871 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.614 -2.017 -3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.724 -1.153 -2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.880 -0.313 -4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.430 0.479 -2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.719 -2.052 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.511 -0.458 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.332 -1.867 -2.181 1.00 0.00 H new ATOM 460 N THR A 590 -12.210 0.758 -5.953 1.00 0.00 N ATOM 461 CA THR A 590 -11.668 0.862 -7.303 1.00 0.00 C ATOM 462 C THR A 590 -10.171 0.572 -7.320 1.00 0.00 C ATOM 463 O THR A 590 -9.693 -0.226 -8.128 1.00 0.00 O ATOM 464 CB THR A 590 -11.915 2.259 -7.902 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.788 3.259 -6.884 1.00 0.00 O ATOM 466 CG2 THR A 590 -13.298 2.341 -8.531 1.00 0.00 C ATOM 0 H THR A 590 -11.816 1.424 -5.288 1.00 0.00 H new ATOM 0 HA THR A 590 -12.186 0.118 -7.908 1.00 0.00 H new ATOM 0 HB THR A 590 -11.169 2.434 -8.677 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.945 4.144 -7.274 1.00 0.00 H new ATOM 0 HG21 THR A 590 -13.450 3.337 -8.947 1.00 0.00 H new ATOM 0 HG22 THR A 590 -13.381 1.599 -9.325 1.00 0.00 H new ATOM 0 HG23 THR A 590 -14.055 2.146 -7.772 1.00 0.00 H new ATOM 474 N GLY A 591 -9.434 1.226 -6.426 1.00 0.00 N ATOM 475 CA GLY A 591 -7.998 1.023 -6.360 1.00 0.00 C ATOM 476 C GLY A 591 -7.441 1.216 -4.962 1.00 0.00 C ATOM 477 O GLY A 591 -8.152 1.657 -4.058 1.00 0.00 O ATOM 0 H GLY A 591 -9.805 1.891 -5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.762 0.016 -6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.506 1.717 -7.041 1.00 0.00 H new ATOM 481 N TYR A 592 -6.166 0.883 -4.787 1.00 0.00 N ATOM 482 CA TYR A 592 -5.506 1.016 -3.494 1.00 0.00 C ATOM 483 C TYR A 592 -4.336 1.992 -3.581 1.00 0.00 C ATOM 484 O TYR A 592 -3.524 1.920 -4.503 1.00 0.00 O ATOM 485 CB TYR A 592 -5.012 -0.349 -3.009 1.00 0.00 C ATOM 486 CG TYR A 592 -6.127 -1.335 -2.742 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.781 -1.972 -3.790 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.526 -1.628 -1.445 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.802 -2.872 -3.551 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.546 -2.527 -1.198 1.00 0.00 C ATOM 491 CZ TYR A 592 -8.180 -3.146 -2.254 1.00 0.00 C ATOM 492 OH TYR A 592 -9.198 -4.040 -2.014 1.00 0.00 O ATOM 0 H TYR A 592 -5.568 0.518 -5.528 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.231 1.407 -2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.338 -0.769 -3.756 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.432 -0.213 -2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.487 -1.760 -4.807 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -6.031 -1.145 -0.615 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -8.301 -3.358 -4.376 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -7.845 -2.743 -0.183 1.00 0.00 H new ATOM 0 HH TYR A 592 -9.219 -4.711 -2.728 1.00 0.00 H new ATOM 502 N ASP A 593 -4.258 2.902 -2.616 1.00 0.00 N ATOM 503 CA ASP A 593 -3.190 3.894 -2.583 1.00 0.00 C ATOM 504 C ASP A 593 -2.243 3.637 -1.415 1.00 0.00 C ATOM 505 O ASP A 593 -2.659 3.637 -0.257 1.00 0.00 O ATOM 506 CB ASP A 593 -3.778 5.301 -2.476 1.00 0.00 C ATOM 507 CG ASP A 593 -4.033 5.926 -3.834 1.00 0.00 C ATOM 508 OD1 ASP A 593 -4.882 5.395 -4.581 1.00 0.00 O ATOM 509 OD2 ASP A 593 -3.384 6.945 -4.151 1.00 0.00 O ATOM 0 H ASP A 593 -4.923 2.973 -1.846 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.624 3.812 -3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -4.713 5.260 -1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.096 5.935 -1.910 1.00 0.00 H new ATOM 514 N VAL A 594 -0.969 3.416 -1.726 1.00 0.00 N ATOM 515 CA VAL A 594 0.030 3.156 -0.700 1.00 0.00 C ATOM 516 C VAL A 594 0.829 4.421 -0.387 1.00 0.00 C ATOM 517 O VAL A 594 1.192 5.179 -1.287 1.00 0.00 O ATOM 518 CB VAL A 594 0.978 2.007 -1.120 1.00 0.00 C ATOM 519 CG1 VAL A 594 0.794 1.666 -2.589 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.435 2.342 -0.823 1.00 0.00 C ATOM 0 H VAL A 594 -0.607 3.412 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.496 2.847 0.204 1.00 0.00 H new ATOM 0 HB VAL A 594 0.714 1.132 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.470 0.856 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 594 -0.236 1.354 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.015 2.544 -3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 594 3.070 1.511 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.721 3.240 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.558 2.515 0.246 1.00 0.00 H new ATOM 530 N TYR A 595 1.084 4.643 0.898 1.00 0.00 N ATOM 531 CA TYR A 595 1.822 5.817 1.346 1.00 0.00 C ATOM 532 C TYR A 595 3.283 5.484 1.636 1.00 0.00 C ATOM 533 O TYR A 595 3.623 4.343 1.949 1.00 0.00 O ATOM 534 CB TYR A 595 1.169 6.394 2.602 1.00 0.00 C ATOM 535 CG TYR A 595 -0.248 6.880 2.389 1.00 0.00 C ATOM 536 CD1 TYR A 595 -1.331 6.014 2.505 1.00 0.00 C ATOM 537 CD2 TYR A 595 -0.503 8.210 2.075 1.00 0.00 C ATOM 538 CE1 TYR A 595 -2.627 6.461 2.314 1.00 0.00 C ATOM 539 CE2 TYR A 595 -1.794 8.663 1.883 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.851 7.786 2.004 1.00 0.00 C ATOM 541 OH TYR A 595 -4.138 8.237 1.812 1.00 0.00 O ATOM 0 H TYR A 595 0.788 4.021 1.651 1.00 0.00 H new ATOM 0 HA TYR A 595 1.795 6.554 0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 595 1.168 5.632 3.382 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.776 7.223 2.967 1.00 0.00 H new ATOM 0 HD1 TYR A 595 -1.158 4.976 2.748 1.00 0.00 H new ATOM 0 HD2 TYR A 595 0.322 8.901 1.980 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -3.457 5.777 2.407 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -1.974 9.700 1.639 1.00 0.00 H new ATOM 0 HH TYR A 595 -4.121 9.194 1.602 1.00 0.00 H new ATOM 551 N ASN A 596 4.138 6.499 1.541 1.00 0.00 N ATOM 552 CA ASN A 596 5.563 6.336 1.802 1.00 0.00 C ATOM 553 C ASN A 596 6.039 7.381 2.808 1.00 0.00 C ATOM 554 O ASN A 596 6.542 8.440 2.431 1.00 0.00 O ATOM 555 CB ASN A 596 6.359 6.456 0.499 1.00 0.00 C ATOM 556 CG ASN A 596 7.854 6.559 0.735 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.424 5.806 1.525 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.497 7.496 0.046 1.00 0.00 N ATOM 0 H ASN A 596 3.865 7.448 1.284 1.00 0.00 H new ATOM 0 HA ASN A 596 5.729 5.344 2.223 1.00 0.00 H new ATOM 0 HB2 ASN A 596 6.153 5.589 -0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.020 7.335 -0.050 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.504 7.613 0.161 1.00 0.00 H new ATOM 0 HD22 ASN A 596 7.984 8.098 -0.598 1.00 0.00 H new ATOM 565 N GLY A 597 5.868 7.077 4.090 1.00 0.00 N ATOM 566 CA GLY A 597 6.274 8.000 5.133 1.00 0.00 C ATOM 567 C GLY A 597 5.120 8.843 5.641 1.00 0.00 C ATOM 568 O GLY A 597 4.653 8.654 6.764 1.00 0.00 O ATOM 0 H GLY A 597 5.455 6.207 4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.704 7.439 5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 597 7.057 8.654 4.751 1.00 0.00 H new ATOM 572 N THR A 598 4.661 9.775 4.809 1.00 0.00 N ATOM 573 CA THR A 598 3.555 10.653 5.175 1.00 0.00 C ATOM 574 C THR A 598 2.860 11.217 3.939 1.00 0.00 C ATOM 575 O THR A 598 1.954 12.042 4.048 1.00 0.00 O ATOM 576 CB THR A 598 4.031 11.823 6.055 1.00 0.00 C ATOM 577 OG1 THR A 598 5.379 12.174 5.718 1.00 0.00 O ATOM 578 CG2 THR A 598 3.949 11.462 7.530 1.00 0.00 C ATOM 0 H THR A 598 5.039 9.941 3.876 1.00 0.00 H new ATOM 0 HA THR A 598 2.849 10.044 5.739 1.00 0.00 H new ATOM 0 HB THR A 598 3.377 12.675 5.870 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.673 12.920 6.281 1.00 0.00 H new ATOM 0 HG21 THR A 598 4.291 12.305 8.130 1.00 0.00 H new ATOM 0 HG22 THR A 598 2.917 11.226 7.790 1.00 0.00 H new ATOM 0 HG23 THR A 598 4.580 10.596 7.728 1.00 0.00 H new ATOM 586 N ALA A 599 3.293 10.766 2.765 1.00 0.00 N ATOM 587 CA ALA A 599 2.713 11.227 1.507 1.00 0.00 C ATOM 588 C ALA A 599 2.297 10.051 0.631 1.00 0.00 C ATOM 589 O ALA A 599 2.596 8.898 0.941 1.00 0.00 O ATOM 590 CB ALA A 599 3.700 12.114 0.766 1.00 0.00 C ATOM 0 H ALA A 599 4.043 10.083 2.658 1.00 0.00 H new ATOM 0 HA ALA A 599 1.820 11.808 1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 599 3.255 12.451 -0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 599 3.946 12.979 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 599 4.608 11.550 0.554 1.00 0.00 H new ATOM 596 N LEU A 600 1.609 10.349 -0.467 1.00 0.00 N ATOM 597 CA LEU A 600 1.157 9.314 -1.390 1.00 0.00 C ATOM 598 C LEU A 600 2.292 8.874 -2.308 1.00 0.00 C ATOM 599 O LEU A 600 2.844 9.679 -3.057 1.00 0.00 O ATOM 600 CB LEU A 600 -0.023 9.821 -2.223 1.00 0.00 C ATOM 601 CG LEU A 600 -0.975 8.737 -2.738 1.00 0.00 C ATOM 602 CD1 LEU A 600 -0.416 8.088 -3.993 1.00 0.00 C ATOM 603 CD2 LEU A 600 -1.241 7.687 -1.667 1.00 0.00 C ATOM 0 H LEU A 600 1.353 11.298 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 600 0.833 8.454 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.595 10.527 -1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.368 10.374 -3.077 1.00 0.00 H new ATOM 0 HG LEU A 600 -1.924 9.213 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -1.106 7.321 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -0.289 8.844 -4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 600 0.549 7.633 -3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -1.920 6.930 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -0.301 7.217 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 600 -1.692 8.162 -0.796 1.00 0.00 H new ATOM 615 N ALA A 601 2.637 7.590 -2.244 1.00 0.00 N ATOM 616 CA ALA A 601 3.707 7.048 -3.070 1.00 0.00 C ATOM 617 C ALA A 601 3.163 6.527 -4.398 1.00 0.00 C ATOM 618 O ALA A 601 2.820 7.312 -5.283 1.00 0.00 O ATOM 619 CB ALA A 601 4.447 5.949 -2.318 1.00 0.00 C ATOM 0 H ALA A 601 2.191 6.909 -1.630 1.00 0.00 H new ATOM 0 HA ALA A 601 4.410 7.850 -3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.244 5.552 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 601 4.875 6.359 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 601 3.751 5.149 -2.066 1.00 0.00 H new ATOM 625 N THR A 602 3.083 5.206 -4.535 1.00 0.00 N ATOM 626 CA THR A 602 2.578 4.601 -5.761 1.00 0.00 C ATOM 627 C THR A 602 1.069 4.385 -5.690 1.00 0.00 C ATOM 628 O THR A 602 0.474 4.396 -4.608 1.00 0.00 O ATOM 629 CB THR A 602 3.273 3.260 -6.066 1.00 0.00 C ATOM 630 OG1 THR A 602 2.914 2.811 -7.379 1.00 0.00 O ATOM 631 CG2 THR A 602 2.893 2.199 -5.045 1.00 0.00 C ATOM 0 H THR A 602 3.360 4.538 -3.815 1.00 0.00 H new ATOM 0 HA THR A 602 2.802 5.299 -6.568 1.00 0.00 H new ATOM 0 HB THR A 602 4.350 3.419 -6.013 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.628 2.244 -7.738 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.399 1.264 -5.286 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.193 2.528 -4.050 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.814 2.044 -5.066 1.00 0.00 H new ATOM 639 N THR A 603 0.459 4.190 -6.853 1.00 0.00 N ATOM 640 CA THR A 603 -0.978 3.971 -6.941 1.00 0.00 C ATOM 641 C THR A 603 -1.286 2.711 -7.738 1.00 0.00 C ATOM 642 O THR A 603 -0.783 2.527 -8.846 1.00 0.00 O ATOM 643 CB THR A 603 -1.687 5.169 -7.597 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.054 6.391 -7.199 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.158 5.206 -7.212 1.00 0.00 C ATOM 0 H THR A 603 0.941 4.179 -7.752 1.00 0.00 H new ATOM 0 HA THR A 603 -1.349 3.855 -5.923 1.00 0.00 H new ATOM 0 HB THR A 603 -1.614 5.057 -8.679 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.510 7.148 -7.622 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.637 6.061 -7.688 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.644 4.288 -7.542 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.249 5.295 -6.129 1.00 0.00 H new ATOM 653 N VAL A 604 -2.107 1.840 -7.164 1.00 0.00 N ATOM 654 CA VAL A 604 -2.471 0.592 -7.820 1.00 0.00 C ATOM 655 C VAL A 604 -3.971 0.332 -7.727 1.00 0.00 C ATOM 656 O VAL A 604 -4.725 1.157 -7.212 1.00 0.00 O ATOM 657 CB VAL A 604 -1.713 -0.599 -7.202 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.232 -0.516 -7.537 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.926 -0.643 -5.696 1.00 0.00 C ATOM 0 H VAL A 604 -2.532 1.975 -6.247 1.00 0.00 H new ATOM 0 HA VAL A 604 -2.193 0.691 -8.869 1.00 0.00 H new ATOM 0 HB VAL A 604 -2.108 -1.521 -7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.289 -1.364 -7.093 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -0.102 -0.536 -8.619 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.180 0.411 -7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.384 -1.490 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.558 0.281 -5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.989 -0.751 -5.482 1.00 0.00 H new ATOM 669 N THR A 605 -4.395 -0.824 -8.232 1.00 0.00 N ATOM 670 CA THR A 605 -5.802 -1.202 -8.210 1.00 0.00 C ATOM 671 C THR A 605 -5.965 -2.688 -7.906 1.00 0.00 C ATOM 672 O THR A 605 -7.056 -3.146 -7.565 1.00 0.00 O ATOM 673 CB THR A 605 -6.491 -0.888 -9.550 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.822 -1.571 -10.618 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.491 0.609 -9.822 1.00 0.00 C ATOM 0 H THR A 605 -3.781 -1.516 -8.662 1.00 0.00 H new ATOM 0 HA THR A 605 -6.274 -0.616 -7.422 1.00 0.00 H new ATOM 0 HB THR A 605 -7.524 -1.231 -9.490 1.00 0.00 H new ATOM 0 HG1 THR A 605 -6.268 -1.367 -11.467 1.00 0.00 H new ATOM 0 HG21 THR A 605 -6.983 0.806 -10.774 1.00 0.00 H new ATOM 0 HG22 THR A 605 -7.026 1.124 -9.024 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.464 0.971 -9.863 1.00 0.00 H new ATOM 683 N GLY A 606 -4.872 -3.435 -8.030 1.00 0.00 N ATOM 684 CA GLY A 606 -4.912 -4.861 -7.767 1.00 0.00 C ATOM 685 C GLY A 606 -4.578 -5.198 -6.327 1.00 0.00 C ATOM 686 O GLY A 606 -5.252 -4.739 -5.403 1.00 0.00 O ATOM 0 H GLY A 606 -3.958 -3.077 -8.308 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.905 -5.243 -8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.209 -5.368 -8.427 1.00 0.00 H new ATOM 690 N THR A 607 -3.539 -6.003 -6.136 1.00 0.00 N ATOM 691 CA THR A 607 -3.116 -6.405 -4.800 1.00 0.00 C ATOM 692 C THR A 607 -1.628 -6.143 -4.587 1.00 0.00 C ATOM 693 O THR A 607 -1.103 -6.342 -3.492 1.00 0.00 O ATOM 694 CB THR A 607 -3.406 -7.897 -4.547 1.00 0.00 C ATOM 695 OG1 THR A 607 -3.039 -8.668 -5.698 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.878 -8.114 -4.234 1.00 0.00 C ATOM 0 H THR A 607 -2.973 -6.391 -6.891 1.00 0.00 H new ATOM 0 HA THR A 607 -3.689 -5.804 -4.094 1.00 0.00 H new ATOM 0 HB THR A 607 -2.816 -8.221 -3.690 1.00 0.00 H new ATOM 0 HG1 THR A 607 -3.224 -9.615 -5.530 1.00 0.00 H new ATOM 0 HG21 THR A 607 -5.060 -9.174 -4.059 1.00 0.00 H new ATOM 0 HG22 THR A 607 -5.148 -7.547 -3.343 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.483 -7.776 -5.076 1.00 0.00 H new ATOM 704 N THR A 608 -0.954 -5.694 -5.643 1.00 0.00 N ATOM 705 CA THR A 608 0.473 -5.402 -5.571 1.00 0.00 C ATOM 706 C THR A 608 0.739 -3.910 -5.749 1.00 0.00 C ATOM 707 O THR A 608 -0.157 -3.154 -6.128 1.00 0.00 O ATOM 708 CB THR A 608 1.259 -6.182 -6.642 1.00 0.00 C ATOM 709 OG1 THR A 608 0.378 -6.601 -7.691 1.00 0.00 O ATOM 710 CG2 THR A 608 1.944 -7.396 -6.034 1.00 0.00 C ATOM 0 H THR A 608 -1.374 -5.525 -6.557 1.00 0.00 H new ATOM 0 HA THR A 608 0.810 -5.713 -4.582 1.00 0.00 H new ATOM 0 HB THR A 608 2.022 -5.521 -7.052 1.00 0.00 H new ATOM 0 HG1 THR A 608 0.887 -7.094 -8.368 1.00 0.00 H new ATOM 0 HG21 THR A 608 2.493 -7.931 -6.809 1.00 0.00 H new ATOM 0 HG22 THR A 608 2.637 -7.072 -5.257 1.00 0.00 H new ATOM 0 HG23 THR A 608 1.194 -8.057 -5.599 1.00 0.00 H new ATOM 718 N ALA A 609 1.971 -3.494 -5.476 1.00 0.00 N ATOM 719 CA ALA A 609 2.358 -2.092 -5.606 1.00 0.00 C ATOM 720 C ALA A 609 3.857 -1.962 -5.861 1.00 0.00 C ATOM 721 O ALA A 609 4.674 -2.386 -5.043 1.00 0.00 O ATOM 722 CB ALA A 609 1.967 -1.317 -4.355 1.00 0.00 C ATOM 0 H ALA A 609 2.722 -4.109 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 609 1.829 -1.671 -6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.262 -0.274 -4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.888 -1.376 -4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.471 -1.746 -3.489 1.00 0.00 H new ATOM 728 N THR A 610 4.211 -1.377 -7.002 1.00 0.00 N ATOM 729 CA THR A 610 5.611 -1.197 -7.366 1.00 0.00 C ATOM 730 C THR A 610 6.034 0.263 -7.246 1.00 0.00 C ATOM 731 O THR A 610 5.479 1.138 -7.912 1.00 0.00 O ATOM 732 CB THR A 610 5.885 -1.678 -8.804 1.00 0.00 C ATOM 733 OG1 THR A 610 5.413 -3.021 -8.972 1.00 0.00 O ATOM 734 CG2 THR A 610 7.371 -1.615 -9.125 1.00 0.00 C ATOM 0 H THR A 610 3.547 -1.020 -7.689 1.00 0.00 H new ATOM 0 HA THR A 610 6.194 -1.799 -6.669 1.00 0.00 H new ATOM 0 HB THR A 610 5.353 -1.018 -9.489 1.00 0.00 H new ATOM 0 HG1 THR A 610 5.590 -3.318 -9.889 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.538 -1.960 -10.146 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.721 -0.587 -9.027 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.920 -2.253 -8.432 1.00 0.00 H new ATOM 742 N ILE A 611 7.026 0.517 -6.399 1.00 0.00 N ATOM 743 CA ILE A 611 7.534 1.868 -6.197 1.00 0.00 C ATOM 744 C ILE A 611 8.928 2.016 -6.796 1.00 0.00 C ATOM 745 O ILE A 611 9.809 1.189 -6.556 1.00 0.00 O ATOM 746 CB ILE A 611 7.583 2.235 -4.700 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.198 2.085 -4.070 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.102 3.656 -4.520 1.00 0.00 C ATOM 749 CD1 ILE A 611 6.070 0.874 -3.172 1.00 0.00 C ATOM 0 H ILE A 611 7.494 -0.197 -5.841 1.00 0.00 H new ATOM 0 HA ILE A 611 6.848 2.548 -6.702 1.00 0.00 H new ATOM 0 HB ILE A 611 8.266 1.552 -4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 611 5.972 2.981 -3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.452 2.020 -4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.131 3.901 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.106 3.732 -4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.441 4.353 -5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 611 5.062 0.831 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.264 -0.030 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.792 0.947 -2.358 1.00 0.00 H new ATOM 761 N SER A 612 9.121 3.075 -7.577 1.00 0.00 N ATOM 762 CA SER A 612 10.407 3.333 -8.212 1.00 0.00 C ATOM 763 C SER A 612 11.062 4.576 -7.621 1.00 0.00 C ATOM 764 O SER A 612 10.450 5.297 -6.834 1.00 0.00 O ATOM 765 CB SER A 612 10.231 3.504 -9.723 1.00 0.00 C ATOM 766 OG SER A 612 9.394 4.610 -10.017 1.00 0.00 O ATOM 0 H SER A 612 8.402 3.768 -7.785 1.00 0.00 H new ATOM 0 HA SER A 612 11.055 2.477 -8.025 1.00 0.00 H new ATOM 0 HB2 SER A 612 11.205 3.646 -10.192 1.00 0.00 H new ATOM 0 HB3 SER A 612 9.802 2.596 -10.147 1.00 0.00 H new ATOM 0 HG SER A 612 9.299 4.699 -10.988 1.00 0.00 H new ATOM 772 N GLY A 613 12.311 4.818 -8.006 1.00 0.00 N ATOM 773 CA GLY A 613 13.032 5.974 -7.504 1.00 0.00 C ATOM 774 C GLY A 613 13.228 5.927 -6.001 1.00 0.00 C ATOM 775 O GLY A 613 12.486 6.563 -5.252 1.00 0.00 O ATOM 0 H GLY A 613 12.837 4.234 -8.657 1.00 0.00 H new ATOM 0 HA2 GLY A 613 14.005 6.032 -7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.488 6.881 -7.768 1.00 0.00 H new ATOM 779 N LEU A 614 14.227 5.169 -5.561 1.00 0.00 N ATOM 780 CA LEU A 614 14.520 5.039 -4.138 1.00 0.00 C ATOM 781 C LEU A 614 16.021 5.089 -3.884 1.00 0.00 C ATOM 782 O LEU A 614 16.816 5.215 -4.817 1.00 0.00 O ATOM 783 CB LEU A 614 13.944 3.729 -3.596 1.00 0.00 C ATOM 784 CG LEU A 614 12.420 3.653 -3.568 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.951 2.236 -3.859 1.00 0.00 C ATOM 786 CD2 LEU A 614 11.902 4.125 -2.222 1.00 0.00 C ATOM 0 H LEU A 614 14.848 4.635 -6.170 1.00 0.00 H new ATOM 0 HA LEU A 614 14.054 5.877 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 614 14.322 2.906 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.318 3.577 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 614 12.021 4.307 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.862 2.201 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 614 12.302 1.932 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 614 12.353 1.558 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.814 4.068 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 614 12.307 3.491 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 614 12.213 5.156 -2.054 1.00 0.00 H new ATOM 798 N ALA A 615 16.404 4.988 -2.614 1.00 0.00 N ATOM 799 CA ALA A 615 17.810 5.019 -2.232 1.00 0.00 C ATOM 800 C ALA A 615 18.179 3.786 -1.415 1.00 0.00 C ATOM 801 O ALA A 615 17.321 3.172 -0.780 1.00 0.00 O ATOM 802 CB ALA A 615 18.117 6.287 -1.448 1.00 0.00 C ATOM 0 H ALA A 615 15.758 4.884 -1.832 1.00 0.00 H new ATOM 0 HA ALA A 615 18.411 5.016 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.171 6.296 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 615 17.897 7.158 -2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.503 6.316 -0.548 1.00 0.00 H new ATOM 808 N ALA A 616 19.459 3.426 -1.437 1.00 0.00 N ATOM 809 CA ALA A 616 19.941 2.264 -0.698 1.00 0.00 C ATOM 810 C ALA A 616 20.378 2.646 0.712 1.00 0.00 C ATOM 811 O ALA A 616 20.623 3.818 1.000 1.00 0.00 O ATOM 812 CB ALA A 616 21.091 1.605 -1.447 1.00 0.00 C ATOM 0 H ALA A 616 20.181 3.923 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 616 19.118 1.554 -0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.442 0.739 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.748 1.285 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.907 2.319 -1.561 1.00 0.00 H new ATOM 818 N ASP A 617 20.476 1.645 1.585 1.00 0.00 N ATOM 819 CA ASP A 617 20.888 1.866 2.969 1.00 0.00 C ATOM 820 C ASP A 617 19.990 2.895 3.651 1.00 0.00 C ATOM 821 O ASP A 617 20.470 3.778 4.363 1.00 0.00 O ATOM 822 CB ASP A 617 22.347 2.326 3.020 1.00 0.00 C ATOM 823 CG ASP A 617 22.984 2.083 4.374 1.00 0.00 C ATOM 824 OD1 ASP A 617 23.401 0.935 4.636 1.00 0.00 O ATOM 825 OD2 ASP A 617 23.065 3.039 5.172 1.00 0.00 O ATOM 0 H ASP A 617 20.275 0.671 1.357 1.00 0.00 H new ATOM 0 HA ASP A 617 20.793 0.922 3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.917 1.801 2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.398 3.389 2.783 1.00 0.00 H new ATOM 830 N THR A 618 18.684 2.777 3.429 1.00 0.00 N ATOM 831 CA THR A 618 17.722 3.699 4.022 1.00 0.00 C ATOM 832 C THR A 618 16.465 2.969 4.482 1.00 0.00 C ATOM 833 O THR A 618 15.963 2.081 3.791 1.00 0.00 O ATOM 834 CB THR A 618 17.324 4.808 3.030 1.00 0.00 C ATOM 835 OG1 THR A 618 17.547 4.366 1.685 1.00 0.00 O ATOM 836 CG2 THR A 618 18.122 6.077 3.289 1.00 0.00 C ATOM 0 H THR A 618 18.268 2.053 2.843 1.00 0.00 H new ATOM 0 HA THR A 618 18.210 4.150 4.886 1.00 0.00 H new ATOM 0 HB THR A 618 16.265 5.027 3.170 1.00 0.00 H new ATOM 0 HG1 THR A 618 16.826 4.695 1.109 1.00 0.00 H new ATOM 0 HG21 THR A 618 17.824 6.846 2.576 1.00 0.00 H new ATOM 0 HG22 THR A 618 17.929 6.427 4.303 1.00 0.00 H new ATOM 0 HG23 THR A 618 19.186 5.868 3.173 1.00 0.00 H new ATOM 844 N SER A 619 15.957 3.354 5.649 1.00 0.00 N ATOM 845 CA SER A 619 14.754 2.742 6.200 1.00 0.00 C ATOM 846 C SER A 619 13.503 3.427 5.657 1.00 0.00 C ATOM 847 O SER A 619 13.405 4.654 5.663 1.00 0.00 O ATOM 848 CB SER A 619 14.769 2.824 7.728 1.00 0.00 C ATOM 849 OG SER A 619 13.455 2.925 8.248 1.00 0.00 O ATOM 0 H SER A 619 16.361 4.088 6.231 1.00 0.00 H new ATOM 0 HA SER A 619 14.737 1.694 5.899 1.00 0.00 H new ATOM 0 HB2 SER A 619 15.258 1.940 8.138 1.00 0.00 H new ATOM 0 HB3 SER A 619 15.355 3.687 8.043 1.00 0.00 H new ATOM 0 HG SER A 619 13.493 2.974 9.226 1.00 0.00 H new ATOM 855 N TYR A 620 12.551 2.626 5.186 1.00 0.00 N ATOM 856 CA TYR A 620 11.310 3.160 4.637 1.00 0.00 C ATOM 857 C TYR A 620 10.093 2.484 5.260 1.00 0.00 C ATOM 858 O TYR A 620 10.066 1.266 5.433 1.00 0.00 O ATOM 859 CB TYR A 620 11.280 2.976 3.118 1.00 0.00 C ATOM 860 CG TYR A 620 12.405 3.681 2.389 1.00 0.00 C ATOM 861 CD1 TYR A 620 12.715 5.008 2.660 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.154 3.017 1.425 1.00 0.00 C ATOM 863 CE1 TYR A 620 13.739 5.653 1.994 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.180 3.655 0.755 1.00 0.00 C ATOM 865 CZ TYR A 620 14.469 4.972 1.042 1.00 0.00 C ATOM 866 OH TYR A 620 15.490 5.611 0.375 1.00 0.00 O ATOM 0 H TYR A 620 12.615 1.608 5.174 1.00 0.00 H new ATOM 0 HA TYR A 620 11.272 4.223 4.874 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.325 1.911 2.891 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.327 3.344 2.737 1.00 0.00 H new ATOM 0 HD1 TYR A 620 12.145 5.545 3.404 1.00 0.00 H new ATOM 0 HD2 TYR A 620 12.930 1.986 1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 620 13.967 6.685 2.217 1.00 0.00 H new ATOM 0 HE2 TYR A 620 14.753 3.124 0.009 1.00 0.00 H new ATOM 0 HH TYR A 620 15.721 6.438 0.847 1.00 0.00 H new ATOM 876 N THR A 621 9.083 3.286 5.584 1.00 0.00 N ATOM 877 CA THR A 621 7.852 2.773 6.174 1.00 0.00 C ATOM 878 C THR A 621 6.696 2.905 5.189 1.00 0.00 C ATOM 879 O THR A 621 6.363 4.010 4.758 1.00 0.00 O ATOM 880 CB THR A 621 7.495 3.519 7.474 1.00 0.00 C ATOM 881 OG1 THR A 621 7.957 4.874 7.406 1.00 0.00 O ATOM 882 CG2 THR A 621 8.109 2.828 8.681 1.00 0.00 C ATOM 0 H THR A 621 9.094 4.297 5.447 1.00 0.00 H new ATOM 0 HA THR A 621 8.018 1.722 6.410 1.00 0.00 H new ATOM 0 HB THR A 621 6.411 3.511 7.584 1.00 0.00 H new ATOM 0 HG1 THR A 621 7.724 5.341 8.236 1.00 0.00 H new ATOM 0 HG21 THR A 621 7.843 3.373 9.587 1.00 0.00 H new ATOM 0 HG22 THR A 621 7.731 1.808 8.747 1.00 0.00 H new ATOM 0 HG23 THR A 621 9.194 2.807 8.576 1.00 0.00 H new ATOM 890 N PHE A 622 6.096 1.778 4.822 1.00 0.00 N ATOM 891 CA PHE A 622 4.988 1.783 3.871 1.00 0.00 C ATOM 892 C PHE A 622 3.679 1.351 4.521 1.00 0.00 C ATOM 893 O PHE A 622 3.669 0.698 5.565 1.00 0.00 O ATOM 894 CB PHE A 622 5.298 0.865 2.689 1.00 0.00 C ATOM 895 CG PHE A 622 6.378 1.387 1.788 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.130 2.444 0.928 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.643 0.822 1.803 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.124 2.927 0.098 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.641 1.300 0.975 1.00 0.00 C ATOM 900 CZ PHE A 622 8.377 2.354 0.117 1.00 0.00 C ATOM 0 H PHE A 622 6.356 0.853 5.166 1.00 0.00 H new ATOM 0 HA PHE A 622 4.869 2.808 3.519 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.594 -0.113 3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.389 0.719 2.105 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.149 2.896 0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.852 -0.002 2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 622 6.919 3.754 -0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.624 0.853 0.997 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.152 2.727 -0.536 1.00 0.00 H new ATOM 910 N THR A 623 2.578 1.717 3.874 1.00 0.00 N ATOM 911 CA THR A 623 1.242 1.377 4.346 1.00 0.00 C ATOM 912 C THR A 623 0.252 1.451 3.190 1.00 0.00 C ATOM 913 O THR A 623 0.312 2.370 2.376 1.00 0.00 O ATOM 914 CB THR A 623 0.777 2.322 5.471 1.00 0.00 C ATOM 915 OG1 THR A 623 1.365 3.617 5.298 1.00 0.00 O ATOM 916 CG2 THR A 623 1.156 1.768 6.836 1.00 0.00 C ATOM 0 H THR A 623 2.587 2.257 3.009 1.00 0.00 H new ATOM 0 HA THR A 623 1.281 0.363 4.745 1.00 0.00 H new ATOM 0 HB THR A 623 -0.309 2.405 5.418 1.00 0.00 H new ATOM 0 HG1 THR A 623 1.063 4.212 6.016 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.817 2.453 7.613 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.684 0.796 6.978 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.239 1.658 6.896 1.00 0.00 H new ATOM 924 N VAL A 624 -0.649 0.480 3.110 1.00 0.00 N ATOM 925 CA VAL A 624 -1.629 0.459 2.030 1.00 0.00 C ATOM 926 C VAL A 624 -2.978 0.995 2.488 1.00 0.00 C ATOM 927 O VAL A 624 -3.350 0.864 3.654 1.00 0.00 O ATOM 928 CB VAL A 624 -1.817 -0.955 1.444 1.00 0.00 C ATOM 929 CG1 VAL A 624 -1.200 -1.038 0.058 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.220 -2.011 2.363 1.00 0.00 C ATOM 0 H VAL A 624 -0.722 -0.294 3.770 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.232 1.108 1.250 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.886 -1.151 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.340 -2.042 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.682 -0.314 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 624 -0.134 -0.818 0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.367 -2.999 1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.153 -1.824 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -1.712 -1.968 3.335 1.00 0.00 H new ATOM 940 N LYS A 625 -3.700 1.607 1.556 1.00 0.00 N ATOM 941 CA LYS A 625 -5.007 2.178 1.849 1.00 0.00 C ATOM 942 C LYS A 625 -6.006 1.855 0.743 1.00 0.00 C ATOM 943 O LYS A 625 -5.626 1.649 -0.409 1.00 0.00 O ATOM 944 CB LYS A 625 -4.880 3.686 2.021 1.00 0.00 C ATOM 945 CG LYS A 625 -4.743 4.106 3.471 1.00 0.00 C ATOM 946 CD LYS A 625 -5.915 4.950 3.907 1.00 0.00 C ATOM 947 CE LYS A 625 -5.744 5.434 5.334 1.00 0.00 C ATOM 948 NZ LYS A 625 -4.609 6.389 5.466 1.00 0.00 N ATOM 0 H LYS A 625 -3.400 1.720 0.588 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.378 1.739 2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.013 4.038 1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -5.756 4.171 1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.673 3.221 4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -3.818 4.667 3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.018 5.806 3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -6.834 4.370 3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -6.664 5.916 5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -5.577 4.579 5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -4.609 6.799 6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -3.712 5.887 5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -4.711 7.149 4.764 1.00 0.00 H new ATOM 962 N ALA A 626 -7.287 1.808 1.102 1.00 0.00 N ATOM 963 CA ALA A 626 -8.339 1.505 0.139 1.00 0.00 C ATOM 964 C ALA A 626 -9.233 2.718 -0.103 1.00 0.00 C ATOM 965 O ALA A 626 -9.603 3.425 0.834 1.00 0.00 O ATOM 966 CB ALA A 626 -9.170 0.325 0.621 1.00 0.00 C ATOM 0 H ALA A 626 -7.620 1.976 2.052 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.865 1.243 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.952 0.109 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.529 -0.549 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.625 0.569 1.581 1.00 0.00 H new ATOM 972 N LYS A 627 -9.576 2.949 -1.367 1.00 0.00 N ATOM 973 CA LYS A 627 -10.428 4.075 -1.734 1.00 0.00 C ATOM 974 C LYS A 627 -11.543 3.627 -2.675 1.00 0.00 C ATOM 975 O LYS A 627 -11.323 2.809 -3.569 1.00 0.00 O ATOM 976 CB LYS A 627 -9.599 5.180 -2.397 1.00 0.00 C ATOM 977 CG LYS A 627 -8.423 4.659 -3.209 1.00 0.00 C ATOM 978 CD LYS A 627 -8.686 4.759 -4.703 1.00 0.00 C ATOM 979 CE LYS A 627 -7.982 5.962 -5.312 1.00 0.00 C ATOM 980 NZ LYS A 627 -8.502 6.282 -6.670 1.00 0.00 N ATOM 0 H LYS A 627 -9.277 2.372 -2.153 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.879 4.468 -0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.247 5.767 -3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -9.226 5.854 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.527 5.227 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -8.228 3.620 -2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -8.345 3.848 -5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -9.759 4.835 -4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -8.112 6.826 -4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -6.912 5.765 -5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -7.996 7.108 -7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -8.355 5.467 -7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -9.518 6.495 -6.611 1.00 0.00 H new ATOM 994 N ASP A 628 -12.739 4.168 -2.466 1.00 0.00 N ATOM 995 CA ASP A 628 -13.888 3.825 -3.295 1.00 0.00 C ATOM 996 C ASP A 628 -14.271 4.990 -4.203 1.00 0.00 C ATOM 997 O ASP A 628 -13.764 6.101 -4.049 1.00 0.00 O ATOM 998 CB ASP A 628 -15.080 3.438 -2.417 1.00 0.00 C ATOM 999 CG ASP A 628 -14.927 2.057 -1.810 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -13.777 1.655 -1.533 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -15.956 1.379 -1.613 1.00 0.00 O ATOM 0 H ASP A 628 -12.937 4.845 -1.730 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.612 2.975 -3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.193 4.172 -1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -15.992 3.471 -3.013 1.00 0.00 H new ATOM 1006 N ALA A 629 -15.170 4.728 -5.145 1.00 0.00 N ATOM 1007 CA ALA A 629 -15.624 5.755 -6.075 1.00 0.00 C ATOM 1008 C ALA A 629 -16.802 6.531 -5.499 1.00 0.00 C ATOM 1009 O ALA A 629 -17.455 7.301 -6.203 1.00 0.00 O ATOM 1010 CB ALA A 629 -16.003 5.130 -7.409 1.00 0.00 C ATOM 0 H ALA A 629 -15.599 3.813 -5.285 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.804 6.454 -6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -16.340 5.909 -8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -15.136 4.625 -7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.805 4.408 -7.258 1.00 0.00 H new ATOM 1016 N ALA A 630 -17.066 6.323 -4.212 1.00 0.00 N ATOM 1017 CA ALA A 630 -18.164 7.005 -3.538 1.00 0.00 C ATOM 1018 C ALA A 630 -17.641 8.106 -2.623 1.00 0.00 C ATOM 1019 O ALA A 630 -18.403 8.956 -2.162 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.999 6.007 -2.748 1.00 0.00 C ATOM 0 H ALA A 630 -16.535 5.688 -3.616 1.00 0.00 H new ATOM 0 HA ALA A 630 -18.796 7.468 -4.296 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.815 6.530 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -19.408 5.258 -3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.372 5.518 -2.002 1.00 0.00 H new ATOM 1026 N GLY A 631 -16.336 8.087 -2.368 1.00 0.00 N ATOM 1027 CA GLY A 631 -15.732 9.091 -1.512 1.00 0.00 C ATOM 1028 C GLY A 631 -15.524 8.597 -0.094 1.00 0.00 C ATOM 1029 O GLY A 631 -15.757 9.331 0.867 1.00 0.00 O ATOM 0 H GLY A 631 -15.686 7.394 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -14.773 9.393 -1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -16.365 9.978 -1.495 1.00 0.00 H new ATOM 1033 N ASN A 632 -15.080 7.351 0.038 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.837 6.759 1.348 1.00 0.00 C ATOM 1035 C ASN A 632 -13.515 5.998 1.361 1.00 0.00 C ATOM 1036 O ASN A 632 -13.247 5.184 0.478 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.985 5.822 1.730 1.00 0.00 C ATOM 1038 CG ASN A 632 -17.344 6.476 1.567 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -18.106 6.130 0.663 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -17.656 7.426 2.441 1.00 0.00 N ATOM 0 H ASN A 632 -14.881 6.731 -0.747 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.780 7.565 2.080 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.940 4.926 1.112 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.860 5.502 2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -18.557 7.900 2.379 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -16.995 7.681 3.174 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.692 6.272 2.368 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.396 5.618 2.498 1.00 0.00 C ATOM 1049 C VAL A 633 -11.260 4.943 3.860 1.00 0.00 C ATOM 1050 O VAL A 633 -11.532 5.550 4.895 1.00 0.00 O ATOM 1051 CB VAL A 633 -10.241 6.628 2.298 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -8.986 6.189 3.040 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -9.946 6.810 0.819 1.00 0.00 C ATOM 0 H VAL A 633 -12.901 6.944 3.107 1.00 0.00 H new ATOM 0 HA VAL A 633 -11.334 4.857 1.720 1.00 0.00 H new ATOM 0 HB VAL A 633 -10.558 7.584 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -8.194 6.920 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -9.201 6.115 4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -8.664 5.217 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -9.131 7.523 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -9.659 5.852 0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -10.836 7.185 0.314 1.00 0.00 H new ATOM 1063 N SER A 634 -10.835 3.682 3.850 1.00 0.00 N ATOM 1064 CA SER A 634 -10.659 2.924 5.082 1.00 0.00 C ATOM 1065 C SER A 634 -9.375 3.335 5.796 1.00 0.00 C ATOM 1066 O SER A 634 -8.598 4.138 5.280 1.00 0.00 O ATOM 1067 CB SER A 634 -10.630 1.425 4.781 1.00 0.00 C ATOM 1068 OG SER A 634 -11.638 0.739 5.505 1.00 0.00 O ATOM 0 H SER A 634 -10.606 3.165 3.001 1.00 0.00 H new ATOM 0 HA SER A 634 -11.503 3.141 5.737 1.00 0.00 H new ATOM 0 HB2 SER A 634 -10.771 1.263 3.712 1.00 0.00 H new ATOM 0 HB3 SER A 634 -9.652 1.018 5.039 1.00 0.00 H new ATOM 0 HG SER A 634 -11.280 0.450 6.370 1.00 0.00 H new ATOM 1074 N ALA A 635 -9.158 2.780 6.984 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.968 3.091 7.767 1.00 0.00 C ATOM 1076 C ALA A 635 -6.703 2.606 7.067 1.00 0.00 C ATOM 1077 O ALA A 635 -6.768 1.846 6.101 1.00 0.00 O ATOM 1078 CB ALA A 635 -8.075 2.476 9.155 1.00 0.00 C ATOM 0 H ALA A 635 -9.791 2.113 7.425 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.902 4.175 7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.180 2.716 9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -8.951 2.877 9.664 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.170 1.394 9.067 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.552 3.049 7.564 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.269 2.660 6.991 1.00 0.00 C ATOM 1086 C ALA A 636 -3.861 1.268 7.464 1.00 0.00 C ATOM 1087 O ALA A 636 -4.053 0.919 8.629 1.00 0.00 O ATOM 1088 CB ALA A 636 -3.200 3.678 7.361 1.00 0.00 C ATOM 0 H ALA A 636 -5.482 3.679 8.364 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.372 2.633 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.246 3.378 6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.481 4.658 6.975 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -3.106 3.729 8.446 1.00 0.00 H new ATOM 1094 N SER A 637 -3.296 0.480 6.555 1.00 0.00 N ATOM 1095 CA SER A 637 -2.858 -0.873 6.881 1.00 0.00 C ATOM 1096 C SER A 637 -1.678 -0.848 7.847 1.00 0.00 C ATOM 1097 O SER A 637 -1.220 0.220 8.252 1.00 0.00 O ATOM 1098 CB SER A 637 -2.469 -1.623 5.613 1.00 0.00 C ATOM 1099 OG SER A 637 -2.682 -3.017 5.757 1.00 0.00 O ATOM 0 H SER A 637 -3.131 0.755 5.587 1.00 0.00 H new ATOM 0 HA SER A 637 -3.689 -1.388 7.363 1.00 0.00 H new ATOM 0 HB2 SER A 637 -3.052 -1.248 4.772 1.00 0.00 H new ATOM 0 HB3 SER A 637 -1.420 -1.434 5.383 1.00 0.00 H new ATOM 0 HG SER A 637 -3.551 -3.173 6.183 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.188 -2.030 8.206 1.00 0.00 N ATOM 1106 CA ASN A 638 -0.058 -2.141 9.121 1.00 0.00 C ATOM 1107 C ASN A 638 1.204 -1.560 8.491 1.00 0.00 C ATOM 1108 O ASN A 638 1.337 -1.523 7.268 1.00 0.00 O ATOM 1109 CB ASN A 638 0.176 -3.603 9.504 1.00 0.00 C ATOM 1110 CG ASN A 638 0.552 -3.763 10.964 1.00 0.00 C ATOM 1111 OD1 ASN A 638 1.604 -4.314 11.290 1.00 0.00 O ATOM 1112 ND2 ASN A 638 -0.310 -3.281 11.852 1.00 0.00 N ATOM 0 H ASN A 638 -1.555 -2.923 7.878 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.292 -1.572 10.021 1.00 0.00 H new ATOM 0 HB2 ASN A 638 -0.726 -4.179 9.298 1.00 0.00 H new ATOM 0 HB3 ASN A 638 0.968 -4.017 8.880 1.00 0.00 H new ATOM 0 HD21 ASN A 638 -0.112 -3.360 12.850 1.00 0.00 H new ATOM 0 HD22 ASN A 638 -1.170 -2.832 11.536 1.00 0.00 H new ATOM 1119 N ALA A 639 2.125 -1.104 9.334 1.00 0.00 N ATOM 1120 CA ALA A 639 3.374 -0.521 8.858 1.00 0.00 C ATOM 1121 C ALA A 639 4.400 -1.601 8.530 1.00 0.00 C ATOM 1122 O ALA A 639 4.496 -2.613 9.225 1.00 0.00 O ATOM 1123 CB ALA A 639 3.934 0.443 9.892 1.00 0.00 C ATOM 0 H ALA A 639 2.030 -1.127 10.349 1.00 0.00 H new ATOM 0 HA ALA A 639 3.160 0.028 7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.866 0.871 9.523 1.00 0.00 H new ATOM 0 HB2 ALA A 639 3.215 1.242 10.072 1.00 0.00 H new ATOM 0 HB3 ALA A 639 4.123 -0.091 10.823 1.00 0.00 H new ATOM 1129 N VAL A 640 5.165 -1.374 7.467 1.00 0.00 N ATOM 1130 CA VAL A 640 6.187 -2.323 7.041 1.00 0.00 C ATOM 1131 C VAL A 640 7.526 -1.622 6.822 1.00 0.00 C ATOM 1132 O VAL A 640 7.663 -0.788 5.926 1.00 0.00 O ATOM 1133 CB VAL A 640 5.773 -3.047 5.743 1.00 0.00 C ATOM 1134 CG1 VAL A 640 4.736 -4.120 6.039 1.00 0.00 C ATOM 1135 CG2 VAL A 640 5.244 -2.052 4.722 1.00 0.00 C ATOM 0 H VAL A 640 5.096 -0.540 6.884 1.00 0.00 H new ATOM 0 HA VAL A 640 6.293 -3.060 7.837 1.00 0.00 H new ATOM 0 HB VAL A 640 6.654 -3.531 5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 640 4.455 -4.620 5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 640 5.155 -4.849 6.733 1.00 0.00 H new ATOM 0 HG13 VAL A 640 3.854 -3.660 6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 640 4.957 -2.581 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 640 4.375 -1.537 5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 640 6.020 -1.323 4.488 1.00 0.00 H new ATOM 1145 N SER A 641 8.509 -1.962 7.649 1.00 0.00 N ATOM 1146 CA SER A 641 9.836 -1.365 7.546 1.00 0.00 C ATOM 1147 C SER A 641 10.731 -2.188 6.626 1.00 0.00 C ATOM 1148 O SER A 641 10.930 -3.384 6.845 1.00 0.00 O ATOM 1149 CB SER A 641 10.476 -1.250 8.931 1.00 0.00 C ATOM 1150 OG SER A 641 10.917 0.073 9.180 1.00 0.00 O ATOM 0 H SER A 641 8.412 -2.648 8.398 1.00 0.00 H new ATOM 0 HA SER A 641 9.727 -0.367 7.121 1.00 0.00 H new ATOM 0 HB2 SER A 641 9.756 -1.546 9.694 1.00 0.00 H new ATOM 0 HB3 SER A 641 11.319 -1.937 9.004 1.00 0.00 H new ATOM 0 HG SER A 641 11.321 0.121 10.072 1.00 0.00 H new ATOM 1156 N VAL A 642 11.266 -1.542 5.596 1.00 0.00 N ATOM 1157 CA VAL A 642 12.138 -2.217 4.642 1.00 0.00 C ATOM 1158 C VAL A 642 13.475 -1.497 4.513 1.00 0.00 C ATOM 1159 O VAL A 642 13.528 -0.331 4.122 1.00 0.00 O ATOM 1160 CB VAL A 642 11.486 -2.315 3.248 1.00 0.00 C ATOM 1161 CG1 VAL A 642 11.137 -3.759 2.922 1.00 0.00 C ATOM 1162 CG2 VAL A 642 10.251 -1.427 3.162 1.00 0.00 C ATOM 0 H VAL A 642 11.111 -0.553 5.400 1.00 0.00 H new ATOM 0 HA VAL A 642 12.304 -3.223 5.028 1.00 0.00 H new ATOM 0 HB VAL A 642 12.206 -1.962 2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 642 10.678 -3.808 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 642 12.044 -4.363 2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.439 -4.141 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 642 9.809 -1.513 2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 642 9.524 -1.741 3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 642 10.535 -0.390 3.344 1.00 0.00 H new ATOM 1172 N LYS A 643 14.553 -2.203 4.838 1.00 0.00 N ATOM 1173 CA LYS A 643 15.893 -1.633 4.754 1.00 0.00 C ATOM 1174 C LYS A 643 16.517 -1.919 3.393 1.00 0.00 C ATOM 1175 O LYS A 643 17.000 -3.023 3.140 1.00 0.00 O ATOM 1176 CB LYS A 643 16.785 -2.194 5.864 1.00 0.00 C ATOM 1177 CG LYS A 643 16.814 -1.334 7.118 1.00 0.00 C ATOM 1178 CD LYS A 643 17.407 0.040 6.843 1.00 0.00 C ATOM 1179 CE LYS A 643 18.923 0.023 6.942 1.00 0.00 C ATOM 1180 NZ LYS A 643 19.506 1.380 6.751 1.00 0.00 N ATOM 0 H LYS A 643 14.525 -3.170 5.162 1.00 0.00 H new ATOM 0 HA LYS A 643 15.809 -0.554 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 643 16.438 -3.193 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 643 17.801 -2.300 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 643 15.802 -1.223 7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 643 17.398 -1.835 7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 643 17.110 0.373 5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 643 17.003 0.761 7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 643 19.219 -0.366 7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 643 19.328 -0.656 6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 20.527 1.297 6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 19.049 1.843 5.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 19.350 1.949 7.608 1.00 0.00 H new ATOM 1194 N THR A 644 16.501 -0.918 2.519 1.00 0.00 N ATOM 1195 CA THR A 644 17.062 -1.060 1.182 1.00 0.00 C ATOM 1196 C THR A 644 18.576 -0.874 1.199 1.00 0.00 C ATOM 1197 O THR A 644 19.174 -0.798 0.104 1.00 0.00 O ATOM 1198 CB THR A 644 16.444 -0.048 0.204 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.417 1.255 0.800 1.00 0.00 O ATOM 1200 CG2 THR A 644 15.031 -0.462 -0.183 1.00 0.00 C ATOM 1201 OXT THR A 644 19.151 -0.808 2.306 1.00 0.00 O ATOM 0 H THR A 644 16.105 0.001 2.714 1.00 0.00 H new ATOM 0 HA THR A 644 16.826 -2.070 0.846 1.00 0.00 H new ATOM 0 HB THR A 644 17.059 -0.024 -0.696 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.452 1.937 0.097 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.614 0.269 -0.876 1.00 0.00 H new ATOM 0 HG22 THR A 644 15.057 -1.441 -0.661 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.409 -0.511 0.711 1.00 0.00 H new TER 1209 THR A 644