USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 579 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 106:sc= 0.356 USER MOD Set 1.2: A 620 TYR OH : rot 130:sc= 0.00492 USER MOD Set 2.1: A 583 SER OG : rot -109:sc= 0.854 USER MOD Set 2.2: A 592 TYR OH : rot 15:sc= 0.0269 USER MOD Set 3.1: A 572 THR OG1 : rot -114:sc= 0.551 USER MOD Set 3.2: A 574 SER OG : rot 180:sc= -0.042 USER MOD Set 3.3: A 575 SER OG : rot 180:sc= 0.0856 USER MOD Set 4.1: A 561 THR OG1 : rot 160:sc= 0.0107 USER MOD Set 4.2: A 584 THR OG1 : rot 180:sc= 0.067 USER MOD Single : A 564 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 565 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 568 SER OG : rot 160:sc= 0 USER MOD Single : A 569 THR OG1 : rot 180:sc= 0.217 USER MOD Single : A 571 GLN :FLIP amide:sc= -0.187 F(o=-0.75,f=-0.19) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 577 THR OG1 : rot 66:sc= -0.0683 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 93:sc= 0.209 USER MOD Single : A 586 ASN : amide:sc=-0.00396 K(o=-0.004,f=-0.72) USER MOD Single : A 590 THR OG1 : rot -20:sc= 0.435 USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN : amide:sc= -0.469 K(o=-0.47,f=-1.5!) USER MOD Single : A 598 THR OG1 : rot 5:sc= 0.626 USER MOD Single : A 602 THR OG1 : rot 180:sc= -0.188 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= -0.721 USER MOD Single : A 621 THR OG1 : rot 50:sc= 0.00905 USER MOD Single : A 623 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 625 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 627 LYS NZ :NH3+ -114:sc= -2.12 (180deg=-3.87!) USER MOD Single : A 632 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.3!) USER MOD Single : A 634 SER OG : rot 101:sc= 1.19 USER MOD Single : A 637 SER OG : rot 100:sc= 0 USER MOD Single : A 638 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.008) 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 129:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 38 N ALA A 559 -16.953 4.311 3.292 1.00 0.00 N ATOM 39 CA ALA A 559 -15.620 3.925 2.842 1.00 0.00 C ATOM 40 C ALA A 559 -15.447 2.409 2.883 1.00 0.00 C ATOM 41 O ALA A 559 -16.118 1.723 3.655 1.00 0.00 O ATOM 42 CB ALA A 559 -14.558 4.604 3.694 1.00 0.00 C ATOM 0 HA ALA A 559 -15.502 4.251 1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -13.568 4.307 3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -14.662 5.686 3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -14.682 4.306 4.735 1.00 0.00 H new ATOM 48 N PRO A 560 -14.541 1.860 2.051 1.00 0.00 N ATOM 49 CA PRO A 560 -14.288 0.415 2.002 1.00 0.00 C ATOM 50 C PRO A 560 -13.625 -0.104 3.275 1.00 0.00 C ATOM 51 O PRO A 560 -13.801 0.465 4.352 1.00 0.00 O ATOM 52 CB PRO A 560 -13.350 0.258 0.804 1.00 0.00 C ATOM 53 CG PRO A 560 -12.678 1.578 0.672 1.00 0.00 C ATOM 54 CD PRO A 560 -13.695 2.600 1.096 1.00 0.00 C ATOM 0 HA PRO A 560 -15.212 -0.157 1.913 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.626 -0.540 0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -13.903 0.003 -0.100 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -11.788 1.628 1.300 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.354 1.751 -0.354 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.225 3.466 1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.273 2.968 0.248 1.00 0.00 H new ATOM 62 N THR A 561 -12.865 -1.189 3.145 1.00 0.00 N ATOM 63 CA THR A 561 -12.181 -1.783 4.289 1.00 0.00 C ATOM 64 C THR A 561 -10.669 -1.613 4.183 1.00 0.00 C ATOM 65 O THR A 561 -10.070 -1.899 3.147 1.00 0.00 O ATOM 66 CB THR A 561 -12.510 -3.281 4.426 1.00 0.00 C ATOM 67 OG1 THR A 561 -13.914 -3.495 4.229 1.00 0.00 O ATOM 68 CG2 THR A 561 -12.102 -3.799 5.797 1.00 0.00 C ATOM 0 H THR A 561 -12.708 -1.673 2.261 1.00 0.00 H new ATOM 0 HA THR A 561 -12.539 -1.257 5.174 1.00 0.00 H new ATOM 0 HB THR A 561 -11.950 -3.825 3.666 1.00 0.00 H new ATOM 0 HG1 THR A 561 -14.073 -4.434 3.998 1.00 0.00 H new ATOM 0 HG21 THR A 561 -12.344 -4.859 5.872 1.00 0.00 H new ATOM 0 HG22 THR A 561 -11.030 -3.661 5.934 1.00 0.00 H new ATOM 0 HG23 THR A 561 -12.640 -3.249 6.569 1.00 0.00 H new ATOM 76 N ALA A 562 -10.061 -1.146 5.271 1.00 0.00 N ATOM 77 CA ALA A 562 -8.619 -0.933 5.322 1.00 0.00 C ATOM 78 C ALA A 562 -7.855 -2.231 5.068 1.00 0.00 C ATOM 79 O ALA A 562 -8.141 -3.255 5.691 1.00 0.00 O ATOM 80 CB ALA A 562 -8.232 -0.360 6.676 1.00 0.00 C ATOM 0 H ALA A 562 -10.550 -0.907 6.134 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.352 -0.227 4.536 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.154 -0.202 6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -8.743 0.591 6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.522 -1.057 7.462 1.00 0.00 H new ATOM 86 N PRO A 563 -6.863 -2.205 4.156 1.00 0.00 N ATOM 87 CA PRO A 563 -6.049 -3.383 3.835 1.00 0.00 C ATOM 88 C PRO A 563 -5.588 -4.113 5.092 1.00 0.00 C ATOM 89 O PRO A 563 -5.341 -3.490 6.125 1.00 0.00 O ATOM 90 CB PRO A 563 -4.855 -2.787 3.092 1.00 0.00 C ATOM 91 CG PRO A 563 -5.388 -1.553 2.451 1.00 0.00 C ATOM 92 CD PRO A 563 -6.453 -1.021 3.375 1.00 0.00 C ATOM 0 HA PRO A 563 -6.599 -4.125 3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.038 -2.557 3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.463 -3.482 2.349 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.597 -0.818 2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -5.802 -1.774 1.467 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.066 -0.231 4.019 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.290 -0.598 2.820 1.00 0.00 H new ATOM 100 N THR A 564 -5.485 -5.435 5.007 1.00 0.00 N ATOM 101 CA THR A 564 -5.067 -6.237 6.150 1.00 0.00 C ATOM 102 C THR A 564 -3.794 -7.023 5.861 1.00 0.00 C ATOM 103 O THR A 564 -3.644 -7.615 4.794 1.00 0.00 O ATOM 104 CB THR A 564 -6.172 -7.223 6.570 1.00 0.00 C ATOM 105 OG1 THR A 564 -6.375 -8.200 5.542 1.00 0.00 O ATOM 106 CG2 THR A 564 -7.476 -6.489 6.843 1.00 0.00 C ATOM 0 H THR A 564 -5.684 -5.971 4.163 1.00 0.00 H new ATOM 0 HA THR A 564 -4.871 -5.536 6.961 1.00 0.00 H new ATOM 0 HB THR A 564 -5.854 -7.721 7.486 1.00 0.00 H new ATOM 0 HG1 THR A 564 -7.078 -8.824 5.818 1.00 0.00 H new ATOM 0 HG21 THR A 564 -8.242 -7.206 7.138 1.00 0.00 H new ATOM 0 HG22 THR A 564 -7.326 -5.767 7.646 1.00 0.00 H new ATOM 0 HG23 THR A 564 -7.796 -5.967 5.941 1.00 0.00 H new ATOM 114 N ASN A 565 -2.889 -7.035 6.836 1.00 0.00 N ATOM 115 CA ASN A 565 -1.628 -7.760 6.717 1.00 0.00 C ATOM 116 C ASN A 565 -0.847 -7.350 5.471 1.00 0.00 C ATOM 117 O ASN A 565 -1.051 -7.902 4.390 1.00 0.00 O ATOM 118 CB ASN A 565 -1.891 -9.266 6.688 1.00 0.00 C ATOM 119 CG ASN A 565 -1.601 -9.933 8.019 1.00 0.00 C ATOM 120 OD1 ASN A 565 -0.857 -10.911 8.087 1.00 0.00 O ATOM 121 ND2 ASN A 565 -2.189 -9.405 9.087 1.00 0.00 N ATOM 0 H ASN A 565 -3.008 -6.547 7.724 1.00 0.00 H new ATOM 0 HA ASN A 565 -1.022 -7.506 7.587 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -2.931 -9.445 6.415 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -1.275 -9.724 5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -2.031 -9.811 10.009 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -2.799 -8.594 8.985 1.00 0.00 H new ATOM 128 N LEU A 566 0.065 -6.395 5.633 1.00 0.00 N ATOM 129 CA LEU A 566 0.891 -5.937 4.523 1.00 0.00 C ATOM 130 C LEU A 566 2.166 -6.773 4.449 1.00 0.00 C ATOM 131 O LEU A 566 2.548 -7.418 5.425 1.00 0.00 O ATOM 132 CB LEU A 566 1.236 -4.453 4.678 1.00 0.00 C ATOM 133 CG LEU A 566 2.256 -3.910 3.669 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.712 -4.003 2.251 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.624 -2.477 4.004 1.00 0.00 C ATOM 0 H LEU A 566 0.249 -5.926 6.520 1.00 0.00 H new ATOM 0 HA LEU A 566 0.329 -6.059 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 566 0.318 -3.872 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.622 -4.289 5.684 1.00 0.00 H new ATOM 0 HG LEU A 566 3.156 -4.521 3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.451 -3.613 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.499 -5.045 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.795 -3.418 2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 566 3.348 -2.108 3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.730 -1.855 3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 566 3.059 -2.437 5.003 1.00 0.00 H new ATOM 147 N ALA A 567 2.818 -6.764 3.292 1.00 0.00 N ATOM 148 CA ALA A 567 4.043 -7.532 3.113 1.00 0.00 C ATOM 149 C ALA A 567 4.856 -7.027 1.927 1.00 0.00 C ATOM 150 O ALA A 567 4.449 -6.097 1.229 1.00 0.00 O ATOM 151 CB ALA A 567 3.718 -9.008 2.937 1.00 0.00 C ATOM 0 H ALA A 567 2.521 -6.238 2.470 1.00 0.00 H new ATOM 0 HA ALA A 567 4.649 -7.402 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 567 4.642 -9.571 2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.195 -9.373 3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.084 -9.139 2.060 1.00 0.00 H new ATOM 157 N SER A 568 6.006 -7.655 1.705 1.00 0.00 N ATOM 158 CA SER A 568 6.888 -7.289 0.605 1.00 0.00 C ATOM 159 C SER A 568 7.564 -8.530 0.029 1.00 0.00 C ATOM 160 O SER A 568 7.804 -9.502 0.745 1.00 0.00 O ATOM 161 CB SER A 568 7.942 -6.285 1.079 1.00 0.00 C ATOM 162 OG SER A 568 9.234 -6.868 1.097 1.00 0.00 O ATOM 0 H SER A 568 6.350 -8.426 2.278 1.00 0.00 H new ATOM 0 HA SER A 568 6.289 -6.824 -0.178 1.00 0.00 H new ATOM 0 HB2 SER A 568 7.942 -5.416 0.421 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.687 -5.930 2.077 1.00 0.00 H new ATOM 0 HG SER A 568 9.912 -6.161 1.085 1.00 0.00 H new ATOM 168 N THR A 569 7.861 -8.496 -1.265 1.00 0.00 N ATOM 169 CA THR A 569 8.501 -9.626 -1.926 1.00 0.00 C ATOM 170 C THR A 569 9.790 -9.209 -2.630 1.00 0.00 C ATOM 171 O THR A 569 10.880 -9.335 -2.074 1.00 0.00 O ATOM 172 CB THR A 569 7.556 -10.282 -2.951 1.00 0.00 C ATOM 173 OG1 THR A 569 6.854 -9.273 -3.688 1.00 0.00 O ATOM 174 CG2 THR A 569 6.555 -11.195 -2.259 1.00 0.00 C ATOM 0 H THR A 569 7.670 -7.701 -1.875 1.00 0.00 H new ATOM 0 HA THR A 569 8.742 -10.348 -1.146 1.00 0.00 H new ATOM 0 HB THR A 569 8.159 -10.880 -3.635 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.257 -9.699 -4.338 1.00 0.00 H new ATOM 0 HG21 THR A 569 5.899 -11.646 -3.003 1.00 0.00 H new ATOM 0 HG22 THR A 569 7.089 -11.979 -1.722 1.00 0.00 H new ATOM 0 HG23 THR A 569 5.959 -10.614 -1.555 1.00 0.00 H new ATOM 182 N ALA A 570 9.655 -8.717 -3.857 1.00 0.00 N ATOM 183 CA ALA A 570 10.807 -8.289 -4.642 1.00 0.00 C ATOM 184 C ALA A 570 11.211 -6.858 -4.304 1.00 0.00 C ATOM 185 O ALA A 570 10.480 -5.913 -4.598 1.00 0.00 O ATOM 186 CB ALA A 570 10.499 -8.411 -6.125 1.00 0.00 C ATOM 0 H ALA A 570 8.758 -8.605 -4.330 1.00 0.00 H new ATOM 0 HA ALA A 570 11.645 -8.940 -4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.365 -8.089 -6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.268 -9.449 -6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.643 -7.782 -6.372 1.00 0.00 H new ATOM 192 N GLN A 571 12.381 -6.706 -3.692 1.00 0.00 N ATOM 193 CA GLN A 571 12.882 -5.386 -3.322 1.00 0.00 C ATOM 194 C GLN A 571 14.354 -5.239 -3.693 1.00 0.00 C ATOM 195 O GLN A 571 15.217 -5.916 -3.135 1.00 0.00 O ATOM 196 CB GLN A 571 12.690 -5.142 -1.822 1.00 0.00 C ATOM 197 CG GLN A 571 13.401 -3.900 -1.309 1.00 0.00 C ATOM 198 CD GLN A 571 13.870 -4.046 0.124 1.00 0.00 C ATOM 199 OE1 GLN A 571 12.923 -4.171 1.047 1.00 0.00 O flip ATOM 200 NE2 GLN A 571 15.070 -4.047 0.401 1.00 0.00 N flip ATOM 0 H GLN A 571 12.999 -7.478 -3.442 1.00 0.00 H new ATOM 0 HA GLN A 571 12.312 -4.641 -3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 571 11.624 -5.053 -1.611 1.00 0.00 H new ATOM 0 HB3 GLN A 571 13.053 -6.011 -1.272 1.00 0.00 H new ATOM 0 HG2 GLN A 571 14.258 -3.687 -1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 571 12.729 -3.045 -1.382 1.00 0.00 H new ATOM 0 HE21 GLN A 571 15.764 -3.948 -0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 571 15.369 -4.147 1.371 1.00 0.00 H new ATOM 209 N THR A 572 14.630 -4.346 -4.639 1.00 0.00 N ATOM 210 CA THR A 572 15.995 -4.100 -5.089 1.00 0.00 C ATOM 211 C THR A 572 16.528 -2.791 -4.514 1.00 0.00 C ATOM 212 O THR A 572 15.946 -2.229 -3.586 1.00 0.00 O ATOM 213 CB THR A 572 16.078 -4.048 -6.627 1.00 0.00 C ATOM 214 OG1 THR A 572 15.481 -2.839 -7.110 1.00 0.00 O ATOM 215 CG2 THR A 572 15.379 -5.247 -7.250 1.00 0.00 C ATOM 0 H THR A 572 13.924 -3.780 -5.109 1.00 0.00 H new ATOM 0 HA THR A 572 16.606 -4.929 -4.731 1.00 0.00 H new ATOM 0 HB THR A 572 17.130 -4.073 -6.911 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.678 -3.055 -7.629 1.00 0.00 H new ATOM 0 HG21 THR A 572 15.452 -5.187 -8.336 1.00 0.00 H new ATOM 0 HG22 THR A 572 15.854 -6.165 -6.905 1.00 0.00 H new ATOM 0 HG23 THR A 572 14.329 -5.249 -6.956 1.00 0.00 H new ATOM 223 N THR A 573 17.634 -2.309 -5.071 1.00 0.00 N ATOM 224 CA THR A 573 18.239 -1.065 -4.610 1.00 0.00 C ATOM 225 C THR A 573 17.701 0.131 -5.389 1.00 0.00 C ATOM 226 O THR A 573 18.397 1.131 -5.571 1.00 0.00 O ATOM 227 CB THR A 573 19.773 -1.103 -4.745 1.00 0.00 C ATOM 228 OG1 THR A 573 20.149 -1.947 -5.839 1.00 0.00 O ATOM 229 CG2 THR A 573 20.416 -1.610 -3.463 1.00 0.00 C ATOM 0 H THR A 573 18.129 -2.760 -5.841 1.00 0.00 H new ATOM 0 HA THR A 573 17.976 -0.957 -3.558 1.00 0.00 H new ATOM 0 HB THR A 573 20.124 -0.088 -4.933 1.00 0.00 H new ATOM 0 HG1 THR A 573 21.126 -1.964 -5.918 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.499 -1.628 -3.582 1.00 0.00 H new ATOM 0 HG22 THR A 573 20.153 -0.949 -2.638 1.00 0.00 H new ATOM 0 HG23 THR A 573 20.057 -2.617 -3.250 1.00 0.00 H new ATOM 237 N SER A 574 16.456 0.025 -5.845 1.00 0.00 N ATOM 238 CA SER A 574 15.825 1.100 -6.602 1.00 0.00 C ATOM 239 C SER A 574 14.308 0.932 -6.631 1.00 0.00 C ATOM 240 O SER A 574 13.566 1.909 -6.529 1.00 0.00 O ATOM 241 CB SER A 574 16.375 1.138 -8.030 1.00 0.00 C ATOM 242 OG SER A 574 15.709 0.203 -8.860 1.00 0.00 O ATOM 0 H SER A 574 15.865 -0.794 -5.703 1.00 0.00 H new ATOM 0 HA SER A 574 16.056 2.043 -6.106 1.00 0.00 H new ATOM 0 HB2 SER A 574 16.258 2.141 -8.441 1.00 0.00 H new ATOM 0 HB3 SER A 574 17.443 0.921 -8.017 1.00 0.00 H new ATOM 0 HG SER A 574 16.078 0.249 -9.767 1.00 0.00 H new ATOM 248 N SER A 575 13.853 -0.309 -6.771 1.00 0.00 N ATOM 249 CA SER A 575 12.424 -0.599 -6.811 1.00 0.00 C ATOM 250 C SER A 575 12.022 -1.521 -5.664 1.00 0.00 C ATOM 251 O SER A 575 12.877 -2.043 -4.947 1.00 0.00 O ATOM 252 CB SER A 575 12.043 -1.235 -8.150 1.00 0.00 C ATOM 253 OG SER A 575 13.163 -1.857 -8.758 1.00 0.00 O ATOM 0 H SER A 575 14.453 -1.129 -6.859 1.00 0.00 H new ATOM 0 HA SER A 575 11.888 0.344 -6.701 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.254 -1.971 -7.995 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.641 -0.472 -8.817 1.00 0.00 H new ATOM 0 HG SER A 575 12.892 -2.257 -9.611 1.00 0.00 H new ATOM 259 N ILE A 576 10.718 -1.719 -5.497 1.00 0.00 N ATOM 260 CA ILE A 576 10.205 -2.580 -4.436 1.00 0.00 C ATOM 261 C ILE A 576 8.785 -3.046 -4.743 1.00 0.00 C ATOM 262 O ILE A 576 8.023 -2.354 -5.419 1.00 0.00 O ATOM 263 CB ILE A 576 10.221 -1.866 -3.068 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.904 -2.858 -1.946 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.232 -0.707 -3.054 1.00 0.00 C ATOM 266 CD1 ILE A 576 10.090 -2.281 -0.560 1.00 0.00 C ATOM 0 H ILE A 576 9.998 -1.296 -6.082 1.00 0.00 H new ATOM 0 HA ILE A 576 10.865 -3.446 -4.388 1.00 0.00 H new ATOM 0 HB ILE A 576 11.220 -1.463 -2.902 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.874 -3.199 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.543 -3.734 -2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 576 9.259 -0.217 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.501 0.011 -3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.227 -1.084 -3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.848 -3.039 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 576 11.126 -1.965 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.431 -1.422 -0.432 1.00 0.00 H new ATOM 278 N THR A 577 8.436 -4.224 -4.235 1.00 0.00 N ATOM 279 CA THR A 577 7.111 -4.790 -4.444 1.00 0.00 C ATOM 280 C THR A 577 6.396 -4.998 -3.115 1.00 0.00 C ATOM 281 O THR A 577 6.976 -5.519 -2.162 1.00 0.00 O ATOM 282 CB THR A 577 7.188 -6.135 -5.194 1.00 0.00 C ATOM 283 OG1 THR A 577 8.070 -6.019 -6.316 1.00 0.00 O ATOM 284 CG2 THR A 577 5.809 -6.569 -5.670 1.00 0.00 C ATOM 0 H THR A 577 9.057 -4.806 -3.673 1.00 0.00 H new ATOM 0 HA THR A 577 6.549 -4.080 -5.051 1.00 0.00 H new ATOM 0 HB THR A 577 7.571 -6.889 -4.506 1.00 0.00 H new ATOM 0 HG1 THR A 577 8.984 -5.865 -5.999 1.00 0.00 H new ATOM 0 HG21 THR A 577 5.888 -7.520 -6.196 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.147 -6.683 -4.812 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.402 -5.815 -6.344 1.00 0.00 H new ATOM 292 N LEU A 578 5.136 -4.584 -3.056 1.00 0.00 N ATOM 293 CA LEU A 578 4.343 -4.719 -1.841 1.00 0.00 C ATOM 294 C LEU A 578 3.086 -5.542 -2.097 1.00 0.00 C ATOM 295 O LEU A 578 2.356 -5.293 -3.054 1.00 0.00 O ATOM 296 CB LEU A 578 3.959 -3.337 -1.307 1.00 0.00 C ATOM 297 CG LEU A 578 4.416 -3.022 0.122 1.00 0.00 C ATOM 298 CD1 LEU A 578 5.830 -3.525 0.374 1.00 0.00 C ATOM 299 CD2 LEU A 578 4.334 -1.527 0.379 1.00 0.00 C ATOM 0 H LEU A 578 4.641 -4.152 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 578 4.948 -5.238 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 578 4.374 -2.582 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 578 2.874 -3.240 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 578 3.750 -3.540 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 578 6.124 -3.286 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 578 5.863 -4.605 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 578 6.517 -3.045 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 578 4.661 -1.314 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.977 -1.001 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 578 3.305 -1.192 0.251 1.00 0.00 H new ATOM 311 N SER A 579 2.840 -6.520 -1.231 1.00 0.00 N ATOM 312 CA SER A 579 1.669 -7.377 -1.360 1.00 0.00 C ATOM 313 C SER A 579 0.861 -7.377 -0.066 1.00 0.00 C ATOM 314 O SER A 579 1.402 -7.610 1.014 1.00 0.00 O ATOM 315 CB SER A 579 2.089 -8.804 -1.719 1.00 0.00 C ATOM 316 OG SER A 579 1.287 -9.759 -1.048 1.00 0.00 O ATOM 0 H SER A 579 3.436 -6.738 -0.433 1.00 0.00 H new ATOM 0 HA SER A 579 1.043 -6.984 -2.161 1.00 0.00 H new ATOM 0 HB2 SER A 579 2.008 -8.950 -2.796 1.00 0.00 H new ATOM 0 HB3 SER A 579 3.136 -8.955 -1.455 1.00 0.00 H new ATOM 0 HG SER A 579 1.576 -10.662 -1.297 1.00 0.00 H new ATOM 322 N TRP A 580 -0.435 -7.106 -0.184 1.00 0.00 N ATOM 323 CA TRP A 580 -1.318 -7.067 0.976 1.00 0.00 C ATOM 324 C TRP A 580 -2.642 -7.760 0.676 1.00 0.00 C ATOM 325 O TRP A 580 -2.928 -8.101 -0.473 1.00 0.00 O ATOM 326 CB TRP A 580 -1.571 -5.619 1.399 1.00 0.00 C ATOM 327 CG TRP A 580 -2.156 -4.777 0.306 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.479 -4.518 0.090 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.438 -4.090 -0.725 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.627 -3.709 -1.011 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.388 -3.434 -1.528 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.084 -3.965 -1.044 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.026 -2.663 -2.631 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.275 -3.202 -2.138 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.693 -2.559 -2.921 1.00 0.00 C ATOM 0 H TRP A 580 -0.897 -6.910 -1.072 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.829 -7.598 1.793 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.245 -5.610 2.256 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.632 -5.174 1.728 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.290 -4.894 0.696 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.514 -3.369 -1.383 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.669 -4.456 -0.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -2.771 -2.166 -3.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.319 -3.099 -2.394 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.381 -1.970 -3.770 1.00 0.00 H new ATOM 346 N THR A 581 -3.445 -7.968 1.715 1.00 0.00 N ATOM 347 CA THR A 581 -4.738 -8.625 1.559 1.00 0.00 C ATOM 348 C THR A 581 -5.820 -7.631 1.152 1.00 0.00 C ATOM 349 O THR A 581 -5.925 -6.542 1.715 1.00 0.00 O ATOM 350 CB THR A 581 -5.168 -9.335 2.857 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.091 -10.136 3.357 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.386 -10.214 2.615 1.00 0.00 C ATOM 0 H THR A 581 -3.224 -7.692 2.672 1.00 0.00 H new ATOM 0 HA THR A 581 -4.620 -9.367 0.770 1.00 0.00 H new ATOM 0 HB THR A 581 -5.428 -8.573 3.592 1.00 0.00 H new ATOM 0 HG1 THR A 581 -3.563 -9.612 3.995 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.671 -10.705 3.545 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.214 -9.599 2.261 1.00 0.00 H new ATOM 0 HG23 THR A 581 -6.147 -10.968 1.865 1.00 0.00 H new ATOM 360 N ALA A 582 -6.624 -8.021 0.167 1.00 0.00 N ATOM 361 CA ALA A 582 -7.704 -7.173 -0.323 1.00 0.00 C ATOM 362 C ALA A 582 -8.742 -6.926 0.766 1.00 0.00 C ATOM 363 O ALA A 582 -8.725 -7.576 1.811 1.00 0.00 O ATOM 364 CB ALA A 582 -8.358 -7.805 -1.542 1.00 0.00 C ATOM 0 H ALA A 582 -6.547 -8.921 -0.308 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.278 -6.212 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -9.163 -7.162 -1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -7.616 -7.927 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.765 -8.780 -1.272 1.00 0.00 H new ATOM 370 N SER A 583 -9.645 -5.984 0.512 1.00 0.00 N ATOM 371 CA SER A 583 -10.693 -5.652 1.470 1.00 0.00 C ATOM 372 C SER A 583 -11.830 -6.665 1.401 1.00 0.00 C ATOM 373 O SER A 583 -11.959 -7.405 0.425 1.00 0.00 O ATOM 374 CB SER A 583 -11.232 -4.246 1.199 1.00 0.00 C ATOM 375 OG SER A 583 -10.202 -3.382 0.752 1.00 0.00 O ATOM 0 H SER A 583 -9.672 -5.438 -0.349 1.00 0.00 H new ATOM 0 HA SER A 583 -10.261 -5.682 2.470 1.00 0.00 H new ATOM 0 HB2 SER A 583 -12.021 -4.294 0.449 1.00 0.00 H new ATOM 0 HB3 SER A 583 -11.680 -3.843 2.108 1.00 0.00 H new ATOM 0 HG SER A 583 -9.991 -2.733 1.455 1.00 0.00 H new ATOM 381 N THR A 584 -12.657 -6.691 2.442 1.00 0.00 N ATOM 382 CA THR A 584 -13.786 -7.611 2.498 1.00 0.00 C ATOM 383 C THR A 584 -14.954 -7.086 1.669 1.00 0.00 C ATOM 384 O THR A 584 -15.954 -7.778 1.479 1.00 0.00 O ATOM 385 CB THR A 584 -14.258 -7.841 3.946 1.00 0.00 C ATOM 386 OG1 THR A 584 -14.041 -6.659 4.727 1.00 0.00 O ATOM 387 CG2 THR A 584 -13.518 -9.013 4.574 1.00 0.00 C ATOM 0 H THR A 584 -12.566 -6.085 3.258 1.00 0.00 H new ATOM 0 HA THR A 584 -13.444 -8.561 2.086 1.00 0.00 H new ATOM 0 HB THR A 584 -15.323 -8.071 3.926 1.00 0.00 H new ATOM 0 HG1 THR A 584 -14.345 -6.813 5.646 1.00 0.00 H new ATOM 0 HG21 THR A 584 -13.867 -9.158 5.596 1.00 0.00 H new ATOM 0 HG22 THR A 584 -13.708 -9.916 3.994 1.00 0.00 H new ATOM 0 HG23 THR A 584 -12.448 -8.806 4.582 1.00 0.00 H new ATOM 395 N ASP A 585 -14.816 -5.859 1.178 1.00 0.00 N ATOM 396 CA ASP A 585 -15.856 -5.235 0.367 1.00 0.00 C ATOM 397 C ASP A 585 -15.293 -4.769 -0.972 1.00 0.00 C ATOM 398 O ASP A 585 -15.258 -3.572 -1.262 1.00 0.00 O ATOM 399 CB ASP A 585 -16.474 -4.053 1.113 1.00 0.00 C ATOM 400 CG ASP A 585 -17.513 -4.487 2.130 1.00 0.00 C ATOM 401 OD1 ASP A 585 -17.654 -5.708 2.348 1.00 0.00 O ATOM 402 OD2 ASP A 585 -18.182 -3.606 2.710 1.00 0.00 O ATOM 0 H ASP A 585 -13.993 -5.276 1.328 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.630 -5.979 0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -15.686 -3.495 1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -16.935 -3.375 0.395 1.00 0.00 H new ATOM 407 N ASN A 586 -14.856 -5.724 -1.788 1.00 0.00 N ATOM 408 CA ASN A 586 -14.296 -5.416 -3.100 1.00 0.00 C ATOM 409 C ASN A 586 -15.400 -5.064 -4.093 1.00 0.00 C ATOM 410 O ASN A 586 -15.131 -4.788 -5.262 1.00 0.00 O ATOM 411 CB ASN A 586 -13.486 -6.602 -3.623 1.00 0.00 C ATOM 412 CG ASN A 586 -12.453 -7.083 -2.623 1.00 0.00 C ATOM 413 OD1 ASN A 586 -11.659 -6.297 -2.107 1.00 0.00 O ATOM 414 ND2 ASN A 586 -12.457 -8.382 -2.345 1.00 0.00 N ATOM 0 H ASN A 586 -14.879 -6.719 -1.563 1.00 0.00 H new ATOM 0 HA ASN A 586 -13.638 -4.554 -2.993 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -14.162 -7.422 -3.865 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -12.986 -6.317 -4.549 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -11.784 -8.763 -1.680 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -13.133 -8.998 -2.796 1.00 0.00 H new ATOM 421 N VAL A 587 -16.641 -5.075 -3.617 1.00 0.00 N ATOM 422 CA VAL A 587 -17.789 -4.758 -4.460 1.00 0.00 C ATOM 423 C VAL A 587 -17.846 -3.266 -4.772 1.00 0.00 C ATOM 424 O VAL A 587 -18.636 -2.826 -5.607 1.00 0.00 O ATOM 425 CB VAL A 587 -19.112 -5.183 -3.794 1.00 0.00 C ATOM 426 CG1 VAL A 587 -20.216 -5.325 -4.831 1.00 0.00 C ATOM 427 CG2 VAL A 587 -18.931 -6.482 -3.020 1.00 0.00 C ATOM 0 H VAL A 587 -16.878 -5.300 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 587 -17.663 -5.317 -5.387 1.00 0.00 H new ATOM 0 HB VAL A 587 -19.405 -4.404 -3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -21.141 -5.626 -4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -20.367 -4.370 -5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -19.932 -6.081 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -19.877 -6.765 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -18.611 -7.270 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -18.176 -6.342 -2.246 1.00 0.00 H new ATOM 437 N GLY A 588 -17.002 -2.492 -4.094 1.00 0.00 N ATOM 438 CA GLY A 588 -16.969 -1.057 -4.311 1.00 0.00 C ATOM 439 C GLY A 588 -15.562 -0.538 -4.529 1.00 0.00 C ATOM 440 O GLY A 588 -15.371 0.538 -5.098 1.00 0.00 O ATOM 0 H GLY A 588 -16.340 -2.834 -3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.583 -0.809 -5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.411 -0.552 -3.452 1.00 0.00 H new ATOM 444 N VAL A 589 -14.575 -1.303 -4.076 1.00 0.00 N ATOM 445 CA VAL A 589 -13.175 -0.919 -4.222 1.00 0.00 C ATOM 446 C VAL A 589 -12.730 -1.007 -5.678 1.00 0.00 C ATOM 447 O VAL A 589 -13.127 -1.918 -6.406 1.00 0.00 O ATOM 448 CB VAL A 589 -12.257 -1.807 -3.360 1.00 0.00 C ATOM 449 CG1 VAL A 589 -10.829 -1.285 -3.381 1.00 0.00 C ATOM 450 CG2 VAL A 589 -12.781 -1.889 -1.934 1.00 0.00 C ATOM 0 H VAL A 589 -14.719 -2.195 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.092 0.113 -3.882 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.256 -2.812 -3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.198 -1.927 -2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.457 -1.284 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -10.807 -0.269 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.121 -2.520 -1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -12.815 -0.889 -1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -13.784 -2.316 -1.939 1.00 0.00 H new ATOM 460 N THR A 590 -11.903 -0.053 -6.096 1.00 0.00 N ATOM 461 CA THR A 590 -11.403 -0.021 -7.465 1.00 0.00 C ATOM 462 C THR A 590 -9.879 0.044 -7.492 1.00 0.00 C ATOM 463 O THR A 590 -9.260 -0.132 -8.542 1.00 0.00 O ATOM 464 CB THR A 590 -11.971 1.180 -8.243 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.435 1.202 -9.573 1.00 0.00 O ATOM 466 CG2 THR A 590 -11.643 2.488 -7.539 1.00 0.00 C ATOM 0 H THR A 590 -11.566 0.707 -5.506 1.00 0.00 H new ATOM 0 HA THR A 590 -11.733 -0.943 -7.944 1.00 0.00 H new ATOM 0 HB THR A 590 -13.055 1.072 -8.289 1.00 0.00 H new ATOM 0 HG1 THR A 590 -10.616 0.665 -9.604 1.00 0.00 H new ATOM 0 HG21 THR A 590 -12.055 3.321 -8.108 1.00 0.00 H new ATOM 0 HG22 THR A 590 -12.077 2.482 -6.539 1.00 0.00 H new ATOM 0 HG23 THR A 590 -10.561 2.600 -7.464 1.00 0.00 H new ATOM 474 N GLY A 591 -9.279 0.297 -6.332 1.00 0.00 N ATOM 475 CA GLY A 591 -7.833 0.380 -6.250 1.00 0.00 C ATOM 476 C GLY A 591 -7.340 0.628 -4.838 1.00 0.00 C ATOM 477 O GLY A 591 -8.132 0.690 -3.897 1.00 0.00 O ATOM 0 H GLY A 591 -9.768 0.446 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.398 -0.547 -6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.482 1.182 -6.899 1.00 0.00 H new ATOM 481 N TYR A 592 -6.026 0.766 -4.692 1.00 0.00 N ATOM 482 CA TYR A 592 -5.418 1.006 -3.388 1.00 0.00 C ATOM 483 C TYR A 592 -4.385 2.126 -3.466 1.00 0.00 C ATOM 484 O TYR A 592 -3.851 2.419 -4.536 1.00 0.00 O ATOM 485 CB TYR A 592 -4.754 -0.271 -2.872 1.00 0.00 C ATOM 486 CG TYR A 592 -5.733 -1.368 -2.525 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.210 -2.232 -3.501 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.179 -1.541 -1.220 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.105 -3.236 -3.189 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.074 -2.543 -0.900 1.00 0.00 C ATOM 491 CZ TYR A 592 -7.535 -3.386 -1.885 1.00 0.00 C ATOM 492 OH TYR A 592 -8.426 -4.387 -1.572 1.00 0.00 O ATOM 0 H TYR A 592 -5.360 0.716 -5.463 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.206 1.307 -2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.061 -0.640 -3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.163 -0.031 -1.988 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -5.876 -2.117 -4.521 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -5.820 -0.881 -0.444 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -7.467 -3.900 -3.960 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -7.411 -2.664 0.119 1.00 0.00 H new ATOM 0 HH TYR A 592 -8.466 -5.032 -2.309 1.00 0.00 H new ATOM 502 N ASP A 593 -4.100 2.741 -2.323 1.00 0.00 N ATOM 503 CA ASP A 593 -3.125 3.822 -2.253 1.00 0.00 C ATOM 504 C ASP A 593 -1.993 3.458 -1.298 1.00 0.00 C ATOM 505 O ASP A 593 -2.237 3.043 -0.165 1.00 0.00 O ATOM 506 CB ASP A 593 -3.799 5.116 -1.796 1.00 0.00 C ATOM 507 CG ASP A 593 -4.427 5.881 -2.945 1.00 0.00 C ATOM 508 OD1 ASP A 593 -4.056 5.618 -4.109 1.00 0.00 O ATOM 509 OD2 ASP A 593 -5.292 6.742 -2.682 1.00 0.00 O ATOM 0 H ASP A 593 -4.533 2.508 -1.429 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.708 3.974 -3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -4.566 4.881 -1.058 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.063 5.750 -1.301 1.00 0.00 H new ATOM 514 N VAL A 594 -0.755 3.611 -1.761 1.00 0.00 N ATOM 515 CA VAL A 594 0.407 3.289 -0.939 1.00 0.00 C ATOM 516 C VAL A 594 1.010 4.545 -0.319 1.00 0.00 C ATOM 517 O VAL A 594 1.078 5.594 -0.960 1.00 0.00 O ATOM 518 CB VAL A 594 1.488 2.556 -1.758 1.00 0.00 C ATOM 519 CG1 VAL A 594 2.673 2.185 -0.878 1.00 0.00 C ATOM 520 CG2 VAL A 594 0.902 1.320 -2.422 1.00 0.00 C ATOM 0 H VAL A 594 -0.532 3.954 -2.695 1.00 0.00 H new ATOM 0 HA VAL A 594 0.059 2.631 -0.143 1.00 0.00 H new ATOM 0 HB VAL A 594 1.845 3.229 -2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 594 3.423 1.669 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 594 3.108 3.090 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 594 2.338 1.531 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 594 1.677 0.813 -2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 594 0.517 0.645 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 594 0.091 1.615 -3.088 1.00 0.00 H new ATOM 530 N TYR A 595 1.444 4.430 0.932 1.00 0.00 N ATOM 531 CA TYR A 595 2.039 5.555 1.645 1.00 0.00 C ATOM 532 C TYR A 595 3.437 5.208 2.147 1.00 0.00 C ATOM 533 O TYR A 595 3.717 4.059 2.487 1.00 0.00 O ATOM 534 CB TYR A 595 1.157 5.964 2.827 1.00 0.00 C ATOM 535 CG TYR A 595 -0.163 6.580 2.419 1.00 0.00 C ATOM 536 CD1 TYR A 595 -1.278 5.785 2.186 1.00 0.00 C ATOM 537 CD2 TYR A 595 -0.293 7.955 2.272 1.00 0.00 C ATOM 538 CE1 TYR A 595 -2.486 6.344 1.815 1.00 0.00 C ATOM 539 CE2 TYR A 595 -1.498 8.521 1.902 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.591 7.712 1.675 1.00 0.00 C ATOM 541 OH TYR A 595 -3.793 8.273 1.306 1.00 0.00 O ATOM 0 H TYR A 595 1.395 3.567 1.474 1.00 0.00 H new ATOM 0 HA TYR A 595 2.116 6.389 0.947 1.00 0.00 H new ATOM 0 HB2 TYR A 595 0.963 5.087 3.444 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.703 6.675 3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 595 -1.200 4.714 2.297 1.00 0.00 H new ATOM 0 HD2 TYR A 595 0.561 8.592 2.450 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -3.344 5.713 1.636 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -1.583 9.592 1.791 1.00 0.00 H new ATOM 0 HH TYR A 595 -3.697 9.247 1.253 1.00 0.00 H new ATOM 551 N ASN A 596 4.305 6.211 2.198 1.00 0.00 N ATOM 552 CA ASN A 596 5.673 6.023 2.669 1.00 0.00 C ATOM 553 C ASN A 596 6.089 7.181 3.569 1.00 0.00 C ATOM 554 O ASN A 596 6.634 8.181 3.100 1.00 0.00 O ATOM 555 CB ASN A 596 6.638 5.904 1.487 1.00 0.00 C ATOM 556 CG ASN A 596 8.042 5.540 1.927 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.316 4.395 2.285 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.941 6.517 1.905 1.00 0.00 N ATOM 0 H ASN A 596 4.085 7.167 1.918 1.00 0.00 H new ATOM 0 HA ASN A 596 5.712 5.098 3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 596 6.269 5.148 0.794 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.663 6.849 0.944 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.902 6.332 2.192 1.00 0.00 H new ATOM 0 HD22 ASN A 596 8.670 7.452 1.601 1.00 0.00 H new ATOM 565 N GLY A 597 5.820 7.044 4.863 1.00 0.00 N ATOM 566 CA GLY A 597 6.163 8.089 5.807 1.00 0.00 C ATOM 567 C GLY A 597 5.201 9.259 5.737 1.00 0.00 C ATOM 568 O GLY A 597 5.609 10.388 5.464 1.00 0.00 O ATOM 0 H GLY A 597 5.370 6.226 5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.162 7.679 6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 597 7.175 8.440 5.607 1.00 0.00 H new ATOM 572 N THR A 598 3.921 8.980 5.979 1.00 0.00 N ATOM 573 CA THR A 598 2.881 10.004 5.940 1.00 0.00 C ATOM 574 C THR A 598 2.951 10.815 4.649 1.00 0.00 C ATOM 575 O THR A 598 2.850 12.042 4.667 1.00 0.00 O ATOM 576 CB THR A 598 2.974 10.958 7.146 1.00 0.00 C ATOM 577 OG1 THR A 598 4.169 11.745 7.069 1.00 0.00 O ATOM 578 CG2 THR A 598 2.959 10.176 8.449 1.00 0.00 C ATOM 0 H THR A 598 3.579 8.046 6.206 1.00 0.00 H new ATOM 0 HA THR A 598 1.926 9.480 5.982 1.00 0.00 H new ATOM 0 HB THR A 598 2.109 11.620 7.122 1.00 0.00 H new ATOM 0 HG1 THR A 598 4.625 11.565 6.221 1.00 0.00 H new ATOM 0 HG21 THR A 598 3.026 10.867 9.289 1.00 0.00 H new ATOM 0 HG22 THR A 598 2.033 9.606 8.521 1.00 0.00 H new ATOM 0 HG23 THR A 598 3.808 9.493 8.473 1.00 0.00 H new ATOM 586 N ALA A 599 3.125 10.119 3.528 1.00 0.00 N ATOM 587 CA ALA A 599 3.210 10.772 2.227 1.00 0.00 C ATOM 588 C ALA A 599 2.847 9.812 1.098 1.00 0.00 C ATOM 589 O ALA A 599 3.484 8.772 0.928 1.00 0.00 O ATOM 590 CB ALA A 599 4.607 11.334 2.011 1.00 0.00 C ATOM 0 H ALA A 599 3.210 9.103 3.496 1.00 0.00 H new ATOM 0 HA ALA A 599 2.490 11.591 2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 599 4.657 11.819 1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 599 4.831 12.062 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 599 5.335 10.524 2.051 1.00 0.00 H new ATOM 596 N LEU A 600 1.822 10.170 0.329 1.00 0.00 N ATOM 597 CA LEU A 600 1.373 9.346 -0.790 1.00 0.00 C ATOM 598 C LEU A 600 2.524 9.060 -1.751 1.00 0.00 C ATOM 599 O LEU A 600 3.243 9.972 -2.161 1.00 0.00 O ATOM 600 CB LEU A 600 0.232 10.042 -1.535 1.00 0.00 C ATOM 601 CG LEU A 600 -0.723 9.120 -2.303 1.00 0.00 C ATOM 602 CD1 LEU A 600 -0.177 8.825 -3.689 1.00 0.00 C ATOM 603 CD2 LEU A 600 -0.976 7.826 -1.538 1.00 0.00 C ATOM 0 H LEU A 600 1.285 11.027 0.461 1.00 0.00 H new ATOM 0 HA LEU A 600 1.013 8.398 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.349 10.618 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.663 10.754 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 600 -1.677 9.637 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -0.867 8.169 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -0.064 9.758 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 600 0.793 8.336 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -1.657 7.194 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -0.032 7.301 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 600 -1.420 8.057 -0.570 1.00 0.00 H new ATOM 615 N ALA A 601 2.692 7.790 -2.105 1.00 0.00 N ATOM 616 CA ALA A 601 3.756 7.386 -3.015 1.00 0.00 C ATOM 617 C ALA A 601 3.191 6.882 -4.343 1.00 0.00 C ATOM 618 O ALA A 601 2.855 7.677 -5.223 1.00 0.00 O ATOM 619 CB ALA A 601 4.630 6.322 -2.366 1.00 0.00 C ATOM 0 H ALA A 601 2.105 7.024 -1.775 1.00 0.00 H new ATOM 0 HA ALA A 601 4.369 8.262 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.421 6.029 -3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 601 5.074 6.722 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 601 4.022 5.451 -2.121 1.00 0.00 H new ATOM 625 N THR A 602 3.093 5.563 -4.486 1.00 0.00 N ATOM 626 CA THR A 602 2.578 4.963 -5.714 1.00 0.00 C ATOM 627 C THR A 602 1.065 4.756 -5.654 1.00 0.00 C ATOM 628 O THR A 602 0.440 4.925 -4.605 1.00 0.00 O ATOM 629 CB THR A 602 3.260 3.615 -6.010 1.00 0.00 C ATOM 630 OG1 THR A 602 2.891 3.156 -7.316 1.00 0.00 O ATOM 631 CG2 THR A 602 2.876 2.570 -4.974 1.00 0.00 C ATOM 0 H THR A 602 3.363 4.890 -3.768 1.00 0.00 H new ATOM 0 HA THR A 602 2.805 5.664 -6.517 1.00 0.00 H new ATOM 0 HB THR A 602 4.339 3.764 -5.967 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.330 2.299 -7.498 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.372 1.628 -5.207 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.185 2.908 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.796 2.425 -4.987 1.00 0.00 H new ATOM 639 N THR A 603 0.493 4.377 -6.794 1.00 0.00 N ATOM 640 CA THR A 603 -0.940 4.131 -6.899 1.00 0.00 C ATOM 641 C THR A 603 -1.206 2.876 -7.720 1.00 0.00 C ATOM 642 O THR A 603 -0.697 2.732 -8.832 1.00 0.00 O ATOM 643 CB THR A 603 -1.673 5.321 -7.550 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.121 6.556 -7.078 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.163 5.276 -7.239 1.00 0.00 C ATOM 0 H THR A 603 1.006 4.233 -7.664 1.00 0.00 H new ATOM 0 HA THR A 603 -1.319 3.998 -5.886 1.00 0.00 H new ATOM 0 HB THR A 603 -1.540 5.253 -8.630 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.591 7.306 -7.498 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.659 6.126 -7.709 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.587 4.349 -7.625 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.311 5.321 -6.160 1.00 0.00 H new ATOM 653 N VAL A 604 -1.996 1.962 -7.164 1.00 0.00 N ATOM 654 CA VAL A 604 -2.312 0.714 -7.847 1.00 0.00 C ATOM 655 C VAL A 604 -3.812 0.440 -7.847 1.00 0.00 C ATOM 656 O VAL A 604 -4.601 1.241 -7.346 1.00 0.00 O ATOM 657 CB VAL A 604 -1.581 -0.473 -7.196 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.089 -0.394 -7.477 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.847 -0.512 -5.698 1.00 0.00 C ATOM 0 H VAL A 604 -2.427 2.063 -6.245 1.00 0.00 H new ATOM 0 HA VAL A 604 -1.975 0.824 -8.878 1.00 0.00 H new ATOM 0 HB VAL A 604 -1.964 -1.396 -7.631 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.415 -1.240 -7.010 1.00 0.00 H new ATOM 0 HG12 VAL A 604 0.080 -0.420 -8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.309 0.535 -7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.321 -1.359 -5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.493 0.413 -5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.917 -0.618 -5.521 1.00 0.00 H new ATOM 669 N THR A 605 -4.198 -0.699 -8.417 1.00 0.00 N ATOM 670 CA THR A 605 -5.602 -1.083 -8.488 1.00 0.00 C ATOM 671 C THR A 605 -5.798 -2.535 -8.064 1.00 0.00 C ATOM 672 O THR A 605 -6.880 -2.921 -7.621 1.00 0.00 O ATOM 673 CB THR A 605 -6.163 -0.897 -9.910 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.161 -1.227 -10.880 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.629 0.536 -10.125 1.00 0.00 C ATOM 0 H THR A 605 -3.556 -1.372 -8.836 1.00 0.00 H new ATOM 0 HA THR A 605 -6.143 -0.431 -7.802 1.00 0.00 H new ATOM 0 HB THR A 605 -7.018 -1.563 -10.029 1.00 0.00 H new ATOM 0 HG1 THR A 605 -5.526 -1.108 -11.781 1.00 0.00 H new ATOM 0 HG21 THR A 605 -7.021 0.643 -11.136 1.00 0.00 H new ATOM 0 HG22 THR A 605 -7.411 0.776 -9.405 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.789 1.216 -9.988 1.00 0.00 H new ATOM 683 N GLY A 606 -4.745 -3.335 -8.204 1.00 0.00 N ATOM 684 CA GLY A 606 -4.821 -4.737 -7.832 1.00 0.00 C ATOM 685 C GLY A 606 -4.537 -4.962 -6.360 1.00 0.00 C ATOM 686 O GLY A 606 -5.167 -4.349 -5.500 1.00 0.00 O ATOM 0 H GLY A 606 -3.840 -3.037 -8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.813 -5.120 -8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.108 -5.307 -8.428 1.00 0.00 H new ATOM 690 N THR A 607 -3.586 -5.845 -6.071 1.00 0.00 N ATOM 691 CA THR A 607 -3.217 -6.150 -4.694 1.00 0.00 C ATOM 692 C THR A 607 -1.714 -6.004 -4.485 1.00 0.00 C ATOM 693 O THR A 607 -1.187 -6.354 -3.429 1.00 0.00 O ATOM 694 CB THR A 607 -3.643 -7.576 -4.300 1.00 0.00 C ATOM 695 OG1 THR A 607 -3.983 -8.328 -5.471 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.833 -7.541 -3.352 1.00 0.00 C ATOM 0 H THR A 607 -3.057 -6.362 -6.773 1.00 0.00 H new ATOM 0 HA THR A 607 -3.742 -5.435 -4.060 1.00 0.00 H new ATOM 0 HB THR A 607 -2.806 -8.055 -3.792 1.00 0.00 H new ATOM 0 HG1 THR A 607 -4.251 -9.234 -5.211 1.00 0.00 H new ATOM 0 HG21 THR A 607 -5.117 -8.559 -3.087 1.00 0.00 H new ATOM 0 HG22 THR A 607 -4.563 -6.993 -2.449 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.672 -7.046 -3.840 1.00 0.00 H new ATOM 704 N THR A 608 -1.031 -5.481 -5.499 1.00 0.00 N ATOM 705 CA THR A 608 0.413 -5.286 -5.429 1.00 0.00 C ATOM 706 C THR A 608 0.791 -3.861 -5.820 1.00 0.00 C ATOM 707 O THR A 608 0.082 -3.210 -6.585 1.00 0.00 O ATOM 708 CB THR A 608 1.159 -6.270 -6.349 1.00 0.00 C ATOM 709 OG1 THR A 608 0.220 -7.059 -7.089 1.00 0.00 O ATOM 710 CG2 THR A 608 2.069 -7.181 -5.541 1.00 0.00 C ATOM 0 H THR A 608 -1.454 -5.185 -6.378 1.00 0.00 H new ATOM 0 HA THR A 608 0.708 -5.471 -4.396 1.00 0.00 H new ATOM 0 HB THR A 608 1.771 -5.692 -7.041 1.00 0.00 H new ATOM 0 HG1 THR A 608 0.703 -7.681 -7.673 1.00 0.00 H new ATOM 0 HG21 THR A 608 2.585 -7.867 -6.212 1.00 0.00 H new ATOM 0 HG22 THR A 608 2.802 -6.579 -5.003 1.00 0.00 H new ATOM 0 HG23 THR A 608 1.473 -7.750 -4.828 1.00 0.00 H new ATOM 718 N ALA A 609 1.915 -3.386 -5.291 1.00 0.00 N ATOM 719 CA ALA A 609 2.393 -2.038 -5.583 1.00 0.00 C ATOM 720 C ALA A 609 3.836 -2.064 -6.075 1.00 0.00 C ATOM 721 O ALA A 609 4.586 -2.995 -5.779 1.00 0.00 O ATOM 722 CB ALA A 609 2.274 -1.158 -4.350 1.00 0.00 C ATOM 0 H ALA A 609 2.513 -3.916 -4.657 1.00 0.00 H new ATOM 0 HA ALA A 609 1.771 -1.622 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.634 -0.156 -4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 609 1.230 -1.106 -4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.872 -1.580 -3.543 1.00 0.00 H new ATOM 728 N THR A 610 4.218 -1.035 -6.825 1.00 0.00 N ATOM 729 CA THR A 610 5.573 -0.938 -7.355 1.00 0.00 C ATOM 730 C THR A 610 6.136 0.466 -7.162 1.00 0.00 C ATOM 731 O THR A 610 5.707 1.414 -7.821 1.00 0.00 O ATOM 732 CB THR A 610 5.620 -1.300 -8.852 1.00 0.00 C ATOM 733 OG1 THR A 610 5.113 -2.625 -9.052 1.00 0.00 O ATOM 734 CG2 THR A 610 7.043 -1.211 -9.386 1.00 0.00 C ATOM 0 H THR A 610 3.609 -0.257 -7.079 1.00 0.00 H new ATOM 0 HA THR A 610 6.183 -1.651 -6.800 1.00 0.00 H new ATOM 0 HB THR A 610 4.999 -0.587 -9.395 1.00 0.00 H new ATOM 0 HG1 THR A 610 5.145 -2.847 -10.006 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.051 -1.471 -10.445 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.416 -0.195 -9.259 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.681 -1.903 -8.837 1.00 0.00 H new ATOM 742 N ILE A 611 7.099 0.589 -6.256 1.00 0.00 N ATOM 743 CA ILE A 611 7.723 1.876 -5.974 1.00 0.00 C ATOM 744 C ILE A 611 9.165 1.904 -6.468 1.00 0.00 C ATOM 745 O ILE A 611 10.012 1.151 -5.987 1.00 0.00 O ATOM 746 CB ILE A 611 7.701 2.193 -4.465 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.282 2.052 -3.912 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.238 3.594 -4.209 1.00 0.00 C ATOM 749 CD1 ILE A 611 6.068 0.786 -3.109 1.00 0.00 C ATOM 0 H ILE A 611 7.465 -0.187 -5.704 1.00 0.00 H new ATOM 0 HA ILE A 611 7.145 2.633 -6.504 1.00 0.00 H new ATOM 0 HB ILE A 611 8.344 1.479 -3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 611 6.059 2.914 -3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.574 2.071 -4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.216 3.802 -3.139 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.264 3.662 -4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.619 4.322 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 611 5.040 0.753 -2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.259 -0.082 -3.740 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.751 0.774 -2.260 1.00 0.00 H new ATOM 761 N SER A 612 9.437 2.777 -7.433 1.00 0.00 N ATOM 762 CA SER A 612 10.775 2.905 -7.996 1.00 0.00 C ATOM 763 C SER A 612 11.426 4.214 -7.558 1.00 0.00 C ATOM 764 O SER A 612 10.870 4.952 -6.745 1.00 0.00 O ATOM 765 CB SER A 612 10.717 2.835 -9.523 1.00 0.00 C ATOM 766 OG SER A 612 11.623 1.867 -10.025 1.00 0.00 O ATOM 0 H SER A 612 8.747 3.407 -7.841 1.00 0.00 H new ATOM 0 HA SER A 612 11.380 2.078 -7.625 1.00 0.00 H new ATOM 0 HB2 SER A 612 9.704 2.588 -9.840 1.00 0.00 H new ATOM 0 HB3 SER A 612 10.954 3.812 -9.944 1.00 0.00 H new ATOM 0 HG SER A 612 11.565 1.841 -11.003 1.00 0.00 H new ATOM 772 N GLY A 613 12.606 4.494 -8.103 1.00 0.00 N ATOM 773 CA GLY A 613 13.312 5.714 -7.759 1.00 0.00 C ATOM 774 C GLY A 613 13.745 5.748 -6.305 1.00 0.00 C ATOM 775 O GLY A 613 13.534 6.743 -5.613 1.00 0.00 O ATOM 0 H GLY A 613 13.086 3.897 -8.777 1.00 0.00 H new ATOM 0 HA2 GLY A 613 14.189 5.814 -8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.670 6.571 -7.963 1.00 0.00 H new ATOM 779 N LEU A 614 14.350 4.658 -5.840 1.00 0.00 N ATOM 780 CA LEU A 614 14.810 4.573 -4.457 1.00 0.00 C ATOM 781 C LEU A 614 16.325 4.402 -4.392 1.00 0.00 C ATOM 782 O LEU A 614 16.987 4.239 -5.417 1.00 0.00 O ATOM 783 CB LEU A 614 14.124 3.412 -3.736 1.00 0.00 C ATOM 784 CG LEU A 614 12.600 3.396 -3.834 1.00 0.00 C ATOM 785 CD1 LEU A 614 12.069 1.979 -3.679 1.00 0.00 C ATOM 786 CD2 LEU A 614 12.003 4.309 -2.781 1.00 0.00 C ATOM 0 H LEU A 614 14.533 3.824 -6.398 1.00 0.00 H new ATOM 0 HA LEU A 614 14.547 5.507 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 614 14.508 2.476 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.404 3.443 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 614 12.308 3.761 -4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.981 1.988 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 614 12.480 1.348 -4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 614 12.364 1.584 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.916 4.291 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 614 12.302 3.966 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 614 12.361 5.327 -2.936 1.00 0.00 H new ATOM 798 N ALA A 615 16.867 4.441 -3.177 1.00 0.00 N ATOM 799 CA ALA A 615 18.304 4.291 -2.973 1.00 0.00 C ATOM 800 C ALA A 615 18.599 3.352 -1.808 1.00 0.00 C ATOM 801 O ALA A 615 17.699 2.974 -1.061 1.00 0.00 O ATOM 802 CB ALA A 615 18.946 5.649 -2.734 1.00 0.00 C ATOM 0 H ALA A 615 16.332 4.575 -2.319 1.00 0.00 H new ATOM 0 HA ALA A 615 18.730 3.852 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 615 20.018 5.523 -2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 615 18.774 6.290 -3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 615 18.507 6.108 -1.849 1.00 0.00 H new ATOM 808 N ALA A 616 19.868 2.977 -1.662 1.00 0.00 N ATOM 809 CA ALA A 616 20.282 2.080 -0.589 1.00 0.00 C ATOM 810 C ALA A 616 20.546 2.845 0.704 1.00 0.00 C ATOM 811 O ALA A 616 20.560 4.077 0.714 1.00 0.00 O ATOM 812 CB ALA A 616 21.520 1.300 -1.005 1.00 0.00 C ATOM 0 H ALA A 616 20.626 3.281 -2.273 1.00 0.00 H new ATOM 0 HA ALA A 616 19.467 1.380 -0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.819 0.634 -0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 616 21.297 0.712 -1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 616 22.332 1.994 -1.222 1.00 0.00 H new ATOM 818 N ASP A 617 20.751 2.106 1.792 1.00 0.00 N ATOM 819 CA ASP A 617 21.012 2.709 3.096 1.00 0.00 C ATOM 820 C ASP A 617 19.896 3.677 3.479 1.00 0.00 C ATOM 821 O ASP A 617 20.153 4.768 3.989 1.00 0.00 O ATOM 822 CB ASP A 617 22.360 3.436 3.087 1.00 0.00 C ATOM 823 CG ASP A 617 23.441 2.656 3.811 1.00 0.00 C ATOM 824 OD1 ASP A 617 23.820 1.571 3.321 1.00 0.00 O ATOM 825 OD2 ASP A 617 23.908 3.131 4.867 1.00 0.00 O ATOM 0 H ASP A 617 20.741 1.086 1.796 1.00 0.00 H new ATOM 0 HA ASP A 617 21.046 1.912 3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.669 3.610 2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.246 4.414 3.555 1.00 0.00 H new ATOM 830 N THR A 618 18.657 3.268 3.225 1.00 0.00 N ATOM 831 CA THR A 618 17.499 4.096 3.539 1.00 0.00 C ATOM 832 C THR A 618 16.380 3.269 4.163 1.00 0.00 C ATOM 833 O THR A 618 16.153 2.121 3.777 1.00 0.00 O ATOM 834 CB THR A 618 16.954 4.796 2.282 1.00 0.00 C ATOM 835 OG1 THR A 618 17.976 4.875 1.281 1.00 0.00 O ATOM 836 CG2 THR A 618 16.452 6.194 2.613 1.00 0.00 C ATOM 0 H THR A 618 18.430 2.368 2.802 1.00 0.00 H new ATOM 0 HA THR A 618 17.836 4.847 4.253 1.00 0.00 H new ATOM 0 HB THR A 618 16.118 4.208 1.902 1.00 0.00 H new ATOM 0 HG1 THR A 618 17.793 4.221 0.574 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.072 6.668 1.708 1.00 0.00 H new ATOM 0 HG22 THR A 618 15.653 6.128 3.351 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.271 6.789 3.017 1.00 0.00 H new ATOM 844 N SER A 619 15.678 3.865 5.121 1.00 0.00 N ATOM 845 CA SER A 619 14.571 3.193 5.792 1.00 0.00 C ATOM 846 C SER A 619 13.243 3.630 5.184 1.00 0.00 C ATOM 847 O SER A 619 13.007 4.822 4.987 1.00 0.00 O ATOM 848 CB SER A 619 14.590 3.502 7.291 1.00 0.00 C ATOM 849 OG SER A 619 14.456 2.318 8.057 1.00 0.00 O ATOM 0 H SER A 619 15.856 4.814 5.451 1.00 0.00 H new ATOM 0 HA SER A 619 14.684 2.117 5.656 1.00 0.00 H new ATOM 0 HB2 SER A 619 15.523 4.003 7.550 1.00 0.00 H new ATOM 0 HB3 SER A 619 13.780 4.190 7.534 1.00 0.00 H new ATOM 0 HG SER A 619 14.473 2.542 9.011 1.00 0.00 H new ATOM 855 N TYR A 620 12.386 2.663 4.876 1.00 0.00 N ATOM 856 CA TYR A 620 11.093 2.966 4.275 1.00 0.00 C ATOM 857 C TYR A 620 9.942 2.341 5.056 1.00 0.00 C ATOM 858 O TYR A 620 9.913 1.132 5.284 1.00 0.00 O ATOM 859 CB TYR A 620 11.058 2.475 2.827 1.00 0.00 C ATOM 860 CG TYR A 620 12.068 3.153 1.930 1.00 0.00 C ATOM 861 CD1 TYR A 620 11.947 4.499 1.609 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.143 2.447 1.405 1.00 0.00 C ATOM 863 CE1 TYR A 620 12.868 5.123 0.789 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.069 3.063 0.585 1.00 0.00 C ATOM 865 CZ TYR A 620 13.927 4.401 0.280 1.00 0.00 C ATOM 866 OH TYR A 620 14.846 5.017 -0.537 1.00 0.00 O ATOM 0 H TYR A 620 12.561 1.670 5.031 1.00 0.00 H new ATOM 0 HA TYR A 620 10.967 4.048 4.301 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.237 1.400 2.813 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.059 2.637 2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 620 11.119 5.067 2.007 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.257 1.399 1.642 1.00 0.00 H new ATOM 0 HE1 TYR A 620 12.759 6.170 0.548 1.00 0.00 H new ATOM 0 HE2 TYR A 620 14.899 2.500 0.185 1.00 0.00 H new ATOM 0 HH TYR A 620 15.751 4.824 -0.215 1.00 0.00 H new ATOM 876 N THR A 621 8.983 3.178 5.439 1.00 0.00 N ATOM 877 CA THR A 621 7.804 2.724 6.168 1.00 0.00 C ATOM 878 C THR A 621 6.577 2.827 5.272 1.00 0.00 C ATOM 879 O THR A 621 6.115 3.926 4.966 1.00 0.00 O ATOM 880 CB THR A 621 7.571 3.552 7.447 1.00 0.00 C ATOM 881 OG1 THR A 621 7.895 4.926 7.208 1.00 0.00 O ATOM 882 CG2 THR A 621 8.414 3.020 8.596 1.00 0.00 C ATOM 0 H THR A 621 9.000 4.181 5.255 1.00 0.00 H new ATOM 0 HA THR A 621 7.972 1.687 6.460 1.00 0.00 H new ATOM 0 HB THR A 621 6.519 3.470 7.720 1.00 0.00 H new ATOM 0 HG1 THR A 621 7.443 5.232 6.394 1.00 0.00 H new ATOM 0 HG21 THR A 621 8.233 3.620 9.488 1.00 0.00 H new ATOM 0 HG22 THR A 621 8.144 1.983 8.795 1.00 0.00 H new ATOM 0 HG23 THR A 621 9.469 3.076 8.329 1.00 0.00 H new ATOM 890 N PHE A 622 6.073 1.683 4.824 1.00 0.00 N ATOM 891 CA PHE A 622 4.923 1.664 3.929 1.00 0.00 C ATOM 892 C PHE A 622 3.617 1.355 4.654 1.00 0.00 C ATOM 893 O PHE A 622 3.602 0.732 5.715 1.00 0.00 O ATOM 894 CB PHE A 622 5.147 0.644 2.815 1.00 0.00 C ATOM 895 CG PHE A 622 6.146 1.090 1.785 1.00 0.00 C ATOM 896 CD1 PHE A 622 5.936 2.250 1.055 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.294 0.351 1.548 1.00 0.00 C ATOM 898 CE1 PHE A 622 6.853 2.662 0.106 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.213 0.758 0.600 1.00 0.00 C ATOM 900 CZ PHE A 622 7.993 1.916 -0.119 1.00 0.00 C ATOM 0 H PHE A 622 6.440 0.762 5.064 1.00 0.00 H new ATOM 0 HA PHE A 622 4.830 2.665 3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.485 -0.294 3.255 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.196 0.441 2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.047 2.838 1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.472 -0.553 2.111 1.00 0.00 H new ATOM 0 HE1 PHE A 622 6.678 3.566 -0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.102 0.171 0.422 1.00 0.00 H new ATOM 0 HZ PHE A 622 8.712 2.238 -0.857 1.00 0.00 H new ATOM 910 N THR A 623 2.524 1.795 4.038 1.00 0.00 N ATOM 911 CA THR A 623 1.175 1.587 4.557 1.00 0.00 C ATOM 912 C THR A 623 0.171 1.733 3.422 1.00 0.00 C ATOM 913 O THR A 623 0.124 2.769 2.761 1.00 0.00 O ATOM 914 CB THR A 623 0.818 2.592 5.670 1.00 0.00 C ATOM 915 OG1 THR A 623 1.458 3.848 5.421 1.00 0.00 O ATOM 916 CG2 THR A 623 1.233 2.065 7.035 1.00 0.00 C ATOM 0 H THR A 623 2.549 2.310 3.158 1.00 0.00 H new ATOM 0 HA THR A 623 1.138 0.585 4.984 1.00 0.00 H new ATOM 0 HB THR A 623 -0.263 2.730 5.668 1.00 0.00 H new ATOM 0 HG1 THR A 623 1.224 4.481 6.132 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.970 2.794 7.802 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.717 1.126 7.235 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.310 1.898 7.048 1.00 0.00 H new ATOM 924 N VAL A 624 -0.619 0.694 3.182 1.00 0.00 N ATOM 925 CA VAL A 624 -1.597 0.731 2.102 1.00 0.00 C ATOM 926 C VAL A 624 -2.990 1.056 2.615 1.00 0.00 C ATOM 927 O VAL A 624 -3.302 0.853 3.789 1.00 0.00 O ATOM 928 CB VAL A 624 -1.651 -0.597 1.321 1.00 0.00 C ATOM 929 CG1 VAL A 624 -1.327 -0.360 -0.146 1.00 0.00 C ATOM 930 CG2 VAL A 624 -0.705 -1.624 1.920 1.00 0.00 C ATOM 0 H VAL A 624 -0.603 -0.176 3.714 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.267 1.523 1.429 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.663 -0.994 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.369 -1.306 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -2.053 0.333 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 624 -0.327 0.064 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -0.765 -2.550 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 624 0.315 -1.242 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -0.986 -1.818 2.955 1.00 0.00 H new ATOM 940 N LYS A 625 -3.824 1.562 1.715 1.00 0.00 N ATOM 941 CA LYS A 625 -5.192 1.925 2.047 1.00 0.00 C ATOM 942 C LYS A 625 -6.135 1.530 0.915 1.00 0.00 C ATOM 943 O LYS A 625 -5.718 1.420 -0.237 1.00 0.00 O ATOM 944 CB LYS A 625 -5.287 3.427 2.305 1.00 0.00 C ATOM 945 CG LYS A 625 -5.394 3.781 3.777 1.00 0.00 C ATOM 946 CD LYS A 625 -6.523 4.764 4.027 1.00 0.00 C ATOM 947 CE LYS A 625 -6.271 5.585 5.280 1.00 0.00 C ATOM 948 NZ LYS A 625 -5.907 6.991 4.958 1.00 0.00 N ATOM 0 H LYS A 625 -3.572 1.731 0.741 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.486 1.390 2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.409 3.917 1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -6.156 3.824 1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -5.562 2.875 4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -4.452 4.210 4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.627 5.428 3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -7.464 4.223 4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -7.163 5.575 5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -5.470 5.126 5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -5.743 7.518 5.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -5.041 7.002 4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -6.682 7.437 4.427 1.00 0.00 H new ATOM 962 N ALA A 626 -7.403 1.318 1.245 1.00 0.00 N ATOM 963 CA ALA A 626 -8.394 0.937 0.246 1.00 0.00 C ATOM 964 C ALA A 626 -9.297 2.114 -0.102 1.00 0.00 C ATOM 965 O ALA A 626 -9.808 2.799 0.783 1.00 0.00 O ATOM 966 CB ALA A 626 -9.222 -0.238 0.742 1.00 0.00 C ATOM 0 H ALA A 626 -7.769 1.403 2.193 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.866 0.635 -0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.957 -0.510 -0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.568 -1.088 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.735 0.041 1.662 1.00 0.00 H new ATOM 972 N LYS A 627 -9.487 2.343 -1.397 1.00 0.00 N ATOM 973 CA LYS A 627 -10.328 3.440 -1.864 1.00 0.00 C ATOM 974 C LYS A 627 -11.478 2.920 -2.717 1.00 0.00 C ATOM 975 O LYS A 627 -11.420 1.809 -3.244 1.00 0.00 O ATOM 976 CB LYS A 627 -9.496 4.442 -2.666 1.00 0.00 C ATOM 977 CG LYS A 627 -8.649 3.796 -3.750 1.00 0.00 C ATOM 978 CD LYS A 627 -7.879 4.836 -4.546 1.00 0.00 C ATOM 979 CE LYS A 627 -8.090 4.664 -6.041 1.00 0.00 C ATOM 980 NZ LYS A 627 -7.383 3.465 -6.569 1.00 0.00 N ATOM 0 H LYS A 627 -9.070 1.784 -2.142 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.746 3.941 -0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.163 5.172 -3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -8.845 4.989 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.951 3.092 -3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -9.289 3.223 -4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -8.197 5.834 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -6.816 4.758 -4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -9.156 4.577 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -7.735 5.553 -6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -6.628 3.765 -7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -6.969 2.930 -5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -8.058 2.861 -7.079 1.00 0.00 H new ATOM 994 N ASP A 628 -12.521 3.732 -2.852 1.00 0.00 N ATOM 995 CA ASP A 628 -13.685 3.357 -3.644 1.00 0.00 C ATOM 996 C ASP A 628 -13.804 4.240 -4.885 1.00 0.00 C ATOM 997 O ASP A 628 -12.997 5.147 -5.090 1.00 0.00 O ATOM 998 CB ASP A 628 -14.956 3.444 -2.791 1.00 0.00 C ATOM 999 CG ASP A 628 -15.646 4.790 -2.891 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -14.941 5.821 -2.867 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -16.889 4.815 -2.993 1.00 0.00 O ATOM 0 H ASP A 628 -12.583 4.655 -2.422 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.560 2.326 -3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.649 2.663 -3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -14.702 3.249 -1.749 1.00 0.00 H new ATOM 1006 N ALA A 629 -14.806 3.966 -5.715 1.00 0.00 N ATOM 1007 CA ALA A 629 -15.017 4.733 -6.939 1.00 0.00 C ATOM 1008 C ALA A 629 -15.649 6.092 -6.650 1.00 0.00 C ATOM 1009 O ALA A 629 -15.578 7.006 -7.472 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.885 3.942 -7.906 1.00 0.00 C ATOM 0 H ALA A 629 -15.484 3.219 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.043 4.913 -7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -16.037 4.522 -8.816 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -15.391 3.002 -8.153 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.850 3.734 -7.443 1.00 0.00 H new ATOM 1016 N ALA A 630 -16.271 6.219 -5.482 1.00 0.00 N ATOM 1017 CA ALA A 630 -16.921 7.467 -5.095 1.00 0.00 C ATOM 1018 C ALA A 630 -16.053 8.276 -4.133 1.00 0.00 C ATOM 1019 O ALA A 630 -16.569 8.994 -3.276 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.279 7.181 -4.471 1.00 0.00 C ATOM 0 H ALA A 630 -16.339 5.475 -4.788 1.00 0.00 H new ATOM 0 HA ALA A 630 -17.062 8.064 -5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.754 8.120 -4.187 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -18.908 6.660 -5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.149 6.558 -3.586 1.00 0.00 H new ATOM 1026 N GLY A 631 -14.737 8.158 -4.283 1.00 0.00 N ATOM 1027 CA GLY A 631 -13.821 8.887 -3.422 1.00 0.00 C ATOM 1028 C GLY A 631 -14.047 8.600 -1.949 1.00 0.00 C ATOM 1029 O GLY A 631 -14.703 9.374 -1.253 1.00 0.00 O ATOM 0 H GLY A 631 -14.288 7.570 -4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -12.796 8.626 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -13.934 9.956 -3.601 1.00 0.00 H new ATOM 1033 N ASN A 632 -13.503 7.483 -1.475 1.00 0.00 N ATOM 1034 CA ASN A 632 -13.648 7.093 -0.075 1.00 0.00 C ATOM 1035 C ASN A 632 -12.574 6.085 0.318 1.00 0.00 C ATOM 1036 O ASN A 632 -12.409 5.056 -0.338 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.037 6.497 0.164 1.00 0.00 C ATOM 1038 CG ASN A 632 -15.733 7.113 1.363 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -15.115 7.821 2.158 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -17.027 6.848 1.497 1.00 0.00 N ATOM 0 H ASN A 632 -12.958 6.832 -2.039 1.00 0.00 H new ATOM 0 HA ASN A 632 -13.530 7.983 0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.651 6.645 -0.725 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -14.947 5.421 0.313 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -17.548 7.237 2.283 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -17.500 6.256 0.814 1.00 0.00 H new ATOM 1047 N VAL A 633 -11.844 6.384 1.389 1.00 0.00 N ATOM 1048 CA VAL A 633 -10.785 5.497 1.858 1.00 0.00 C ATOM 1049 C VAL A 633 -11.017 5.054 3.297 1.00 0.00 C ATOM 1050 O VAL A 633 -11.496 5.826 4.128 1.00 0.00 O ATOM 1051 CB VAL A 633 -9.403 6.165 1.772 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -8.930 6.240 0.329 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -9.440 7.544 2.406 1.00 0.00 C ATOM 0 H VAL A 633 -11.966 7.230 1.946 1.00 0.00 H new ATOM 0 HA VAL A 633 -10.809 4.627 1.202 1.00 0.00 H new ATOM 0 HB VAL A 633 -8.689 5.555 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -7.950 6.716 0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -8.860 5.234 -0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -9.640 6.824 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -8.454 8.003 2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -10.167 8.165 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -9.726 7.455 3.454 1.00 0.00 H new ATOM 1063 N SER A 634 -10.656 3.808 3.584 1.00 0.00 N ATOM 1064 CA SER A 634 -10.802 3.255 4.923 1.00 0.00 C ATOM 1065 C SER A 634 -9.617 3.667 5.792 1.00 0.00 C ATOM 1066 O SER A 634 -9.092 4.770 5.646 1.00 0.00 O ATOM 1067 CB SER A 634 -10.909 1.732 4.856 1.00 0.00 C ATOM 1068 OG SER A 634 -11.712 1.229 5.909 1.00 0.00 O ATOM 0 H SER A 634 -10.259 3.161 2.903 1.00 0.00 H new ATOM 0 HA SER A 634 -11.716 3.648 5.369 1.00 0.00 H new ATOM 0 HB2 SER A 634 -11.335 1.436 3.897 1.00 0.00 H new ATOM 0 HB3 SER A 634 -9.913 1.292 4.912 1.00 0.00 H new ATOM 0 HG SER A 634 -12.607 1.022 5.568 1.00 0.00 H new ATOM 1074 N ALA A 635 -9.197 2.782 6.690 1.00 0.00 N ATOM 1075 CA ALA A 635 -8.067 3.063 7.569 1.00 0.00 C ATOM 1076 C ALA A 635 -6.756 2.596 6.941 1.00 0.00 C ATOM 1077 O ALA A 635 -6.749 2.013 5.858 1.00 0.00 O ATOM 1078 CB ALA A 635 -8.275 2.398 8.921 1.00 0.00 C ATOM 0 H ALA A 635 -9.621 1.865 6.828 1.00 0.00 H new ATOM 0 HA ALA A 635 -8.006 4.142 7.713 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.425 2.615 9.568 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -9.187 2.782 9.379 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.363 1.320 8.787 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.648 2.853 7.629 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.333 2.450 7.141 1.00 0.00 C ATOM 1086 C ALA A 636 -3.967 1.057 7.646 1.00 0.00 C ATOM 1087 O ALA A 636 -4.205 0.728 8.808 1.00 0.00 O ATOM 1088 CB ALA A 636 -3.281 3.462 7.569 1.00 0.00 C ATOM 0 H ALA A 636 -5.634 3.338 8.526 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.368 2.417 6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.304 3.150 7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.529 4.441 7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -3.255 3.521 8.657 1.00 0.00 H new ATOM 1094 N SER A 637 -3.388 0.243 6.768 1.00 0.00 N ATOM 1095 CA SER A 637 -2.992 -1.115 7.129 1.00 0.00 C ATOM 1096 C SER A 637 -1.847 -1.097 8.138 1.00 0.00 C ATOM 1097 O SER A 637 -1.498 -0.046 8.676 1.00 0.00 O ATOM 1098 CB SER A 637 -2.572 -1.896 5.883 1.00 0.00 C ATOM 1099 OG SER A 637 -1.228 -1.614 5.533 1.00 0.00 O ATOM 0 H SER A 637 -3.183 0.500 5.802 1.00 0.00 H new ATOM 0 HA SER A 637 -3.851 -1.607 7.586 1.00 0.00 H new ATOM 0 HB2 SER A 637 -2.687 -2.965 6.064 1.00 0.00 H new ATOM 0 HB3 SER A 637 -3.229 -1.641 5.051 1.00 0.00 H new ATOM 0 HG SER A 637 -0.648 -2.336 5.854 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.262 -2.266 8.386 1.00 0.00 N ATOM 1106 CA ASN A 638 -0.154 -2.378 9.327 1.00 0.00 C ATOM 1107 C ASN A 638 1.049 -1.579 8.841 1.00 0.00 C ATOM 1108 O ASN A 638 1.017 -0.983 7.763 1.00 0.00 O ATOM 1109 CB ASN A 638 0.237 -3.843 9.526 1.00 0.00 C ATOM 1110 CG ASN A 638 -0.506 -4.488 10.680 1.00 0.00 C ATOM 1111 OD1 ASN A 638 -1.225 -5.471 10.500 1.00 0.00 O ATOM 1112 ND2 ASN A 638 -0.334 -3.936 11.876 1.00 0.00 N ATOM 0 H ASN A 638 -1.537 -3.146 7.949 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.481 -1.969 10.283 1.00 0.00 H new ATOM 0 HB2 ASN A 638 0.033 -4.398 8.610 1.00 0.00 H new ATOM 0 HB3 ASN A 638 1.310 -3.909 9.706 1.00 0.00 H new ATOM 0 HD21 ASN A 638 -0.807 -4.327 12.691 1.00 0.00 H new ATOM 0 HD22 ASN A 638 0.271 -3.122 11.980 1.00 0.00 H new ATOM 1119 N ALA A 639 2.106 -1.567 9.642 1.00 0.00 N ATOM 1120 CA ALA A 639 3.317 -0.836 9.293 1.00 0.00 C ATOM 1121 C ALA A 639 4.432 -1.786 8.872 1.00 0.00 C ATOM 1122 O ALA A 639 4.843 -2.660 9.637 1.00 0.00 O ATOM 1123 CB ALA A 639 3.768 0.026 10.463 1.00 0.00 C ATOM 0 H ALA A 639 2.150 -2.055 10.537 1.00 0.00 H new ATOM 0 HA ALA A 639 3.089 -0.190 8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.674 0.567 10.189 1.00 0.00 H new ATOM 0 HB2 ALA A 639 2.982 0.738 10.714 1.00 0.00 H new ATOM 0 HB3 ALA A 639 3.972 -0.609 11.325 1.00 0.00 H new ATOM 1129 N VAL A 640 4.920 -1.605 7.649 1.00 0.00 N ATOM 1130 CA VAL A 640 5.990 -2.440 7.119 1.00 0.00 C ATOM 1131 C VAL A 640 7.272 -1.629 6.947 1.00 0.00 C ATOM 1132 O VAL A 640 7.326 -0.693 6.148 1.00 0.00 O ATOM 1133 CB VAL A 640 5.582 -3.077 5.772 1.00 0.00 C ATOM 1134 CG1 VAL A 640 6.801 -3.421 4.926 1.00 0.00 C ATOM 1135 CG2 VAL A 640 4.729 -4.313 6.012 1.00 0.00 C ATOM 0 H VAL A 640 4.590 -0.886 7.006 1.00 0.00 H new ATOM 0 HA VAL A 640 6.173 -3.240 7.837 1.00 0.00 H new ATOM 0 HB VAL A 640 4.994 -2.345 5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 640 6.477 -3.867 3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 640 7.369 -2.514 4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 640 7.430 -4.129 5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 640 4.448 -4.753 5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 640 5.297 -5.040 6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 640 3.830 -4.033 6.561 1.00 0.00 H new ATOM 1145 N SER A 641 8.299 -1.993 7.707 1.00 0.00 N ATOM 1146 CA SER A 641 9.580 -1.300 7.644 1.00 0.00 C ATOM 1147 C SER A 641 10.597 -2.105 6.842 1.00 0.00 C ATOM 1148 O SER A 641 11.165 -3.077 7.338 1.00 0.00 O ATOM 1149 CB SER A 641 10.113 -1.041 9.053 1.00 0.00 C ATOM 1150 OG SER A 641 11.486 -0.689 9.023 1.00 0.00 O ATOM 0 H SER A 641 8.269 -2.764 8.374 1.00 0.00 H new ATOM 0 HA SER A 641 9.423 -0.346 7.141 1.00 0.00 H new ATOM 0 HB2 SER A 641 9.539 -0.241 9.521 1.00 0.00 H new ATOM 0 HB3 SER A 641 9.976 -1.932 9.666 1.00 0.00 H new ATOM 0 HG SER A 641 11.802 -0.527 9.936 1.00 0.00 H new ATOM 1156 N VAL A 642 10.822 -1.689 5.600 1.00 0.00 N ATOM 1157 CA VAL A 642 11.769 -2.367 4.724 1.00 0.00 C ATOM 1158 C VAL A 642 12.986 -1.489 4.454 1.00 0.00 C ATOM 1159 O VAL A 642 12.875 -0.430 3.836 1.00 0.00 O ATOM 1160 CB VAL A 642 11.120 -2.755 3.380 1.00 0.00 C ATOM 1161 CG1 VAL A 642 10.695 -4.215 3.394 1.00 0.00 C ATOM 1162 CG2 VAL A 642 9.934 -1.852 3.073 1.00 0.00 C ATOM 0 H VAL A 642 10.360 -0.884 5.177 1.00 0.00 H new ATOM 0 HA VAL A 642 12.082 -3.275 5.239 1.00 0.00 H new ATOM 0 HB VAL A 642 11.861 -2.621 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 642 10.239 -4.470 2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.568 -4.846 3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 642 9.973 -4.376 4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 642 9.492 -2.144 2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 642 9.190 -1.948 3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 642 10.270 -0.817 3.015 1.00 0.00 H new ATOM 1172 N LYS A 643 14.147 -1.933 4.927 1.00 0.00 N ATOM 1173 CA LYS A 643 15.385 -1.185 4.741 1.00 0.00 C ATOM 1174 C LYS A 643 16.169 -1.709 3.542 1.00 0.00 C ATOM 1175 O LYS A 643 16.527 -2.886 3.487 1.00 0.00 O ATOM 1176 CB LYS A 643 16.248 -1.265 6.001 1.00 0.00 C ATOM 1177 CG LYS A 643 16.351 0.051 6.754 1.00 0.00 C ATOM 1178 CD LYS A 643 16.403 -0.170 8.257 1.00 0.00 C ATOM 1179 CE LYS A 643 17.826 -0.074 8.785 1.00 0.00 C ATOM 1180 NZ LYS A 643 18.099 -1.088 9.842 1.00 0.00 N ATOM 0 H LYS A 643 14.256 -2.807 5.442 1.00 0.00 H new ATOM 0 HA LYS A 643 15.122 -0.144 4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 643 15.835 -2.023 6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 643 17.249 -1.595 5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 643 17.245 0.586 6.433 1.00 0.00 H new ATOM 0 HG3 LYS A 643 15.496 0.681 6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 643 15.778 0.570 8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 643 15.990 -1.150 8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 643 18.528 -0.210 7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 643 17.997 0.924 9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 19.079 -0.988 10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 17.447 -0.943 10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 17.962 -2.042 9.452 1.00 0.00 H new ATOM 1194 N THR A 644 16.435 -0.824 2.587 1.00 0.00 N ATOM 1195 CA THR A 644 17.180 -1.187 1.389 1.00 0.00 C ATOM 1196 C THR A 644 18.682 -1.143 1.641 1.00 0.00 C ATOM 1197 O THR A 644 19.406 -1.972 1.050 1.00 0.00 O ATOM 1198 CB THR A 644 16.842 -0.250 0.217 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.876 1.113 0.655 1.00 0.00 O ATOM 1200 CG2 THR A 644 15.470 -0.572 -0.355 1.00 0.00 C ATOM 1201 OXT THR A 644 19.124 -0.278 2.427 1.00 0.00 O ATOM 0 H THR A 644 16.144 0.153 2.621 1.00 0.00 H new ATOM 0 HA THR A 644 16.888 -2.205 1.130 1.00 0.00 H new ATOM 0 HB THR A 644 17.587 -0.398 -0.565 1.00 0.00 H new ATOM 0 HG1 THR A 644 17.438 1.638 0.048 1.00 0.00 H new ATOM 0 HG21 THR A 644 15.253 0.104 -1.182 1.00 0.00 H new ATOM 0 HG22 THR A 644 15.458 -1.601 -0.714 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.714 -0.450 0.421 1.00 0.00 H new