USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=36 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 583 SER OG : rot -59:sc= 0.135 USER MOD Set 1.2: A 592 TYR OH : rot -15:sc= -0.503 USER MOD Set 2.1: A 572 THR OG1 : rot -30:sc= 1.66 USER MOD Set 2.2: A 574 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 575 SER OG : rot 58:sc= 0.704 USER MOD Set 3.1: A 568 SER OG : rot 25:sc= 0.0686 USER MOD Set 3.2: A 571 GLN : amide:sc= 0 K(o=0.069,f=0.93) USER MOD Single : A 561 THR OG1 : rot -122:sc= -0.446 USER MOD Single : A 564 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 565 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 569 THR OG1 : rot 180:sc= -0.608 USER MOD Single : A 573 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 577 THR OG1 : rot -157:sc= -1.3 USER MOD Single : A 579 SER OG : rot 110:sc= -0.227 USER MOD Single : A 581 THR OG1 : rot 180:sc= 0 USER MOD Single : A 584 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : A 586 ASN : amide:sc= -0.333 K(o=-0.33,f=-3.4!) USER MOD Single : A 590 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.17) USER MOD Single : A 598 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 THR OG1 : rot 153:sc= -0.259 USER MOD Single : A 603 THR OG1 : rot -69:sc= 1.1 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 64:sc= 0.37 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 TYR OH : rot 159:sc= 0.00283 USER MOD Single : A 621 THR OG1 : rot 180:sc= 0.00114 USER MOD Single : A 623 THR OG1 : rot 180:sc= 0 USER MOD Single : A 625 LYS NZ :NH3+ -176:sc= 0.122 (180deg=0.116) USER MOD Single : A 627 LYS NZ :NH3+ -169:sc= -0.986 (180deg=-1.3!) USER MOD Single : A 632 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 634 SER OG : rot 70:sc= -1.79 USER MOD Single : A 637 SER OG : rot 56:sc= -0.0355 USER MOD Single : A 638 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.43) USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD Single : A 643 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00577) USER MOD Single : A 644 THR OG1 : rot 148:sc= 0.422 USER MOD ----------------------------------------------------------------- ATOM 38 N ALA A 559 -16.811 3.676 4.757 1.00 0.00 N ATOM 39 CA ALA A 559 -15.596 3.430 3.987 1.00 0.00 C ATOM 40 C ALA A 559 -15.361 1.933 3.787 1.00 0.00 C ATOM 41 O ALA A 559 -15.894 1.111 4.533 1.00 0.00 O ATOM 42 CB ALA A 559 -14.402 4.068 4.683 1.00 0.00 C ATOM 0 HA ALA A 559 -15.718 3.882 3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -13.499 3.880 4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -14.562 5.143 4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -14.289 3.639 5.678 1.00 0.00 H new ATOM 48 N PRO A 560 -14.556 1.555 2.774 1.00 0.00 N ATOM 49 CA PRO A 560 -14.256 0.147 2.485 1.00 0.00 C ATOM 50 C PRO A 560 -13.463 -0.519 3.603 1.00 0.00 C ATOM 51 O PRO A 560 -13.313 0.042 4.689 1.00 0.00 O ATOM 52 CB PRO A 560 -13.420 0.213 1.205 1.00 0.00 C ATOM 53 CG PRO A 560 -12.835 1.582 1.206 1.00 0.00 C ATOM 54 CD PRO A 560 -13.874 2.465 1.832 1.00 0.00 C ATOM 0 HA PRO A 560 -15.164 -0.448 2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.642 -0.550 1.201 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -14.035 0.046 0.321 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -11.904 1.610 1.772 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.602 1.909 0.193 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.425 3.316 2.345 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.563 2.868 1.089 1.00 0.00 H new ATOM 62 N THR A 561 -12.956 -1.717 3.332 1.00 0.00 N ATOM 63 CA THR A 561 -12.176 -2.457 4.318 1.00 0.00 C ATOM 64 C THR A 561 -10.696 -2.104 4.225 1.00 0.00 C ATOM 65 O THR A 561 -10.056 -2.330 3.199 1.00 0.00 O ATOM 66 CB THR A 561 -12.342 -3.979 4.139 1.00 0.00 C ATOM 67 OG1 THR A 561 -13.563 -4.264 3.446 1.00 0.00 O ATOM 68 CG2 THR A 561 -12.345 -4.682 5.489 1.00 0.00 C ATOM 0 H THR A 561 -13.071 -2.196 2.439 1.00 0.00 H new ATOM 0 HA THR A 561 -12.554 -2.171 5.300 1.00 0.00 H new ATOM 0 HB THR A 561 -11.500 -4.347 3.553 1.00 0.00 H new ATOM 0 HG1 THR A 561 -14.122 -4.851 3.996 1.00 0.00 H new ATOM 0 HG21 THR A 561 -12.463 -5.755 5.340 1.00 0.00 H new ATOM 0 HG22 THR A 561 -11.403 -4.488 6.002 1.00 0.00 H new ATOM 0 HG23 THR A 561 -13.171 -4.306 6.093 1.00 0.00 H new ATOM 76 N ALA A 562 -10.159 -1.547 5.307 1.00 0.00 N ATOM 77 CA ALA A 562 -8.753 -1.160 5.352 1.00 0.00 C ATOM 78 C ALA A 562 -7.840 -2.365 5.136 1.00 0.00 C ATOM 79 O ALA A 562 -7.967 -3.376 5.829 1.00 0.00 O ATOM 80 CB ALA A 562 -8.437 -0.491 6.681 1.00 0.00 C ATOM 0 H ALA A 562 -10.677 -1.354 6.164 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.571 -0.452 4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.385 -0.206 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -9.056 0.398 6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.643 -1.185 7.496 1.00 0.00 H new ATOM 86 N PRO A 563 -6.900 -2.273 4.175 1.00 0.00 N ATOM 87 CA PRO A 563 -5.959 -3.362 3.878 1.00 0.00 C ATOM 88 C PRO A 563 -5.332 -3.937 5.143 1.00 0.00 C ATOM 89 O PRO A 563 -5.272 -3.269 6.175 1.00 0.00 O ATOM 90 CB PRO A 563 -4.897 -2.678 3.018 1.00 0.00 C ATOM 91 CG PRO A 563 -5.624 -1.571 2.336 1.00 0.00 C ATOM 92 CD PRO A 563 -6.677 -1.101 3.304 1.00 0.00 C ATOM 0 HA PRO A 563 -6.444 -4.207 3.389 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.077 -2.298 3.628 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.463 -3.371 2.297 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.944 -0.760 2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -6.076 -1.917 1.406 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.339 -0.236 3.875 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.591 -0.805 2.789 1.00 0.00 H new ATOM 100 N THR A 564 -4.868 -5.179 5.059 1.00 0.00 N ATOM 101 CA THR A 564 -4.252 -5.836 6.205 1.00 0.00 C ATOM 102 C THR A 564 -3.277 -6.922 5.767 1.00 0.00 C ATOM 103 O THR A 564 -3.348 -7.420 4.642 1.00 0.00 O ATOM 104 CB THR A 564 -5.313 -6.456 7.133 1.00 0.00 C ATOM 105 OG1 THR A 564 -4.723 -7.480 7.941 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.462 -7.038 6.326 1.00 0.00 C ATOM 0 H THR A 564 -4.906 -5.748 4.214 1.00 0.00 H new ATOM 0 HA THR A 564 -3.706 -5.066 6.750 1.00 0.00 H new ATOM 0 HB THR A 564 -5.704 -5.669 7.777 1.00 0.00 H new ATOM 0 HG1 THR A 564 -5.405 -7.867 8.529 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.199 -7.470 7.002 1.00 0.00 H new ATOM 0 HG22 THR A 564 -6.929 -6.249 5.737 1.00 0.00 H new ATOM 0 HG23 THR A 564 -6.083 -7.813 5.659 1.00 0.00 H new ATOM 114 N ASN A 565 -2.366 -7.279 6.669 1.00 0.00 N ATOM 115 CA ASN A 565 -1.367 -8.305 6.396 1.00 0.00 C ATOM 116 C ASN A 565 -0.490 -7.922 5.207 1.00 0.00 C ATOM 117 O ASN A 565 -0.290 -8.719 4.289 1.00 0.00 O ATOM 118 CB ASN A 565 -2.040 -9.654 6.139 1.00 0.00 C ATOM 119 CG ASN A 565 -1.198 -10.819 6.621 1.00 0.00 C ATOM 120 OD1 ASN A 565 -0.110 -11.071 6.102 1.00 0.00 O ATOM 121 ND2 ASN A 565 -1.699 -11.538 7.619 1.00 0.00 N ATOM 0 H ASN A 565 -2.300 -6.869 7.601 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.729 -8.389 7.276 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -3.008 -9.676 6.640 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -2.232 -9.764 5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -1.178 -12.335 7.985 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -2.605 -11.293 8.019 1.00 0.00 H new ATOM 128 N LEU A 566 0.039 -6.702 5.234 1.00 0.00 N ATOM 129 CA LEU A 566 0.902 -6.223 4.160 1.00 0.00 C ATOM 130 C LEU A 566 2.274 -6.882 4.246 1.00 0.00 C ATOM 131 O LEU A 566 2.664 -7.388 5.299 1.00 0.00 O ATOM 132 CB LEU A 566 1.045 -4.700 4.222 1.00 0.00 C ATOM 133 CG LEU A 566 2.047 -4.101 3.230 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.591 -4.331 1.799 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.236 -2.619 3.495 1.00 0.00 C ATOM 0 H LEU A 566 -0.114 -6.029 5.985 1.00 0.00 H new ATOM 0 HA LEU A 566 0.443 -6.490 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 566 0.068 -4.251 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.345 -4.419 5.232 1.00 0.00 H new ATOM 0 HG LEU A 566 3.005 -4.602 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.317 -3.897 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.508 -5.401 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.620 -3.859 1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 566 2.951 -2.210 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.281 -2.105 3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 566 2.612 -2.476 4.508 1.00 0.00 H new ATOM 147 N ALA A 567 3.002 -6.873 3.136 1.00 0.00 N ATOM 148 CA ALA A 567 4.329 -7.471 3.092 1.00 0.00 C ATOM 149 C ALA A 567 5.134 -6.954 1.905 1.00 0.00 C ATOM 150 O ALA A 567 4.672 -6.095 1.153 1.00 0.00 O ATOM 151 CB ALA A 567 4.226 -8.987 3.038 1.00 0.00 C ATOM 0 H ALA A 567 2.696 -6.459 2.256 1.00 0.00 H new ATOM 0 HA ALA A 567 4.853 -7.184 4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 567 5.226 -9.419 3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.704 -9.348 3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.674 -9.283 2.146 1.00 0.00 H new ATOM 157 N SER A 568 6.339 -7.493 1.742 1.00 0.00 N ATOM 158 CA SER A 568 7.216 -7.102 0.645 1.00 0.00 C ATOM 159 C SER A 568 7.812 -8.338 -0.024 1.00 0.00 C ATOM 160 O SER A 568 8.332 -9.227 0.650 1.00 0.00 O ATOM 161 CB SER A 568 8.336 -6.194 1.157 1.00 0.00 C ATOM 162 OG SER A 568 9.019 -6.791 2.244 1.00 0.00 O ATOM 0 H SER A 568 6.731 -8.205 2.359 1.00 0.00 H new ATOM 0 HA SER A 568 6.626 -6.554 -0.090 1.00 0.00 H new ATOM 0 HB2 SER A 568 9.039 -5.989 0.350 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.919 -5.236 1.468 1.00 0.00 H new ATOM 0 HG SER A 568 8.930 -7.766 2.191 1.00 0.00 H new ATOM 168 N THR A 569 7.727 -8.392 -1.350 1.00 0.00 N ATOM 169 CA THR A 569 8.254 -9.529 -2.098 1.00 0.00 C ATOM 170 C THR A 569 9.573 -9.183 -2.784 1.00 0.00 C ATOM 171 O THR A 569 10.648 -9.446 -2.245 1.00 0.00 O ATOM 172 CB THR A 569 7.247 -10.021 -3.155 1.00 0.00 C ATOM 173 OG1 THR A 569 6.689 -8.905 -3.860 1.00 0.00 O ATOM 174 CG2 THR A 569 6.130 -10.823 -2.505 1.00 0.00 C ATOM 0 H THR A 569 7.301 -7.666 -1.926 1.00 0.00 H new ATOM 0 HA THR A 569 8.429 -10.326 -1.375 1.00 0.00 H new ATOM 0 HB THR A 569 7.777 -10.665 -3.856 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.051 -9.227 -4.531 1.00 0.00 H new ATOM 0 HG21 THR A 569 5.431 -11.160 -3.271 1.00 0.00 H new ATOM 0 HG22 THR A 569 6.553 -11.688 -1.994 1.00 0.00 H new ATOM 0 HG23 THR A 569 5.604 -10.197 -1.784 1.00 0.00 H new ATOM 182 N ALA A 570 9.487 -8.600 -3.977 1.00 0.00 N ATOM 183 CA ALA A 570 10.677 -8.228 -4.734 1.00 0.00 C ATOM 184 C ALA A 570 11.201 -6.862 -4.306 1.00 0.00 C ATOM 185 O ALA A 570 10.645 -5.828 -4.678 1.00 0.00 O ATOM 186 CB ALA A 570 10.377 -8.238 -6.226 1.00 0.00 C ATOM 0 H ALA A 570 8.606 -8.376 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 570 11.453 -8.964 -4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.274 -7.959 -6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.061 -9.237 -6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.581 -7.526 -6.442 1.00 0.00 H new ATOM 192 N GLN A 571 12.278 -6.864 -3.527 1.00 0.00 N ATOM 193 CA GLN A 571 12.883 -5.625 -3.050 1.00 0.00 C ATOM 194 C GLN A 571 14.319 -5.498 -3.545 1.00 0.00 C ATOM 195 O GLN A 571 15.178 -6.312 -3.202 1.00 0.00 O ATOM 196 CB GLN A 571 12.852 -5.567 -1.521 1.00 0.00 C ATOM 197 CG GLN A 571 11.671 -6.297 -0.903 1.00 0.00 C ATOM 198 CD GLN A 571 12.093 -7.287 0.164 1.00 0.00 C ATOM 199 OE1 GLN A 571 12.156 -8.493 -0.080 1.00 0.00 O ATOM 200 NE2 GLN A 571 12.387 -6.783 1.357 1.00 0.00 N ATOM 0 H GLN A 571 12.751 -7.711 -3.212 1.00 0.00 H new ATOM 0 HA GLN A 571 12.303 -4.792 -3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 571 13.776 -5.995 -1.132 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.827 -4.524 -1.207 1.00 0.00 H new ATOM 0 HG2 GLN A 571 10.986 -5.569 -0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 571 11.123 -6.823 -1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 571 12.322 -5.778 1.516 1.00 0.00 H new ATOM 0 HE22 GLN A 571 12.678 -7.401 2.114 1.00 0.00 H new ATOM 209 N THR A 572 14.574 -4.473 -4.350 1.00 0.00 N ATOM 210 CA THR A 572 15.906 -4.238 -4.893 1.00 0.00 C ATOM 211 C THR A 572 16.554 -3.016 -4.248 1.00 0.00 C ATOM 212 O THR A 572 16.139 -2.578 -3.175 1.00 0.00 O ATOM 213 CB THR A 572 15.863 -4.044 -6.421 1.00 0.00 C ATOM 214 OG1 THR A 572 15.102 -2.876 -6.746 1.00 0.00 O ATOM 215 CG2 THR A 572 15.252 -5.258 -7.105 1.00 0.00 C ATOM 0 H THR A 572 13.874 -3.790 -4.641 1.00 0.00 H new ATOM 0 HA THR A 572 16.503 -5.121 -4.666 1.00 0.00 H new ATOM 0 HB THR A 572 16.886 -3.922 -6.777 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.408 -2.739 -6.068 1.00 0.00 H new ATOM 0 HG21 THR A 572 15.233 -5.097 -8.183 1.00 0.00 H new ATOM 0 HG22 THR A 572 15.850 -6.141 -6.881 1.00 0.00 H new ATOM 0 HG23 THR A 572 14.235 -5.407 -6.742 1.00 0.00 H new ATOM 223 N THR A 573 17.578 -2.474 -4.903 1.00 0.00 N ATOM 224 CA THR A 573 18.284 -1.308 -4.385 1.00 0.00 C ATOM 225 C THR A 573 17.667 -0.007 -4.893 1.00 0.00 C ATOM 226 O THR A 573 18.291 1.052 -4.823 1.00 0.00 O ATOM 227 CB THR A 573 19.776 -1.339 -4.769 1.00 0.00 C ATOM 228 OG1 THR A 573 19.973 -2.190 -5.905 1.00 0.00 O ATOM 229 CG2 THR A 573 20.622 -1.835 -3.606 1.00 0.00 C ATOM 0 H THR A 573 17.936 -2.824 -5.792 1.00 0.00 H new ATOM 0 HA THR A 573 18.191 -1.345 -3.300 1.00 0.00 H new ATOM 0 HB THR A 573 20.086 -0.324 -5.018 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.923 -2.203 -6.143 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.672 -1.849 -3.899 1.00 0.00 H new ATOM 0 HG22 THR A 573 20.493 -1.170 -2.752 1.00 0.00 H new ATOM 0 HG23 THR A 573 20.309 -2.842 -3.332 1.00 0.00 H new ATOM 237 N SER A 574 16.440 -0.091 -5.400 1.00 0.00 N ATOM 238 CA SER A 574 15.745 1.087 -5.913 1.00 0.00 C ATOM 239 C SER A 574 14.244 0.841 -6.013 1.00 0.00 C ATOM 240 O SER A 574 13.440 1.697 -5.647 1.00 0.00 O ATOM 241 CB SER A 574 16.300 1.480 -7.281 1.00 0.00 C ATOM 242 OG SER A 574 16.673 0.338 -8.033 1.00 0.00 O ATOM 0 H SER A 574 15.908 -0.959 -5.467 1.00 0.00 H new ATOM 0 HA SER A 574 15.913 1.904 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.551 2.050 -7.830 1.00 0.00 H new ATOM 0 HB3 SER A 574 17.165 2.131 -7.152 1.00 0.00 H new ATOM 0 HG SER A 574 17.023 0.620 -8.904 1.00 0.00 H new ATOM 248 N SER A 575 13.873 -0.334 -6.509 1.00 0.00 N ATOM 249 CA SER A 575 12.467 -0.693 -6.652 1.00 0.00 C ATOM 250 C SER A 575 12.028 -1.607 -5.515 1.00 0.00 C ATOM 251 O SER A 575 12.860 -2.132 -4.774 1.00 0.00 O ATOM 252 CB SER A 575 12.226 -1.377 -7.998 1.00 0.00 C ATOM 253 OG SER A 575 13.450 -1.650 -8.659 1.00 0.00 O ATOM 0 H SER A 575 14.526 -1.054 -6.819 1.00 0.00 H new ATOM 0 HA SER A 575 11.875 0.221 -6.611 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.677 -2.306 -7.844 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.604 -0.740 -8.627 1.00 0.00 H new ATOM 0 HG SER A 575 14.010 -2.218 -8.090 1.00 0.00 H new ATOM 259 N ILE A 576 10.720 -1.792 -5.378 1.00 0.00 N ATOM 260 CA ILE A 576 10.177 -2.644 -4.327 1.00 0.00 C ATOM 261 C ILE A 576 8.753 -3.081 -4.650 1.00 0.00 C ATOM 262 O ILE A 576 7.989 -2.340 -5.271 1.00 0.00 O ATOM 263 CB ILE A 576 10.191 -1.929 -2.960 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.919 -2.930 -1.834 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.169 -0.800 -2.937 1.00 0.00 C ATOM 266 CD1 ILE A 576 10.105 -2.350 -0.447 1.00 0.00 C ATOM 0 H ILE A 576 10.017 -1.364 -5.981 1.00 0.00 H new ATOM 0 HA ILE A 576 10.817 -3.525 -4.273 1.00 0.00 H new ATOM 0 HB ILE A 576 11.179 -1.496 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.899 -3.302 -1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.583 -3.786 -1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 576 9.193 -0.307 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.408 -0.077 -3.717 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.173 -1.207 -3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.895 -3.116 0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 576 11.132 -2.004 -0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.422 -1.512 -0.308 1.00 0.00 H new ATOM 278 N THR A 577 8.401 -4.285 -4.218 1.00 0.00 N ATOM 279 CA THR A 577 7.068 -4.820 -4.451 1.00 0.00 C ATOM 280 C THR A 577 6.340 -5.042 -3.131 1.00 0.00 C ATOM 281 O THR A 577 6.910 -5.577 -2.179 1.00 0.00 O ATOM 282 CB THR A 577 7.117 -6.145 -5.234 1.00 0.00 C ATOM 283 OG1 THR A 577 8.006 -6.022 -6.351 1.00 0.00 O ATOM 284 CG2 THR A 577 5.730 -6.533 -5.725 1.00 0.00 C ATOM 0 H THR A 577 9.022 -4.910 -3.704 1.00 0.00 H new ATOM 0 HA THR A 577 6.527 -4.085 -5.047 1.00 0.00 H new ATOM 0 HB THR A 577 7.481 -6.924 -4.565 1.00 0.00 H new ATOM 0 HG1 THR A 577 7.772 -6.689 -7.030 1.00 0.00 H new ATOM 0 HG21 THR A 577 5.788 -7.472 -6.275 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.062 -6.653 -4.872 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.344 -5.752 -6.380 1.00 0.00 H new ATOM 292 N LEU A 578 5.084 -4.618 -3.077 1.00 0.00 N ATOM 293 CA LEU A 578 4.278 -4.757 -1.870 1.00 0.00 C ATOM 294 C LEU A 578 3.052 -5.629 -2.126 1.00 0.00 C ATOM 295 O LEU A 578 2.354 -5.454 -3.123 1.00 0.00 O ATOM 296 CB LEU A 578 3.842 -3.375 -1.376 1.00 0.00 C ATOM 297 CG LEU A 578 4.330 -2.979 0.023 1.00 0.00 C ATOM 298 CD1 LEU A 578 5.774 -3.408 0.246 1.00 0.00 C ATOM 299 CD2 LEU A 578 4.189 -1.477 0.222 1.00 0.00 C ATOM 0 H LEU A 578 4.600 -4.174 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 578 4.886 -5.241 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 578 4.195 -2.628 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 578 2.753 -3.334 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 578 3.710 -3.495 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 578 6.091 -3.113 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 578 5.852 -4.491 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 578 6.415 -2.928 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 578 4.538 -1.208 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.785 -0.953 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 578 3.142 -1.193 0.115 1.00 0.00 H new ATOM 311 N SER A 579 2.795 -6.565 -1.217 1.00 0.00 N ATOM 312 CA SER A 579 1.649 -7.459 -1.341 1.00 0.00 C ATOM 313 C SER A 579 0.828 -7.454 -0.055 1.00 0.00 C ATOM 314 O SER A 579 1.379 -7.554 1.042 1.00 0.00 O ATOM 315 CB SER A 579 2.113 -8.882 -1.661 1.00 0.00 C ATOM 316 OG SER A 579 3.523 -8.990 -1.581 1.00 0.00 O ATOM 0 H SER A 579 3.365 -6.724 -0.386 1.00 0.00 H new ATOM 0 HA SER A 579 1.023 -7.102 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 579 1.652 -9.583 -0.965 1.00 0.00 H new ATOM 0 HB3 SER A 579 1.780 -9.160 -2.661 1.00 0.00 H new ATOM 0 HG SER A 579 3.766 -9.529 -0.799 1.00 0.00 H new ATOM 322 N TRP A 580 -0.487 -7.326 -0.195 1.00 0.00 N ATOM 323 CA TRP A 580 -1.377 -7.295 0.961 1.00 0.00 C ATOM 324 C TRP A 580 -2.734 -7.906 0.628 1.00 0.00 C ATOM 325 O TRP A 580 -3.039 -8.170 -0.535 1.00 0.00 O ATOM 326 CB TRP A 580 -1.563 -5.854 1.437 1.00 0.00 C ATOM 327 CG TRP A 580 -2.204 -4.975 0.407 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.521 -4.621 0.336 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.559 -4.347 -0.707 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.733 -3.811 -0.754 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.544 -3.627 -1.409 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.243 -4.321 -1.175 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.253 -2.892 -2.556 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.044 -3.592 -2.314 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.957 -2.884 -2.992 1.00 0.00 C ATOM 0 H TRP A 580 -0.960 -7.242 -1.095 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.921 -7.886 1.755 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.174 -5.851 2.340 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.592 -5.439 1.708 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.284 -4.932 1.034 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.630 -3.412 -1.030 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.536 -4.860 -0.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -3.023 -2.348 -3.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.057 -3.568 -2.688 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.700 -2.321 -3.877 1.00 0.00 H new ATOM 346 N THR A 581 -3.546 -8.122 1.658 1.00 0.00 N ATOM 347 CA THR A 581 -4.873 -8.696 1.480 1.00 0.00 C ATOM 348 C THR A 581 -5.875 -7.631 1.048 1.00 0.00 C ATOM 349 O THR A 581 -6.159 -6.692 1.794 1.00 0.00 O ATOM 350 CB THR A 581 -5.375 -9.365 2.772 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.334 -10.164 3.346 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.591 -10.234 2.493 1.00 0.00 C ATOM 0 H THR A 581 -3.307 -7.907 2.626 1.00 0.00 H new ATOM 0 HA THR A 581 -4.790 -9.453 0.700 1.00 0.00 H new ATOM 0 HB THR A 581 -5.661 -8.581 3.474 1.00 0.00 H new ATOM 0 HG1 THR A 581 -4.661 -10.585 4.169 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.928 -10.697 3.421 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.392 -9.619 2.082 1.00 0.00 H new ATOM 0 HG23 THR A 581 -6.326 -11.011 1.776 1.00 0.00 H new ATOM 360 N ALA A 582 -6.406 -7.782 -0.162 1.00 0.00 N ATOM 361 CA ALA A 582 -7.375 -6.834 -0.698 1.00 0.00 C ATOM 362 C ALA A 582 -8.620 -6.757 0.180 1.00 0.00 C ATOM 363 O ALA A 582 -8.952 -7.708 0.889 1.00 0.00 O ATOM 364 CB ALA A 582 -7.753 -7.217 -2.122 1.00 0.00 C ATOM 0 H ALA A 582 -6.180 -8.553 -0.790 1.00 0.00 H new ATOM 0 HA ALA A 582 -6.912 -5.847 -0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -8.477 -6.501 -2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -6.862 -7.209 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.191 -8.215 -2.126 1.00 0.00 H new ATOM 370 N SER A 583 -9.303 -5.617 0.127 1.00 0.00 N ATOM 371 CA SER A 583 -10.512 -5.407 0.916 1.00 0.00 C ATOM 372 C SER A 583 -11.592 -6.416 0.536 1.00 0.00 C ATOM 373 O SER A 583 -11.858 -6.638 -0.646 1.00 0.00 O ATOM 374 CB SER A 583 -11.036 -3.984 0.715 1.00 0.00 C ATOM 375 OG SER A 583 -11.532 -3.803 -0.600 1.00 0.00 O ATOM 0 H SER A 583 -9.039 -4.823 -0.456 1.00 0.00 H new ATOM 0 HA SER A 583 -10.259 -5.550 1.967 1.00 0.00 H new ATOM 0 HB2 SER A 583 -11.827 -3.779 1.437 1.00 0.00 H new ATOM 0 HB3 SER A 583 -10.236 -3.268 0.907 1.00 0.00 H new ATOM 0 HG SER A 583 -10.817 -3.980 -1.247 1.00 0.00 H new ATOM 381 N THR A 584 -12.208 -7.024 1.544 1.00 0.00 N ATOM 382 CA THR A 584 -13.257 -8.010 1.318 1.00 0.00 C ATOM 383 C THR A 584 -14.544 -7.347 0.842 1.00 0.00 C ATOM 384 O THR A 584 -15.409 -7.998 0.256 1.00 0.00 O ATOM 385 CB THR A 584 -13.551 -8.820 2.593 1.00 0.00 C ATOM 386 OG1 THR A 584 -12.466 -8.689 3.519 1.00 0.00 O ATOM 387 CG2 THR A 584 -13.766 -10.290 2.265 1.00 0.00 C ATOM 0 H THR A 584 -11.998 -6.851 2.527 1.00 0.00 H new ATOM 0 HA THR A 584 -12.893 -8.685 0.544 1.00 0.00 H new ATOM 0 HB THR A 584 -14.463 -8.426 3.042 1.00 0.00 H new ATOM 0 HG1 THR A 584 -12.662 -9.206 4.328 1.00 0.00 H new ATOM 0 HG21 THR A 584 -13.972 -10.841 3.183 1.00 0.00 H new ATOM 0 HG22 THR A 584 -14.611 -10.391 1.584 1.00 0.00 H new ATOM 0 HG23 THR A 584 -12.869 -10.693 1.794 1.00 0.00 H new ATOM 395 N ASP A 585 -14.662 -6.048 1.095 1.00 0.00 N ATOM 396 CA ASP A 585 -15.843 -5.295 0.691 1.00 0.00 C ATOM 397 C ASP A 585 -15.672 -4.727 -0.715 1.00 0.00 C ATOM 398 O ASP A 585 -15.834 -3.527 -0.936 1.00 0.00 O ATOM 399 CB ASP A 585 -16.120 -4.166 1.683 1.00 0.00 C ATOM 400 CG ASP A 585 -16.718 -4.670 2.982 1.00 0.00 C ATOM 401 OD1 ASP A 585 -16.250 -5.712 3.487 1.00 0.00 O ATOM 402 OD2 ASP A 585 -17.655 -4.022 3.494 1.00 0.00 O ATOM 0 H ASP A 585 -13.954 -5.495 1.578 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.693 -5.977 0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -15.191 -3.637 1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -16.800 -3.446 1.229 1.00 0.00 H new ATOM 407 N ASN A 586 -15.345 -5.601 -1.661 1.00 0.00 N ATOM 408 CA ASN A 586 -15.153 -5.191 -3.048 1.00 0.00 C ATOM 409 C ASN A 586 -16.493 -4.858 -3.704 1.00 0.00 C ATOM 410 O ASN A 586 -17.422 -4.412 -3.032 1.00 0.00 O ATOM 411 CB ASN A 586 -14.437 -6.295 -3.832 1.00 0.00 C ATOM 412 CG ASN A 586 -15.265 -7.561 -3.946 1.00 0.00 C ATOM 413 OD1 ASN A 586 -16.203 -7.775 -3.178 1.00 0.00 O ATOM 414 ND2 ASN A 586 -14.919 -8.408 -4.907 1.00 0.00 N ATOM 0 H ASN A 586 -15.207 -6.598 -1.493 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.534 -4.294 -3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -14.199 -5.930 -4.831 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -13.491 -6.527 -3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -15.438 -9.277 -5.032 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -14.134 -8.190 -5.521 1.00 0.00 H new ATOM 421 N VAL A 587 -16.578 -5.070 -5.020 1.00 0.00 N ATOM 422 CA VAL A 587 -17.796 -4.794 -5.784 1.00 0.00 C ATOM 423 C VAL A 587 -18.037 -3.289 -5.930 1.00 0.00 C ATOM 424 O VAL A 587 -18.801 -2.856 -6.793 1.00 0.00 O ATOM 425 CB VAL A 587 -19.038 -5.479 -5.153 1.00 0.00 C ATOM 426 CG1 VAL A 587 -19.973 -4.466 -4.503 1.00 0.00 C ATOM 427 CG2 VAL A 587 -19.779 -6.296 -6.200 1.00 0.00 C ATOM 0 H VAL A 587 -15.809 -5.435 -5.582 1.00 0.00 H new ATOM 0 HA VAL A 587 -17.646 -5.215 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 587 -18.685 -6.147 -4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -20.830 -4.985 -4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -19.440 -3.932 -3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -20.319 -3.756 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -20.648 -6.771 -5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -20.106 -5.641 -7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -19.115 -7.062 -6.600 1.00 0.00 H new ATOM 437 N GLY A 588 -17.375 -2.501 -5.090 1.00 0.00 N ATOM 438 CA GLY A 588 -17.520 -1.059 -5.146 1.00 0.00 C ATOM 439 C GLY A 588 -16.179 -0.355 -5.112 1.00 0.00 C ATOM 440 O GLY A 588 -16.036 0.755 -5.625 1.00 0.00 O ATOM 0 H GLY A 588 -16.738 -2.838 -4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -18.052 -0.783 -6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -18.128 -0.722 -4.306 1.00 0.00 H new ATOM 444 N VAL A 589 -15.194 -1.010 -4.507 1.00 0.00 N ATOM 445 CA VAL A 589 -13.851 -0.455 -4.403 1.00 0.00 C ATOM 446 C VAL A 589 -13.197 -0.357 -5.778 1.00 0.00 C ATOM 447 O VAL A 589 -13.423 -1.203 -6.644 1.00 0.00 O ATOM 448 CB VAL A 589 -12.966 -1.313 -3.474 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.558 -0.744 -3.387 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.593 -1.412 -2.090 1.00 0.00 C ATOM 0 H VAL A 589 -15.302 -1.930 -4.080 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.943 0.545 -3.978 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.897 -2.316 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.954 -1.366 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -11.110 -0.728 -4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.599 0.271 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.958 -2.020 -1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.693 -0.414 -1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.577 -1.873 -2.169 1.00 0.00 H new ATOM 460 N THR A 590 -12.391 0.681 -5.976 1.00 0.00 N ATOM 461 CA THR A 590 -11.713 0.888 -7.250 1.00 0.00 C ATOM 462 C THR A 590 -10.269 0.403 -7.199 1.00 0.00 C ATOM 463 O THR A 590 -9.908 -0.562 -7.872 1.00 0.00 O ATOM 464 CB THR A 590 -11.731 2.372 -7.661 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.774 3.205 -6.497 1.00 0.00 O ATOM 466 CG2 THR A 590 -12.930 2.670 -8.548 1.00 0.00 C ATOM 0 H THR A 590 -12.192 1.391 -5.271 1.00 0.00 H new ATOM 0 HA THR A 590 -12.258 0.305 -7.992 1.00 0.00 H new ATOM 0 HB THR A 590 -10.820 2.582 -8.222 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.783 4.147 -6.769 1.00 0.00 H new ATOM 0 HG21 THR A 590 -12.923 3.724 -8.827 1.00 0.00 H new ATOM 0 HG22 THR A 590 -12.879 2.056 -9.447 1.00 0.00 H new ATOM 0 HG23 THR A 590 -13.848 2.444 -8.006 1.00 0.00 H new ATOM 474 N GLY A 591 -9.443 1.079 -6.405 1.00 0.00 N ATOM 475 CA GLY A 591 -8.048 0.695 -6.294 1.00 0.00 C ATOM 476 C GLY A 591 -7.497 0.871 -4.894 1.00 0.00 C ATOM 477 O GLY A 591 -8.238 1.177 -3.959 1.00 0.00 O ATOM 0 H GLY A 591 -9.714 1.883 -5.839 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.939 -0.347 -6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.456 1.290 -6.989 1.00 0.00 H new ATOM 481 N TYR A 592 -6.189 0.675 -4.750 1.00 0.00 N ATOM 482 CA TYR A 592 -5.529 0.810 -3.458 1.00 0.00 C ATOM 483 C TYR A 592 -4.360 1.787 -3.544 1.00 0.00 C ATOM 484 O TYR A 592 -3.519 1.687 -4.437 1.00 0.00 O ATOM 485 CB TYR A 592 -5.036 -0.554 -2.971 1.00 0.00 C ATOM 486 CG TYR A 592 -6.138 -1.583 -2.839 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.614 -2.266 -3.951 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.705 -1.868 -1.603 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.623 -3.204 -3.835 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.713 -2.805 -1.479 1.00 0.00 C ATOM 491 CZ TYR A 592 -8.168 -3.469 -2.598 1.00 0.00 C ATOM 492 OH TYR A 592 -9.173 -4.402 -2.479 1.00 0.00 O ATOM 0 H TYR A 592 -5.565 0.421 -5.516 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.254 1.202 -2.745 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.282 -0.928 -3.664 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.547 -0.431 -2.005 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.189 -2.061 -4.922 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -6.352 -1.348 -0.724 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -7.982 -3.726 -4.710 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -8.142 -3.016 -0.511 1.00 0.00 H new ATOM 0 HH TYR A 592 -9.542 -4.600 -3.365 1.00 0.00 H new ATOM 502 N ASP A 593 -4.314 2.730 -2.608 1.00 0.00 N ATOM 503 CA ASP A 593 -3.249 3.725 -2.574 1.00 0.00 C ATOM 504 C ASP A 593 -2.330 3.488 -1.383 1.00 0.00 C ATOM 505 O ASP A 593 -2.773 3.505 -0.235 1.00 0.00 O ATOM 506 CB ASP A 593 -3.840 5.134 -2.498 1.00 0.00 C ATOM 507 CG ASP A 593 -3.491 5.976 -3.709 1.00 0.00 C ATOM 508 OD1 ASP A 593 -3.110 5.394 -4.747 1.00 0.00 O ATOM 509 OD2 ASP A 593 -3.596 7.218 -3.622 1.00 0.00 O ATOM 0 H ASP A 593 -5.003 2.826 -1.862 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.667 3.631 -3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -4.924 5.065 -2.407 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.476 5.629 -1.598 1.00 0.00 H new ATOM 514 N VAL A 594 -1.047 3.266 -1.658 1.00 0.00 N ATOM 515 CA VAL A 594 -0.082 3.028 -0.596 1.00 0.00 C ATOM 516 C VAL A 594 0.707 4.298 -0.287 1.00 0.00 C ATOM 517 O VAL A 594 1.134 5.013 -1.193 1.00 0.00 O ATOM 518 CB VAL A 594 0.880 1.866 -0.948 1.00 0.00 C ATOM 519 CG1 VAL A 594 0.909 1.628 -2.445 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.285 2.118 -0.411 1.00 0.00 C ATOM 0 H VAL A 594 -0.657 3.247 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.641 2.739 0.294 1.00 0.00 H new ATOM 0 HB VAL A 594 0.501 0.966 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.591 0.808 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 594 -0.092 1.373 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.249 2.532 -2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 594 2.932 1.282 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.681 3.036 -0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.248 2.217 0.674 1.00 0.00 H new ATOM 530 N TYR A 595 0.883 4.574 1.001 1.00 0.00 N ATOM 531 CA TYR A 595 1.605 5.760 1.443 1.00 0.00 C ATOM 532 C TYR A 595 3.042 5.420 1.822 1.00 0.00 C ATOM 533 O TYR A 595 3.436 4.253 1.829 1.00 0.00 O ATOM 534 CB TYR A 595 0.898 6.387 2.647 1.00 0.00 C ATOM 535 CG TYR A 595 -0.513 6.858 2.361 1.00 0.00 C ATOM 536 CD1 TYR A 595 -1.583 5.974 2.423 1.00 0.00 C ATOM 537 CD2 TYR A 595 -0.772 8.181 2.020 1.00 0.00 C ATOM 538 CE1 TYR A 595 -2.873 6.395 2.156 1.00 0.00 C ATOM 539 CE2 TYR A 595 -2.060 8.609 1.751 1.00 0.00 C ATOM 540 CZ TYR A 595 -3.105 7.731 1.849 1.00 0.00 C ATOM 541 OH TYR A 595 -4.387 8.134 1.554 1.00 0.00 O ATOM 0 H TYR A 595 0.533 3.989 1.760 1.00 0.00 H new ATOM 0 HA TYR A 595 1.622 6.469 0.615 1.00 0.00 H new ATOM 0 HB2 TYR A 595 0.869 5.658 3.457 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.487 7.233 3.000 1.00 0.00 H new ATOM 0 HD1 TYR A 595 -1.404 4.941 2.684 1.00 0.00 H new ATOM 0 HD2 TYR A 595 0.045 8.885 1.964 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -3.693 5.692 2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -2.240 9.634 1.464 1.00 0.00 H new ATOM 0 HH TYR A 595 -4.392 9.095 1.361 1.00 0.00 H new ATOM 551 N ASN A 596 3.816 6.451 2.140 1.00 0.00 N ATOM 552 CA ASN A 596 5.209 6.279 2.529 1.00 0.00 C ATOM 553 C ASN A 596 5.564 7.232 3.667 1.00 0.00 C ATOM 554 O ASN A 596 6.083 8.324 3.437 1.00 0.00 O ATOM 555 CB ASN A 596 6.127 6.520 1.328 1.00 0.00 C ATOM 556 CG ASN A 596 7.593 6.546 1.712 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.083 5.651 2.401 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.303 7.575 1.263 1.00 0.00 N ATOM 0 H ASN A 596 3.499 7.420 2.136 1.00 0.00 H new ATOM 0 HA ASN A 596 5.350 5.256 2.877 1.00 0.00 H new ATOM 0 HB2 ASN A 596 5.963 5.738 0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 596 5.862 7.466 0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.296 7.646 1.486 1.00 0.00 H new ATOM 0 HD22 ASN A 596 7.855 8.294 0.695 1.00 0.00 H new ATOM 565 N GLY A 597 5.270 6.816 4.895 1.00 0.00 N ATOM 566 CA GLY A 597 5.556 7.647 6.050 1.00 0.00 C ATOM 567 C GLY A 597 4.436 8.628 6.343 1.00 0.00 C ATOM 568 O GLY A 597 3.766 8.525 7.369 1.00 0.00 O ATOM 0 H GLY A 597 4.838 5.917 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 597 5.717 7.012 6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 597 6.482 8.196 5.880 1.00 0.00 H new ATOM 572 N THR A 598 4.231 9.576 5.431 1.00 0.00 N ATOM 573 CA THR A 598 3.184 10.581 5.582 1.00 0.00 C ATOM 574 C THR A 598 2.892 11.265 4.251 1.00 0.00 C ATOM 575 O THR A 598 2.534 12.443 4.210 1.00 0.00 O ATOM 576 CB THR A 598 3.568 11.652 6.619 1.00 0.00 C ATOM 577 OG1 THR A 598 4.993 11.762 6.708 1.00 0.00 O ATOM 578 CG2 THR A 598 2.990 11.321 7.986 1.00 0.00 C ATOM 0 H THR A 598 4.780 9.668 4.576 1.00 0.00 H new ATOM 0 HA THR A 598 2.293 10.058 5.930 1.00 0.00 H new ATOM 0 HB THR A 598 3.152 12.605 6.292 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.228 12.447 7.369 1.00 0.00 H new ATOM 0 HG21 THR A 598 3.277 12.094 8.699 1.00 0.00 H new ATOM 0 HG22 THR A 598 1.903 11.274 7.920 1.00 0.00 H new ATOM 0 HG23 THR A 598 3.375 10.358 8.320 1.00 0.00 H new ATOM 586 N ALA A 599 3.050 10.518 3.164 1.00 0.00 N ATOM 587 CA ALA A 599 2.808 11.048 1.827 1.00 0.00 C ATOM 588 C ALA A 599 2.519 9.925 0.836 1.00 0.00 C ATOM 589 O ALA A 599 3.184 8.888 0.848 1.00 0.00 O ATOM 590 CB ALA A 599 4.001 11.870 1.366 1.00 0.00 C ATOM 0 H ALA A 599 3.345 9.542 3.183 1.00 0.00 H new ATOM 0 HA ALA A 599 1.930 11.693 1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 599 3.809 12.261 0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 599 4.160 12.699 2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 599 4.890 11.240 1.345 1.00 0.00 H new ATOM 596 N LEU A 600 1.523 10.137 -0.019 1.00 0.00 N ATOM 597 CA LEU A 600 1.143 9.141 -1.017 1.00 0.00 C ATOM 598 C LEU A 600 2.327 8.770 -1.905 1.00 0.00 C ATOM 599 O LEU A 600 3.077 9.637 -2.353 1.00 0.00 O ATOM 600 CB LEU A 600 -0.010 9.661 -1.878 1.00 0.00 C ATOM 601 CG LEU A 600 -0.901 8.583 -2.503 1.00 0.00 C ATOM 602 CD1 LEU A 600 -0.269 8.041 -3.774 1.00 0.00 C ATOM 603 CD2 LEU A 600 -1.172 7.453 -1.517 1.00 0.00 C ATOM 0 H LEU A 600 0.964 10.990 -0.041 1.00 0.00 H new ATOM 0 HA LEU A 600 0.818 8.246 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.633 10.313 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.404 10.275 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 600 -1.856 9.043 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -0.916 7.276 -4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -0.140 8.852 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 600 0.702 7.605 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -1.807 6.703 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -0.228 6.995 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 600 -1.675 7.852 -0.636 1.00 0.00 H new ATOM 615 N ALA A 601 2.483 7.475 -2.156 1.00 0.00 N ATOM 616 CA ALA A 601 3.569 6.981 -2.992 1.00 0.00 C ATOM 617 C ALA A 601 3.038 6.460 -4.327 1.00 0.00 C ATOM 618 O ALA A 601 2.684 7.244 -5.208 1.00 0.00 O ATOM 619 CB ALA A 601 4.348 5.898 -2.258 1.00 0.00 C ATOM 0 H ALA A 601 1.869 6.747 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 601 4.245 7.810 -3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.157 5.537 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 601 4.765 6.309 -1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 601 3.681 5.071 -2.015 1.00 0.00 H new ATOM 625 N THR A 602 2.980 5.137 -4.472 1.00 0.00 N ATOM 626 CA THR A 602 2.488 4.528 -5.701 1.00 0.00 C ATOM 627 C THR A 602 0.983 4.286 -5.637 1.00 0.00 C ATOM 628 O THR A 602 0.381 4.294 -4.558 1.00 0.00 O ATOM 629 CB THR A 602 3.203 3.195 -6.002 1.00 0.00 C ATOM 630 OG1 THR A 602 2.664 2.605 -7.190 1.00 0.00 O ATOM 631 CG2 THR A 602 3.057 2.226 -4.841 1.00 0.00 C ATOM 0 H THR A 602 3.267 4.471 -3.755 1.00 0.00 H new ATOM 0 HA THR A 602 2.704 5.232 -6.504 1.00 0.00 H new ATOM 0 HB THR A 602 4.262 3.405 -6.149 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.343 2.037 -7.610 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.570 1.294 -5.078 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.496 2.664 -3.944 1.00 0.00 H new ATOM 0 HG23 THR A 602 2.000 2.024 -4.666 1.00 0.00 H new ATOM 639 N THR A 603 0.385 4.068 -6.804 1.00 0.00 N ATOM 640 CA THR A 603 -1.047 3.822 -6.906 1.00 0.00 C ATOM 641 C THR A 603 -1.317 2.537 -7.680 1.00 0.00 C ATOM 642 O THR A 603 -0.756 2.320 -8.754 1.00 0.00 O ATOM 643 CB THR A 603 -1.770 4.992 -7.603 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.567 6.203 -6.864 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.261 4.716 -7.730 1.00 0.00 C ATOM 0 H THR A 603 0.876 4.057 -7.698 1.00 0.00 H new ATOM 0 HA THR A 603 -1.432 3.725 -5.891 1.00 0.00 H new ATOM 0 HB THR A 603 -1.352 5.100 -8.604 1.00 0.00 H new ATOM 0 HG1 THR A 603 -2.052 6.153 -6.014 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.746 5.557 -8.225 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.415 3.811 -8.318 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.692 4.581 -6.738 1.00 0.00 H new ATOM 653 N VAL A 604 -2.172 1.686 -7.127 1.00 0.00 N ATOM 654 CA VAL A 604 -2.505 0.422 -7.767 1.00 0.00 C ATOM 655 C VAL A 604 -4.005 0.156 -7.721 1.00 0.00 C ATOM 656 O VAL A 604 -4.772 0.963 -7.195 1.00 0.00 O ATOM 657 CB VAL A 604 -1.760 -0.750 -7.102 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.272 -0.666 -7.402 1.00 0.00 C ATOM 659 CG2 VAL A 604 -2.006 -0.762 -5.601 1.00 0.00 C ATOM 0 H VAL A 604 -2.646 1.849 -6.239 1.00 0.00 H new ATOM 0 HA VAL A 604 -2.192 0.500 -8.808 1.00 0.00 H new ATOM 0 HB VAL A 604 -2.144 -1.683 -7.515 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.243 -1.500 -6.926 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -0.115 -0.710 -8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.125 0.273 -7.016 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.470 -1.598 -5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.651 0.172 -5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -3.073 -0.869 -5.408 1.00 0.00 H new ATOM 669 N THR A 605 -4.417 -0.978 -8.279 1.00 0.00 N ATOM 670 CA THR A 605 -5.827 -1.353 -8.305 1.00 0.00 C ATOM 671 C THR A 605 -6.007 -2.828 -7.964 1.00 0.00 C ATOM 672 O THR A 605 -7.131 -3.312 -7.833 1.00 0.00 O ATOM 673 CB THR A 605 -6.459 -1.079 -9.683 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.888 -1.948 -10.668 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.253 0.370 -10.100 1.00 0.00 C ATOM 0 H THR A 605 -3.794 -1.654 -8.720 1.00 0.00 H new ATOM 0 HA THR A 605 -6.330 -0.742 -7.556 1.00 0.00 H new ATOM 0 HB THR A 605 -7.530 -1.269 -9.607 1.00 0.00 H new ATOM 0 HG1 THR A 605 -6.297 -1.768 -11.540 1.00 0.00 H new ATOM 0 HG21 THR A 605 -6.709 0.536 -11.076 1.00 0.00 H new ATOM 0 HG22 THR A 605 -6.717 1.029 -9.366 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.186 0.584 -10.157 1.00 0.00 H new ATOM 683 N GLY A 606 -4.890 -3.537 -7.825 1.00 0.00 N ATOM 684 CA GLY A 606 -4.940 -4.951 -7.502 1.00 0.00 C ATOM 685 C GLY A 606 -4.561 -5.233 -6.061 1.00 0.00 C ATOM 686 O GLY A 606 -5.158 -4.683 -5.136 1.00 0.00 O ATOM 0 H GLY A 606 -3.950 -3.156 -7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.945 -5.328 -7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.267 -5.495 -8.164 1.00 0.00 H new ATOM 690 N THR A 607 -3.564 -6.091 -5.871 1.00 0.00 N ATOM 691 CA THR A 607 -3.105 -6.445 -4.532 1.00 0.00 C ATOM 692 C THR A 607 -1.592 -6.299 -4.415 1.00 0.00 C ATOM 693 O THR A 607 -0.994 -6.718 -3.423 1.00 0.00 O ATOM 694 CB THR A 607 -3.499 -7.888 -4.164 1.00 0.00 C ATOM 695 OG1 THR A 607 -2.889 -8.811 -5.073 1.00 0.00 O ATOM 696 CG2 THR A 607 -5.010 -8.062 -4.196 1.00 0.00 C ATOM 0 H THR A 607 -3.059 -6.554 -6.626 1.00 0.00 H new ATOM 0 HA THR A 607 -3.590 -5.757 -3.840 1.00 0.00 H new ATOM 0 HB THR A 607 -3.147 -8.089 -3.152 1.00 0.00 H new ATOM 0 HG1 THR A 607 -3.144 -9.726 -4.830 1.00 0.00 H new ATOM 0 HG21 THR A 607 -5.264 -9.089 -3.933 1.00 0.00 H new ATOM 0 HG22 THR A 607 -5.470 -7.380 -3.481 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.380 -7.842 -5.197 1.00 0.00 H new ATOM 704 N THR A 608 -0.980 -5.702 -5.432 1.00 0.00 N ATOM 705 CA THR A 608 0.464 -5.500 -5.444 1.00 0.00 C ATOM 706 C THR A 608 0.821 -4.099 -5.932 1.00 0.00 C ATOM 707 O THR A 608 0.226 -3.593 -6.882 1.00 0.00 O ATOM 708 CB THR A 608 1.168 -6.534 -6.340 1.00 0.00 C ATOM 709 OG1 THR A 608 0.527 -6.593 -7.620 1.00 0.00 O ATOM 710 CG2 THR A 608 1.146 -7.912 -5.695 1.00 0.00 C ATOM 0 H THR A 608 -1.462 -5.349 -6.259 1.00 0.00 H new ATOM 0 HA THR A 608 0.807 -5.624 -4.417 1.00 0.00 H new ATOM 0 HB THR A 608 2.205 -6.224 -6.467 1.00 0.00 H new ATOM 0 HG1 THR A 608 0.983 -7.252 -8.184 1.00 0.00 H new ATOM 0 HG21 THR A 608 1.649 -8.627 -6.346 1.00 0.00 H new ATOM 0 HG22 THR A 608 1.660 -7.872 -4.734 1.00 0.00 H new ATOM 0 HG23 THR A 608 0.113 -8.226 -5.542 1.00 0.00 H new ATOM 718 N ALA A 609 1.801 -3.481 -5.277 1.00 0.00 N ATOM 719 CA ALA A 609 2.244 -2.139 -5.642 1.00 0.00 C ATOM 720 C ALA A 609 3.737 -2.123 -5.951 1.00 0.00 C ATOM 721 O ALA A 609 4.487 -2.977 -5.477 1.00 0.00 O ATOM 722 CB ALA A 609 1.924 -1.157 -4.525 1.00 0.00 C ATOM 0 H ALA A 609 2.304 -3.890 -4.489 1.00 0.00 H new ATOM 0 HA ALA A 609 1.708 -1.836 -6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.260 -0.160 -4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.848 -1.142 -4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.435 -1.465 -3.613 1.00 0.00 H new ATOM 728 N THR A 610 4.165 -1.147 -6.745 1.00 0.00 N ATOM 729 CA THR A 610 5.571 -1.026 -7.114 1.00 0.00 C ATOM 730 C THR A 610 6.083 0.392 -6.876 1.00 0.00 C ATOM 731 O THR A 610 5.514 1.361 -7.378 1.00 0.00 O ATOM 732 CB THR A 610 5.802 -1.402 -8.589 1.00 0.00 C ATOM 733 OG1 THR A 610 5.006 -2.541 -8.936 1.00 0.00 O ATOM 734 CG2 THR A 610 7.271 -1.709 -8.846 1.00 0.00 C ATOM 0 H THR A 610 3.560 -0.430 -7.145 1.00 0.00 H new ATOM 0 HA THR A 610 6.123 -1.720 -6.480 1.00 0.00 H new ATOM 0 HB THR A 610 5.510 -0.553 -9.206 1.00 0.00 H new ATOM 0 HG1 THR A 610 5.158 -2.772 -9.876 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.410 -1.972 -9.895 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.873 -0.832 -8.609 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.584 -2.543 -8.218 1.00 0.00 H new ATOM 742 N ILE A 611 7.163 0.502 -6.106 1.00 0.00 N ATOM 743 CA ILE A 611 7.756 1.799 -5.800 1.00 0.00 C ATOM 744 C ILE A 611 9.212 1.856 -6.253 1.00 0.00 C ATOM 745 O ILE A 611 10.045 1.072 -5.799 1.00 0.00 O ATOM 746 CB ILE A 611 7.686 2.107 -4.290 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.258 1.923 -3.776 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.173 3.522 -4.013 1.00 0.00 C ATOM 749 CD1 ILE A 611 6.146 0.923 -2.645 1.00 0.00 C ATOM 0 H ILE A 611 7.644 -0.292 -5.683 1.00 0.00 H new ATOM 0 HA ILE A 611 7.179 2.548 -6.342 1.00 0.00 H new ATOM 0 HB ILE A 611 8.337 1.409 -3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 611 5.875 2.886 -3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.623 1.599 -4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.117 3.723 -2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.205 3.624 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.546 4.234 -4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 611 5.105 0.844 -2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.498 -0.051 -2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.754 1.255 -1.804 1.00 0.00 H new ATOM 761 N SER A 612 9.511 2.788 -7.154 1.00 0.00 N ATOM 762 CA SER A 612 10.866 2.947 -7.673 1.00 0.00 C ATOM 763 C SER A 612 11.522 4.205 -7.114 1.00 0.00 C ATOM 764 O SER A 612 10.879 5.001 -6.427 1.00 0.00 O ATOM 765 CB SER A 612 10.841 3.011 -9.202 1.00 0.00 C ATOM 766 OG SER A 612 10.994 1.721 -9.770 1.00 0.00 O ATOM 0 H SER A 612 8.833 3.445 -7.540 1.00 0.00 H new ATOM 0 HA SER A 612 11.452 2.084 -7.358 1.00 0.00 H new ATOM 0 HB2 SER A 612 9.900 3.449 -9.535 1.00 0.00 H new ATOM 0 HB3 SER A 612 11.639 3.664 -9.555 1.00 0.00 H new ATOM 0 HG SER A 612 10.973 1.789 -10.747 1.00 0.00 H new ATOM 772 N GLY A 613 12.805 4.380 -7.417 1.00 0.00 N ATOM 773 CA GLY A 613 13.531 5.545 -6.944 1.00 0.00 C ATOM 774 C GLY A 613 13.682 5.565 -5.435 1.00 0.00 C ATOM 775 O GLY A 613 13.235 6.500 -4.772 1.00 0.00 O ATOM 0 H GLY A 613 13.356 3.734 -7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 613 14.519 5.565 -7.405 1.00 0.00 H new ATOM 0 HA3 GLY A 613 13.011 6.448 -7.265 1.00 0.00 H new ATOM 779 N LEU A 614 14.314 4.529 -4.892 1.00 0.00 N ATOM 780 CA LEU A 614 14.524 4.429 -3.453 1.00 0.00 C ATOM 781 C LEU A 614 16.012 4.389 -3.119 1.00 0.00 C ATOM 782 O LEU A 614 16.708 3.435 -3.464 1.00 0.00 O ATOM 783 CB LEU A 614 13.833 3.181 -2.906 1.00 0.00 C ATOM 784 CG LEU A 614 12.310 3.177 -3.022 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.784 1.753 -3.108 1.00 0.00 C ATOM 786 CD2 LEU A 614 11.696 3.901 -1.840 1.00 0.00 C ATOM 0 H LEU A 614 14.690 3.747 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 614 14.091 5.313 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 614 14.224 2.309 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.102 3.067 -1.856 1.00 0.00 H new ATOM 0 HG LEU A 614 12.028 3.699 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.697 1.771 -3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 614 12.206 1.262 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 614 12.071 1.204 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.610 3.893 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 614 11.986 3.400 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 614 12.050 4.932 -1.820 1.00 0.00 H new ATOM 798 N ALA A 615 16.492 5.429 -2.444 1.00 0.00 N ATOM 799 CA ALA A 615 17.898 5.510 -2.064 1.00 0.00 C ATOM 800 C ALA A 615 18.260 4.413 -1.068 1.00 0.00 C ATOM 801 O ALA A 615 17.539 4.179 -0.100 1.00 0.00 O ATOM 802 CB ALA A 615 18.211 6.881 -1.482 1.00 0.00 C ATOM 0 H ALA A 615 15.929 6.227 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 615 18.501 5.364 -2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.264 6.926 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 615 17.999 7.649 -2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.594 7.051 -0.599 1.00 0.00 H new ATOM 808 N ALA A 616 19.383 3.742 -1.315 1.00 0.00 N ATOM 809 CA ALA A 616 19.841 2.668 -0.442 1.00 0.00 C ATOM 810 C ALA A 616 20.249 3.205 0.925 1.00 0.00 C ATOM 811 O ALA A 616 20.291 4.417 1.139 1.00 0.00 O ATOM 812 CB ALA A 616 21.002 1.923 -1.086 1.00 0.00 C ATOM 0 H ALA A 616 19.991 3.924 -2.113 1.00 0.00 H new ATOM 0 HA ALA A 616 19.013 1.974 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.334 1.124 -0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.679 1.496 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.826 2.615 -1.261 1.00 0.00 H new ATOM 818 N ASP A 617 20.550 2.293 1.847 1.00 0.00 N ATOM 819 CA ASP A 617 20.957 2.668 3.198 1.00 0.00 C ATOM 820 C ASP A 617 19.889 3.521 3.875 1.00 0.00 C ATOM 821 O ASP A 617 20.202 4.432 4.643 1.00 0.00 O ATOM 822 CB ASP A 617 22.287 3.426 3.162 1.00 0.00 C ATOM 823 CG ASP A 617 23.352 2.769 4.017 1.00 0.00 C ATOM 824 OD1 ASP A 617 23.185 1.580 4.366 1.00 0.00 O ATOM 825 OD2 ASP A 617 24.353 3.442 4.339 1.00 0.00 O ATOM 0 H ASP A 617 20.519 1.287 1.682 1.00 0.00 H new ATOM 0 HA ASP A 617 21.084 1.753 3.777 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.639 3.487 2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.129 4.448 3.506 1.00 0.00 H new ATOM 830 N THR A 618 18.626 3.221 3.585 1.00 0.00 N ATOM 831 CA THR A 618 17.514 3.962 4.167 1.00 0.00 C ATOM 832 C THR A 618 16.361 3.037 4.538 1.00 0.00 C ATOM 833 O THR A 618 16.069 2.075 3.828 1.00 0.00 O ATOM 834 CB THR A 618 16.994 5.040 3.198 1.00 0.00 C ATOM 835 OG1 THR A 618 18.095 5.727 2.591 1.00 0.00 O ATOM 836 CG2 THR A 618 16.106 6.038 3.925 1.00 0.00 C ATOM 0 H THR A 618 18.349 2.471 2.952 1.00 0.00 H new ATOM 0 HA THR A 618 17.895 4.440 5.070 1.00 0.00 H new ATOM 0 HB THR A 618 16.404 4.548 2.425 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.606 5.101 2.037 1.00 0.00 H new ATOM 0 HG21 THR A 618 15.751 6.790 3.220 1.00 0.00 H new ATOM 0 HG22 THR A 618 15.253 5.517 4.360 1.00 0.00 H new ATOM 0 HG23 THR A 618 16.677 6.524 4.716 1.00 0.00 H new ATOM 844 N SER A 619 15.704 3.340 5.654 1.00 0.00 N ATOM 845 CA SER A 619 14.574 2.543 6.121 1.00 0.00 C ATOM 846 C SER A 619 13.256 3.215 5.748 1.00 0.00 C ATOM 847 O SER A 619 12.925 4.281 6.267 1.00 0.00 O ATOM 848 CB SER A 619 14.650 2.347 7.636 1.00 0.00 C ATOM 849 OG SER A 619 13.922 1.199 8.038 1.00 0.00 O ATOM 0 H SER A 619 15.935 4.133 6.252 1.00 0.00 H new ATOM 0 HA SER A 619 14.619 1.568 5.637 1.00 0.00 H new ATOM 0 HB2 SER A 619 15.692 2.247 7.941 1.00 0.00 H new ATOM 0 HB3 SER A 619 14.254 3.228 8.140 1.00 0.00 H new ATOM 0 HG SER A 619 13.987 1.094 9.010 1.00 0.00 H new ATOM 855 N TYR A 620 12.515 2.591 4.837 1.00 0.00 N ATOM 856 CA TYR A 620 11.240 3.136 4.386 1.00 0.00 C ATOM 857 C TYR A 620 10.061 2.368 4.978 1.00 0.00 C ATOM 858 O TYR A 620 9.984 1.145 4.869 1.00 0.00 O ATOM 859 CB TYR A 620 11.163 3.098 2.860 1.00 0.00 C ATOM 860 CG TYR A 620 12.196 3.966 2.177 1.00 0.00 C ATOM 861 CD1 TYR A 620 12.168 5.349 2.311 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.196 3.402 1.396 1.00 0.00 C ATOM 863 CE1 TYR A 620 13.109 6.144 1.686 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.142 4.191 0.769 1.00 0.00 C ATOM 865 CZ TYR A 620 14.094 5.561 0.917 1.00 0.00 C ATOM 866 OH TYR A 620 15.032 6.350 0.292 1.00 0.00 O ATOM 0 H TYR A 620 12.776 1.708 4.397 1.00 0.00 H new ATOM 0 HA TYR A 620 11.181 4.168 4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.287 2.068 2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.169 3.417 2.547 1.00 0.00 H new ATOM 0 HD1 TYR A 620 11.399 5.809 2.913 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.235 2.329 1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 620 13.073 7.217 1.799 1.00 0.00 H new ATOM 0 HE2 TYR A 620 14.915 3.737 0.166 1.00 0.00 H new ATOM 0 HH TYR A 620 15.826 5.814 0.087 1.00 0.00 H new ATOM 876 N THR A 621 9.138 3.101 5.591 1.00 0.00 N ATOM 877 CA THR A 621 7.950 2.501 6.185 1.00 0.00 C ATOM 878 C THR A 621 6.732 2.758 5.304 1.00 0.00 C ATOM 879 O THR A 621 6.270 3.893 5.185 1.00 0.00 O ATOM 880 CB THR A 621 7.683 3.054 7.597 1.00 0.00 C ATOM 881 OG1 THR A 621 8.733 3.953 7.978 1.00 0.00 O ATOM 882 CG2 THR A 621 7.589 1.924 8.611 1.00 0.00 C ATOM 0 H THR A 621 9.191 4.115 5.689 1.00 0.00 H new ATOM 0 HA THR A 621 8.129 1.429 6.263 1.00 0.00 H new ATOM 0 HB THR A 621 6.733 3.589 7.580 1.00 0.00 H new ATOM 0 HG1 THR A 621 8.555 4.302 8.876 1.00 0.00 H new ATOM 0 HG21 THR A 621 7.400 2.339 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 621 6.773 1.255 8.336 1.00 0.00 H new ATOM 0 HG23 THR A 621 8.526 1.367 8.623 1.00 0.00 H new ATOM 890 N PHE A 622 6.231 1.703 4.669 1.00 0.00 N ATOM 891 CA PHE A 622 5.083 1.826 3.778 1.00 0.00 C ATOM 892 C PHE A 622 3.791 1.346 4.432 1.00 0.00 C ATOM 893 O PHE A 622 3.808 0.608 5.416 1.00 0.00 O ATOM 894 CB PHE A 622 5.328 1.037 2.491 1.00 0.00 C ATOM 895 CG PHE A 622 6.487 1.548 1.683 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.425 2.788 1.068 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.635 0.788 1.540 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.489 3.260 0.323 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.703 1.254 0.797 1.00 0.00 C ATOM 900 CZ PHE A 622 8.629 2.490 0.185 1.00 0.00 C ATOM 0 H PHE A 622 6.601 0.756 4.755 1.00 0.00 H new ATOM 0 HA PHE A 622 4.967 2.885 3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.505 -0.008 2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.427 1.069 1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.536 3.392 1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.697 -0.180 2.014 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.430 4.229 -0.151 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.594 0.653 0.695 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.460 2.854 -0.400 1.00 0.00 H new ATOM 910 N THR A 623 2.675 1.768 3.850 1.00 0.00 N ATOM 911 CA THR A 623 1.350 1.395 4.328 1.00 0.00 C ATOM 912 C THR A 623 0.373 1.383 3.161 1.00 0.00 C ATOM 913 O THR A 623 0.534 2.144 2.209 1.00 0.00 O ATOM 914 CB THR A 623 0.837 2.368 5.407 1.00 0.00 C ATOM 915 OG1 THR A 623 1.209 3.710 5.074 1.00 0.00 O ATOM 916 CG2 THR A 623 1.396 2.007 6.775 1.00 0.00 C ATOM 0 H THR A 623 2.663 2.379 3.033 1.00 0.00 H new ATOM 0 HA THR A 623 1.424 0.403 4.773 1.00 0.00 H new ATOM 0 HB THR A 623 -0.250 2.291 5.445 1.00 0.00 H new ATOM 0 HG1 THR A 623 0.878 4.322 5.764 1.00 0.00 H new ATOM 0 HG21 THR A 623 1.019 2.709 7.519 1.00 0.00 H new ATOM 0 HG22 THR A 623 1.086 0.996 7.040 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.485 2.057 6.748 1.00 0.00 H new ATOM 924 N VAL A 624 -0.632 0.519 3.221 1.00 0.00 N ATOM 925 CA VAL A 624 -1.608 0.433 2.142 1.00 0.00 C ATOM 926 C VAL A 624 -2.970 0.961 2.569 1.00 0.00 C ATOM 927 O VAL A 624 -3.327 0.918 3.746 1.00 0.00 O ATOM 928 CB VAL A 624 -1.761 -1.009 1.622 1.00 0.00 C ATOM 929 CG1 VAL A 624 -0.924 -1.206 0.367 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.375 -2.016 2.694 1.00 0.00 C ATOM 0 H VAL A 624 -0.792 -0.125 3.995 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.225 1.059 1.336 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.808 -1.176 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.040 -2.229 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.256 -0.511 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 624 0.125 -1.019 0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.491 -3.027 2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.337 -1.857 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -2.020 -1.887 3.563 1.00 0.00 H new ATOM 940 N LYS A 625 -3.722 1.469 1.598 1.00 0.00 N ATOM 941 CA LYS A 625 -5.045 2.022 1.855 1.00 0.00 C ATOM 942 C LYS A 625 -6.023 1.637 0.749 1.00 0.00 C ATOM 943 O LYS A 625 -5.630 1.454 -0.402 1.00 0.00 O ATOM 944 CB LYS A 625 -4.959 3.540 1.969 1.00 0.00 C ATOM 945 CG LYS A 625 -4.953 4.035 3.404 1.00 0.00 C ATOM 946 CD LYS A 625 -6.129 4.952 3.666 1.00 0.00 C ATOM 947 CE LYS A 625 -5.935 5.764 4.935 1.00 0.00 C ATOM 948 NZ LYS A 625 -6.910 6.885 5.031 1.00 0.00 N ATOM 0 H LYS A 625 -3.434 1.509 0.620 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.413 1.609 2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.053 3.884 1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -5.803 3.985 1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.991 3.185 4.086 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -4.022 4.565 3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.261 5.626 2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -7.041 4.360 3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -6.043 5.113 5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -4.921 6.162 4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -6.702 7.455 5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -6.836 7.483 4.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -7.874 6.501 5.101 1.00 0.00 H new ATOM 962 N ALA A 626 -7.300 1.519 1.105 1.00 0.00 N ATOM 963 CA ALA A 626 -8.334 1.159 0.141 1.00 0.00 C ATOM 964 C ALA A 626 -9.284 2.328 -0.100 1.00 0.00 C ATOM 965 O ALA A 626 -9.906 2.837 0.831 1.00 0.00 O ATOM 966 CB ALA A 626 -9.102 -0.061 0.625 1.00 0.00 C ATOM 0 H ALA A 626 -7.642 1.668 2.054 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.851 0.916 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.871 -0.319 -0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.416 -0.900 0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.570 0.161 1.584 1.00 0.00 H new ATOM 972 N LYS A 627 -9.388 2.755 -1.356 1.00 0.00 N ATOM 973 CA LYS A 627 -10.257 3.872 -1.711 1.00 0.00 C ATOM 974 C LYS A 627 -11.391 3.421 -2.629 1.00 0.00 C ATOM 975 O LYS A 627 -11.293 2.388 -3.293 1.00 0.00 O ATOM 976 CB LYS A 627 -9.447 4.976 -2.392 1.00 0.00 C ATOM 977 CG LYS A 627 -8.606 4.483 -3.557 1.00 0.00 C ATOM 978 CD LYS A 627 -9.208 4.902 -4.888 1.00 0.00 C ATOM 979 CE LYS A 627 -8.622 6.216 -5.380 1.00 0.00 C ATOM 980 NZ LYS A 627 -8.181 7.091 -4.257 1.00 0.00 N ATOM 0 H LYS A 627 -8.883 2.346 -2.142 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.695 4.260 -0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.129 5.748 -2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -8.794 5.443 -1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.594 4.880 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -8.527 3.397 -3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -9.030 4.123 -5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -10.288 5.001 -4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -7.774 6.012 -6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -9.366 6.742 -5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -7.964 8.041 -4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -8.940 7.157 -3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -7.331 6.687 -3.815 1.00 0.00 H new ATOM 994 N ASP A 628 -12.465 4.206 -2.659 1.00 0.00 N ATOM 995 CA ASP A 628 -13.621 3.896 -3.493 1.00 0.00 C ATOM 996 C ASP A 628 -13.864 5.005 -4.513 1.00 0.00 C ATOM 997 O ASP A 628 -13.239 6.065 -4.453 1.00 0.00 O ATOM 998 CB ASP A 628 -14.867 3.706 -2.625 1.00 0.00 C ATOM 999 CG ASP A 628 -15.158 2.246 -2.343 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -14.437 1.645 -1.519 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -16.106 1.702 -2.947 1.00 0.00 O ATOM 0 H ASP A 628 -12.558 5.063 -2.114 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.415 2.969 -4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -14.733 4.236 -1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -15.726 4.155 -3.124 1.00 0.00 H new ATOM 1006 N ALA A 629 -14.775 4.756 -5.449 1.00 0.00 N ATOM 1007 CA ALA A 629 -15.098 5.735 -6.480 1.00 0.00 C ATOM 1008 C ALA A 629 -16.227 6.657 -6.028 1.00 0.00 C ATOM 1009 O ALA A 629 -17.287 6.712 -6.652 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.471 5.032 -7.777 1.00 0.00 C ATOM 0 H ALA A 629 -15.302 3.885 -5.514 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.214 6.348 -6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -15.710 5.775 -8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -14.633 4.423 -8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.338 4.394 -7.608 1.00 0.00 H new ATOM 1016 N ALA A 630 -15.991 7.381 -4.938 1.00 0.00 N ATOM 1017 CA ALA A 630 -16.986 8.300 -4.401 1.00 0.00 C ATOM 1018 C ALA A 630 -16.336 9.355 -3.513 1.00 0.00 C ATOM 1019 O ALA A 630 -16.662 10.540 -3.598 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.047 7.535 -3.623 1.00 0.00 C ATOM 0 H ALA A 630 -15.119 7.348 -4.410 1.00 0.00 H new ATOM 0 HA ALA A 630 -17.462 8.810 -5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.784 8.235 -3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -18.541 6.823 -4.285 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.577 6.998 -2.799 1.00 0.00 H new ATOM 1026 N GLY A 631 -15.413 8.917 -2.662 1.00 0.00 N ATOM 1027 CA GLY A 631 -14.729 9.835 -1.770 1.00 0.00 C ATOM 1028 C GLY A 631 -14.555 9.267 -0.375 1.00 0.00 C ATOM 1029 O GLY A 631 -14.274 10.004 0.571 1.00 0.00 O ATOM 0 H GLY A 631 -15.127 7.942 -2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -13.751 10.078 -2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -15.291 10.767 -1.712 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.721 7.954 -0.248 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.581 7.287 1.042 1.00 0.00 C ATOM 1035 C ASN A 632 -13.352 6.385 1.056 1.00 0.00 C ATOM 1036 O ASN A 632 -13.199 5.514 0.199 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.834 6.467 1.355 1.00 0.00 C ATOM 1038 CG ASN A 632 -17.098 7.300 1.293 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -17.851 7.236 0.320 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -17.340 8.088 2.335 1.00 0.00 N ATOM 0 H ASN A 632 -14.952 7.331 -1.022 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.457 8.053 1.808 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.911 5.641 0.648 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.739 6.028 2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -18.177 8.671 2.350 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -16.689 8.110 3.120 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.478 6.601 2.034 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.261 5.807 2.158 1.00 0.00 C ATOM 1049 C VAL A 633 -11.215 5.066 3.489 1.00 0.00 C ATOM 1050 O VAL A 633 -11.637 5.589 4.520 1.00 0.00 O ATOM 1051 CB VAL A 633 -10.002 6.683 2.028 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -9.913 7.286 0.635 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -10.002 7.770 3.088 1.00 0.00 C ATOM 0 H VAL A 633 -12.590 7.318 2.751 1.00 0.00 H new ATOM 0 HA VAL A 633 -11.277 5.082 1.344 1.00 0.00 H new ATOM 0 HB VAL A 633 -9.125 6.055 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -9.017 7.902 0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -9.866 6.487 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -10.793 7.902 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -9.105 8.381 2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -10.885 8.397 2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -10.016 7.313 4.078 1.00 0.00 H new ATOM 1063 N SER A 634 -10.696 3.844 3.457 1.00 0.00 N ATOM 1064 CA SER A 634 -10.588 3.022 4.656 1.00 0.00 C ATOM 1065 C SER A 634 -9.411 3.470 5.514 1.00 0.00 C ATOM 1066 O SER A 634 -8.777 4.488 5.231 1.00 0.00 O ATOM 1067 CB SER A 634 -10.423 1.550 4.271 1.00 0.00 C ATOM 1068 OG SER A 634 -9.360 1.383 3.351 1.00 0.00 O ATOM 0 H SER A 634 -10.342 3.399 2.610 1.00 0.00 H new ATOM 0 HA SER A 634 -11.503 3.140 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 634 -10.232 0.956 5.165 1.00 0.00 H new ATOM 0 HB3 SER A 634 -11.350 1.179 3.833 1.00 0.00 H new ATOM 0 HG SER A 634 -8.507 1.547 3.804 1.00 0.00 H new ATOM 1074 N ALA A 635 -9.117 2.703 6.559 1.00 0.00 N ATOM 1075 CA ALA A 635 -8.011 3.020 7.453 1.00 0.00 C ATOM 1076 C ALA A 635 -6.680 2.601 6.839 1.00 0.00 C ATOM 1077 O ALA A 635 -6.646 1.881 5.840 1.00 0.00 O ATOM 1078 CB ALA A 635 -8.210 2.343 8.802 1.00 0.00 C ATOM 0 H ALA A 635 -9.630 1.857 6.807 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.992 4.099 7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.376 2.589 9.459 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -9.140 2.692 9.250 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.256 1.263 8.664 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.586 3.056 7.439 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.254 2.728 6.948 1.00 0.00 C ATOM 1086 C ALA A 636 -3.757 1.416 7.546 1.00 0.00 C ATOM 1087 O ALA A 636 -3.788 1.226 8.762 1.00 0.00 O ATOM 1088 CB ALA A 636 -3.285 3.857 7.264 1.00 0.00 C ATOM 0 H ALA A 636 -5.596 3.653 8.266 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.310 2.604 5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.293 3.600 6.892 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.626 4.774 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -3.240 4.007 8.343 1.00 0.00 H new ATOM 1094 N SER A 637 -3.301 0.515 6.683 1.00 0.00 N ATOM 1095 CA SER A 637 -2.797 -0.782 7.121 1.00 0.00 C ATOM 1096 C SER A 637 -1.527 -0.626 7.950 1.00 0.00 C ATOM 1097 O SER A 637 -1.046 0.486 8.166 1.00 0.00 O ATOM 1098 CB SER A 637 -2.522 -1.674 5.919 1.00 0.00 C ATOM 1099 OG SER A 637 -2.647 -3.043 6.260 1.00 0.00 O ATOM 0 H SER A 637 -3.270 0.659 5.674 1.00 0.00 H new ATOM 0 HA SER A 637 -3.561 -1.245 7.746 1.00 0.00 H new ATOM 0 HB2 SER A 637 -3.218 -1.431 5.116 1.00 0.00 H new ATOM 0 HB3 SER A 637 -1.518 -1.481 5.541 1.00 0.00 H new ATOM 0 HG SER A 637 -3.534 -3.205 6.643 1.00 0.00 H new ATOM 1105 N ASN A 638 -0.988 -1.750 8.410 1.00 0.00 N ATOM 1106 CA ASN A 638 0.228 -1.742 9.215 1.00 0.00 C ATOM 1107 C ASN A 638 1.411 -1.227 8.401 1.00 0.00 C ATOM 1108 O ASN A 638 1.395 -1.267 7.170 1.00 0.00 O ATOM 1109 CB ASN A 638 0.533 -3.144 9.744 1.00 0.00 C ATOM 1110 CG ASN A 638 -0.696 -4.032 9.774 1.00 0.00 C ATOM 1111 OD1 ASN A 638 -1.602 -3.832 10.584 1.00 0.00 O ATOM 1112 ND2 ASN A 638 -0.733 -5.022 8.889 1.00 0.00 N ATOM 0 H ASN A 638 -1.374 -2.678 8.239 1.00 0.00 H new ATOM 0 HA ASN A 638 0.067 -1.073 10.061 1.00 0.00 H new ATOM 0 HB2 ASN A 638 1.297 -3.607 9.119 1.00 0.00 H new ATOM 0 HB3 ASN A 638 0.947 -3.068 10.749 1.00 0.00 H new ATOM 0 HD21 ASN A 638 -1.534 -5.653 8.863 1.00 0.00 H new ATOM 0 HD22 ASN A 638 0.040 -5.151 8.236 1.00 0.00 H new ATOM 1119 N ALA A 639 2.434 -0.739 9.096 1.00 0.00 N ATOM 1120 CA ALA A 639 3.622 -0.214 8.437 1.00 0.00 C ATOM 1121 C ALA A 639 4.655 -1.312 8.208 1.00 0.00 C ATOM 1122 O ALA A 639 4.884 -2.156 9.075 1.00 0.00 O ATOM 1123 CB ALA A 639 4.223 0.918 9.255 1.00 0.00 C ATOM 0 H ALA A 639 2.463 -0.697 10.115 1.00 0.00 H new ATOM 0 HA ALA A 639 3.324 0.175 7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 639 5.110 1.300 8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 639 3.491 1.719 9.360 1.00 0.00 H new ATOM 0 HB3 ALA A 639 4.499 0.547 10.242 1.00 0.00 H new ATOM 1129 N VAL A 640 5.275 -1.292 7.032 1.00 0.00 N ATOM 1130 CA VAL A 640 6.284 -2.282 6.678 1.00 0.00 C ATOM 1131 C VAL A 640 7.666 -1.644 6.578 1.00 0.00 C ATOM 1132 O VAL A 640 7.947 -0.889 5.647 1.00 0.00 O ATOM 1133 CB VAL A 640 5.946 -2.974 5.344 1.00 0.00 C ATOM 1134 CG1 VAL A 640 4.886 -4.046 5.551 1.00 0.00 C ATOM 1135 CG2 VAL A 640 5.486 -1.954 4.313 1.00 0.00 C ATOM 0 H VAL A 640 5.095 -0.598 6.306 1.00 0.00 H new ATOM 0 HA VAL A 640 6.291 -3.029 7.472 1.00 0.00 H new ATOM 0 HB VAL A 640 6.849 -3.455 4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 640 4.660 -4.524 4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 640 5.257 -4.793 6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 640 3.981 -3.590 5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 640 5.252 -2.462 3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 640 4.597 -1.442 4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 640 6.279 -1.226 4.142 1.00 0.00 H new ATOM 1145 N SER A 641 8.524 -1.949 7.546 1.00 0.00 N ATOM 1146 CA SER A 641 9.876 -1.403 7.569 1.00 0.00 C ATOM 1147 C SER A 641 10.800 -2.186 6.640 1.00 0.00 C ATOM 1148 O SER A 641 11.115 -3.347 6.898 1.00 0.00 O ATOM 1149 CB SER A 641 10.431 -1.422 8.994 1.00 0.00 C ATOM 1150 OG SER A 641 10.806 -0.122 9.414 1.00 0.00 O ATOM 0 H SER A 641 8.307 -2.571 8.325 1.00 0.00 H new ATOM 0 HA SER A 641 9.829 -0.372 7.217 1.00 0.00 H new ATOM 0 HB2 SER A 641 9.681 -1.825 9.674 1.00 0.00 H new ATOM 0 HB3 SER A 641 11.294 -2.086 9.042 1.00 0.00 H new ATOM 0 HG SER A 641 11.156 -0.162 10.329 1.00 0.00 H new ATOM 1156 N VAL A 642 11.230 -1.540 5.561 1.00 0.00 N ATOM 1157 CA VAL A 642 12.119 -2.173 4.593 1.00 0.00 C ATOM 1158 C VAL A 642 13.398 -1.363 4.413 1.00 0.00 C ATOM 1159 O VAL A 642 13.351 -0.156 4.176 1.00 0.00 O ATOM 1160 CB VAL A 642 11.437 -2.344 3.221 1.00 0.00 C ATOM 1161 CG1 VAL A 642 10.851 -3.741 3.087 1.00 0.00 C ATOM 1162 CG2 VAL A 642 10.363 -1.284 3.016 1.00 0.00 C ATOM 0 H VAL A 642 10.977 -0.578 5.335 1.00 0.00 H new ATOM 0 HA VAL A 642 12.364 -3.158 4.990 1.00 0.00 H new ATOM 0 HB VAL A 642 12.191 -2.214 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 642 10.374 -3.843 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.647 -4.480 3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.112 -3.902 3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 642 9.895 -1.424 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 642 9.608 -1.375 3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 642 10.816 -0.294 3.062 1.00 0.00 H new ATOM 1172 N LYS A 643 14.542 -2.033 4.526 1.00 0.00 N ATOM 1173 CA LYS A 643 15.832 -1.370 4.375 1.00 0.00 C ATOM 1174 C LYS A 643 16.429 -1.644 2.998 1.00 0.00 C ATOM 1175 O LYS A 643 16.748 -2.786 2.663 1.00 0.00 O ATOM 1176 CB LYS A 643 16.803 -1.830 5.466 1.00 0.00 C ATOM 1177 CG LYS A 643 16.709 -3.314 5.785 1.00 0.00 C ATOM 1178 CD LYS A 643 18.009 -3.844 6.370 1.00 0.00 C ATOM 1179 CE LYS A 643 19.038 -4.120 5.285 1.00 0.00 C ATOM 1180 NZ LYS A 643 18.761 -5.395 4.568 1.00 0.00 N ATOM 0 H LYS A 643 14.601 -3.032 4.721 1.00 0.00 H new ATOM 0 HA LYS A 643 15.670 -0.297 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 643 17.821 -1.599 5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 643 16.611 -1.260 6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 643 15.896 -3.484 6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 643 16.465 -3.867 4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 643 18.412 -3.120 7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 643 17.812 -4.760 6.927 1.00 0.00 H new ATOM 0 HE2 LYS A 643 19.043 -3.296 4.571 1.00 0.00 H new ATOM 0 HE3 LYS A 643 20.032 -4.162 5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 19.522 -5.581 3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 18.714 -6.176 5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 17.854 -5.321 4.065 1.00 0.00 H new ATOM 1194 N THR A 644 16.578 -0.588 2.205 1.00 0.00 N ATOM 1195 CA THR A 644 17.136 -0.708 0.863 1.00 0.00 C ATOM 1196 C THR A 644 18.658 -0.631 0.892 1.00 0.00 C ATOM 1197 O THR A 644 19.283 -0.861 -0.166 1.00 0.00 O ATOM 1198 CB THR A 644 16.596 0.393 -0.069 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.788 1.679 0.530 1.00 0.00 O ATOM 1200 CG2 THR A 644 15.117 0.180 -0.359 1.00 0.00 C ATOM 1201 OXT THR A 644 19.214 -0.340 1.972 1.00 0.00 O ATOM 0 H THR A 644 16.319 0.363 2.469 1.00 0.00 H new ATOM 0 HA THR A 644 16.831 -1.682 0.479 1.00 0.00 H new ATOM 0 HB THR A 644 17.146 0.344 -1.009 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.934 2.348 -0.171 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.758 0.970 -1.019 1.00 0.00 H new ATOM 0 HG22 THR A 644 14.976 -0.787 -0.841 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.556 0.205 0.575 1.00 0.00 H new