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 595 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 625 LYS NZ :NH3+ 172:sc= 0.299 (180deg=0.268) USER MOD Set 2.1: A 583 SER OG : rot -110:sc= -0.0921 USER MOD Set 2.2: A 592 TYR OH : rot 30:sc= 0.0473 USER MOD Set 3.1: A 572 THR OG1 : rot -28:sc= 1.7 USER MOD Set 3.2: A 574 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 575 SER OG : rot 54:sc= 0.547 USER MOD Single : A 557 HIS : no HE2:sc= 0.434 K(o=0.43,f=-1.7!) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 561 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 564 THR OG1 : rot 180:sc= 0 USER MOD Single : A 565 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 568 SER OG : rot 180:sc= -0.0174 USER MOD Single : A 569 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 571 GLN : amide:sc= -0.101 X(o=-0.1,f=0.13) USER MOD Single : A 573 THR OG1 : rot 65:sc= 0.05 USER MOD Single : A 577 THR OG1 : rot 180:sc= 0 USER MOD Single : A 579 SER OG : rot 24:sc= 0.274! USER MOD Single : A 581 THR OG1 : rot 180:sc= 0 USER MOD Single : A 584 THR OG1 : rot 180:sc=-0.00255 USER MOD Single : A 586 ASN : amide:sc= -1.74 K(o=-1.7,f=-0.3) USER MOD Single : A 590 THR OG1 : rot 180:sc= -0.091 USER MOD Single : A 596 ASN : amide:sc= -2.7 K(o=-2.7,f=-8.4!) USER MOD Single : A 598 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 THR OG1 : rot 150:sc= -0.0137 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 95:sc= 0.065 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 TYR OH : rot 70:sc= 0.326 USER MOD Single : A 621 THR OG1 : rot 171:sc= -0.694 USER MOD Single : A 623 THR OG1 : rot 180:sc= -0.873 USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 632 ASN : amide:sc= -4.97! K(o=-5!,f=-1.1) USER MOD Single : A 634 SER OG : rot 82:sc= 0.812 USER MOD Single : A 637 SER OG : rot 101:sc= -1.29! 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 147:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 557 -20.811 1.141 5.393 1.00 0.00 N ATOM 2 CA HIS A 557 -21.702 1.658 4.322 1.00 0.00 C ATOM 3 C HIS A 557 -21.020 2.763 3.522 1.00 0.00 C ATOM 4 O HIS A 557 -21.255 2.909 2.322 1.00 0.00 O ATOM 5 CB HIS A 557 -22.981 2.192 4.970 1.00 0.00 C ATOM 6 CG HIS A 557 -24.175 2.143 4.065 1.00 0.00 C ATOM 7 ND1 HIS A 557 -24.113 2.446 2.721 1.00 0.00 N ATOM 8 CD2 HIS A 557 -25.467 1.822 4.318 1.00 0.00 C ATOM 9 CE1 HIS A 557 -25.314 2.314 2.186 1.00 0.00 C ATOM 10 NE2 HIS A 557 -26.152 1.936 3.134 1.00 0.00 N ATOM 0 HA HIS A 557 -21.937 0.849 3.631 1.00 0.00 H new ATOM 0 HB2 HIS A 557 -23.192 1.613 5.869 1.00 0.00 H new ATOM 0 HB3 HIS A 557 -22.816 3.222 5.286 1.00 0.00 H new ATOM 0 HD1 HIS A 557 -23.271 2.728 2.218 1.00 0.00 H new ATOM 0 HD2 HIS A 557 -25.880 1.531 5.272 1.00 0.00 H new ATOM 0 HE1 HIS A 557 -25.567 2.486 1.150 1.00 0.00 H new ATOM 21 N MET A 558 -20.174 3.538 4.194 1.00 0.00 N ATOM 22 CA MET A 558 -19.459 4.632 3.544 1.00 0.00 C ATOM 23 C MET A 558 -18.029 4.225 3.200 1.00 0.00 C ATOM 24 O MET A 558 -17.732 3.871 2.059 1.00 0.00 O ATOM 25 CB MET A 558 -19.449 5.867 4.445 1.00 0.00 C ATOM 26 CG MET A 558 -20.709 6.711 4.335 1.00 0.00 C ATOM 27 SD MET A 558 -20.906 7.454 2.704 1.00 0.00 S ATOM 28 CE MET A 558 -20.850 9.196 3.117 1.00 0.00 C ATOM 0 H MET A 558 -19.967 3.429 5.187 1.00 0.00 H new ATOM 0 HA MET A 558 -19.979 4.871 2.616 1.00 0.00 H new ATOM 0 HB2 MET A 558 -19.323 5.550 5.480 1.00 0.00 H new ATOM 0 HB3 MET A 558 -18.586 6.483 4.193 1.00 0.00 H new ATOM 0 HG2 MET A 558 -21.578 6.090 4.555 1.00 0.00 H new ATOM 0 HG3 MET A 558 -20.681 7.499 5.088 1.00 0.00 H new ATOM 0 HE1 MET A 558 -20.959 9.789 2.209 1.00 0.00 H new ATOM 0 HE2 MET A 558 -21.662 9.433 3.805 1.00 0.00 H new ATOM 0 HE3 MET A 558 -19.895 9.428 3.589 1.00 0.00 H new ATOM 38 N ALA A 559 -17.146 4.281 4.193 1.00 0.00 N ATOM 39 CA ALA A 559 -15.747 3.922 3.995 1.00 0.00 C ATOM 40 C ALA A 559 -15.576 2.409 3.878 1.00 0.00 C ATOM 41 O ALA A 559 -16.287 1.645 4.530 1.00 0.00 O ATOM 42 CB ALA A 559 -14.897 4.466 5.134 1.00 0.00 C ATOM 0 H ALA A 559 -17.376 4.572 5.143 1.00 0.00 H new ATOM 0 HA ALA A 559 -15.412 4.370 3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -13.855 4.191 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -14.985 5.552 5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -15.242 4.045 6.079 1.00 0.00 H new ATOM 48 N PRO A 560 -14.624 1.955 3.041 1.00 0.00 N ATOM 49 CA PRO A 560 -14.363 0.527 2.844 1.00 0.00 C ATOM 50 C PRO A 560 -13.650 -0.102 4.037 1.00 0.00 C ATOM 51 O PRO A 560 -13.851 0.312 5.180 1.00 0.00 O ATOM 52 CB PRO A 560 -13.466 0.503 1.608 1.00 0.00 C ATOM 53 CG PRO A 560 -12.750 1.807 1.645 1.00 0.00 C ATOM 54 CD PRO A 560 -13.726 2.797 2.223 1.00 0.00 C ATOM 0 HA PRO A 560 -15.283 -0.047 2.731 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.769 -0.334 1.639 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -14.051 0.397 0.694 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -11.851 1.742 2.258 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.434 2.108 0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.222 3.552 2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.272 3.326 1.442 1.00 0.00 H new ATOM 62 N THR A 561 -12.817 -1.102 3.766 1.00 0.00 N ATOM 63 CA THR A 561 -12.072 -1.784 4.818 1.00 0.00 C ATOM 64 C THR A 561 -10.569 -1.636 4.605 1.00 0.00 C ATOM 65 O THR A 561 -10.055 -1.915 3.522 1.00 0.00 O ATOM 66 CB THR A 561 -12.431 -3.284 4.893 1.00 0.00 C ATOM 67 OG1 THR A 561 -11.323 -4.079 4.454 1.00 0.00 O ATOM 68 CG2 THR A 561 -13.653 -3.599 4.040 1.00 0.00 C ATOM 0 H THR A 561 -12.641 -1.458 2.826 1.00 0.00 H new ATOM 0 HA THR A 561 -12.353 -1.313 5.760 1.00 0.00 H new ATOM 0 HB THR A 561 -12.662 -3.522 5.931 1.00 0.00 H new ATOM 0 HG1 THR A 561 -11.560 -5.028 4.506 1.00 0.00 H new ATOM 0 HG21 THR A 561 -13.883 -4.662 4.112 1.00 0.00 H new ATOM 0 HG22 THR A 561 -14.504 -3.019 4.396 1.00 0.00 H new ATOM 0 HG23 THR A 561 -13.448 -3.342 3.001 1.00 0.00 H new ATOM 76 N ALA A 562 -9.873 -1.192 5.645 1.00 0.00 N ATOM 77 CA ALA A 562 -8.429 -1.000 5.578 1.00 0.00 C ATOM 78 C ALA A 562 -7.706 -2.321 5.308 1.00 0.00 C ATOM 79 O ALA A 562 -7.935 -3.310 6.004 1.00 0.00 O ATOM 80 CB ALA A 562 -7.925 -0.385 6.874 1.00 0.00 C ATOM 0 H ALA A 562 -10.287 -0.958 6.547 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.216 -0.323 4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -6.846 -0.245 6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -8.408 0.580 7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.160 -1.048 7.707 1.00 0.00 H new ATOM 86 N PRO A 563 -6.816 -2.351 4.294 1.00 0.00 N ATOM 87 CA PRO A 563 -6.052 -3.556 3.944 1.00 0.00 C ATOM 88 C PRO A 563 -5.474 -4.247 5.176 1.00 0.00 C ATOM 89 O PRO A 563 -5.104 -3.590 6.149 1.00 0.00 O ATOM 90 CB PRO A 563 -4.930 -3.007 3.062 1.00 0.00 C ATOM 91 CG PRO A 563 -5.521 -1.803 2.414 1.00 0.00 C ATOM 92 CD PRO A 563 -6.478 -1.211 3.417 1.00 0.00 C ATOM 0 HA PRO A 563 -6.668 -4.312 3.457 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.051 -2.749 3.653 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.612 -3.741 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.746 -1.085 2.146 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -6.039 -2.072 1.493 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.018 -0.397 3.978 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.364 -0.802 2.932 1.00 0.00 H new ATOM 100 N THR A 564 -5.407 -5.573 5.134 1.00 0.00 N ATOM 101 CA THR A 564 -4.882 -6.343 6.255 1.00 0.00 C ATOM 102 C THR A 564 -3.791 -7.310 5.812 1.00 0.00 C ATOM 103 O THR A 564 -3.737 -7.712 4.650 1.00 0.00 O ATOM 104 CB THR A 564 -5.999 -7.140 6.955 1.00 0.00 C ATOM 105 OG1 THR A 564 -6.462 -8.190 6.098 1.00 0.00 O ATOM 106 CG2 THR A 564 -7.162 -6.231 7.324 1.00 0.00 C ATOM 0 H THR A 564 -5.709 -6.135 4.338 1.00 0.00 H new ATOM 0 HA THR A 564 -4.456 -5.623 6.954 1.00 0.00 H new ATOM 0 HB THR A 564 -5.590 -7.571 7.869 1.00 0.00 H new ATOM 0 HG1 THR A 564 -7.171 -8.693 6.551 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.939 -6.816 7.817 1.00 0.00 H new ATOM 0 HG22 THR A 564 -6.813 -5.449 7.999 1.00 0.00 H new ATOM 0 HG23 THR A 564 -7.569 -5.776 6.421 1.00 0.00 H new ATOM 114 N ASN A 565 -2.928 -7.684 6.753 1.00 0.00 N ATOM 115 CA ASN A 565 -1.836 -8.614 6.479 1.00 0.00 C ATOM 116 C ASN A 565 -0.963 -8.135 5.320 1.00 0.00 C ATOM 117 O ASN A 565 -0.833 -8.821 4.306 1.00 0.00 O ATOM 118 CB ASN A 565 -2.392 -10.006 6.174 1.00 0.00 C ATOM 119 CG ASN A 565 -1.637 -11.105 6.894 1.00 0.00 C ATOM 120 OD1 ASN A 565 -0.883 -11.861 6.282 1.00 0.00 O ATOM 121 ND2 ASN A 565 -1.835 -11.200 8.204 1.00 0.00 N ATOM 0 H ASN A 565 -2.965 -7.355 7.718 1.00 0.00 H new ATOM 0 HA ASN A 565 -1.211 -8.661 7.371 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -3.443 -10.044 6.460 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -2.348 -10.184 5.099 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -1.353 -11.920 8.742 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -2.469 -10.553 8.672 1.00 0.00 H new ATOM 128 N LEU A 566 -0.353 -6.963 5.479 1.00 0.00 N ATOM 129 CA LEU A 566 0.519 -6.414 4.445 1.00 0.00 C ATOM 130 C LEU A 566 1.889 -7.081 4.502 1.00 0.00 C ATOM 131 O LEU A 566 2.277 -7.630 5.533 1.00 0.00 O ATOM 132 CB LEU A 566 0.669 -4.898 4.607 1.00 0.00 C ATOM 133 CG LEU A 566 1.782 -4.268 3.767 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.341 -4.102 2.321 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.203 -2.934 4.353 1.00 0.00 C ATOM 0 H LEU A 566 -0.446 -6.378 6.309 1.00 0.00 H new ATOM 0 HA LEU A 566 0.064 -6.615 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -0.277 -4.424 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 566 0.857 -4.676 5.658 1.00 0.00 H new ATOM 0 HG LEU A 566 2.641 -4.938 3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.149 -3.652 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.095 -5.077 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.463 -3.457 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 566 2.995 -2.502 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.348 -2.258 4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 566 2.569 -3.082 5.369 1.00 0.00 H new ATOM 147 N ALA A 567 2.618 -7.027 3.394 1.00 0.00 N ATOM 148 CA ALA A 567 3.944 -7.626 3.332 1.00 0.00 C ATOM 149 C ALA A 567 4.756 -7.075 2.168 1.00 0.00 C ATOM 150 O ALA A 567 4.252 -6.302 1.353 1.00 0.00 O ATOM 151 CB ALA A 567 3.836 -9.140 3.233 1.00 0.00 C ATOM 0 H ALA A 567 2.315 -6.577 2.530 1.00 0.00 H new ATOM 0 HA ALA A 567 4.468 -7.366 4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 567 4.835 -9.574 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.313 -9.525 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.283 -9.407 2.333 1.00 0.00 H new ATOM 157 N SER A 568 6.016 -7.490 2.094 1.00 0.00 N ATOM 158 CA SER A 568 6.910 -7.058 1.028 1.00 0.00 C ATOM 159 C SER A 568 7.537 -8.267 0.342 1.00 0.00 C ATOM 160 O SER A 568 8.078 -9.154 1.004 1.00 0.00 O ATOM 161 CB SER A 568 8.003 -6.144 1.586 1.00 0.00 C ATOM 162 OG SER A 568 9.061 -6.897 2.153 1.00 0.00 O ATOM 0 H SER A 568 6.442 -8.129 2.765 1.00 0.00 H new ATOM 0 HA SER A 568 6.329 -6.499 0.294 1.00 0.00 H new ATOM 0 HB2 SER A 568 8.391 -5.509 0.790 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.578 -5.484 2.342 1.00 0.00 H new ATOM 0 HG SER A 568 9.746 -6.288 2.500 1.00 0.00 H new ATOM 168 N THR A 569 7.452 -8.305 -0.983 1.00 0.00 N ATOM 169 CA THR A 569 8.005 -9.416 -1.749 1.00 0.00 C ATOM 170 C THR A 569 9.366 -9.061 -2.339 1.00 0.00 C ATOM 171 O THR A 569 10.404 -9.372 -1.755 1.00 0.00 O ATOM 172 CB THR A 569 7.057 -9.841 -2.886 1.00 0.00 C ATOM 173 OG1 THR A 569 6.414 -8.689 -3.446 1.00 0.00 O ATOM 174 CG2 THR A 569 6.006 -10.816 -2.378 1.00 0.00 C ATOM 0 H THR A 569 7.007 -7.582 -1.548 1.00 0.00 H new ATOM 0 HA THR A 569 8.124 -10.248 -1.055 1.00 0.00 H new ATOM 0 HB THR A 569 7.649 -10.336 -3.656 1.00 0.00 H new ATOM 0 HG1 THR A 569 5.814 -8.968 -4.169 1.00 0.00 H new ATOM 0 HG21 THR A 569 5.348 -11.102 -3.199 1.00 0.00 H new ATOM 0 HG22 THR A 569 6.496 -11.704 -1.979 1.00 0.00 H new ATOM 0 HG23 THR A 569 5.420 -10.341 -1.591 1.00 0.00 H new ATOM 182 N ALA A 570 9.356 -8.411 -3.498 1.00 0.00 N ATOM 183 CA ALA A 570 10.592 -8.019 -4.162 1.00 0.00 C ATOM 184 C ALA A 570 11.087 -6.671 -3.652 1.00 0.00 C ATOM 185 O ALA A 570 10.295 -5.811 -3.271 1.00 0.00 O ATOM 186 CB ALA A 570 10.385 -7.972 -5.669 1.00 0.00 C ATOM 0 H ALA A 570 8.506 -8.145 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 570 11.353 -8.765 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.315 -7.678 -6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.085 -8.957 -6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.606 -7.247 -5.907 1.00 0.00 H new ATOM 192 N GLN A 571 12.404 -6.493 -3.649 1.00 0.00 N ATOM 193 CA GLN A 571 13.007 -5.247 -3.189 1.00 0.00 C ATOM 194 C GLN A 571 14.430 -5.107 -3.721 1.00 0.00 C ATOM 195 O GLN A 571 15.201 -6.066 -3.718 1.00 0.00 O ATOM 196 CB GLN A 571 13.003 -5.183 -1.661 1.00 0.00 C ATOM 197 CG GLN A 571 13.676 -3.940 -1.102 1.00 0.00 C ATOM 198 CD GLN A 571 14.895 -4.266 -0.262 1.00 0.00 C ATOM 199 OE1 GLN A 571 16.009 -3.843 -0.573 1.00 0.00 O ATOM 200 NE2 GLN A 571 14.692 -5.024 0.810 1.00 0.00 N ATOM 0 H GLN A 571 13.074 -7.196 -3.960 1.00 0.00 H new ATOM 0 HA GLN A 571 12.413 -4.418 -3.574 1.00 0.00 H new ATOM 0 HB2 GLN A 571 11.973 -5.218 -1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 571 13.506 -6.066 -1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 571 13.970 -3.289 -1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 571 12.960 -3.385 -0.496 1.00 0.00 H new ATOM 0 HE21 GLN A 571 13.752 -5.353 1.031 1.00 0.00 H new ATOM 0 HE22 GLN A 571 15.476 -5.277 1.412 1.00 0.00 H new ATOM 209 N THR A 572 14.768 -3.907 -4.180 1.00 0.00 N ATOM 210 CA THR A 572 16.094 -3.637 -4.718 1.00 0.00 C ATOM 211 C THR A 572 16.655 -2.330 -4.167 1.00 0.00 C ATOM 212 O THR A 572 16.268 -1.885 -3.086 1.00 0.00 O ATOM 213 CB THR A 572 16.069 -3.570 -6.258 1.00 0.00 C ATOM 214 OG1 THR A 572 15.047 -2.666 -6.694 1.00 0.00 O ATOM 215 CG2 THR A 572 15.821 -4.947 -6.855 1.00 0.00 C ATOM 0 H THR A 572 14.139 -3.104 -4.190 1.00 0.00 H new ATOM 0 HA THR A 572 16.738 -4.460 -4.409 1.00 0.00 H new ATOM 0 HB THR A 572 17.040 -3.211 -6.599 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.330 -2.636 -6.027 1.00 0.00 H new ATOM 0 HG21 THR A 572 15.808 -4.875 -7.943 1.00 0.00 H new ATOM 0 HG22 THR A 572 16.616 -5.626 -6.546 1.00 0.00 H new ATOM 0 HG23 THR A 572 14.862 -5.328 -6.505 1.00 0.00 H new ATOM 223 N THR A 573 17.570 -1.719 -4.913 1.00 0.00 N ATOM 224 CA THR A 573 18.185 -0.466 -4.495 1.00 0.00 C ATOM 225 C THR A 573 17.469 0.734 -5.107 1.00 0.00 C ATOM 226 O THR A 573 18.035 1.825 -5.193 1.00 0.00 O ATOM 227 CB THR A 573 19.673 -0.417 -4.891 1.00 0.00 C ATOM 228 OG1 THR A 573 19.953 -1.423 -5.871 1.00 0.00 O ATOM 229 CG2 THR A 573 20.564 -0.625 -3.676 1.00 0.00 C ATOM 0 H THR A 573 17.902 -2.072 -5.811 1.00 0.00 H new ATOM 0 HA THR A 573 18.099 -0.418 -3.409 1.00 0.00 H new ATOM 0 HB THR A 573 19.881 0.567 -5.311 1.00 0.00 H new ATOM 0 HG1 THR A 573 19.462 -1.223 -6.695 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.610 -0.586 -3.981 1.00 0.00 H new ATOM 0 HG22 THR A 573 20.370 0.159 -2.944 1.00 0.00 H new ATOM 0 HG23 THR A 573 20.352 -1.597 -3.231 1.00 0.00 H new ATOM 237 N SER A 574 16.223 0.531 -5.530 1.00 0.00 N ATOM 238 CA SER A 574 15.441 1.607 -6.133 1.00 0.00 C ATOM 239 C SER A 574 13.965 1.232 -6.244 1.00 0.00 C ATOM 240 O SER A 574 13.088 2.058 -5.993 1.00 0.00 O ATOM 241 CB SER A 574 15.994 1.948 -7.516 1.00 0.00 C ATOM 242 OG SER A 574 16.202 0.777 -8.287 1.00 0.00 O ATOM 0 H SER A 574 15.736 -0.363 -5.467 1.00 0.00 H new ATOM 0 HA SER A 574 15.521 2.479 -5.484 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.301 2.610 -8.035 1.00 0.00 H new ATOM 0 HB3 SER A 574 16.934 2.490 -7.411 1.00 0.00 H new ATOM 0 HG SER A 574 16.554 1.023 -9.168 1.00 0.00 H new ATOM 248 N SER A 575 13.695 -0.012 -6.632 1.00 0.00 N ATOM 249 CA SER A 575 12.320 -0.483 -6.786 1.00 0.00 C ATOM 250 C SER A 575 11.955 -1.490 -5.700 1.00 0.00 C ATOM 251 O SER A 575 12.826 -2.146 -5.131 1.00 0.00 O ATOM 252 CB SER A 575 12.131 -1.117 -8.166 1.00 0.00 C ATOM 253 OG SER A 575 13.379 -1.439 -8.755 1.00 0.00 O ATOM 0 H SER A 575 14.407 -0.710 -6.845 1.00 0.00 H new ATOM 0 HA SER A 575 11.658 0.378 -6.689 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.525 -2.018 -8.076 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.586 -0.430 -8.814 1.00 0.00 H new ATOM 0 HG SER A 575 13.900 -1.992 -8.136 1.00 0.00 H new ATOM 259 N ILE A 576 10.659 -1.611 -5.421 1.00 0.00 N ATOM 260 CA ILE A 576 10.180 -2.544 -4.406 1.00 0.00 C ATOM 261 C ILE A 576 8.703 -2.877 -4.613 1.00 0.00 C ATOM 262 O ILE A 576 7.882 -1.994 -4.859 1.00 0.00 O ATOM 263 CB ILE A 576 10.381 -1.982 -2.981 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.993 -3.030 -1.933 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.576 -0.704 -2.789 1.00 0.00 C ATOM 266 CD1 ILE A 576 10.240 -2.584 -0.508 1.00 0.00 C ATOM 0 H ILE A 576 9.924 -1.076 -5.883 1.00 0.00 H new ATOM 0 HA ILE A 576 10.770 -3.455 -4.512 1.00 0.00 H new ATOM 0 HB ILE A 576 11.436 -1.741 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.937 -3.275 -2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.555 -3.945 -2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 576 9.731 -0.324 -1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.902 0.044 -3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.517 -0.915 -2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.942 -3.377 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 576 11.300 -2.367 -0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.657 -1.687 -0.301 1.00 0.00 H new ATOM 278 N THR A 577 8.374 -4.162 -4.513 1.00 0.00 N ATOM 279 CA THR A 577 7.001 -4.621 -4.687 1.00 0.00 C ATOM 280 C THR A 577 6.366 -4.965 -3.343 1.00 0.00 C ATOM 281 O THR A 577 7.021 -5.516 -2.459 1.00 0.00 O ATOM 282 CB THR A 577 6.934 -5.856 -5.606 1.00 0.00 C ATOM 283 OG1 THR A 577 7.561 -5.567 -6.861 1.00 0.00 O ATOM 284 CG2 THR A 577 5.492 -6.284 -5.841 1.00 0.00 C ATOM 0 H THR A 577 9.043 -4.905 -4.312 1.00 0.00 H new ATOM 0 HA THR A 577 6.448 -3.804 -5.150 1.00 0.00 H new ATOM 0 HB THR A 577 7.461 -6.674 -5.115 1.00 0.00 H new ATOM 0 HG1 THR A 577 7.516 -6.357 -7.439 1.00 0.00 H new ATOM 0 HG21 THR A 577 5.473 -7.158 -6.493 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.026 -6.533 -4.887 1.00 0.00 H new ATOM 0 HG23 THR A 577 4.943 -5.469 -6.311 1.00 0.00 H new ATOM 292 N LEU A 578 5.086 -4.636 -3.197 1.00 0.00 N ATOM 293 CA LEU A 578 4.360 -4.912 -1.962 1.00 0.00 C ATOM 294 C LEU A 578 3.118 -5.751 -2.237 1.00 0.00 C ATOM 295 O LEU A 578 2.482 -5.612 -3.281 1.00 0.00 O ATOM 296 CB LEU A 578 3.960 -3.604 -1.274 1.00 0.00 C ATOM 297 CG LEU A 578 5.098 -2.855 -0.576 1.00 0.00 C ATOM 298 CD1 LEU A 578 4.593 -1.541 -0.002 1.00 0.00 C ATOM 299 CD2 LEU A 578 5.712 -3.712 0.523 1.00 0.00 C ATOM 0 H LEU A 578 4.530 -4.178 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 578 5.021 -5.475 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 578 3.515 -2.943 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 578 3.186 -3.822 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 578 5.870 -2.639 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.414 -1.020 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 578 4.200 -0.920 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 578 3.803 -1.740 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 578 6.519 -3.161 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.949 -3.959 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 578 6.109 -4.630 0.090 1.00 0.00 H new ATOM 311 N SER A 579 2.778 -6.622 -1.292 1.00 0.00 N ATOM 312 CA SER A 579 1.610 -7.484 -1.429 1.00 0.00 C ATOM 313 C SER A 579 0.780 -7.477 -0.148 1.00 0.00 C ATOM 314 O SER A 579 1.302 -7.717 0.942 1.00 0.00 O ATOM 315 CB SER A 579 2.040 -8.914 -1.767 1.00 0.00 C ATOM 316 OG SER A 579 2.565 -9.572 -0.629 1.00 0.00 O ATOM 0 H SER A 579 3.296 -6.749 -0.422 1.00 0.00 H new ATOM 0 HA SER A 579 0.996 -7.098 -2.242 1.00 0.00 H new ATOM 0 HB2 SER A 579 1.186 -9.472 -2.152 1.00 0.00 H new ATOM 0 HB3 SER A 579 2.790 -8.894 -2.557 1.00 0.00 H new ATOM 0 HG SER A 579 2.206 -9.157 0.183 1.00 0.00 H new ATOM 322 N TRP A 580 -0.512 -7.196 -0.285 1.00 0.00 N ATOM 323 CA TRP A 580 -1.412 -7.151 0.863 1.00 0.00 C ATOM 324 C TRP A 580 -2.738 -7.834 0.550 1.00 0.00 C ATOM 325 O TRP A 580 -3.023 -8.163 -0.603 1.00 0.00 O ATOM 326 CB TRP A 580 -1.663 -5.701 1.277 1.00 0.00 C ATOM 327 CG TRP A 580 -2.247 -4.870 0.177 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.571 -4.620 -0.051 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.528 -4.184 -0.852 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.717 -3.819 -1.158 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.475 -3.538 -1.668 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.171 -4.052 -1.161 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.109 -2.773 -2.773 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.191 -3.294 -2.257 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.773 -2.662 -3.051 1.00 0.00 C ATOM 0 H TRP A 580 -0.960 -6.996 -1.179 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.936 -7.686 1.685 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.337 -5.685 2.133 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.724 -5.254 1.602 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.384 -4.997 0.551 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.604 -3.488 -1.538 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.581 -4.534 -0.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -2.851 -2.286 -3.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.236 -3.187 -2.506 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.456 -2.075 -3.900 1.00 0.00 H new ATOM 346 N THR A 581 -3.548 -8.041 1.584 1.00 0.00 N ATOM 347 CA THR A 581 -4.846 -8.681 1.424 1.00 0.00 C ATOM 348 C THR A 581 -5.924 -7.659 1.078 1.00 0.00 C ATOM 349 O THR A 581 -5.962 -6.566 1.645 1.00 0.00 O ATOM 350 CB THR A 581 -5.259 -9.442 2.697 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.169 -10.246 3.162 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.470 -10.324 2.435 1.00 0.00 C ATOM 0 H THR A 581 -3.326 -7.774 2.543 1.00 0.00 H new ATOM 0 HA THR A 581 -4.749 -9.392 0.604 1.00 0.00 H new ATOM 0 HB THR A 581 -5.523 -8.710 3.460 1.00 0.00 H new ATOM 0 HG1 THR A 581 -4.439 -10.726 3.973 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.741 -10.851 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.307 -9.706 2.110 1.00 0.00 H new ATOM 0 HG23 THR A 581 -6.231 -11.049 1.657 1.00 0.00 H new ATOM 360 N ALA A 582 -6.796 -8.022 0.142 1.00 0.00 N ATOM 361 CA ALA A 582 -7.875 -7.139 -0.285 1.00 0.00 C ATOM 362 C ALA A 582 -8.789 -6.782 0.880 1.00 0.00 C ATOM 363 O ALA A 582 -8.733 -7.405 1.941 1.00 0.00 O ATOM 364 CB ALA A 582 -8.675 -7.788 -1.405 1.00 0.00 C ATOM 0 H ALA A 582 -6.776 -8.923 -0.336 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.429 -6.217 -0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -9.477 -7.118 -1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -8.020 -7.985 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -9.102 -8.726 -1.051 1.00 0.00 H new ATOM 370 N SER A 583 -9.632 -5.775 0.675 1.00 0.00 N ATOM 371 CA SER A 583 -10.559 -5.332 1.709 1.00 0.00 C ATOM 372 C SER A 583 -11.702 -6.329 1.880 1.00 0.00 C ATOM 373 O SER A 583 -12.554 -6.164 2.754 1.00 0.00 O ATOM 374 CB SER A 583 -11.119 -3.950 1.363 1.00 0.00 C ATOM 375 OG SER A 583 -11.672 -3.934 0.058 1.00 0.00 O ATOM 0 H SER A 583 -9.692 -5.251 -0.198 1.00 0.00 H new ATOM 0 HA SER A 583 -10.012 -5.270 2.650 1.00 0.00 H new ATOM 0 HB2 SER A 583 -11.884 -3.672 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 583 -10.326 -3.205 1.434 1.00 0.00 H new ATOM 0 HG SER A 583 -11.105 -3.393 -0.531 1.00 0.00 H new ATOM 381 N THR A 584 -11.714 -7.361 1.040 1.00 0.00 N ATOM 382 CA THR A 584 -12.752 -8.387 1.094 1.00 0.00 C ATOM 383 C THR A 584 -14.136 -7.779 0.885 1.00 0.00 C ATOM 384 O THR A 584 -15.154 -8.406 1.182 1.00 0.00 O ATOM 385 CB THR A 584 -12.729 -9.145 2.436 1.00 0.00 C ATOM 386 OG1 THR A 584 -11.393 -9.190 2.952 1.00 0.00 O ATOM 387 CG2 THR A 584 -13.258 -10.562 2.267 1.00 0.00 C ATOM 0 H THR A 584 -11.015 -7.509 0.312 1.00 0.00 H new ATOM 0 HA THR A 584 -12.542 -9.091 0.289 1.00 0.00 H new ATOM 0 HB THR A 584 -13.372 -8.614 3.138 1.00 0.00 H new ATOM 0 HG1 THR A 584 -11.388 -9.672 3.805 1.00 0.00 H new ATOM 0 HG21 THR A 584 -13.232 -11.077 3.227 1.00 0.00 H new ATOM 0 HG22 THR A 584 -14.285 -10.526 1.902 1.00 0.00 H new ATOM 0 HG23 THR A 584 -12.637 -11.099 1.550 1.00 0.00 H new ATOM 395 N ASP A 585 -14.164 -6.555 0.369 1.00 0.00 N ATOM 396 CA ASP A 585 -15.417 -5.855 0.114 1.00 0.00 C ATOM 397 C ASP A 585 -15.281 -4.935 -1.094 1.00 0.00 C ATOM 398 O ASP A 585 -15.305 -3.711 -0.962 1.00 0.00 O ATOM 399 CB ASP A 585 -15.832 -5.048 1.345 1.00 0.00 C ATOM 400 CG ASP A 585 -16.254 -5.931 2.504 1.00 0.00 C ATOM 401 OD1 ASP A 585 -15.378 -6.317 3.307 1.00 0.00 O ATOM 402 OD2 ASP A 585 -17.461 -6.234 2.611 1.00 0.00 O ATOM 0 H ASP A 585 -13.329 -6.025 0.118 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.188 -6.596 -0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -15.001 -4.416 1.658 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -16.655 -4.384 1.080 1.00 0.00 H new ATOM 407 N ASN A 586 -15.132 -5.535 -2.272 1.00 0.00 N ATOM 408 CA ASN A 586 -14.984 -4.772 -3.507 1.00 0.00 C ATOM 409 C ASN A 586 -16.340 -4.323 -4.044 1.00 0.00 C ATOM 410 O ASN A 586 -16.494 -4.086 -5.242 1.00 0.00 O ATOM 411 CB ASN A 586 -14.255 -5.605 -4.561 1.00 0.00 C ATOM 412 CG ASN A 586 -14.648 -7.069 -4.520 1.00 0.00 C ATOM 413 OD1 ASN A 586 -13.791 -7.954 -4.519 1.00 0.00 O ATOM 414 ND2 ASN A 586 -15.948 -7.333 -4.485 1.00 0.00 N ATOM 0 H ASN A 586 -15.111 -6.547 -2.397 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.394 -3.883 -3.283 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -14.471 -5.202 -5.551 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -13.179 -5.517 -4.409 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -16.271 -8.300 -4.456 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -16.624 -6.569 -4.487 1.00 0.00 H new ATOM 421 N VAL A 587 -17.319 -4.201 -3.152 1.00 0.00 N ATOM 422 CA VAL A 587 -18.657 -3.773 -3.540 1.00 0.00 C ATOM 423 C VAL A 587 -18.623 -2.363 -4.126 1.00 0.00 C ATOM 424 O VAL A 587 -19.543 -1.947 -4.830 1.00 0.00 O ATOM 425 CB VAL A 587 -19.628 -3.808 -2.342 1.00 0.00 C ATOM 426 CG1 VAL A 587 -19.256 -2.749 -1.317 1.00 0.00 C ATOM 427 CG2 VAL A 587 -21.065 -3.630 -2.811 1.00 0.00 C ATOM 0 H VAL A 587 -17.210 -4.393 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 587 -19.014 -4.470 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 587 -19.546 -4.784 -1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -19.954 -2.791 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -18.244 -2.932 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -19.303 -1.763 -1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -21.734 -3.658 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -21.166 -2.671 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -21.325 -4.434 -3.499 1.00 0.00 H new ATOM 437 N GLY A 588 -17.548 -1.637 -3.830 1.00 0.00 N ATOM 438 CA GLY A 588 -17.398 -0.283 -4.332 1.00 0.00 C ATOM 439 C GLY A 588 -15.945 0.094 -4.540 1.00 0.00 C ATOM 440 O GLY A 588 -15.639 1.085 -5.205 1.00 0.00 O ATOM 0 H GLY A 588 -16.776 -1.964 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.935 -0.186 -5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.856 0.415 -3.631 1.00 0.00 H new ATOM 444 N VAL A 589 -15.045 -0.702 -3.967 1.00 0.00 N ATOM 445 CA VAL A 589 -13.612 -0.457 -4.087 1.00 0.00 C ATOM 446 C VAL A 589 -13.145 -0.630 -5.529 1.00 0.00 C ATOM 447 O VAL A 589 -13.643 -1.491 -6.253 1.00 0.00 O ATOM 448 CB VAL A 589 -12.806 -1.404 -3.178 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.345 -0.988 -3.129 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.404 -1.442 -1.779 1.00 0.00 C ATOM 0 H VAL A 589 -15.285 -1.524 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.436 0.572 -3.774 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.858 -2.408 -3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.794 -1.670 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.923 -1.021 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.268 0.026 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.821 -2.116 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.387 -0.441 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.433 -1.796 -1.833 1.00 0.00 H new ATOM 460 N THR A 590 -12.184 0.195 -5.939 1.00 0.00 N ATOM 461 CA THR A 590 -11.651 0.131 -7.296 1.00 0.00 C ATOM 462 C THR A 590 -10.139 -0.073 -7.288 1.00 0.00 C ATOM 463 O THR A 590 -9.618 -0.938 -7.992 1.00 0.00 O ATOM 464 CB THR A 590 -11.977 1.410 -8.089 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.430 2.553 -7.420 1.00 0.00 O ATOM 466 CG2 THR A 590 -13.479 1.581 -8.249 1.00 0.00 C ATOM 0 H THR A 590 -11.760 0.913 -5.352 1.00 0.00 H new ATOM 0 HA THR A 590 -12.128 -0.722 -7.780 1.00 0.00 H new ATOM 0 HB THR A 590 -11.531 1.320 -9.080 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.640 3.363 -7.931 1.00 0.00 H new ATOM 0 HG21 THR A 590 -13.684 2.491 -8.812 1.00 0.00 H new ATOM 0 HG22 THR A 590 -13.888 0.724 -8.784 1.00 0.00 H new ATOM 0 HG23 THR A 590 -13.944 1.651 -7.266 1.00 0.00 H new ATOM 474 N GLY A 591 -9.440 0.733 -6.492 1.00 0.00 N ATOM 475 CA GLY A 591 -7.995 0.624 -6.417 1.00 0.00 C ATOM 476 C GLY A 591 -7.465 0.798 -5.006 1.00 0.00 C ATOM 477 O GLY A 591 -8.237 0.909 -4.053 1.00 0.00 O ATOM 0 H GLY A 591 -9.848 1.457 -5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.688 -0.350 -6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.544 1.376 -7.065 1.00 0.00 H new ATOM 481 N TYR A 592 -6.142 0.820 -4.877 1.00 0.00 N ATOM 482 CA TYR A 592 -5.497 0.980 -3.578 1.00 0.00 C ATOM 483 C TYR A 592 -4.376 2.015 -3.656 1.00 0.00 C ATOM 484 O TYR A 592 -3.810 2.249 -4.725 1.00 0.00 O ATOM 485 CB TYR A 592 -4.938 -0.361 -3.099 1.00 0.00 C ATOM 486 CG TYR A 592 -6.004 -1.402 -2.836 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.487 -2.205 -3.861 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.526 -1.580 -1.561 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.461 -3.157 -3.623 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.500 -2.529 -1.315 1.00 0.00 C ATOM 491 CZ TYR A 592 -7.965 -3.314 -2.355 1.00 0.00 C ATOM 492 OH TYR A 592 -8.932 -4.262 -2.107 1.00 0.00 O ATOM 0 H TYR A 592 -5.494 0.729 -5.659 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.243 1.331 -2.865 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.244 -0.744 -3.847 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.365 -0.201 -2.186 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.095 -2.084 -4.860 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -6.165 -0.967 -0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -7.824 -3.775 -4.431 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -7.895 -2.657 -0.318 1.00 0.00 H new ATOM 0 HH TYR A 592 -8.821 -5.013 -2.727 1.00 0.00 H new ATOM 502 N ASP A 593 -4.063 2.630 -2.521 1.00 0.00 N ATOM 503 CA ASP A 593 -3.011 3.641 -2.462 1.00 0.00 C ATOM 504 C ASP A 593 -1.929 3.244 -1.465 1.00 0.00 C ATOM 505 O ASP A 593 -2.226 2.763 -0.372 1.00 0.00 O ATOM 506 CB ASP A 593 -3.600 4.997 -2.073 1.00 0.00 C ATOM 507 CG ASP A 593 -4.947 5.251 -2.719 1.00 0.00 C ATOM 508 OD1 ASP A 593 -4.972 5.640 -3.905 1.00 0.00 O ATOM 509 OD2 ASP A 593 -5.978 5.058 -2.040 1.00 0.00 O ATOM 0 H ASP A 593 -4.522 2.447 -1.629 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.560 3.716 -3.452 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -3.705 5.046 -0.989 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -2.907 5.787 -2.362 1.00 0.00 H new ATOM 514 N VAL A 594 -0.674 3.452 -1.846 1.00 0.00 N ATOM 515 CA VAL A 594 0.451 3.120 -0.979 1.00 0.00 C ATOM 516 C VAL A 594 1.045 4.380 -0.358 1.00 0.00 C ATOM 517 O VAL A 594 1.355 5.341 -1.061 1.00 0.00 O ATOM 518 CB VAL A 594 1.549 2.359 -1.746 1.00 0.00 C ATOM 519 CG1 VAL A 594 2.691 1.980 -0.813 1.00 0.00 C ATOM 520 CG2 VAL A 594 0.967 1.124 -2.417 1.00 0.00 C ATOM 0 H VAL A 594 -0.410 3.848 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 594 0.069 2.474 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 594 1.948 3.014 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 594 3.456 1.443 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 594 3.123 2.883 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 594 2.312 1.342 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 594 1.755 0.597 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 594 0.541 0.465 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 594 0.187 1.424 -3.117 1.00 0.00 H new ATOM 530 N TYR A 595 1.192 4.370 0.962 1.00 0.00 N ATOM 531 CA TYR A 595 1.739 5.516 1.680 1.00 0.00 C ATOM 532 C TYR A 595 3.197 5.284 2.066 1.00 0.00 C ATOM 533 O TYR A 595 3.531 4.282 2.699 1.00 0.00 O ATOM 534 CB TYR A 595 0.915 5.792 2.940 1.00 0.00 C ATOM 535 CG TYR A 595 -0.390 6.507 2.674 1.00 0.00 C ATOM 536 CD1 TYR A 595 -0.406 7.816 2.212 1.00 0.00 C ATOM 537 CD2 TYR A 595 -1.608 5.873 2.892 1.00 0.00 C ATOM 538 CE1 TYR A 595 -1.597 8.473 1.972 1.00 0.00 C ATOM 539 CE2 TYR A 595 -2.803 6.524 2.654 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.793 7.823 2.194 1.00 0.00 C ATOM 541 OH TYR A 595 -3.981 8.475 1.956 1.00 0.00 O ATOM 0 H TYR A 595 0.940 3.581 1.557 1.00 0.00 H new ATOM 0 HA TYR A 595 1.691 6.378 1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 595 0.705 4.846 3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.512 6.390 3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 595 0.528 8.329 2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 595 -1.620 4.855 3.253 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -1.592 9.491 1.612 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -3.741 6.017 2.828 1.00 0.00 H new ATOM 0 HH TYR A 595 -4.729 7.877 2.162 1.00 0.00 H new ATOM 551 N ASN A 596 4.059 6.227 1.693 1.00 0.00 N ATOM 552 CA ASN A 596 5.476 6.136 2.011 1.00 0.00 C ATOM 553 C ASN A 596 5.797 6.986 3.234 1.00 0.00 C ATOM 554 O ASN A 596 6.214 8.138 3.115 1.00 0.00 O ATOM 555 CB ASN A 596 6.321 6.599 0.822 1.00 0.00 C ATOM 556 CG ASN A 596 5.876 7.944 0.282 1.00 0.00 C ATOM 557 OD1 ASN A 596 4.806 8.065 -0.313 1.00 0.00 O ATOM 558 ND2 ASN A 596 6.699 8.966 0.488 1.00 0.00 N ATOM 0 H ASN A 596 3.798 7.063 1.170 1.00 0.00 H new ATOM 0 HA ASN A 596 5.714 5.095 2.228 1.00 0.00 H new ATOM 0 HB2 ASN A 596 7.366 6.661 1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.263 5.855 0.028 1.00 0.00 H new ATOM 0 HD21 ASN A 596 6.453 9.896 0.148 1.00 0.00 H new ATOM 0 HD22 ASN A 596 7.577 8.821 0.987 1.00 0.00 H new ATOM 565 N GLY A 597 5.588 6.411 4.413 1.00 0.00 N ATOM 566 CA GLY A 597 5.850 7.129 5.645 1.00 0.00 C ATOM 567 C GLY A 597 4.695 8.030 6.041 1.00 0.00 C ATOM 568 O GLY A 597 3.971 7.736 6.992 1.00 0.00 O ATOM 0 H GLY A 597 5.242 5.460 4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.042 6.415 6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 597 6.753 7.729 5.529 1.00 0.00 H new ATOM 572 N THR A 598 4.525 9.129 5.310 1.00 0.00 N ATOM 573 CA THR A 598 3.451 10.077 5.591 1.00 0.00 C ATOM 574 C THR A 598 2.944 10.734 4.311 1.00 0.00 C ATOM 575 O THR A 598 2.084 11.614 4.355 1.00 0.00 O ATOM 576 CB THR A 598 3.917 11.179 6.562 1.00 0.00 C ATOM 577 OG1 THR A 598 5.186 11.695 6.143 1.00 0.00 O ATOM 578 CG2 THR A 598 4.028 10.643 7.982 1.00 0.00 C ATOM 0 H THR A 598 5.117 9.385 4.519 1.00 0.00 H new ATOM 0 HA THR A 598 2.643 9.508 6.051 1.00 0.00 H new ATOM 0 HB THR A 598 3.176 11.978 6.550 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.475 12.396 6.764 1.00 0.00 H new ATOM 0 HG21 THR A 598 4.359 11.441 8.647 1.00 0.00 H new ATOM 0 HG22 THR A 598 3.055 10.277 8.310 1.00 0.00 H new ATOM 0 HG23 THR A 598 4.750 9.827 8.007 1.00 0.00 H new ATOM 586 N ALA A 599 3.486 10.306 3.175 1.00 0.00 N ATOM 587 CA ALA A 599 3.090 10.860 1.884 1.00 0.00 C ATOM 588 C ALA A 599 2.558 9.777 0.952 1.00 0.00 C ATOM 589 O ALA A 599 2.606 8.590 1.272 1.00 0.00 O ATOM 590 CB ALA A 599 4.266 11.577 1.240 1.00 0.00 C ATOM 0 H ALA A 599 4.199 9.579 3.122 1.00 0.00 H new ATOM 0 HA ALA A 599 2.286 11.575 2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 599 3.960 11.986 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 599 4.598 12.387 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 599 5.084 10.872 1.091 1.00 0.00 H new ATOM 596 N LEU A 600 2.055 10.199 -0.204 1.00 0.00 N ATOM 597 CA LEU A 600 1.517 9.270 -1.192 1.00 0.00 C ATOM 598 C LEU A 600 2.608 8.825 -2.162 1.00 0.00 C ATOM 599 O LEU A 600 3.199 9.646 -2.864 1.00 0.00 O ATOM 600 CB LEU A 600 0.362 9.922 -1.960 1.00 0.00 C ATOM 601 CG LEU A 600 -0.520 8.970 -2.780 1.00 0.00 C ATOM 602 CD1 LEU A 600 -0.021 8.882 -4.214 1.00 0.00 C ATOM 603 CD2 LEU A 600 -0.579 7.585 -2.149 1.00 0.00 C ATOM 0 H LEU A 600 2.009 11.180 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 600 1.141 8.391 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.271 10.449 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.777 10.672 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 600 -1.531 9.376 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -0.658 8.203 -4.780 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -0.049 9.871 -4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 600 1.003 8.509 -4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -1.212 6.936 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 600 0.426 7.166 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 600 -0.994 7.661 -1.144 1.00 0.00 H new ATOM 615 N ALA A 601 2.875 7.523 -2.192 1.00 0.00 N ATOM 616 CA ALA A 601 3.901 6.975 -3.072 1.00 0.00 C ATOM 617 C ALA A 601 3.308 6.526 -4.406 1.00 0.00 C ATOM 618 O ALA A 601 2.999 7.352 -5.265 1.00 0.00 O ATOM 619 CB ALA A 601 4.621 5.823 -2.386 1.00 0.00 C ATOM 0 H ALA A 601 2.396 6.829 -1.618 1.00 0.00 H new ATOM 0 HA ALA A 601 4.623 7.764 -3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.384 5.422 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 601 5.091 6.181 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 601 3.904 5.039 -2.143 1.00 0.00 H new ATOM 625 N THR A 602 3.157 5.214 -4.579 1.00 0.00 N ATOM 626 CA THR A 602 2.609 4.664 -5.814 1.00 0.00 C ATOM 627 C THR A 602 1.092 4.516 -5.739 1.00 0.00 C ATOM 628 O THR A 602 0.486 4.721 -4.686 1.00 0.00 O ATOM 629 CB THR A 602 3.234 3.294 -6.142 1.00 0.00 C ATOM 630 OG1 THR A 602 2.822 2.866 -7.447 1.00 0.00 O ATOM 631 CG2 THR A 602 2.831 2.250 -5.111 1.00 0.00 C ATOM 0 H THR A 602 3.406 4.514 -3.880 1.00 0.00 H new ATOM 0 HA THR A 602 2.856 5.371 -6.606 1.00 0.00 H new ATOM 0 HB THR A 602 4.318 3.402 -6.120 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.523 2.309 -7.845 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.285 1.293 -5.366 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.172 2.562 -4.124 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.746 2.146 -5.103 1.00 0.00 H new ATOM 639 N THR A 603 0.491 4.149 -6.866 1.00 0.00 N ATOM 640 CA THR A 603 -0.952 3.960 -6.946 1.00 0.00 C ATOM 641 C THR A 603 -1.287 2.735 -7.789 1.00 0.00 C ATOM 642 O THR A 603 -0.933 2.666 -8.966 1.00 0.00 O ATOM 643 CB THR A 603 -1.649 5.194 -7.550 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.048 6.393 -7.043 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.134 5.190 -7.225 1.00 0.00 C ATOM 0 H THR A 603 0.985 3.976 -7.741 1.00 0.00 H new ATOM 0 HA THR A 603 -1.315 3.815 -5.929 1.00 0.00 H new ATOM 0 HB THR A 603 -1.530 5.157 -8.633 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.495 7.173 -7.433 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.604 6.071 -7.662 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.594 4.291 -7.636 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.270 5.205 -6.144 1.00 0.00 H new ATOM 653 N VAL A 604 -1.963 1.765 -7.180 1.00 0.00 N ATOM 654 CA VAL A 604 -2.332 0.540 -7.878 1.00 0.00 C ATOM 655 C VAL A 604 -3.841 0.316 -7.855 1.00 0.00 C ATOM 656 O VAL A 604 -4.600 1.177 -7.412 1.00 0.00 O ATOM 657 CB VAL A 604 -1.633 -0.683 -7.260 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.148 -0.669 -7.589 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.852 -0.719 -5.755 1.00 0.00 C ATOM 0 H VAL A 604 -2.265 1.804 -6.207 1.00 0.00 H new ATOM 0 HA VAL A 604 -2.007 0.657 -8.912 1.00 0.00 H new ATOM 0 HB VAL A 604 -2.070 -1.585 -7.689 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.331 -1.541 -7.144 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -0.015 -0.694 -8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.305 0.238 -7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.350 -1.591 -5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.443 0.186 -5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.920 -0.778 -5.544 1.00 0.00 H new ATOM 669 N THR A 605 -4.266 -0.850 -8.336 1.00 0.00 N ATOM 670 CA THR A 605 -5.684 -1.194 -8.374 1.00 0.00 C ATOM 671 C THR A 605 -5.901 -2.665 -8.038 1.00 0.00 C ATOM 672 O THR A 605 -7.034 -3.105 -7.839 1.00 0.00 O ATOM 673 CB THR A 605 -6.297 -0.903 -9.757 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.495 -1.498 -10.784 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.407 0.595 -9.997 1.00 0.00 C ATOM 0 H THR A 605 -3.648 -1.573 -8.705 1.00 0.00 H new ATOM 0 HA THR A 605 -6.179 -0.574 -7.627 1.00 0.00 H new ATOM 0 HB THR A 605 -7.298 -1.333 -9.783 1.00 0.00 H new ATOM 0 HG1 THR A 605 -5.893 -1.310 -11.660 1.00 0.00 H new ATOM 0 HG21 THR A 605 -6.843 0.775 -10.980 1.00 0.00 H new ATOM 0 HG22 THR A 605 -7.042 1.040 -9.231 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.415 1.045 -9.952 1.00 0.00 H new ATOM 683 N GLY A 606 -4.810 -3.422 -7.977 1.00 0.00 N ATOM 684 CA GLY A 606 -4.903 -4.837 -7.667 1.00 0.00 C ATOM 685 C GLY A 606 -4.527 -5.145 -6.231 1.00 0.00 C ATOM 686 O GLY A 606 -5.108 -4.593 -5.298 1.00 0.00 O ATOM 0 H GLY A 606 -3.862 -3.080 -8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.921 -5.180 -7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.250 -5.396 -8.338 1.00 0.00 H new ATOM 690 N THR A 607 -3.551 -6.031 -6.054 1.00 0.00 N ATOM 691 CA THR A 607 -3.096 -6.413 -4.722 1.00 0.00 C ATOM 692 C THR A 607 -1.607 -6.138 -4.547 1.00 0.00 C ATOM 693 O THR A 607 -1.090 -6.163 -3.430 1.00 0.00 O ATOM 694 CB THR A 607 -3.367 -7.903 -4.442 1.00 0.00 C ATOM 695 OG1 THR A 607 -2.865 -8.706 -5.518 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.856 -8.159 -4.266 1.00 0.00 C ATOM 0 H THR A 607 -3.060 -6.498 -6.817 1.00 0.00 H new ATOM 0 HA THR A 607 -3.659 -5.808 -4.012 1.00 0.00 H new ATOM 0 HB THR A 607 -2.855 -8.173 -3.518 1.00 0.00 H new ATOM 0 HG1 THR A 607 -3.040 -9.652 -5.330 1.00 0.00 H new ATOM 0 HG21 THR A 607 -5.022 -9.218 -4.069 1.00 0.00 H new ATOM 0 HG22 THR A 607 -5.230 -7.571 -3.428 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.385 -7.871 -5.175 1.00 0.00 H new ATOM 704 N THR A 608 -0.924 -5.873 -5.656 1.00 0.00 N ATOM 705 CA THR A 608 0.507 -5.589 -5.625 1.00 0.00 C ATOM 706 C THR A 608 0.776 -4.104 -5.839 1.00 0.00 C ATOM 707 O THR A 608 -0.138 -3.337 -6.140 1.00 0.00 O ATOM 708 CB THR A 608 1.266 -6.396 -6.695 1.00 0.00 C ATOM 709 OG1 THR A 608 0.965 -5.885 -7.999 1.00 0.00 O ATOM 710 CG2 THR A 608 0.897 -7.871 -6.627 1.00 0.00 C ATOM 0 H THR A 608 -1.338 -5.849 -6.588 1.00 0.00 H new ATOM 0 HA THR A 608 0.866 -5.883 -4.639 1.00 0.00 H new ATOM 0 HB THR A 608 2.334 -6.296 -6.502 1.00 0.00 H new ATOM 0 HG1 THR A 608 1.453 -6.402 -8.674 1.00 0.00 H new ATOM 0 HG21 THR A 608 1.446 -8.419 -7.393 1.00 0.00 H new ATOM 0 HG22 THR A 608 1.154 -8.265 -5.644 1.00 0.00 H new ATOM 0 HG23 THR A 608 -0.174 -7.986 -6.796 1.00 0.00 H new ATOM 718 N ALA A 609 2.035 -3.705 -5.682 1.00 0.00 N ATOM 719 CA ALA A 609 2.424 -2.310 -5.856 1.00 0.00 C ATOM 720 C ALA A 609 3.883 -2.194 -6.285 1.00 0.00 C ATOM 721 O ALA A 609 4.690 -3.083 -6.016 1.00 0.00 O ATOM 722 CB ALA A 609 2.186 -1.533 -4.570 1.00 0.00 C ATOM 0 H ALA A 609 2.803 -4.329 -5.434 1.00 0.00 H new ATOM 0 HA ALA A 609 1.807 -1.883 -6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.480 -0.493 -4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 609 1.129 -1.578 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.778 -1.970 -3.766 1.00 0.00 H new ATOM 728 N THR A 610 4.216 -1.093 -6.952 1.00 0.00 N ATOM 729 CA THR A 610 5.579 -0.863 -7.416 1.00 0.00 C ATOM 730 C THR A 610 6.074 0.522 -7.010 1.00 0.00 C ATOM 731 O THR A 610 5.522 1.539 -7.432 1.00 0.00 O ATOM 732 CB THR A 610 5.686 -1.002 -8.946 1.00 0.00 C ATOM 733 OG1 THR A 610 4.916 -2.125 -9.392 1.00 0.00 O ATOM 734 CG2 THR A 610 7.136 -1.174 -9.374 1.00 0.00 C ATOM 0 H THR A 610 3.560 -0.347 -7.183 1.00 0.00 H new ATOM 0 HA THR A 610 6.202 -1.623 -6.945 1.00 0.00 H new ATOM 0 HB THR A 610 5.295 -0.091 -9.399 1.00 0.00 H new ATOM 0 HG1 THR A 610 4.988 -2.205 -10.366 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.186 -1.270 -10.459 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.714 -0.305 -9.060 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.548 -2.070 -8.911 1.00 0.00 H new ATOM 742 N ILE A 611 7.119 0.553 -6.188 1.00 0.00 N ATOM 743 CA ILE A 611 7.692 1.810 -5.723 1.00 0.00 C ATOM 744 C ILE A 611 9.121 1.979 -6.227 1.00 0.00 C ATOM 745 O ILE A 611 10.031 1.278 -5.786 1.00 0.00 O ATOM 746 CB ILE A 611 7.684 1.895 -4.183 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.254 1.780 -3.653 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.323 3.197 -3.717 1.00 0.00 C ATOM 749 CD1 ILE A 611 6.129 0.880 -2.443 1.00 0.00 C ATOM 0 H ILE A 611 7.586 -0.280 -5.830 1.00 0.00 H new ATOM 0 HA ILE A 611 7.072 2.611 -6.124 1.00 0.00 H new ATOM 0 HB ILE A 611 8.269 1.065 -3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 611 5.889 2.774 -3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.610 1.400 -4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.309 3.240 -2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.354 3.243 -4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.764 4.041 -4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 611 5.088 0.845 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.463 -0.125 -2.701 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.746 1.271 -1.634 1.00 0.00 H new ATOM 761 N SER A 612 9.312 2.916 -7.151 1.00 0.00 N ATOM 762 CA SER A 612 10.631 3.177 -7.714 1.00 0.00 C ATOM 763 C SER A 612 11.190 4.500 -7.197 1.00 0.00 C ATOM 764 O SER A 612 10.436 5.390 -6.804 1.00 0.00 O ATOM 765 CB SER A 612 10.560 3.205 -9.242 1.00 0.00 C ATOM 766 OG SER A 612 10.162 1.947 -9.757 1.00 0.00 O ATOM 0 H SER A 612 8.569 3.507 -7.525 1.00 0.00 H new ATOM 0 HA SER A 612 11.297 2.373 -7.402 1.00 0.00 H new ATOM 0 HB2 SER A 612 9.855 3.972 -9.562 1.00 0.00 H new ATOM 0 HB3 SER A 612 11.534 3.477 -9.650 1.00 0.00 H new ATOM 0 HG SER A 612 10.123 1.992 -10.735 1.00 0.00 H new ATOM 772 N GLY A 613 12.514 4.620 -7.204 1.00 0.00 N ATOM 773 CA GLY A 613 13.151 5.837 -6.735 1.00 0.00 C ATOM 774 C GLY A 613 13.475 5.790 -5.255 1.00 0.00 C ATOM 775 O GLY A 613 13.075 6.674 -4.497 1.00 0.00 O ATOM 0 H GLY A 613 13.157 3.896 -7.526 1.00 0.00 H new ATOM 0 HA2 GLY A 613 14.069 6.004 -7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.496 6.686 -6.933 1.00 0.00 H new ATOM 779 N LEU A 614 14.205 4.757 -4.842 1.00 0.00 N ATOM 780 CA LEU A 614 14.582 4.601 -3.442 1.00 0.00 C ATOM 781 C LEU A 614 16.099 4.616 -3.281 1.00 0.00 C ATOM 782 O LEU A 614 16.829 4.109 -4.131 1.00 0.00 O ATOM 783 CB LEU A 614 14.012 3.299 -2.878 1.00 0.00 C ATOM 784 CG LEU A 614 12.496 3.150 -2.990 1.00 0.00 C ATOM 785 CD1 LEU A 614 12.112 1.684 -3.123 1.00 0.00 C ATOM 786 CD2 LEU A 614 11.820 3.772 -1.783 1.00 0.00 C ATOM 0 H LEU A 614 14.546 4.018 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 614 14.167 5.442 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 614 14.482 2.462 -3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.292 3.224 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 614 12.159 3.672 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 614 11.028 1.597 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 614 12.575 1.266 -4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 614 12.457 1.136 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.740 3.660 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 614 12.162 3.272 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 614 12.072 4.831 -1.730 1.00 0.00 H new ATOM 798 N ALA A 615 16.563 5.202 -2.181 1.00 0.00 N ATOM 799 CA ALA A 615 17.992 5.285 -1.901 1.00 0.00 C ATOM 800 C ALA A 615 18.442 4.135 -1.005 1.00 0.00 C ATOM 801 O ALA A 615 17.756 3.777 -0.048 1.00 0.00 O ATOM 802 CB ALA A 615 18.324 6.621 -1.254 1.00 0.00 C ATOM 0 H ALA A 615 15.969 5.627 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 615 18.529 5.207 -2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.394 6.671 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 615 18.045 7.431 -1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.771 6.720 -0.320 1.00 0.00 H new ATOM 808 N ALA A 616 19.596 3.559 -1.325 1.00 0.00 N ATOM 809 CA ALA A 616 20.138 2.445 -0.552 1.00 0.00 C ATOM 810 C ALA A 616 20.566 2.891 0.844 1.00 0.00 C ATOM 811 O ALA A 616 20.754 4.082 1.097 1.00 0.00 O ATOM 812 CB ALA A 616 21.312 1.818 -1.287 1.00 0.00 C ATOM 0 H ALA A 616 20.175 3.845 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 616 19.349 1.701 -0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.707 0.989 -0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.979 1.450 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 616 22.092 2.565 -1.431 1.00 0.00 H new ATOM 818 N ASP A 617 20.721 1.920 1.744 1.00 0.00 N ATOM 819 CA ASP A 617 21.134 2.195 3.118 1.00 0.00 C ATOM 820 C ASP A 617 20.199 3.200 3.788 1.00 0.00 C ATOM 821 O ASP A 617 20.648 4.118 4.475 1.00 0.00 O ATOM 822 CB ASP A 617 22.572 2.718 3.146 1.00 0.00 C ATOM 823 CG ASP A 617 23.460 2.022 2.133 1.00 0.00 C ATOM 824 OD1 ASP A 617 23.692 0.804 2.284 1.00 0.00 O ATOM 825 OD2 ASP A 617 23.924 2.694 1.188 1.00 0.00 O ATOM 0 H ASP A 617 20.566 0.932 1.544 1.00 0.00 H new ATOM 0 HA ASP A 617 21.082 1.260 3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.570 3.790 2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.987 2.580 4.144 1.00 0.00 H new ATOM 830 N THR A 618 18.899 3.019 3.582 1.00 0.00 N ATOM 831 CA THR A 618 17.902 3.909 4.166 1.00 0.00 C ATOM 832 C THR A 618 16.679 3.133 4.648 1.00 0.00 C ATOM 833 O THR A 618 16.294 2.129 4.048 1.00 0.00 O ATOM 834 CB THR A 618 17.453 4.980 3.156 1.00 0.00 C ATOM 835 OG1 THR A 618 18.592 5.510 2.465 1.00 0.00 O ATOM 836 CG2 THR A 618 16.710 6.108 3.854 1.00 0.00 C ATOM 0 H THR A 618 18.511 2.265 3.015 1.00 0.00 H new ATOM 0 HA THR A 618 18.374 4.396 5.020 1.00 0.00 H new ATOM 0 HB THR A 618 16.778 4.510 2.440 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.714 5.030 1.619 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.403 6.852 3.118 1.00 0.00 H new ATOM 0 HG22 THR A 618 15.828 5.708 4.355 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.365 6.574 4.590 1.00 0.00 H new ATOM 844 N SER A 619 16.066 3.609 5.731 1.00 0.00 N ATOM 845 CA SER A 619 14.881 2.962 6.287 1.00 0.00 C ATOM 846 C SER A 619 13.613 3.558 5.683 1.00 0.00 C ATOM 847 O SER A 619 13.366 4.758 5.798 1.00 0.00 O ATOM 848 CB SER A 619 14.855 3.110 7.809 1.00 0.00 C ATOM 849 OG SER A 619 14.140 2.045 8.413 1.00 0.00 O ATOM 0 H SER A 619 16.371 4.439 6.239 1.00 0.00 H new ATOM 0 HA SER A 619 14.923 1.902 6.038 1.00 0.00 H new ATOM 0 HB2 SER A 619 15.875 3.131 8.193 1.00 0.00 H new ATOM 0 HB3 SER A 619 14.393 4.060 8.077 1.00 0.00 H new ATOM 0 HG SER A 619 14.139 2.162 9.386 1.00 0.00 H new ATOM 855 N TYR A 620 12.818 2.715 5.032 1.00 0.00 N ATOM 856 CA TYR A 620 11.582 3.165 4.403 1.00 0.00 C ATOM 857 C TYR A 620 10.371 2.421 4.954 1.00 0.00 C ATOM 858 O TYR A 620 10.347 1.191 4.992 1.00 0.00 O ATOM 859 CB TYR A 620 11.654 2.969 2.886 1.00 0.00 C ATOM 860 CG TYR A 620 12.678 3.847 2.205 1.00 0.00 C ATOM 861 CD1 TYR A 620 12.480 5.217 2.086 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.843 3.304 1.677 1.00 0.00 C ATOM 863 CE1 TYR A 620 13.414 6.021 1.461 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.781 4.103 1.052 1.00 0.00 C ATOM 865 CZ TYR A 620 14.562 5.459 0.948 1.00 0.00 C ATOM 866 OH TYR A 620 15.496 6.257 0.327 1.00 0.00 O ATOM 0 H TYR A 620 13.007 1.718 4.926 1.00 0.00 H new ATOM 0 HA TYR A 620 11.467 4.225 4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.886 1.925 2.675 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.673 3.171 2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 620 11.581 5.661 2.489 1.00 0.00 H new ATOM 0 HD2 TYR A 620 14.018 2.241 1.756 1.00 0.00 H new ATOM 0 HE1 TYR A 620 13.245 7.084 1.375 1.00 0.00 H new ATOM 0 HE2 TYR A 620 15.682 3.666 0.647 1.00 0.00 H new ATOM 0 HH TYR A 620 15.937 6.824 0.994 1.00 0.00 H new ATOM 876 N THR A 621 9.358 3.179 5.360 1.00 0.00 N ATOM 877 CA THR A 621 8.129 2.601 5.887 1.00 0.00 C ATOM 878 C THR A 621 7.023 2.691 4.842 1.00 0.00 C ATOM 879 O THR A 621 6.926 3.683 4.120 1.00 0.00 O ATOM 880 CB THR A 621 7.670 3.313 7.173 1.00 0.00 C ATOM 881 OG1 THR A 621 7.497 4.714 6.925 1.00 0.00 O ATOM 882 CG2 THR A 621 8.681 3.113 8.292 1.00 0.00 C ATOM 0 H THR A 621 9.365 4.199 5.334 1.00 0.00 H new ATOM 0 HA THR A 621 8.334 1.558 6.128 1.00 0.00 H new ATOM 0 HB THR A 621 6.719 2.879 7.481 1.00 0.00 H new ATOM 0 HG1 THR A 621 7.069 5.133 7.700 1.00 0.00 H new ATOM 0 HG21 THR A 621 8.336 3.625 9.190 1.00 0.00 H new ATOM 0 HG22 THR A 621 8.788 2.048 8.500 1.00 0.00 H new ATOM 0 HG23 THR A 621 9.645 3.522 7.989 1.00 0.00 H new ATOM 890 N PHE A 622 6.201 1.650 4.746 1.00 0.00 N ATOM 891 CA PHE A 622 5.123 1.637 3.760 1.00 0.00 C ATOM 892 C PHE A 622 3.777 1.284 4.386 1.00 0.00 C ATOM 893 O PHE A 622 3.701 0.850 5.535 1.00 0.00 O ATOM 894 CB PHE A 622 5.446 0.646 2.638 1.00 0.00 C ATOM 895 CG PHE A 622 6.531 1.119 1.711 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.429 2.341 1.063 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.656 0.340 1.488 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.428 2.775 0.212 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.658 0.770 0.639 1.00 0.00 C ATOM 900 CZ PHE A 622 8.544 1.989 0.001 1.00 0.00 C ATOM 0 H PHE A 622 6.258 0.815 5.329 1.00 0.00 H new ATOM 0 HA PHE A 622 5.046 2.645 3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.746 -0.305 3.079 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.542 0.458 2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.559 2.960 1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.750 -0.615 1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.336 3.728 -0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.529 0.153 0.475 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.326 2.328 -0.662 1.00 0.00 H new ATOM 910 N THR A 623 2.721 1.474 3.602 1.00 0.00 N ATOM 911 CA THR A 623 1.360 1.183 4.036 1.00 0.00 C ATOM 912 C THR A 623 0.421 1.164 2.835 1.00 0.00 C ATOM 913 O THR A 623 0.798 1.585 1.741 1.00 0.00 O ATOM 914 CB THR A 623 0.854 2.221 5.054 1.00 0.00 C ATOM 915 OG1 THR A 623 1.614 3.431 4.942 1.00 0.00 O ATOM 916 CG2 THR A 623 0.951 1.682 6.474 1.00 0.00 C ATOM 0 H THR A 623 2.785 1.833 2.650 1.00 0.00 H new ATOM 0 HA THR A 623 1.373 0.205 4.517 1.00 0.00 H new ATOM 0 HB THR A 623 -0.193 2.430 4.834 1.00 0.00 H new ATOM 0 HG1 THR A 623 1.284 4.086 5.592 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.588 2.434 7.174 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.345 0.780 6.563 1.00 0.00 H new ATOM 0 HG23 THR A 623 1.990 1.445 6.703 1.00 0.00 H new ATOM 924 N VAL A 624 -0.799 0.678 3.034 1.00 0.00 N ATOM 925 CA VAL A 624 -1.770 0.620 1.946 1.00 0.00 C ATOM 926 C VAL A 624 -3.156 1.045 2.410 1.00 0.00 C ATOM 927 O VAL A 624 -3.496 0.926 3.587 1.00 0.00 O ATOM 928 CB VAL A 624 -1.859 -0.786 1.323 1.00 0.00 C ATOM 929 CG1 VAL A 624 -1.226 -0.790 -0.059 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.200 -1.822 2.219 1.00 0.00 C ATOM 0 H VAL A 624 -1.137 0.322 3.928 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.414 1.317 1.188 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.912 -1.051 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.296 -1.790 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.750 -0.082 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 624 -0.178 -0.501 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.277 -2.806 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.149 -1.567 2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -1.701 -1.837 3.187 1.00 0.00 H new ATOM 940 N LYS A 625 -3.948 1.549 1.470 1.00 0.00 N ATOM 941 CA LYS A 625 -5.298 2.005 1.766 1.00 0.00 C ATOM 942 C LYS A 625 -6.260 1.621 0.647 1.00 0.00 C ATOM 943 O LYS A 625 -5.868 1.529 -0.516 1.00 0.00 O ATOM 944 CB LYS A 625 -5.304 3.518 1.962 1.00 0.00 C ATOM 945 CG LYS A 625 -4.898 3.941 3.362 1.00 0.00 C ATOM 946 CD LYS A 625 -5.973 4.790 4.007 1.00 0.00 C ATOM 947 CE LYS A 625 -5.437 5.555 5.205 1.00 0.00 C ATOM 948 NZ LYS A 625 -5.332 7.014 4.930 1.00 0.00 N ATOM 0 H LYS A 625 -3.675 1.652 0.493 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.630 1.521 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.626 3.974 1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -6.302 3.902 1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.712 3.058 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -3.964 4.501 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.371 5.492 3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -6.800 4.154 4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -6.091 5.393 6.062 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -4.456 5.165 5.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -5.093 7.517 5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -4.588 7.181 4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -6.241 7.365 4.567 1.00 0.00 H new ATOM 962 N ALA A 626 -7.520 1.401 1.002 1.00 0.00 N ATOM 963 CA ALA A 626 -8.536 1.034 0.022 1.00 0.00 C ATOM 964 C ALA A 626 -9.456 2.214 -0.268 1.00 0.00 C ATOM 965 O ALA A 626 -9.870 2.928 0.646 1.00 0.00 O ATOM 966 CB ALA A 626 -9.340 -0.161 0.515 1.00 0.00 C ATOM 0 H ALA A 626 -7.863 1.470 1.960 1.00 0.00 H new ATOM 0 HA ALA A 626 -8.035 0.757 -0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -10.094 -0.423 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.673 -1.009 0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.829 0.093 1.456 1.00 0.00 H new ATOM 972 N LYS A 627 -9.767 2.419 -1.544 1.00 0.00 N ATOM 973 CA LYS A 627 -10.633 3.520 -1.951 1.00 0.00 C ATOM 974 C LYS A 627 -11.779 3.023 -2.827 1.00 0.00 C ATOM 975 O LYS A 627 -11.637 2.041 -3.555 1.00 0.00 O ATOM 976 CB LYS A 627 -9.826 4.579 -2.702 1.00 0.00 C ATOM 977 CG LYS A 627 -8.835 3.997 -3.699 1.00 0.00 C ATOM 978 CD LYS A 627 -8.007 5.086 -4.360 1.00 0.00 C ATOM 979 CE LYS A 627 -8.525 5.415 -5.750 1.00 0.00 C ATOM 980 NZ LYS A 627 -8.358 6.857 -6.077 1.00 0.00 N ATOM 0 H LYS A 627 -9.433 1.838 -2.313 1.00 0.00 H new ATOM 0 HA LYS A 627 -11.057 3.964 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.513 5.241 -3.230 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -9.285 5.191 -1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -8.175 3.295 -3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -9.373 3.434 -4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -8.025 5.984 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -6.967 4.765 -4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -7.995 4.812 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -9.579 5.147 -5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -8.723 7.041 -7.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -8.884 7.432 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -7.349 7.107 -6.038 1.00 0.00 H new ATOM 994 N ASP A 628 -12.913 3.713 -2.752 1.00 0.00 N ATOM 995 CA ASP A 628 -14.086 3.350 -3.538 1.00 0.00 C ATOM 996 C ASP A 628 -14.305 4.349 -4.671 1.00 0.00 C ATOM 997 O ASP A 628 -13.696 5.418 -4.695 1.00 0.00 O ATOM 998 CB ASP A 628 -15.328 3.293 -2.645 1.00 0.00 C ATOM 999 CG ASP A 628 -15.405 2.011 -1.841 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -14.350 1.551 -1.355 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -16.520 1.467 -1.696 1.00 0.00 O ATOM 0 H ASP A 628 -13.044 4.528 -2.153 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.915 2.364 -3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.322 4.145 -1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -16.221 3.385 -3.263 1.00 0.00 H new ATOM 1006 N ALA A 629 -15.177 3.993 -5.610 1.00 0.00 N ATOM 1007 CA ALA A 629 -15.473 4.859 -6.746 1.00 0.00 C ATOM 1008 C ALA A 629 -16.424 5.983 -6.348 1.00 0.00 C ATOM 1009 O ALA A 629 -16.666 6.908 -7.123 1.00 0.00 O ATOM 1010 CB ALA A 629 -16.064 4.048 -7.888 1.00 0.00 C ATOM 0 H ALA A 629 -15.690 3.112 -5.606 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.538 5.310 -7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -16.280 4.707 -8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -15.351 3.285 -8.199 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.986 3.570 -7.556 1.00 0.00 H new ATOM 1016 N ALA A 630 -16.963 5.895 -5.135 1.00 0.00 N ATOM 1017 CA ALA A 630 -17.889 6.903 -4.635 1.00 0.00 C ATOM 1018 C ALA A 630 -17.154 7.988 -3.853 1.00 0.00 C ATOM 1019 O ALA A 630 -17.731 9.020 -3.513 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.956 6.252 -3.766 1.00 0.00 C ATOM 0 H ALA A 630 -16.774 5.135 -4.481 1.00 0.00 H new ATOM 0 HA ALA A 630 -18.370 7.375 -5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.642 7.016 -3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -19.509 5.521 -4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.482 5.753 -2.921 1.00 0.00 H new ATOM 1026 N GLY A 631 -15.875 7.748 -3.577 1.00 0.00 N ATOM 1027 CA GLY A 631 -15.078 8.715 -2.843 1.00 0.00 C ATOM 1028 C GLY A 631 -14.987 8.396 -1.363 1.00 0.00 C ATOM 1029 O GLY A 631 -15.298 9.237 -0.521 1.00 0.00 O ATOM 0 H GLY A 631 -15.376 6.901 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -14.074 8.748 -3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -15.510 9.708 -2.971 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.555 7.178 -1.045 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.422 6.751 0.344 1.00 0.00 C ATOM 1035 C ASN A 632 -13.130 5.967 0.553 1.00 0.00 C ATOM 1036 O ASN A 632 -12.818 5.053 -0.209 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.621 5.895 0.757 1.00 0.00 C ATOM 1038 CG ASN A 632 -16.919 6.381 0.143 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -17.712 7.059 0.796 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -17.142 6.034 -1.118 1.00 0.00 N ATOM 0 H ASN A 632 -14.291 6.470 -1.731 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.390 7.644 0.968 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.446 4.862 0.458 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.711 5.902 1.843 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -17.999 6.331 -1.585 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -16.456 5.471 -1.621 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.383 6.329 1.592 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.126 5.659 1.902 1.00 0.00 C ATOM 1049 C VAL A 633 -11.103 5.167 3.346 1.00 0.00 C ATOM 1050 O VAL A 633 -11.444 5.905 4.270 1.00 0.00 O ATOM 1051 CB VAL A 633 -9.919 6.592 1.666 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -8.671 6.051 2.345 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -9.672 6.782 0.177 1.00 0.00 C ATOM 0 H VAL A 633 -12.627 7.083 2.233 1.00 0.00 H new ATOM 0 HA VAL A 633 -11.051 4.803 1.231 1.00 0.00 H new ATOM 0 HB VAL A 633 -10.153 7.561 2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -7.836 6.727 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -8.846 5.971 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -8.435 5.066 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -8.817 7.443 0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -9.467 5.816 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -10.555 7.224 -0.285 1.00 0.00 H new ATOM 1063 N SER A 634 -10.693 3.916 3.531 1.00 0.00 N ATOM 1064 CA SER A 634 -10.616 3.323 4.861 1.00 0.00 C ATOM 1065 C SER A 634 -9.352 3.784 5.582 1.00 0.00 C ATOM 1066 O SER A 634 -8.784 4.825 5.250 1.00 0.00 O ATOM 1067 CB SER A 634 -10.637 1.797 4.765 1.00 0.00 C ATOM 1068 OG SER A 634 -11.425 1.233 5.799 1.00 0.00 O ATOM 0 H SER A 634 -10.409 3.293 2.775 1.00 0.00 H new ATOM 0 HA SER A 634 -11.483 3.652 5.433 1.00 0.00 H new ATOM 0 HB2 SER A 634 -11.034 1.496 3.795 1.00 0.00 H new ATOM 0 HB3 SER A 634 -9.619 1.411 4.827 1.00 0.00 H new ATOM 0 HG SER A 634 -12.371 1.264 5.543 1.00 0.00 H new ATOM 1074 N ALA A 635 -8.914 3.005 6.566 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.716 3.337 7.326 1.00 0.00 C ATOM 1076 C ALA A 635 -6.474 2.744 6.669 1.00 0.00 C ATOM 1077 O ALA A 635 -6.569 2.042 5.662 1.00 0.00 O ATOM 1078 CB ALA A 635 -7.847 2.845 8.760 1.00 0.00 C ATOM 0 H ALA A 635 -9.371 2.140 6.855 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.608 4.422 7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -6.945 3.100 9.316 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -8.709 3.319 9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -7.981 1.763 8.763 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.310 3.029 7.243 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.053 2.521 6.708 1.00 0.00 C ATOM 1086 C ALA A 636 -3.749 1.131 7.257 1.00 0.00 C ATOM 1087 O ALA A 636 -4.037 0.836 8.417 1.00 0.00 O ATOM 1088 CB ALA A 636 -2.915 3.479 7.024 1.00 0.00 C ATOM 0 H ALA A 636 -5.211 3.608 8.077 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.152 2.443 5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -1.984 3.084 6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.123 4.451 6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -2.821 3.589 8.104 1.00 0.00 H new ATOM 1094 N SER A 637 -3.170 0.282 6.417 1.00 0.00 N ATOM 1095 CA SER A 637 -2.829 -1.080 6.816 1.00 0.00 C ATOM 1096 C SER A 637 -1.626 -1.089 7.753 1.00 0.00 C ATOM 1097 O SER A 637 -1.182 -0.040 8.221 1.00 0.00 O ATOM 1098 CB SER A 637 -2.534 -1.934 5.582 1.00 0.00 C ATOM 1099 OG SER A 637 -1.150 -1.922 5.272 1.00 0.00 O ATOM 0 H SER A 637 -2.926 0.512 5.454 1.00 0.00 H new ATOM 0 HA SER A 637 -3.683 -1.501 7.347 1.00 0.00 H new ATOM 0 HB2 SER A 637 -2.862 -2.959 5.758 1.00 0.00 H new ATOM 0 HB3 SER A 637 -3.104 -1.559 4.732 1.00 0.00 H new ATOM 0 HG SER A 637 -0.735 -2.749 5.596 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.099 -2.281 8.020 1.00 0.00 N ATOM 1106 CA ASN A 638 0.056 -2.429 8.898 1.00 0.00 C ATOM 1107 C ASN A 638 1.254 -1.669 8.342 1.00 0.00 C ATOM 1108 O ASN A 638 1.423 -1.563 7.127 1.00 0.00 O ATOM 1109 CB ASN A 638 0.407 -3.907 9.071 1.00 0.00 C ATOM 1110 CG ASN A 638 0.709 -4.266 10.513 1.00 0.00 C ATOM 1111 OD1 ASN A 638 -0.160 -4.748 11.240 1.00 0.00 O ATOM 1112 ND2 ASN A 638 1.947 -4.031 10.935 1.00 0.00 N ATOM 0 H ASN A 638 -1.454 -3.158 7.640 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.199 -2.011 9.872 1.00 0.00 H new ATOM 0 HB2 ASN A 638 -0.422 -4.518 8.713 1.00 0.00 H new ATOM 0 HB3 ASN A 638 1.271 -4.147 8.451 1.00 0.00 H new ATOM 0 HD21 ASN A 638 2.209 -4.251 11.896 1.00 0.00 H new ATOM 0 HD22 ASN A 638 2.635 -3.630 10.298 1.00 0.00 H new ATOM 1119 N ALA A 639 2.082 -1.141 9.236 1.00 0.00 N ATOM 1120 CA ALA A 639 3.261 -0.387 8.830 1.00 0.00 C ATOM 1121 C ALA A 639 4.404 -1.318 8.439 1.00 0.00 C ATOM 1122 O ALA A 639 4.697 -2.287 9.140 1.00 0.00 O ATOM 1123 CB ALA A 639 3.697 0.547 9.947 1.00 0.00 C ATOM 0 H ALA A 639 1.959 -1.221 10.245 1.00 0.00 H new ATOM 0 HA ALA A 639 2.998 0.207 7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.579 1.105 9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 639 2.890 1.243 10.175 1.00 0.00 H new ATOM 0 HB3 ALA A 639 3.936 -0.036 10.837 1.00 0.00 H new ATOM 1129 N VAL A 640 5.046 -1.015 7.315 1.00 0.00 N ATOM 1130 CA VAL A 640 6.160 -1.819 6.828 1.00 0.00 C ATOM 1131 C VAL A 640 7.493 -1.173 7.182 1.00 0.00 C ATOM 1132 O VAL A 640 7.577 0.045 7.345 1.00 0.00 O ATOM 1133 CB VAL A 640 6.082 -2.026 5.297 1.00 0.00 C ATOM 1134 CG1 VAL A 640 7.220 -1.311 4.578 1.00 0.00 C ATOM 1135 CG2 VAL A 640 6.097 -3.504 4.960 1.00 0.00 C ATOM 0 H VAL A 640 4.813 -0.217 6.724 1.00 0.00 H new ATOM 0 HA VAL A 640 6.090 -2.791 7.316 1.00 0.00 H new ATOM 0 HB VAL A 640 5.143 -1.593 4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 640 7.134 -1.478 3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 640 7.166 -0.242 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 640 8.175 -1.701 4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 640 6.041 -3.631 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 640 7.018 -3.953 5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 640 5.242 -3.992 5.427 1.00 0.00 H new ATOM 1145 N SER A 641 8.532 -1.994 7.282 1.00 0.00 N ATOM 1146 CA SER A 641 9.861 -1.498 7.601 1.00 0.00 C ATOM 1147 C SER A 641 10.924 -2.239 6.795 1.00 0.00 C ATOM 1148 O SER A 641 11.557 -3.172 7.290 1.00 0.00 O ATOM 1149 CB SER A 641 10.140 -1.636 9.099 1.00 0.00 C ATOM 1150 OG SER A 641 9.328 -2.641 9.680 1.00 0.00 O ATOM 0 H SER A 641 8.478 -3.004 7.147 1.00 0.00 H new ATOM 0 HA SER A 641 9.901 -0.442 7.334 1.00 0.00 H new ATOM 0 HB2 SER A 641 11.191 -1.878 9.255 1.00 0.00 H new ATOM 0 HB3 SER A 641 9.955 -0.683 9.595 1.00 0.00 H new ATOM 0 HG SER A 641 9.527 -2.710 10.637 1.00 0.00 H new ATOM 1156 N VAL A 642 11.115 -1.813 5.549 1.00 0.00 N ATOM 1157 CA VAL A 642 12.100 -2.432 4.669 1.00 0.00 C ATOM 1158 C VAL A 642 13.381 -1.603 4.617 1.00 0.00 C ATOM 1159 O VAL A 642 13.336 -0.384 4.442 1.00 0.00 O ATOM 1160 CB VAL A 642 11.546 -2.608 3.240 1.00 0.00 C ATOM 1161 CG1 VAL A 642 10.978 -1.297 2.717 1.00 0.00 C ATOM 1162 CG2 VAL A 642 12.622 -3.142 2.305 1.00 0.00 C ATOM 0 H VAL A 642 10.600 -1.041 5.126 1.00 0.00 H new ATOM 0 HA VAL A 642 12.325 -3.416 5.081 1.00 0.00 H new ATOM 0 HB VAL A 642 10.737 -3.338 3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 642 10.593 -1.444 1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 642 10.170 -0.965 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 642 11.764 -0.542 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.209 -3.258 1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 642 13.457 -2.442 2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.972 -4.109 2.667 1.00 0.00 H new ATOM 1172 N LYS A 643 14.519 -2.270 4.771 1.00 0.00 N ATOM 1173 CA LYS A 643 15.811 -1.595 4.744 1.00 0.00 C ATOM 1174 C LYS A 643 16.544 -1.866 3.434 1.00 0.00 C ATOM 1175 O LYS A 643 16.967 -2.991 3.169 1.00 0.00 O ATOM 1176 CB LYS A 643 16.670 -2.051 5.925 1.00 0.00 C ATOM 1177 CG LYS A 643 16.975 -0.943 6.919 1.00 0.00 C ATOM 1178 CD LYS A 643 17.390 -1.507 8.268 1.00 0.00 C ATOM 1179 CE LYS A 643 18.889 -1.755 8.329 1.00 0.00 C ATOM 1180 NZ LYS A 643 19.259 -2.647 9.461 1.00 0.00 N ATOM 0 H LYS A 643 14.573 -3.278 4.916 1.00 0.00 H new ATOM 0 HA LYS A 643 15.633 -0.522 4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 643 16.159 -2.862 6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 643 17.608 -2.456 5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 643 17.771 -0.310 6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 643 16.096 -0.311 7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 643 17.102 -0.813 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 643 16.858 -2.440 8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 643 19.221 -2.201 7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 643 19.410 -0.803 8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 20.289 -2.791 9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 18.965 -2.210 10.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 18.782 -3.564 9.350 1.00 0.00 H new ATOM 1194 N THR A 644 16.690 -0.825 2.619 1.00 0.00 N ATOM 1195 CA THR A 644 17.372 -0.948 1.336 1.00 0.00 C ATOM 1196 C THR A 644 18.887 -0.925 1.511 1.00 0.00 C ATOM 1197 O THR A 644 19.351 -0.498 2.589 1.00 0.00 O ATOM 1198 CB THR A 644 16.964 0.183 0.376 1.00 0.00 C ATOM 1199 OG1 THR A 644 17.094 1.452 1.030 1.00 0.00 O ATOM 1200 CG2 THR A 644 15.531 -0.003 -0.102 1.00 0.00 C ATOM 1201 OXT THR A 644 19.597 -1.336 0.568 1.00 0.00 O ATOM 0 H THR A 644 16.345 0.113 2.825 1.00 0.00 H new ATOM 0 HA THR A 644 17.073 -1.906 0.911 1.00 0.00 H new ATOM 0 HB THR A 644 17.626 0.151 -0.490 1.00 0.00 H new ATOM 0 HG1 THR A 644 17.353 2.133 0.374 1.00 0.00 H new ATOM 0 HG21 THR A 644 15.265 0.809 -0.779 1.00 0.00 H new ATOM 0 HG22 THR A 644 15.442 -0.956 -0.624 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.858 0.005 0.755 1.00 0.00 H new TER 1209 THR A 644