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 572 THR OG1 : rot -65:sc= 1.85 USER MOD Set 1.2: A 574 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 575 SER OG : rot 180:sc= 0 USER MOD Single : A 561 THR OG1 : rot 180:sc= 0 USER MOD Single : A 564 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 565 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.041) USER MOD Single : A 568 SER OG : rot 130:sc= 0 USER MOD Single : A 569 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 571 GLN :FLIP amide:sc= -2.19! C(o=-2.7!,f=-2.2!) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0 USER MOD Single : A 577 THR OG1 : rot 69:sc= 0.0827 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 89:sc= 0.604 USER MOD Single : A 583 SER OG : rot -120:sc= 0.155 USER MOD Single : A 584 THR OG1 : rot 180:sc= -0.0587 USER MOD Single : A 586 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.9!) USER MOD Single : A 590 THR OG1 : rot 180:sc=-0.00786 USER MOD Single : A 592 TYR OH : rot 15:sc= 0.382 USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN :FLIP amide:sc= 0.0247 F(o=-1.5,f=0.025) USER MOD Single : A 598 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 THR OG1 : rot 153:sc= 1.05 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= 0.0145 USER MOD Single : A 608 THR OG1 : rot 180:sc= 0 USER MOD Single : A 610 THR OG1 : rot 180:sc= 0 USER MOD Single : A 612 SER OG : rot 180:sc= 0 USER MOD Single : A 618 THR OG1 : rot 93:sc= 0.367 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 TYR OH : rot 112:sc= -1 USER MOD Single : A 621 THR OG1 : rot 180:sc= 0 USER MOD Single : A 623 THR OG1 : rot 180:sc= 0 USER MOD Single : A 625 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 632 ASN : amide:sc= -0.336 K(o=-0.34,f=-2.5) USER MOD Single : A 634 SER OG : rot 94:sc= 0.0661 USER MOD Single : A 637 SER OG : rot 47:sc= 0.406 USER MOD Single : A 638 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.41) 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 136:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 38 N ALA A 559 -16.994 4.381 4.119 1.00 0.00 N ATOM 39 CA ALA A 559 -15.698 4.002 3.571 1.00 0.00 C ATOM 40 C ALA A 559 -15.602 2.489 3.377 1.00 0.00 C ATOM 41 O ALA A 559 -16.316 1.727 4.032 1.00 0.00 O ATOM 42 CB ALA A 559 -14.584 4.492 4.486 1.00 0.00 C ATOM 0 HA ALA A 559 -15.589 4.471 2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -13.618 4.205 4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -14.634 5.578 4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -14.701 4.045 5.473 1.00 0.00 H new ATOM 48 N PRO A 560 -14.717 2.027 2.471 1.00 0.00 N ATOM 49 CA PRO A 560 -14.536 0.597 2.199 1.00 0.00 C ATOM 50 C PRO A 560 -13.850 -0.127 3.355 1.00 0.00 C ATOM 51 O PRO A 560 -14.081 0.192 4.522 1.00 0.00 O ATOM 52 CB PRO A 560 -13.650 0.583 0.953 1.00 0.00 C ATOM 53 CG PRO A 560 -12.890 1.860 1.021 1.00 0.00 C ATOM 54 CD PRO A 560 -13.822 2.862 1.643 1.00 0.00 C ATOM 0 HA PRO A 560 -15.487 0.081 2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.981 -0.277 0.952 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -14.247 0.524 0.043 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -11.985 1.745 1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.577 2.182 0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.283 3.593 2.245 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.376 3.419 0.887 1.00 0.00 H new ATOM 62 N THR A 561 -13.008 -1.103 3.027 1.00 0.00 N ATOM 63 CA THR A 561 -12.295 -1.866 4.043 1.00 0.00 C ATOM 64 C THR A 561 -10.786 -1.671 3.928 1.00 0.00 C ATOM 65 O THR A 561 -10.188 -1.959 2.891 1.00 0.00 O ATOM 66 CB THR A 561 -12.614 -3.369 3.944 1.00 0.00 C ATOM 67 OG1 THR A 561 -13.918 -3.557 3.382 1.00 0.00 O ATOM 68 CG2 THR A 561 -12.547 -4.027 5.313 1.00 0.00 C ATOM 0 H THR A 561 -12.804 -1.383 2.068 1.00 0.00 H new ATOM 0 HA THR A 561 -12.633 -1.491 5.009 1.00 0.00 H new ATOM 0 HB THR A 561 -11.870 -3.834 3.298 1.00 0.00 H new ATOM 0 HG1 THR A 561 -14.113 -4.516 3.321 1.00 0.00 H new ATOM 0 HG21 THR A 561 -12.776 -5.088 5.218 1.00 0.00 H new ATOM 0 HG22 THR A 561 -11.545 -3.907 5.726 1.00 0.00 H new ATOM 0 HG23 THR A 561 -13.272 -3.558 5.978 1.00 0.00 H new ATOM 76 N ALA A 562 -10.179 -1.179 5.003 1.00 0.00 N ATOM 77 CA ALA A 562 -8.739 -0.941 5.036 1.00 0.00 C ATOM 78 C ALA A 562 -7.960 -2.249 4.886 1.00 0.00 C ATOM 79 O ALA A 562 -8.230 -3.220 5.593 1.00 0.00 O ATOM 80 CB ALA A 562 -8.353 -0.251 6.335 1.00 0.00 C ATOM 0 H ALA A 562 -10.664 -0.936 5.867 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.483 -0.295 4.196 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.277 -0.078 6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -8.875 0.703 6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.630 -0.883 7.179 1.00 0.00 H new ATOM 86 N PRO A 563 -6.976 -2.288 3.965 1.00 0.00 N ATOM 87 CA PRO A 563 -6.149 -3.481 3.733 1.00 0.00 C ATOM 88 C PRO A 563 -5.595 -4.064 5.030 1.00 0.00 C ATOM 89 O PRO A 563 -5.694 -3.447 6.092 1.00 0.00 O ATOM 90 CB PRO A 563 -5.007 -2.953 2.863 1.00 0.00 C ATOM 91 CG PRO A 563 -5.584 -1.782 2.146 1.00 0.00 C ATOM 92 CD PRO A 563 -6.590 -1.168 3.083 1.00 0.00 C ATOM 0 HA PRO A 563 -6.720 -4.289 3.275 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.150 -2.662 3.470 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.659 -3.713 2.163 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.807 -1.064 1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -6.058 -2.091 1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.158 -0.343 3.649 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.449 -0.769 2.543 1.00 0.00 H new ATOM 100 N THR A 564 -5.009 -5.253 4.939 1.00 0.00 N ATOM 101 CA THR A 564 -4.439 -5.914 6.108 1.00 0.00 C ATOM 102 C THR A 564 -3.398 -6.953 5.703 1.00 0.00 C ATOM 103 O THR A 564 -3.393 -7.429 4.569 1.00 0.00 O ATOM 104 CB THR A 564 -5.531 -6.596 6.951 1.00 0.00 C ATOM 105 OG1 THR A 564 -4.936 -7.333 8.026 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.366 -7.528 6.090 1.00 0.00 C ATOM 0 H THR A 564 -4.916 -5.778 4.070 1.00 0.00 H new ATOM 0 HA THR A 564 -3.957 -5.140 6.706 1.00 0.00 H new ATOM 0 HB THR A 564 -6.180 -5.823 7.362 1.00 0.00 H new ATOM 0 HG1 THR A 564 -5.639 -7.762 8.557 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.133 -8.001 6.704 1.00 0.00 H new ATOM 0 HG22 THR A 564 -6.841 -6.958 5.292 1.00 0.00 H new ATOM 0 HG23 THR A 564 -5.724 -8.295 5.656 1.00 0.00 H new ATOM 114 N ASN A 565 -2.523 -7.301 6.643 1.00 0.00 N ATOM 115 CA ASN A 565 -1.474 -8.287 6.399 1.00 0.00 C ATOM 116 C ASN A 565 -0.609 -7.899 5.202 1.00 0.00 C ATOM 117 O ASN A 565 -0.511 -8.644 4.226 1.00 0.00 O ATOM 118 CB ASN A 565 -2.084 -9.671 6.174 1.00 0.00 C ATOM 119 CG ASN A 565 -1.181 -10.785 6.666 1.00 0.00 C ATOM 120 OD1 ASN A 565 -0.862 -11.715 5.924 1.00 0.00 O ATOM 121 ND2 ASN A 565 -0.762 -10.697 7.923 1.00 0.00 N ATOM 0 H ASN A 565 -2.520 -6.912 7.586 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.837 -8.315 7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -3.043 -9.731 6.688 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -2.282 -9.810 5.111 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -0.151 -11.417 8.309 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -1.051 -9.909 8.503 1.00 0.00 H new ATOM 128 N LEU A 566 0.027 -6.734 5.287 1.00 0.00 N ATOM 129 CA LEU A 566 0.895 -6.257 4.215 1.00 0.00 C ATOM 130 C LEU A 566 2.301 -6.826 4.377 1.00 0.00 C ATOM 131 O LEU A 566 2.712 -7.183 5.481 1.00 0.00 O ATOM 132 CB LEU A 566 0.946 -4.726 4.207 1.00 0.00 C ATOM 133 CG LEU A 566 2.031 -4.116 3.315 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.466 -3.745 1.953 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.646 -2.902 3.987 1.00 0.00 C ATOM 0 H LEU A 566 -0.042 -6.104 6.086 1.00 0.00 H new ATOM 0 HA LEU A 566 0.485 -6.598 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -0.024 -4.348 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.099 -4.378 5.228 1.00 0.00 H new ATOM 0 HG LEU A 566 2.811 -4.862 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.255 -3.314 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.073 -4.638 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.664 -3.017 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 566 3.415 -2.479 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.873 -2.155 4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 566 3.092 -3.199 4.936 1.00 0.00 H new ATOM 147 N ALA A 567 3.033 -6.907 3.272 1.00 0.00 N ATOM 148 CA ALA A 567 4.392 -7.433 3.298 1.00 0.00 C ATOM 149 C ALA A 567 5.177 -7.002 2.064 1.00 0.00 C ATOM 150 O ALA A 567 4.633 -6.372 1.158 1.00 0.00 O ATOM 151 CB ALA A 567 4.369 -8.950 3.413 1.00 0.00 C ATOM 0 H ALA A 567 2.709 -6.616 2.350 1.00 0.00 H new ATOM 0 HA ALA A 567 4.896 -7.022 4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 567 5.391 -9.329 3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.859 -9.238 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.841 -9.372 2.558 1.00 0.00 H new ATOM 157 N SER A 568 6.459 -7.353 2.035 1.00 0.00 N ATOM 158 CA SER A 568 7.324 -7.010 0.910 1.00 0.00 C ATOM 159 C SER A 568 7.959 -8.265 0.319 1.00 0.00 C ATOM 160 O SER A 568 8.452 -9.125 1.048 1.00 0.00 O ATOM 161 CB SER A 568 8.413 -6.032 1.352 1.00 0.00 C ATOM 162 OG SER A 568 9.071 -6.490 2.520 1.00 0.00 O ATOM 0 H SER A 568 6.923 -7.875 2.778 1.00 0.00 H new ATOM 0 HA SER A 568 6.713 -6.533 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 568 9.139 -5.905 0.549 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.972 -5.053 1.540 1.00 0.00 H new ATOM 0 HG SER A 568 10.041 -6.459 2.383 1.00 0.00 H new ATOM 168 N THR A 569 7.938 -8.365 -1.006 1.00 0.00 N ATOM 169 CA THR A 569 8.506 -9.518 -1.693 1.00 0.00 C ATOM 170 C THR A 569 9.829 -9.165 -2.366 1.00 0.00 C ATOM 171 O THR A 569 10.900 -9.349 -1.785 1.00 0.00 O ATOM 172 CB THR A 569 7.534 -10.079 -2.747 1.00 0.00 C ATOM 173 OG1 THR A 569 6.629 -9.054 -3.173 1.00 0.00 O ATOM 174 CG2 THR A 569 6.745 -11.253 -2.185 1.00 0.00 C ATOM 0 H THR A 569 7.534 -7.662 -1.625 1.00 0.00 H new ATOM 0 HA THR A 569 8.684 -10.281 -0.935 1.00 0.00 H new ATOM 0 HB THR A 569 8.118 -10.427 -3.599 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.015 -9.418 -3.845 1.00 0.00 H new ATOM 0 HG21 THR A 569 6.065 -11.633 -2.948 1.00 0.00 H new ATOM 0 HG22 THR A 569 7.433 -12.044 -1.886 1.00 0.00 H new ATOM 0 HG23 THR A 569 6.171 -10.924 -1.318 1.00 0.00 H new ATOM 182 N ALA A 570 9.751 -8.663 -3.595 1.00 0.00 N ATOM 183 CA ALA A 570 10.944 -8.290 -4.348 1.00 0.00 C ATOM 184 C ALA A 570 11.321 -6.831 -4.108 1.00 0.00 C ATOM 185 O ALA A 570 10.758 -5.925 -4.723 1.00 0.00 O ATOM 186 CB ALA A 570 10.729 -8.545 -5.833 1.00 0.00 C ATOM 0 H ALA A 570 8.874 -8.505 -4.091 1.00 0.00 H new ATOM 0 HA ALA A 570 11.770 -8.909 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.626 -8.263 -6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.522 -9.603 -5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.885 -7.952 -6.186 1.00 0.00 H new ATOM 192 N GLN A 571 12.280 -6.612 -3.216 1.00 0.00 N ATOM 193 CA GLN A 571 12.737 -5.264 -2.898 1.00 0.00 C ATOM 194 C GLN A 571 14.159 -5.043 -3.401 1.00 0.00 C ATOM 195 O GLN A 571 15.033 -5.891 -3.214 1.00 0.00 O ATOM 196 CB GLN A 571 12.668 -5.027 -1.387 1.00 0.00 C ATOM 197 CG GLN A 571 13.390 -3.769 -0.928 1.00 0.00 C ATOM 198 CD GLN A 571 13.916 -3.883 0.489 1.00 0.00 C ATOM 199 OE1 GLN A 571 13.850 -2.787 1.235 1.00 0.00 O flip ATOM 200 NE2 GLN A 571 14.375 -4.945 0.909 1.00 0.00 N flip ATOM 0 H GLN A 571 12.757 -7.351 -2.700 1.00 0.00 H new ATOM 0 HA GLN A 571 12.082 -4.551 -3.399 1.00 0.00 H new ATOM 0 HB2 GLN A 571 11.622 -4.964 -1.086 1.00 0.00 H new ATOM 0 HB3 GLN A 571 13.096 -5.888 -0.874 1.00 0.00 H new ATOM 0 HG2 GLN A 571 14.220 -3.564 -1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 571 12.709 -2.920 -0.992 1.00 0.00 H new ATOM 0 HE21 GLN A 571 14.406 -5.763 0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 571 14.724 -5.007 1.865 1.00 0.00 H new ATOM 209 N THR A 572 14.385 -3.899 -4.038 1.00 0.00 N ATOM 210 CA THR A 572 15.701 -3.564 -4.566 1.00 0.00 C ATOM 211 C THR A 572 16.165 -2.205 -4.051 1.00 0.00 C ATOM 212 O THR A 572 15.638 -1.694 -3.063 1.00 0.00 O ATOM 213 CB THR A 572 15.702 -3.550 -6.106 1.00 0.00 C ATOM 214 OG1 THR A 572 14.989 -2.405 -6.585 1.00 0.00 O ATOM 215 CG2 THR A 572 15.069 -4.817 -6.662 1.00 0.00 C ATOM 0 H THR A 572 13.672 -3.188 -4.201 1.00 0.00 H new ATOM 0 HA THR A 572 16.390 -4.335 -4.221 1.00 0.00 H new ATOM 0 HB THR A 572 16.737 -3.503 -6.445 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.045 -2.479 -6.333 1.00 0.00 H new ATOM 0 HG21 THR A 572 15.082 -4.782 -7.751 1.00 0.00 H new ATOM 0 HG22 THR A 572 15.632 -5.685 -6.320 1.00 0.00 H new ATOM 0 HG23 THR A 572 14.039 -4.892 -6.314 1.00 0.00 H new ATOM 223 N THR A 573 17.153 -1.625 -4.725 1.00 0.00 N ATOM 224 CA THR A 573 17.686 -0.327 -4.330 1.00 0.00 C ATOM 225 C THR A 573 17.004 0.806 -5.092 1.00 0.00 C ATOM 226 O THR A 573 17.570 1.889 -5.249 1.00 0.00 O ATOM 227 CB THR A 573 19.205 -0.249 -4.569 1.00 0.00 C ATOM 228 OG1 THR A 573 19.508 -0.621 -5.919 1.00 0.00 O ATOM 229 CG2 THR A 573 19.951 -1.164 -3.608 1.00 0.00 C ATOM 0 H THR A 573 17.600 -2.033 -5.546 1.00 0.00 H new ATOM 0 HA THR A 573 17.486 -0.215 -3.264 1.00 0.00 H new ATOM 0 HB THR A 573 19.526 0.778 -4.394 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.476 -0.567 -6.064 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.022 -1.092 -3.795 1.00 0.00 H new ATOM 0 HG22 THR A 573 19.741 -0.863 -2.582 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.624 -2.193 -3.758 1.00 0.00 H new ATOM 237 N SER A 574 15.786 0.552 -5.562 1.00 0.00 N ATOM 238 CA SER A 574 15.032 1.554 -6.307 1.00 0.00 C ATOM 239 C SER A 574 13.564 1.158 -6.429 1.00 0.00 C ATOM 240 O SER A 574 12.670 1.969 -6.183 1.00 0.00 O ATOM 241 CB SER A 574 15.636 1.747 -7.699 1.00 0.00 C ATOM 242 OG SER A 574 15.721 0.514 -8.395 1.00 0.00 O ATOM 0 H SER A 574 15.301 -0.337 -5.440 1.00 0.00 H new ATOM 0 HA SER A 574 15.090 2.494 -5.758 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.027 2.448 -8.269 1.00 0.00 H new ATOM 0 HB3 SER A 574 16.629 2.187 -7.610 1.00 0.00 H new ATOM 0 HG SER A 574 16.109 0.665 -9.282 1.00 0.00 H new ATOM 248 N SER A 575 13.323 -0.090 -6.815 1.00 0.00 N ATOM 249 CA SER A 575 11.962 -0.590 -6.976 1.00 0.00 C ATOM 250 C SER A 575 11.654 -1.689 -5.961 1.00 0.00 C ATOM 251 O SER A 575 12.389 -2.670 -5.852 1.00 0.00 O ATOM 252 CB SER A 575 11.759 -1.119 -8.397 1.00 0.00 C ATOM 253 OG SER A 575 13.001 -1.328 -9.046 1.00 0.00 O ATOM 0 H SER A 575 14.051 -0.774 -7.022 1.00 0.00 H new ATOM 0 HA SER A 575 11.276 0.238 -6.799 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.201 -2.055 -8.364 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.160 -0.411 -8.970 1.00 0.00 H new ATOM 0 HG SER A 575 12.844 -1.668 -9.952 1.00 0.00 H new ATOM 259 N ILE A 576 10.561 -1.515 -5.224 1.00 0.00 N ATOM 260 CA ILE A 576 10.150 -2.489 -4.218 1.00 0.00 C ATOM 261 C ILE A 576 8.759 -3.039 -4.523 1.00 0.00 C ATOM 262 O ILE A 576 7.891 -2.320 -5.021 1.00 0.00 O ATOM 263 CB ILE A 576 10.152 -1.870 -2.804 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.813 -2.931 -1.753 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.170 -0.710 -2.732 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.969 -2.446 -0.327 1.00 0.00 C ATOM 0 H ILE A 576 9.943 -0.707 -5.305 1.00 0.00 H new ATOM 0 HA ILE A 576 10.873 -3.304 -4.249 1.00 0.00 H new ATOM 0 HB ILE A 576 11.151 -1.488 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.786 -3.264 -1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.455 -3.798 -1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 576 9.183 -0.284 -1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.456 0.054 -3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.166 -1.068 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.712 -3.251 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 576 11.001 -2.140 -0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.306 -1.597 -0.157 1.00 0.00 H new ATOM 278 N THR A 577 8.553 -4.317 -4.219 1.00 0.00 N ATOM 279 CA THR A 577 7.269 -4.965 -4.455 1.00 0.00 C ATOM 280 C THR A 577 6.504 -5.147 -3.148 1.00 0.00 C ATOM 281 O THR A 577 7.065 -5.598 -2.149 1.00 0.00 O ATOM 282 CB THR A 577 7.448 -6.338 -5.130 1.00 0.00 C ATOM 283 OG1 THR A 577 8.264 -6.206 -6.301 1.00 0.00 O ATOM 284 CG2 THR A 577 6.102 -6.936 -5.513 1.00 0.00 C ATOM 0 H THR A 577 9.261 -4.925 -3.808 1.00 0.00 H new ATOM 0 HA THR A 577 6.701 -4.316 -5.121 1.00 0.00 H new ATOM 0 HB THR A 577 7.935 -7.005 -4.418 1.00 0.00 H new ATOM 0 HG1 THR A 577 9.184 -5.996 -6.037 1.00 0.00 H new ATOM 0 HG21 THR A 577 6.256 -7.905 -5.988 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.493 -7.063 -4.618 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.592 -6.269 -6.208 1.00 0.00 H new ATOM 292 N LEU A 578 5.224 -4.788 -3.159 1.00 0.00 N ATOM 293 CA LEU A 578 4.390 -4.907 -1.968 1.00 0.00 C ATOM 294 C LEU A 578 3.179 -5.797 -2.224 1.00 0.00 C ATOM 295 O LEU A 578 2.604 -5.788 -3.312 1.00 0.00 O ATOM 296 CB LEU A 578 3.928 -3.520 -1.506 1.00 0.00 C ATOM 297 CG LEU A 578 4.268 -3.161 -0.055 1.00 0.00 C ATOM 298 CD1 LEU A 578 5.696 -3.563 0.285 1.00 0.00 C ATOM 299 CD2 LEU A 578 4.064 -1.672 0.181 1.00 0.00 C ATOM 0 H LEU A 578 4.743 -4.413 -3.977 1.00 0.00 H new ATOM 0 HA LEU A 578 4.991 -5.369 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 578 4.373 -2.771 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 578 2.848 -3.455 -1.635 1.00 0.00 H new ATOM 0 HG LEU A 578 3.596 -3.715 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.912 -3.297 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 578 5.812 -4.639 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 578 6.388 -3.041 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 578 4.309 -1.431 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.713 -1.105 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 578 3.024 -1.412 -0.016 1.00 0.00 H new ATOM 311 N SER A 579 2.799 -6.562 -1.207 1.00 0.00 N ATOM 312 CA SER A 579 1.655 -7.459 -1.301 1.00 0.00 C ATOM 313 C SER A 579 0.847 -7.426 -0.010 1.00 0.00 C ATOM 314 O SER A 579 1.411 -7.399 1.083 1.00 0.00 O ATOM 315 CB SER A 579 2.119 -8.887 -1.593 1.00 0.00 C ATOM 316 OG SER A 579 1.135 -9.832 -1.212 1.00 0.00 O ATOM 0 H SER A 579 3.270 -6.578 -0.303 1.00 0.00 H new ATOM 0 HA SER A 579 1.020 -7.122 -2.121 1.00 0.00 H new ATOM 0 HB2 SER A 579 2.336 -8.992 -2.656 1.00 0.00 H new ATOM 0 HB3 SER A 579 3.047 -9.088 -1.057 1.00 0.00 H new ATOM 0 HG SER A 579 1.456 -10.736 -1.411 1.00 0.00 H new ATOM 322 N TRP A 580 -0.474 -7.419 -0.141 1.00 0.00 N ATOM 323 CA TRP A 580 -1.354 -7.378 1.021 1.00 0.00 C ATOM 324 C TRP A 580 -2.705 -8.008 0.713 1.00 0.00 C ATOM 325 O TRP A 580 -3.022 -8.297 -0.440 1.00 0.00 O ATOM 326 CB TRP A 580 -1.551 -5.933 1.478 1.00 0.00 C ATOM 327 CG TRP A 580 -2.178 -5.065 0.429 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.504 -4.768 0.294 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.505 -4.390 -0.639 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.695 -3.948 -0.792 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.483 -3.702 -1.380 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.169 -4.300 -1.037 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.165 -2.932 -2.498 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.146 -3.538 -2.146 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.849 -2.863 -2.866 1.00 0.00 C ATOM 0 H TRP A 580 -0.959 -7.441 -1.038 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.883 -7.952 1.819 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.176 -5.923 2.371 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.586 -5.512 1.760 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.288 -5.125 0.945 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.593 -3.582 -1.108 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.604 -4.817 -0.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -2.930 -2.409 -3.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.176 -3.461 -2.463 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.571 -2.276 -3.729 1.00 0.00 H new ATOM 346 N THR A 581 -3.499 -8.213 1.759 1.00 0.00 N ATOM 347 CA THR A 581 -4.821 -8.805 1.614 1.00 0.00 C ATOM 348 C THR A 581 -5.847 -7.763 1.181 1.00 0.00 C ATOM 349 O THR A 581 -5.967 -6.703 1.794 1.00 0.00 O ATOM 350 CB THR A 581 -5.289 -9.458 2.928 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.155 -9.814 3.727 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.126 -10.696 2.647 1.00 0.00 C ATOM 0 H THR A 581 -3.247 -7.976 2.719 1.00 0.00 H new ATOM 0 HA THR A 581 -4.742 -9.572 0.844 1.00 0.00 H new ATOM 0 HB THR A 581 -5.903 -8.738 3.469 1.00 0.00 H new ATOM 0 HG1 THR A 581 -3.906 -9.057 4.297 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.446 -11.141 3.589 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.002 -10.418 2.062 1.00 0.00 H new ATOM 0 HG23 THR A 581 -5.531 -11.418 2.088 1.00 0.00 H new ATOM 360 N ALA A 582 -6.583 -8.077 0.120 1.00 0.00 N ATOM 361 CA ALA A 582 -7.601 -7.172 -0.399 1.00 0.00 C ATOM 362 C ALA A 582 -8.684 -6.916 0.642 1.00 0.00 C ATOM 363 O ALA A 582 -8.736 -7.581 1.677 1.00 0.00 O ATOM 364 CB ALA A 582 -8.212 -7.741 -1.672 1.00 0.00 C ATOM 0 H ALA A 582 -6.493 -8.952 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.125 -6.220 -0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -8.971 -7.055 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -7.433 -7.869 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.670 -8.706 -1.456 1.00 0.00 H new ATOM 370 N SER A 583 -9.547 -5.946 0.363 1.00 0.00 N ATOM 371 CA SER A 583 -10.631 -5.599 1.275 1.00 0.00 C ATOM 372 C SER A 583 -11.659 -6.723 1.353 1.00 0.00 C ATOM 373 O SER A 583 -12.512 -6.736 2.243 1.00 0.00 O ATOM 374 CB SER A 583 -11.308 -4.306 0.822 1.00 0.00 C ATOM 375 OG SER A 583 -12.273 -4.563 -0.184 1.00 0.00 O ATOM 0 H SER A 583 -9.517 -5.385 -0.488 1.00 0.00 H new ATOM 0 HA SER A 583 -10.205 -5.452 2.267 1.00 0.00 H new ATOM 0 HB2 SER A 583 -11.786 -3.824 1.675 1.00 0.00 H new ATOM 0 HB3 SER A 583 -10.558 -3.612 0.443 1.00 0.00 H new ATOM 0 HG SER A 583 -12.034 -4.074 -0.999 1.00 0.00 H new ATOM 381 N THR A 584 -11.575 -7.660 0.411 1.00 0.00 N ATOM 382 CA THR A 584 -12.498 -8.791 0.361 1.00 0.00 C ATOM 383 C THR A 584 -13.935 -8.324 0.150 1.00 0.00 C ATOM 384 O THR A 584 -14.879 -9.102 0.294 1.00 0.00 O ATOM 385 CB THR A 584 -12.427 -9.642 1.643 1.00 0.00 C ATOM 386 OG1 THR A 584 -11.128 -9.529 2.236 1.00 0.00 O ATOM 387 CG2 THR A 584 -12.726 -11.102 1.339 1.00 0.00 C ATOM 0 H THR A 584 -10.874 -7.658 -0.330 1.00 0.00 H new ATOM 0 HA THR A 584 -12.191 -9.405 -0.486 1.00 0.00 H new ATOM 0 HB THR A 584 -13.177 -9.271 2.341 1.00 0.00 H new ATOM 0 HG1 THR A 584 -11.092 -10.072 3.051 1.00 0.00 H new ATOM 0 HG21 THR A 584 -12.670 -11.684 2.259 1.00 0.00 H new ATOM 0 HG22 THR A 584 -13.727 -11.188 0.915 1.00 0.00 H new ATOM 0 HG23 THR A 584 -11.996 -11.482 0.624 1.00 0.00 H new ATOM 395 N ASP A 585 -14.093 -7.049 -0.194 1.00 0.00 N ATOM 396 CA ASP A 585 -15.414 -6.477 -0.430 1.00 0.00 C ATOM 397 C ASP A 585 -15.612 -6.176 -1.910 1.00 0.00 C ATOM 398 O ASP A 585 -16.460 -6.779 -2.568 1.00 0.00 O ATOM 399 CB ASP A 585 -15.596 -5.202 0.392 1.00 0.00 C ATOM 400 CG ASP A 585 -16.192 -5.475 1.760 1.00 0.00 C ATOM 401 OD1 ASP A 585 -15.737 -6.429 2.426 1.00 0.00 O ATOM 402 OD2 ASP A 585 -17.112 -4.734 2.165 1.00 0.00 O ATOM 0 H ASP A 585 -13.322 -6.392 -0.315 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.162 -7.206 -0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -14.631 -4.709 0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -16.242 -4.512 -0.151 1.00 0.00 H new ATOM 407 N ASN A 586 -14.820 -5.239 -2.427 1.00 0.00 N ATOM 408 CA ASN A 586 -14.898 -4.853 -3.831 1.00 0.00 C ATOM 409 C ASN A 586 -16.311 -4.414 -4.206 1.00 0.00 C ATOM 410 O ASN A 586 -16.683 -4.420 -5.380 1.00 0.00 O ATOM 411 CB ASN A 586 -14.454 -6.009 -4.722 1.00 0.00 C ATOM 412 CG ASN A 586 -14.019 -5.548 -6.099 1.00 0.00 C ATOM 413 OD1 ASN A 586 -13.738 -4.367 -6.313 1.00 0.00 O ATOM 414 ND2 ASN A 586 -13.962 -6.479 -7.044 1.00 0.00 N ATOM 0 H ASN A 586 -14.115 -4.733 -1.891 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.229 -4.007 -3.984 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -13.630 -6.537 -4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -15.273 -6.721 -4.823 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -13.677 -6.228 -7.991 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -14.203 -7.445 -6.823 1.00 0.00 H new ATOM 421 N VAL A 587 -17.092 -4.030 -3.200 1.00 0.00 N ATOM 422 CA VAL A 587 -18.463 -3.585 -3.423 1.00 0.00 C ATOM 423 C VAL A 587 -18.488 -2.292 -4.231 1.00 0.00 C ATOM 424 O VAL A 587 -19.467 -1.991 -4.915 1.00 0.00 O ATOM 425 CB VAL A 587 -19.207 -3.368 -2.090 1.00 0.00 C ATOM 426 CG1 VAL A 587 -18.564 -2.242 -1.294 1.00 0.00 C ATOM 427 CG2 VAL A 587 -20.681 -3.084 -2.335 1.00 0.00 C ATOM 0 H VAL A 587 -16.798 -4.018 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 587 -18.970 -4.371 -3.983 1.00 0.00 H new ATOM 0 HB VAL A 587 -19.132 -4.284 -1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -19.104 -2.105 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -17.525 -2.494 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -18.602 -1.319 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -21.186 -2.934 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -20.782 -2.186 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -21.133 -3.928 -2.856 1.00 0.00 H new ATOM 437 N GLY A 588 -17.399 -1.531 -4.149 1.00 0.00 N ATOM 438 CA GLY A 588 -17.307 -0.280 -4.875 1.00 0.00 C ATOM 439 C GLY A 588 -15.879 0.218 -4.990 1.00 0.00 C ATOM 440 O GLY A 588 -15.630 1.288 -5.545 1.00 0.00 O ATOM 0 H GLY A 588 -16.577 -1.762 -3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.725 -0.411 -5.873 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.913 0.474 -4.372 1.00 0.00 H new ATOM 444 N VAL A 589 -14.941 -0.564 -4.463 1.00 0.00 N ATOM 445 CA VAL A 589 -13.528 -0.202 -4.506 1.00 0.00 C ATOM 446 C VAL A 589 -13.015 -0.170 -5.942 1.00 0.00 C ATOM 447 O VAL A 589 -13.455 -0.952 -6.786 1.00 0.00 O ATOM 448 CB VAL A 589 -12.669 -1.187 -3.689 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.267 -0.635 -3.486 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.330 -1.489 -2.353 1.00 0.00 C ATOM 0 H VAL A 589 -15.134 -1.453 -4.001 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.442 0.792 -4.068 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.588 -2.119 -4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.677 -1.345 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.795 -0.476 -4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.323 0.312 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.710 -2.186 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.444 -0.565 -1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.311 -1.933 -2.524 1.00 0.00 H new ATOM 460 N THR A 590 -12.082 0.738 -6.211 1.00 0.00 N ATOM 461 CA THR A 590 -11.509 0.873 -7.545 1.00 0.00 C ATOM 462 C THR A 590 -10.023 0.537 -7.541 1.00 0.00 C ATOM 463 O THR A 590 -9.515 -0.086 -8.473 1.00 0.00 O ATOM 464 CB THR A 590 -11.700 2.296 -8.099 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.299 3.262 -7.119 1.00 0.00 O ATOM 466 CG2 THR A 590 -13.151 2.534 -8.486 1.00 0.00 C ATOM 0 H THR A 590 -11.707 1.391 -5.523 1.00 0.00 H new ATOM 0 HA THR A 590 -12.037 0.168 -8.187 1.00 0.00 H new ATOM 0 HB THR A 590 -11.079 2.402 -8.989 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.422 4.165 -7.480 1.00 0.00 H new ATOM 0 HG21 THR A 590 -13.263 3.546 -8.875 1.00 0.00 H new ATOM 0 HG22 THR A 590 -13.446 1.816 -9.252 1.00 0.00 H new ATOM 0 HG23 THR A 590 -13.786 2.410 -7.609 1.00 0.00 H new ATOM 474 N GLY A 591 -9.329 0.955 -6.486 1.00 0.00 N ATOM 475 CA GLY A 591 -7.908 0.689 -6.383 1.00 0.00 C ATOM 476 C GLY A 591 -7.369 0.921 -4.986 1.00 0.00 C ATOM 477 O GLY A 591 -8.100 1.352 -4.092 1.00 0.00 O ATOM 0 H GLY A 591 -9.726 1.473 -5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.714 -0.343 -6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.371 1.327 -7.086 1.00 0.00 H new ATOM 481 N TYR A 592 -6.085 0.634 -4.800 1.00 0.00 N ATOM 482 CA TYR A 592 -5.440 0.811 -3.506 1.00 0.00 C ATOM 483 C TYR A 592 -4.316 1.839 -3.599 1.00 0.00 C ATOM 484 O TYR A 592 -3.684 1.987 -4.645 1.00 0.00 O ATOM 485 CB TYR A 592 -4.889 -0.526 -3.006 1.00 0.00 C ATOM 486 CG TYR A 592 -5.955 -1.578 -2.794 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.424 -2.345 -3.852 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.490 -1.805 -1.532 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.396 -3.307 -3.661 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.463 -2.766 -1.332 1.00 0.00 C ATOM 491 CZ TYR A 592 -7.915 -3.512 -2.408 1.00 0.00 C ATOM 492 OH TYR A 592 -8.881 -4.472 -2.205 1.00 0.00 O ATOM 0 H TYR A 592 -5.470 0.277 -5.531 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.184 1.177 -2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.159 -0.900 -3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.359 -0.363 -2.068 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.022 -2.186 -4.842 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -6.140 -1.221 -0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -7.746 -3.896 -4.496 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -7.868 -2.934 -0.345 1.00 0.00 H new ATOM 0 HH TYR A 592 -8.916 -5.070 -2.980 1.00 0.00 H new ATOM 502 N ASP A 593 -4.077 2.550 -2.504 1.00 0.00 N ATOM 503 CA ASP A 593 -3.032 3.567 -2.464 1.00 0.00 C ATOM 504 C ASP A 593 -2.085 3.327 -1.294 1.00 0.00 C ATOM 505 O ASP A 593 -2.492 3.391 -0.134 1.00 0.00 O ATOM 506 CB ASP A 593 -3.654 4.961 -2.352 1.00 0.00 C ATOM 507 CG ASP A 593 -5.108 4.983 -2.782 1.00 0.00 C ATOM 508 OD1 ASP A 593 -5.367 5.102 -3.998 1.00 0.00 O ATOM 509 OD2 ASP A 593 -5.989 4.882 -1.902 1.00 0.00 O ATOM 0 H ASP A 593 -4.593 2.441 -1.631 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.461 3.503 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -3.578 5.308 -1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.086 5.660 -2.966 1.00 0.00 H new ATOM 514 N VAL A 594 -0.822 3.050 -1.603 1.00 0.00 N ATOM 515 CA VAL A 594 0.174 2.801 -0.573 1.00 0.00 C ATOM 516 C VAL A 594 1.028 4.043 -0.328 1.00 0.00 C ATOM 517 O VAL A 594 1.433 4.726 -1.268 1.00 0.00 O ATOM 518 CB VAL A 594 1.072 1.593 -0.937 1.00 0.00 C ATOM 519 CG1 VAL A 594 0.941 1.248 -2.410 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.529 1.846 -0.568 1.00 0.00 C ATOM 0 H VAL A 594 -0.467 2.993 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.360 2.561 0.347 1.00 0.00 H new ATOM 0 HB VAL A 594 0.728 0.740 -0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.581 0.397 -2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 594 -0.095 0.995 -2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.244 2.104 -3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 594 3.129 0.977 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.894 2.721 -1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.607 2.022 0.505 1.00 0.00 H new ATOM 530 N TYR A 595 1.292 4.331 0.945 1.00 0.00 N ATOM 531 CA TYR A 595 2.088 5.495 1.320 1.00 0.00 C ATOM 532 C TYR A 595 3.530 5.100 1.620 1.00 0.00 C ATOM 533 O TYR A 595 3.850 3.917 1.740 1.00 0.00 O ATOM 534 CB TYR A 595 1.482 6.182 2.546 1.00 0.00 C ATOM 535 CG TYR A 595 0.104 6.757 2.308 1.00 0.00 C ATOM 536 CD1 TYR A 595 -1.003 5.926 2.197 1.00 0.00 C ATOM 537 CD2 TYR A 595 -0.089 8.127 2.192 1.00 0.00 C ATOM 538 CE1 TYR A 595 -2.265 6.445 1.978 1.00 0.00 C ATOM 539 CE2 TYR A 595 -1.347 8.654 1.974 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.430 7.815 1.875 1.00 0.00 C ATOM 541 OH TYR A 595 -3.686 8.332 1.651 1.00 0.00 O ATOM 0 H TYR A 595 0.965 3.773 1.734 1.00 0.00 H new ATOM 0 HA TYR A 595 2.083 6.186 0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 595 1.429 5.463 3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 595 2.148 6.982 2.868 1.00 0.00 H new ATOM 0 HD1 TYR A 595 -0.876 4.857 2.283 1.00 0.00 H new ATOM 0 HD2 TYR A 595 0.758 8.792 2.274 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -3.116 5.786 1.888 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -1.479 9.722 1.882 1.00 0.00 H new ATOM 0 HH TYR A 595 -3.634 9.310 1.605 1.00 0.00 H new ATOM 551 N ASN A 596 4.391 6.103 1.744 1.00 0.00 N ATOM 552 CA ASN A 596 5.801 5.878 2.035 1.00 0.00 C ATOM 553 C ASN A 596 6.285 6.841 3.114 1.00 0.00 C ATOM 554 O ASN A 596 6.777 7.929 2.814 1.00 0.00 O ATOM 555 CB ASN A 596 6.638 6.051 0.767 1.00 0.00 C ATOM 556 CG ASN A 596 8.114 5.803 1.006 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.424 4.780 1.794 1.00 0.00 O flip ATOM 558 ND2 ASN A 596 8.968 6.522 0.488 1.00 0.00 N flip ATOM 0 H ASN A 596 4.135 7.086 1.647 1.00 0.00 H new ATOM 0 HA ASN A 596 5.918 4.858 2.400 1.00 0.00 H new ATOM 0 HB2 ASN A 596 6.277 5.364 0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.501 7.061 0.380 1.00 0.00 H new ATOM 0 HD21 ASN A 596 8.686 7.298 -0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 596 9.958 6.342 0.658 1.00 0.00 H new ATOM 565 N GLY A 597 6.135 6.437 4.371 1.00 0.00 N ATOM 566 CA GLY A 597 6.556 7.277 5.476 1.00 0.00 C ATOM 567 C GLY A 597 5.424 8.131 6.011 1.00 0.00 C ATOM 568 O GLY A 597 5.009 7.976 7.158 1.00 0.00 O ATOM 0 H GLY A 597 5.729 5.542 4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.946 6.650 6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 597 7.372 7.922 5.149 1.00 0.00 H new ATOM 572 N THR A 598 4.924 9.035 5.173 1.00 0.00 N ATOM 573 CA THR A 598 3.833 9.919 5.563 1.00 0.00 C ATOM 574 C THR A 598 3.019 10.355 4.351 1.00 0.00 C ATOM 575 O THR A 598 1.793 10.450 4.414 1.00 0.00 O ATOM 576 CB THR A 598 4.356 11.170 6.291 1.00 0.00 C ATOM 577 OG1 THR A 598 5.603 11.583 5.721 1.00 0.00 O ATOM 578 CG2 THR A 598 4.539 10.896 7.776 1.00 0.00 C ATOM 0 H THR A 598 5.258 9.174 4.219 1.00 0.00 H new ATOM 0 HA THR A 598 3.195 9.353 6.242 1.00 0.00 H new ATOM 0 HB THR A 598 3.621 11.966 6.172 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.928 12.381 6.189 1.00 0.00 H new ATOM 0 HG21 THR A 598 4.909 11.795 8.269 1.00 0.00 H new ATOM 0 HG22 THR A 598 3.583 10.610 8.214 1.00 0.00 H new ATOM 0 HG23 THR A 598 5.256 10.087 7.911 1.00 0.00 H new ATOM 586 N ALA A 599 3.710 10.620 3.248 1.00 0.00 N ATOM 587 CA ALA A 599 3.054 11.049 2.019 1.00 0.00 C ATOM 588 C ALA A 599 2.686 9.852 1.148 1.00 0.00 C ATOM 589 O ALA A 599 3.085 8.722 1.428 1.00 0.00 O ATOM 590 CB ALA A 599 3.948 12.008 1.250 1.00 0.00 C ATOM 0 H ALA A 599 4.725 10.545 3.180 1.00 0.00 H new ATOM 0 HA ALA A 599 2.133 11.567 2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 599 3.445 12.320 0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 599 4.157 12.883 1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 599 4.884 11.510 0.998 1.00 0.00 H new ATOM 596 N LEU A 600 1.923 10.110 0.092 1.00 0.00 N ATOM 597 CA LEU A 600 1.498 9.056 -0.823 1.00 0.00 C ATOM 598 C LEU A 600 2.646 8.621 -1.728 1.00 0.00 C ATOM 599 O LEU A 600 3.347 9.455 -2.302 1.00 0.00 O ATOM 600 CB LEU A 600 0.317 9.533 -1.672 1.00 0.00 C ATOM 601 CG LEU A 600 -0.495 8.430 -2.362 1.00 0.00 C ATOM 602 CD1 LEU A 600 0.074 8.136 -3.740 1.00 0.00 C ATOM 603 CD2 LEU A 600 -0.534 7.162 -1.518 1.00 0.00 C ATOM 0 H LEU A 600 1.585 11.041 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 600 1.186 8.199 -0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.355 10.109 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.694 10.213 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 600 -1.519 8.787 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -0.513 7.351 -4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 600 0.036 9.039 -4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 600 1.109 7.807 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -1.117 6.399 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 600 0.481 6.798 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 600 -0.994 7.380 -0.554 1.00 0.00 H new ATOM 615 N ALA A 601 2.830 7.310 -1.853 1.00 0.00 N ATOM 616 CA ALA A 601 3.889 6.765 -2.691 1.00 0.00 C ATOM 617 C ALA A 601 3.337 6.318 -4.042 1.00 0.00 C ATOM 618 O ALA A 601 2.996 7.149 -4.885 1.00 0.00 O ATOM 619 CB ALA A 601 4.583 5.612 -1.978 1.00 0.00 C ATOM 0 H ALA A 601 2.259 6.607 -1.384 1.00 0.00 H new ATOM 0 HA ALA A 601 4.624 7.549 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.373 5.213 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 601 5.016 5.970 -1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 601 3.858 4.827 -1.764 1.00 0.00 H new ATOM 625 N THR A 602 3.249 5.005 -4.249 1.00 0.00 N ATOM 626 CA THR A 602 2.735 4.467 -5.504 1.00 0.00 C ATOM 627 C THR A 602 1.228 4.243 -5.442 1.00 0.00 C ATOM 628 O THR A 602 0.619 4.289 -4.369 1.00 0.00 O ATOM 629 CB THR A 602 3.430 3.144 -5.882 1.00 0.00 C ATOM 630 OG1 THR A 602 3.128 2.803 -7.241 1.00 0.00 O ATOM 631 CG2 THR A 602 2.989 2.015 -4.964 1.00 0.00 C ATOM 0 H THR A 602 3.526 4.299 -3.567 1.00 0.00 H new ATOM 0 HA THR A 602 2.951 5.211 -6.271 1.00 0.00 H new ATOM 0 HB THR A 602 4.505 3.282 -5.770 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.856 2.262 -7.612 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.494 1.093 -5.252 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.246 2.262 -3.934 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.911 1.879 -5.047 1.00 0.00 H new ATOM 639 N THR A 603 0.636 3.993 -6.605 1.00 0.00 N ATOM 640 CA THR A 603 -0.797 3.753 -6.706 1.00 0.00 C ATOM 641 C THR A 603 -1.073 2.506 -7.537 1.00 0.00 C ATOM 642 O THR A 603 -0.492 2.322 -8.607 1.00 0.00 O ATOM 643 CB THR A 603 -1.525 4.955 -7.338 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.110 6.169 -6.700 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.034 4.801 -7.219 1.00 0.00 C ATOM 0 H THR A 603 1.131 3.951 -7.496 1.00 0.00 H new ATOM 0 HA THR A 603 -1.174 3.609 -5.694 1.00 0.00 H new ATOM 0 HB THR A 603 -1.265 4.994 -8.396 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.576 6.929 -7.108 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.525 5.662 -7.673 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.349 3.892 -7.732 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.311 4.738 -6.167 1.00 0.00 H new ATOM 653 N VAL A 604 -1.954 1.648 -7.037 1.00 0.00 N ATOM 654 CA VAL A 604 -2.294 0.414 -7.732 1.00 0.00 C ATOM 655 C VAL A 604 -3.792 0.140 -7.686 1.00 0.00 C ATOM 656 O VAL A 604 -4.571 0.964 -7.207 1.00 0.00 O ATOM 657 CB VAL A 604 -1.545 -0.788 -7.128 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.060 -0.700 -7.438 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.780 -0.861 -5.626 1.00 0.00 C ATOM 0 H VAL A 604 -2.445 1.784 -6.154 1.00 0.00 H new ATOM 0 HA VAL A 604 -1.990 0.545 -8.771 1.00 0.00 H new ATOM 0 HB VAL A 604 -1.933 -1.701 -7.579 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.454 -1.558 -7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 604 0.087 -0.698 -8.518 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.346 0.219 -7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.244 -1.716 -5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.419 0.054 -5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.846 -0.973 -5.430 1.00 0.00 H new ATOM 669 N THR A 605 -4.184 -1.027 -8.188 1.00 0.00 N ATOM 670 CA THR A 605 -5.587 -1.425 -8.208 1.00 0.00 C ATOM 671 C THR A 605 -5.744 -2.897 -7.841 1.00 0.00 C ATOM 672 O THR A 605 -6.842 -3.354 -7.524 1.00 0.00 O ATOM 673 CB THR A 605 -6.221 -1.188 -9.592 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.630 -2.065 -10.559 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.040 0.256 -10.035 1.00 0.00 C ATOM 0 H THR A 605 -3.547 -1.716 -8.588 1.00 0.00 H new ATOM 0 HA THR A 605 -6.100 -0.808 -7.470 1.00 0.00 H new ATOM 0 HB THR A 605 -7.288 -1.396 -9.515 1.00 0.00 H new ATOM 0 HG1 THR A 605 -6.040 -1.909 -11.435 1.00 0.00 H new ATOM 0 HG21 THR A 605 -6.497 0.396 -11.015 1.00 0.00 H new ATOM 0 HG22 THR A 605 -6.517 0.920 -9.314 1.00 0.00 H new ATOM 0 HG23 THR A 605 -4.977 0.488 -10.094 1.00 0.00 H new ATOM 683 N GLY A 606 -4.637 -3.635 -7.892 1.00 0.00 N ATOM 684 CA GLY A 606 -4.671 -5.049 -7.568 1.00 0.00 C ATOM 685 C GLY A 606 -4.195 -5.339 -6.157 1.00 0.00 C ATOM 686 O GLY A 606 -4.402 -4.534 -5.247 1.00 0.00 O ATOM 0 H GLY A 606 -3.718 -3.277 -8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.689 -5.420 -7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.048 -5.595 -8.276 1.00 0.00 H new ATOM 690 N THR A 607 -3.558 -6.492 -5.974 1.00 0.00 N ATOM 691 CA THR A 607 -3.053 -6.890 -4.666 1.00 0.00 C ATOM 692 C THR A 607 -1.538 -6.728 -4.587 1.00 0.00 C ATOM 693 O THR A 607 -0.881 -7.335 -3.742 1.00 0.00 O ATOM 694 CB THR A 607 -3.415 -8.351 -4.344 1.00 0.00 C ATOM 695 OG1 THR A 607 -3.332 -9.151 -5.529 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.818 -8.444 -3.761 1.00 0.00 C ATOM 0 H THR A 607 -3.380 -7.167 -6.717 1.00 0.00 H new ATOM 0 HA THR A 607 -3.526 -6.235 -3.934 1.00 0.00 H new ATOM 0 HB THR A 607 -2.705 -8.723 -3.606 1.00 0.00 H new ATOM 0 HG1 THR A 607 -3.562 -10.079 -5.314 1.00 0.00 H new ATOM 0 HG21 THR A 607 -5.052 -9.486 -3.541 1.00 0.00 H new ATOM 0 HG22 THR A 607 -4.870 -7.859 -2.843 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.538 -8.054 -4.481 1.00 0.00 H new ATOM 704 N THR A 608 -0.991 -5.905 -5.475 1.00 0.00 N ATOM 705 CA THR A 608 0.446 -5.661 -5.510 1.00 0.00 C ATOM 706 C THR A 608 0.743 -4.177 -5.695 1.00 0.00 C ATOM 707 O THR A 608 -0.114 -3.415 -6.139 1.00 0.00 O ATOM 708 CB THR A 608 1.123 -6.452 -6.643 1.00 0.00 C ATOM 709 OG1 THR A 608 0.469 -6.185 -7.889 1.00 0.00 O ATOM 710 CG2 THR A 608 1.087 -7.946 -6.357 1.00 0.00 C ATOM 0 H THR A 608 -1.522 -5.395 -6.181 1.00 0.00 H new ATOM 0 HA THR A 608 0.848 -5.996 -4.554 1.00 0.00 H new ATOM 0 HB THR A 608 2.164 -6.134 -6.704 1.00 0.00 H new ATOM 0 HG1 THR A 608 0.908 -6.691 -8.604 1.00 0.00 H new ATOM 0 HG21 THR A 608 1.571 -8.484 -7.172 1.00 0.00 H new ATOM 0 HG22 THR A 608 1.612 -8.151 -5.424 1.00 0.00 H new ATOM 0 HG23 THR A 608 0.051 -8.275 -6.270 1.00 0.00 H new ATOM 718 N ALA A 609 1.964 -3.776 -5.355 1.00 0.00 N ATOM 719 CA ALA A 609 2.377 -2.383 -5.487 1.00 0.00 C ATOM 720 C ALA A 609 3.802 -2.285 -6.014 1.00 0.00 C ATOM 721 O ALA A 609 4.636 -3.149 -5.740 1.00 0.00 O ATOM 722 CB ALA A 609 2.258 -1.667 -4.151 1.00 0.00 C ATOM 0 H ALA A 609 2.685 -4.396 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 609 1.715 -1.899 -6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.570 -0.629 -4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 609 1.223 -1.700 -3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.896 -2.158 -3.417 1.00 0.00 H new ATOM 728 N THR A 610 4.078 -1.227 -6.768 1.00 0.00 N ATOM 729 CA THR A 610 5.406 -1.017 -7.331 1.00 0.00 C ATOM 730 C THR A 610 5.878 0.416 -7.111 1.00 0.00 C ATOM 731 O THR A 610 5.404 1.344 -7.766 1.00 0.00 O ATOM 732 CB THR A 610 5.433 -1.327 -8.840 1.00 0.00 C ATOM 733 OG1 THR A 610 4.301 -2.131 -9.198 1.00 0.00 O ATOM 734 CG2 THR A 610 6.715 -2.053 -9.220 1.00 0.00 C ATOM 0 H THR A 610 3.400 -0.502 -7.003 1.00 0.00 H new ATOM 0 HA THR A 610 6.078 -1.702 -6.814 1.00 0.00 H new ATOM 0 HB THR A 610 5.393 -0.382 -9.382 1.00 0.00 H new ATOM 0 HG1 THR A 610 4.326 -2.321 -10.159 1.00 0.00 H new ATOM 0 HG21 THR A 610 6.712 -2.261 -10.290 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.574 -1.428 -8.975 1.00 0.00 H new ATOM 0 HG23 THR A 610 6.779 -2.991 -8.668 1.00 0.00 H new ATOM 742 N ILE A 611 6.817 0.587 -6.186 1.00 0.00 N ATOM 743 CA ILE A 611 7.357 1.906 -5.880 1.00 0.00 C ATOM 744 C ILE A 611 8.699 2.116 -6.573 1.00 0.00 C ATOM 745 O ILE A 611 9.634 1.341 -6.380 1.00 0.00 O ATOM 746 CB ILE A 611 7.535 2.107 -4.360 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.190 1.973 -3.645 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.159 3.464 -4.071 1.00 0.00 C ATOM 749 CD1 ILE A 611 6.107 0.773 -2.726 1.00 0.00 C ATOM 0 H ILE A 611 7.219 -0.172 -5.636 1.00 0.00 H new ATOM 0 HA ILE A 611 6.638 2.638 -6.248 1.00 0.00 H new ATOM 0 HB ILE A 611 8.206 1.334 -3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 611 6.005 2.877 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.397 1.904 -4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.277 3.588 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.135 3.526 -4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.513 4.252 -4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 611 5.125 0.743 -2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.260 -0.139 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.877 0.849 -1.958 1.00 0.00 H new ATOM 761 N SER A 612 8.785 3.168 -7.382 1.00 0.00 N ATOM 762 CA SER A 612 10.014 3.477 -8.105 1.00 0.00 C ATOM 763 C SER A 612 10.793 4.586 -7.406 1.00 0.00 C ATOM 764 O SER A 612 10.309 5.194 -6.451 1.00 0.00 O ATOM 765 CB SER A 612 9.696 3.886 -9.544 1.00 0.00 C ATOM 766 OG SER A 612 9.042 5.142 -9.586 1.00 0.00 O ATOM 0 H SER A 612 8.019 3.820 -7.553 1.00 0.00 H new ATOM 0 HA SER A 612 10.632 2.580 -8.120 1.00 0.00 H new ATOM 0 HB2 SER A 612 10.618 3.933 -10.124 1.00 0.00 H new ATOM 0 HB3 SER A 612 9.065 3.129 -10.009 1.00 0.00 H new ATOM 0 HG SER A 612 8.852 5.381 -10.517 1.00 0.00 H new ATOM 772 N GLY A 613 12.004 4.845 -7.891 1.00 0.00 N ATOM 773 CA GLY A 613 12.835 5.881 -7.303 1.00 0.00 C ATOM 774 C GLY A 613 13.453 5.448 -5.988 1.00 0.00 C ATOM 775 O GLY A 613 14.564 4.919 -5.962 1.00 0.00 O ATOM 0 H GLY A 613 12.425 4.356 -8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 613 13.627 6.149 -8.003 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.235 6.777 -7.142 1.00 0.00 H new ATOM 779 N LEU A 614 12.722 5.666 -4.898 1.00 0.00 N ATOM 780 CA LEU A 614 13.183 5.292 -3.565 1.00 0.00 C ATOM 781 C LEU A 614 14.621 5.753 -3.319 1.00 0.00 C ATOM 782 O LEU A 614 15.103 6.686 -3.961 1.00 0.00 O ATOM 783 CB LEU A 614 13.073 3.780 -3.395 1.00 0.00 C ATOM 784 CG LEU A 614 11.778 3.293 -2.753 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.402 1.921 -3.289 1.00 0.00 C ATOM 786 CD2 LEU A 614 11.922 3.257 -1.244 1.00 0.00 C ATOM 0 H LEU A 614 11.801 6.103 -4.913 1.00 0.00 H new ATOM 0 HA LEU A 614 12.550 5.789 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 614 13.173 3.312 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 614 13.912 3.436 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 614 10.979 3.989 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.476 1.589 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 614 11.262 1.978 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 614 12.198 1.211 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.991 2.908 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 614 12.731 2.579 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 614 12.148 4.258 -0.876 1.00 0.00 H new ATOM 798 N ALA A 615 15.299 5.090 -2.384 1.00 0.00 N ATOM 799 CA ALA A 615 16.679 5.427 -2.049 1.00 0.00 C ATOM 800 C ALA A 615 17.331 4.305 -1.247 1.00 0.00 C ATOM 801 O ALA A 615 16.731 3.770 -0.316 1.00 0.00 O ATOM 802 CB ALA A 615 16.732 6.734 -1.273 1.00 0.00 C ATOM 0 H ALA A 615 14.913 4.315 -1.845 1.00 0.00 H new ATOM 0 HA ALA A 615 17.236 5.550 -2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 615 17.768 6.971 -1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 615 16.308 7.535 -1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 615 16.158 6.634 -0.352 1.00 0.00 H new ATOM 808 N ALA A 616 18.558 3.951 -1.617 1.00 0.00 N ATOM 809 CA ALA A 616 19.286 2.885 -0.934 1.00 0.00 C ATOM 810 C ALA A 616 19.951 3.391 0.342 1.00 0.00 C ATOM 811 O ALA A 616 20.062 4.598 0.561 1.00 0.00 O ATOM 812 CB ALA A 616 20.324 2.280 -1.866 1.00 0.00 C ATOM 0 H ALA A 616 19.069 4.386 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 616 18.567 2.116 -0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 616 20.861 1.486 -1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 616 19.828 1.868 -2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.028 3.052 -2.176 1.00 0.00 H new ATOM 818 N ASP A 617 20.392 2.455 1.181 1.00 0.00 N ATOM 819 CA ASP A 617 21.050 2.790 2.439 1.00 0.00 C ATOM 820 C ASP A 617 20.141 3.635 3.329 1.00 0.00 C ATOM 821 O ASP A 617 20.606 4.526 4.040 1.00 0.00 O ATOM 822 CB ASP A 617 22.361 3.535 2.175 1.00 0.00 C ATOM 823 CG ASP A 617 23.556 2.603 2.102 1.00 0.00 C ATOM 824 OD1 ASP A 617 23.347 1.373 2.026 1.00 0.00 O ATOM 825 OD2 ASP A 617 24.701 3.102 2.122 1.00 0.00 O ATOM 0 H ASP A 617 20.304 1.453 1.009 1.00 0.00 H new ATOM 0 HA ASP A 617 21.269 1.857 2.959 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.278 4.088 1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.524 4.268 2.965 1.00 0.00 H new ATOM 830 N THR A 618 18.844 3.347 3.286 1.00 0.00 N ATOM 831 CA THR A 618 17.872 4.078 4.090 1.00 0.00 C ATOM 832 C THR A 618 16.809 3.142 4.657 1.00 0.00 C ATOM 833 O THR A 618 16.705 1.985 4.251 1.00 0.00 O ATOM 834 CB THR A 618 17.178 5.180 3.267 1.00 0.00 C ATOM 835 OG1 THR A 618 17.840 5.343 2.007 1.00 0.00 O ATOM 836 CG2 THR A 618 17.179 6.502 4.021 1.00 0.00 C ATOM 0 H THR A 618 18.442 2.613 2.703 1.00 0.00 H new ATOM 0 HA THR A 618 18.424 4.537 4.910 1.00 0.00 H new ATOM 0 HB THR A 618 16.145 4.878 3.097 1.00 0.00 H new ATOM 0 HG1 THR A 618 17.398 4.788 1.331 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.684 7.264 3.420 1.00 0.00 H new ATOM 0 HG22 THR A 618 16.648 6.383 4.965 1.00 0.00 H new ATOM 0 HG23 THR A 618 18.207 6.807 4.219 1.00 0.00 H new ATOM 844 N SER A 619 16.016 3.657 5.590 1.00 0.00 N ATOM 845 CA SER A 619 14.949 2.876 6.208 1.00 0.00 C ATOM 846 C SER A 619 13.589 3.466 5.849 1.00 0.00 C ATOM 847 O SER A 619 13.316 4.632 6.133 1.00 0.00 O ATOM 848 CB SER A 619 15.123 2.842 7.728 1.00 0.00 C ATOM 849 OG SER A 619 16.494 2.897 8.086 1.00 0.00 O ATOM 0 H SER A 619 16.092 4.614 5.936 1.00 0.00 H new ATOM 0 HA SER A 619 15.002 1.856 5.829 1.00 0.00 H new ATOM 0 HB2 SER A 619 14.593 3.682 8.177 1.00 0.00 H new ATOM 0 HB3 SER A 619 14.676 1.932 8.128 1.00 0.00 H new ATOM 0 HG SER A 619 16.578 2.876 9.062 1.00 0.00 H new ATOM 855 N TYR A 620 12.745 2.663 5.208 1.00 0.00 N ATOM 856 CA TYR A 620 11.424 3.126 4.797 1.00 0.00 C ATOM 857 C TYR A 620 10.309 2.258 5.374 1.00 0.00 C ATOM 858 O TYR A 620 10.489 1.062 5.605 1.00 0.00 O ATOM 859 CB TYR A 620 11.320 3.138 3.271 1.00 0.00 C ATOM 860 CG TYR A 620 12.130 4.231 2.612 1.00 0.00 C ATOM 861 CD1 TYR A 620 11.642 5.529 2.534 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.382 3.966 2.071 1.00 0.00 C ATOM 863 CE1 TYR A 620 12.379 6.533 1.937 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.126 4.965 1.473 1.00 0.00 C ATOM 865 CZ TYR A 620 13.621 6.238 1.394 1.00 0.00 C ATOM 866 OH TYR A 620 14.357 7.244 0.812 1.00 0.00 O ATOM 0 H TYR A 620 12.950 1.694 4.963 1.00 0.00 H new ATOM 0 HA TYR A 620 11.301 4.137 5.186 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.649 2.173 2.886 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.274 3.254 2.989 1.00 0.00 H new ATOM 0 HD1 TYR A 620 10.670 5.757 2.947 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.780 2.963 2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 620 11.991 7.540 1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 620 15.103 4.744 1.069 1.00 0.00 H new ATOM 0 HH TYR A 620 15.152 7.424 1.356 1.00 0.00 H new ATOM 876 N THR A 621 9.152 2.878 5.579 1.00 0.00 N ATOM 877 CA THR A 621 7.979 2.189 6.101 1.00 0.00 C ATOM 878 C THR A 621 6.802 2.383 5.151 1.00 0.00 C ATOM 879 O THR A 621 6.516 3.504 4.730 1.00 0.00 O ATOM 880 CB THR A 621 7.592 2.705 7.501 1.00 0.00 C ATOM 881 OG1 THR A 621 7.957 4.084 7.635 1.00 0.00 O ATOM 882 CG2 THR A 621 8.276 1.887 8.588 1.00 0.00 C ATOM 0 H THR A 621 9.002 3.869 5.389 1.00 0.00 H new ATOM 0 HA THR A 621 8.226 1.131 6.184 1.00 0.00 H new ATOM 0 HB THR A 621 6.513 2.603 7.615 1.00 0.00 H new ATOM 0 HG1 THR A 621 7.706 4.404 8.527 1.00 0.00 H new ATOM 0 HG21 THR A 621 7.988 2.270 9.567 1.00 0.00 H new ATOM 0 HG22 THR A 621 7.973 0.843 8.503 1.00 0.00 H new ATOM 0 HG23 THR A 621 9.357 1.962 8.473 1.00 0.00 H new ATOM 890 N PHE A 622 6.137 1.290 4.791 1.00 0.00 N ATOM 891 CA PHE A 622 5.013 1.366 3.863 1.00 0.00 C ATOM 892 C PHE A 622 3.692 0.978 4.518 1.00 0.00 C ATOM 893 O PHE A 622 3.656 0.236 5.500 1.00 0.00 O ATOM 894 CB PHE A 622 5.268 0.467 2.653 1.00 0.00 C ATOM 895 CG PHE A 622 6.391 0.942 1.775 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.208 2.011 0.913 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.628 0.319 1.812 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.237 2.449 0.103 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.661 0.754 1.005 1.00 0.00 C ATOM 900 CZ PHE A 622 8.470 1.823 0.155 1.00 0.00 C ATOM 0 H PHE A 622 6.353 0.350 5.123 1.00 0.00 H new ATOM 0 HA PHE A 622 4.931 2.405 3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.492 -0.541 3.001 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.356 0.404 2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.250 2.507 0.874 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.786 -0.516 2.479 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.080 3.279 -0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.619 0.257 1.040 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.281 2.171 -0.468 1.00 0.00 H new ATOM 910 N THR A 623 2.607 1.483 3.940 1.00 0.00 N ATOM 911 CA THR A 623 1.258 1.206 4.416 1.00 0.00 C ATOM 912 C THR A 623 0.289 1.231 3.241 1.00 0.00 C ATOM 913 O THR A 623 0.504 1.960 2.274 1.00 0.00 O ATOM 914 CB THR A 623 0.801 2.231 5.471 1.00 0.00 C ATOM 915 OG1 THR A 623 1.208 3.550 5.085 1.00 0.00 O ATOM 916 CG2 THR A 623 1.381 1.899 6.838 1.00 0.00 C ATOM 0 H THR A 623 2.639 2.097 3.126 1.00 0.00 H new ATOM 0 HA THR A 623 1.266 0.221 4.883 1.00 0.00 H new ATOM 0 HB THR A 623 -0.286 2.190 5.534 1.00 0.00 H new ATOM 0 HG1 THR A 623 0.912 4.195 5.761 1.00 0.00 H new ATOM 0 HG21 THR A 623 1.044 2.637 7.565 1.00 0.00 H new ATOM 0 HG22 THR A 623 1.046 0.908 7.145 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.470 1.913 6.785 1.00 0.00 H new ATOM 924 N VAL A 624 -0.767 0.429 3.309 1.00 0.00 N ATOM 925 CA VAL A 624 -1.738 0.377 2.222 1.00 0.00 C ATOM 926 C VAL A 624 -3.117 0.849 2.666 1.00 0.00 C ATOM 927 O VAL A 624 -3.468 0.766 3.842 1.00 0.00 O ATOM 928 CB VAL A 624 -1.855 -1.041 1.633 1.00 0.00 C ATOM 929 CG1 VAL A 624 -0.974 -1.177 0.401 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.490 -2.090 2.671 1.00 0.00 C ATOM 0 H VAL A 624 -0.972 -0.188 4.095 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.367 1.054 1.452 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.891 -1.205 1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.068 -2.185 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.287 -0.453 -0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 624 0.065 -0.991 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.580 -3.083 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.464 -1.932 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -2.164 -2.008 3.524 1.00 0.00 H new ATOM 940 N LYS A 625 -3.892 1.346 1.706 1.00 0.00 N ATOM 941 CA LYS A 625 -5.236 1.839 1.976 1.00 0.00 C ATOM 942 C LYS A 625 -6.193 1.434 0.858 1.00 0.00 C ATOM 943 O LYS A 625 -5.768 0.914 -0.175 1.00 0.00 O ATOM 944 CB LYS A 625 -5.221 3.360 2.124 1.00 0.00 C ATOM 945 CG LYS A 625 -5.185 3.828 3.569 1.00 0.00 C ATOM 946 CD LYS A 625 -6.355 4.745 3.885 1.00 0.00 C ATOM 947 CE LYS A 625 -6.024 5.696 5.024 1.00 0.00 C ATOM 948 NZ LYS A 625 -6.454 7.090 4.726 1.00 0.00 N ATOM 0 H LYS A 625 -3.608 1.417 0.729 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.583 1.394 2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.353 3.760 1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -6.105 3.773 1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -5.208 2.964 4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -4.248 4.352 3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.620 5.318 2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -7.227 4.147 4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -6.511 5.353 5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -4.950 5.679 5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -6.210 7.707 5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -5.970 7.427 3.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -7.482 7.111 4.573 1.00 0.00 H new ATOM 962 N ALA A 626 -7.484 1.674 1.067 1.00 0.00 N ATOM 963 CA ALA A 626 -8.496 1.332 0.074 1.00 0.00 C ATOM 964 C ALA A 626 -9.405 2.520 -0.223 1.00 0.00 C ATOM 965 O ALA A 626 -9.993 3.104 0.687 1.00 0.00 O ATOM 966 CB ALA A 626 -9.321 0.145 0.548 1.00 0.00 C ATOM 0 H ALA A 626 -7.854 2.104 1.915 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.982 1.062 -0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -10.072 -0.099 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.668 -0.714 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.815 0.397 1.487 1.00 0.00 H new ATOM 972 N LYS A 627 -9.518 2.870 -1.501 1.00 0.00 N ATOM 973 CA LYS A 627 -10.359 3.990 -1.914 1.00 0.00 C ATOM 974 C LYS A 627 -11.508 3.514 -2.799 1.00 0.00 C ATOM 975 O LYS A 627 -11.393 2.502 -3.492 1.00 0.00 O ATOM 976 CB LYS A 627 -9.526 5.032 -2.662 1.00 0.00 C ATOM 977 CG LYS A 627 -8.691 4.447 -3.788 1.00 0.00 C ATOM 978 CD LYS A 627 -9.169 4.935 -5.146 1.00 0.00 C ATOM 979 CE LYS A 627 -8.205 5.945 -5.747 1.00 0.00 C ATOM 980 NZ LYS A 627 -8.339 6.025 -7.227 1.00 0.00 N ATOM 0 H LYS A 627 -9.039 2.396 -2.267 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.779 4.444 -1.016 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.192 5.792 -3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -8.866 5.534 -1.954 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.646 4.722 -3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -8.741 3.359 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -9.276 4.086 -5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -10.155 5.388 -5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -8.390 6.927 -5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -7.182 5.669 -5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -7.665 6.724 -7.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -8.138 5.094 -7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -9.308 6.313 -7.473 1.00 0.00 H new ATOM 994 N ASP A 628 -12.613 4.252 -2.770 1.00 0.00 N ATOM 995 CA ASP A 628 -13.785 3.911 -3.571 1.00 0.00 C ATOM 996 C ASP A 628 -13.981 4.914 -4.705 1.00 0.00 C ATOM 997 O ASP A 628 -13.243 5.894 -4.814 1.00 0.00 O ATOM 998 CB ASP A 628 -15.037 3.866 -2.690 1.00 0.00 C ATOM 999 CG ASP A 628 -15.128 2.592 -1.872 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -14.327 1.667 -2.125 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -15.998 2.519 -0.980 1.00 0.00 O ATOM 0 H ASP A 628 -12.722 5.091 -2.200 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.621 2.926 -4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.036 4.725 -2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -15.923 3.954 -3.319 1.00 0.00 H new ATOM 1006 N ALA A 629 -14.979 4.661 -5.547 1.00 0.00 N ATOM 1007 CA ALA A 629 -15.272 5.541 -6.674 1.00 0.00 C ATOM 1008 C ALA A 629 -16.270 6.626 -6.282 1.00 0.00 C ATOM 1009 O ALA A 629 -17.228 6.893 -7.009 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.800 4.732 -7.850 1.00 0.00 C ATOM 0 H ALA A 629 -15.598 3.854 -5.470 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.345 6.031 -6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -16.015 5.400 -8.684 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -15.051 4.001 -8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.713 4.215 -7.555 1.00 0.00 H new ATOM 1016 N ALA A 630 -16.040 7.248 -5.132 1.00 0.00 N ATOM 1017 CA ALA A 630 -16.919 8.303 -4.645 1.00 0.00 C ATOM 1018 C ALA A 630 -16.145 9.321 -3.816 1.00 0.00 C ATOM 1019 O ALA A 630 -16.516 10.493 -3.750 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.055 7.708 -3.827 1.00 0.00 C ATOM 0 H ALA A 630 -15.252 7.040 -4.519 1.00 0.00 H new ATOM 0 HA ALA A 630 -17.340 8.819 -5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.704 8.508 -3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -18.632 7.024 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.645 7.166 -2.975 1.00 0.00 H new ATOM 1026 N GLY A 631 -15.069 8.864 -3.185 1.00 0.00 N ATOM 1027 CA GLY A 631 -14.257 9.745 -2.365 1.00 0.00 C ATOM 1028 C GLY A 631 -14.128 9.248 -0.938 1.00 0.00 C ATOM 1029 O GLY A 631 -13.578 9.939 -0.081 1.00 0.00 O ATOM 0 H GLY A 631 -14.744 7.898 -3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -13.265 9.836 -2.807 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -14.697 10.742 -2.362 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.639 8.047 -0.686 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.582 7.454 0.645 1.00 0.00 C ATOM 1035 C ASN A 632 -13.401 6.498 0.765 1.00 0.00 C ATOM 1036 O ASN A 632 -13.307 5.515 0.031 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.883 6.710 0.953 1.00 0.00 C ATOM 1038 CG ASN A 632 -17.114 7.516 0.586 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -17.368 7.783 -0.589 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -17.885 7.907 1.592 1.00 0.00 N ATOM 0 H ASN A 632 -15.098 7.465 -1.387 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.451 8.260 1.367 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.895 5.766 0.409 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.916 6.466 2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -18.727 8.452 1.407 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -17.636 7.663 2.550 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.500 6.795 1.697 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.324 5.964 1.916 1.00 0.00 C ATOM 1049 C VAL A 633 -11.348 5.335 3.306 1.00 0.00 C ATOM 1050 O VAL A 633 -11.852 5.929 4.259 1.00 0.00 O ATOM 1051 CB VAL A 633 -10.024 6.772 1.747 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -9.801 7.683 2.943 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -8.835 5.844 1.550 1.00 0.00 C ATOM 0 H VAL A 633 -12.563 7.606 2.312 1.00 0.00 H new ATOM 0 HA VAL A 633 -11.348 5.175 1.164 1.00 0.00 H new ATOM 0 HB VAL A 633 -10.122 7.393 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -8.878 8.245 2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -10.638 8.376 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -9.728 7.082 3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -7.927 6.436 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -8.734 5.193 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -8.991 5.238 0.658 1.00 0.00 H new ATOM 1063 N SER A 634 -10.796 4.131 3.415 1.00 0.00 N ATOM 1064 CA SER A 634 -10.749 3.426 4.689 1.00 0.00 C ATOM 1065 C SER A 634 -9.549 3.883 5.511 1.00 0.00 C ATOM 1066 O SER A 634 -9.001 4.959 5.274 1.00 0.00 O ATOM 1067 CB SER A 634 -10.686 1.915 4.459 1.00 0.00 C ATOM 1068 OG SER A 634 -11.568 1.229 5.331 1.00 0.00 O ATOM 0 H SER A 634 -10.375 3.624 2.636 1.00 0.00 H new ATOM 0 HA SER A 634 -11.658 3.659 5.244 1.00 0.00 H new ATOM 0 HB2 SER A 634 -10.945 1.690 3.424 1.00 0.00 H new ATOM 0 HB3 SER A 634 -9.667 1.562 4.616 1.00 0.00 H new ATOM 0 HG SER A 634 -12.429 1.090 4.883 1.00 0.00 H new ATOM 1074 N ALA A 635 -9.144 3.062 6.475 1.00 0.00 N ATOM 1075 CA ALA A 635 -8.006 3.386 7.325 1.00 0.00 C ATOM 1076 C ALA A 635 -6.709 2.854 6.724 1.00 0.00 C ATOM 1077 O ALA A 635 -6.721 2.194 5.686 1.00 0.00 O ATOM 1078 CB ALA A 635 -8.215 2.825 8.722 1.00 0.00 C ATOM 0 H ALA A 635 -9.587 2.168 6.686 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.927 4.471 7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.357 3.075 9.346 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -9.117 3.256 9.156 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.321 1.742 8.667 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.591 3.142 7.383 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.290 2.686 6.910 1.00 0.00 C ATOM 1086 C ALA A 636 -3.968 1.299 7.452 1.00 0.00 C ATOM 1087 O ALA A 636 -4.415 0.928 8.538 1.00 0.00 O ATOM 1088 CB ALA A 636 -3.206 3.675 7.309 1.00 0.00 C ATOM 0 H ALA A 636 -5.560 3.688 8.244 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.326 2.625 5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.240 3.321 6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.422 4.649 6.870 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -3.178 3.765 8.395 1.00 0.00 H new ATOM 1094 N SER A 637 -3.191 0.536 6.690 1.00 0.00 N ATOM 1095 CA SER A 637 -2.809 -0.811 7.093 1.00 0.00 C ATOM 1096 C SER A 637 -1.568 -0.787 7.976 1.00 0.00 C ATOM 1097 O SER A 637 -1.104 0.278 8.385 1.00 0.00 O ATOM 1098 CB SER A 637 -2.554 -1.681 5.866 1.00 0.00 C ATOM 1099 OG SER A 637 -3.109 -2.973 6.033 1.00 0.00 O ATOM 0 H SER A 637 -2.814 0.829 5.789 1.00 0.00 H new ATOM 0 HA SER A 637 -3.633 -1.235 7.667 1.00 0.00 H new ATOM 0 HB2 SER A 637 -2.986 -1.207 4.984 1.00 0.00 H new ATOM 0 HB3 SER A 637 -1.481 -1.762 5.691 1.00 0.00 H new ATOM 0 HG SER A 637 -4.025 -2.894 6.372 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.033 -1.970 8.264 1.00 0.00 N ATOM 1106 CA ASN A 638 0.158 -2.088 9.097 1.00 0.00 C ATOM 1107 C ASN A 638 1.360 -1.450 8.410 1.00 0.00 C ATOM 1108 O ASN A 638 1.363 -1.262 7.193 1.00 0.00 O ATOM 1109 CB ASN A 638 0.447 -3.558 9.404 1.00 0.00 C ATOM 1110 CG ASN A 638 -0.819 -4.369 9.601 1.00 0.00 C ATOM 1111 OD1 ASN A 638 -1.760 -3.924 10.260 1.00 0.00 O ATOM 1112 ND2 ASN A 638 -0.851 -5.568 9.031 1.00 0.00 N ATOM 0 H ASN A 638 -1.406 -2.860 7.933 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.025 -1.561 10.034 1.00 0.00 H new ATOM 0 HB2 ASN A 638 1.028 -3.989 8.588 1.00 0.00 H new ATOM 0 HB3 ASN A 638 1.061 -3.625 10.302 1.00 0.00 H new ATOM 0 HD21 ASN A 638 -1.677 -6.158 9.131 1.00 0.00 H new ATOM 0 HD22 ASN A 638 -0.050 -5.899 8.493 1.00 0.00 H new ATOM 1119 N ALA A 639 2.379 -1.116 9.195 1.00 0.00 N ATOM 1120 CA ALA A 639 3.584 -0.498 8.657 1.00 0.00 C ATOM 1121 C ALA A 639 4.707 -1.518 8.506 1.00 0.00 C ATOM 1122 O ALA A 639 5.092 -2.179 9.471 1.00 0.00 O ATOM 1123 CB ALA A 639 4.030 0.652 9.547 1.00 0.00 C ATOM 0 H ALA A 639 2.394 -1.263 10.204 1.00 0.00 H new ATOM 0 HA ALA A 639 3.349 -0.108 7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.931 1.104 9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 639 3.239 1.400 9.598 1.00 0.00 H new ATOM 0 HB3 ALA A 639 4.240 0.277 10.549 1.00 0.00 H new ATOM 1129 N VAL A 640 5.229 -1.638 7.290 1.00 0.00 N ATOM 1130 CA VAL A 640 6.310 -2.577 7.015 1.00 0.00 C ATOM 1131 C VAL A 640 7.659 -1.862 6.984 1.00 0.00 C ATOM 1132 O VAL A 640 7.858 -0.917 6.220 1.00 0.00 O ATOM 1133 CB VAL A 640 6.091 -3.316 5.677 1.00 0.00 C ATOM 1134 CG1 VAL A 640 6.008 -2.333 4.520 1.00 0.00 C ATOM 1135 CG2 VAL A 640 7.195 -4.336 5.443 1.00 0.00 C ATOM 0 H VAL A 640 4.922 -1.098 6.481 1.00 0.00 H new ATOM 0 HA VAL A 640 6.310 -3.310 7.822 1.00 0.00 H new ATOM 0 HB VAL A 640 5.141 -3.847 5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 640 5.854 -2.879 3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 640 5.175 -1.649 4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 640 6.936 -1.765 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 640 7.024 -4.847 4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 640 8.159 -3.828 5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 640 7.195 -5.065 6.253 1.00 0.00 H new ATOM 1145 N SER A 641 8.583 -2.318 7.821 1.00 0.00 N ATOM 1146 CA SER A 641 9.911 -1.722 7.887 1.00 0.00 C ATOM 1147 C SER A 641 10.884 -2.474 6.985 1.00 0.00 C ATOM 1148 O SER A 641 11.342 -3.566 7.324 1.00 0.00 O ATOM 1149 CB SER A 641 10.426 -1.722 9.327 1.00 0.00 C ATOM 1150 OG SER A 641 11.178 -0.553 9.598 1.00 0.00 O ATOM 0 H SER A 641 8.437 -3.097 8.463 1.00 0.00 H new ATOM 0 HA SER A 641 9.839 -0.692 7.539 1.00 0.00 H new ATOM 0 HB2 SER A 641 9.585 -1.786 10.018 1.00 0.00 H new ATOM 0 HB3 SER A 641 11.044 -2.604 9.496 1.00 0.00 H new ATOM 0 HG SER A 641 11.495 -0.575 10.525 1.00 0.00 H new ATOM 1156 N VAL A 642 11.189 -1.885 5.835 1.00 0.00 N ATOM 1157 CA VAL A 642 12.104 -2.498 4.879 1.00 0.00 C ATOM 1158 C VAL A 642 13.443 -1.770 4.852 1.00 0.00 C ATOM 1159 O VAL A 642 13.504 -0.552 5.030 1.00 0.00 O ATOM 1160 CB VAL A 642 11.513 -2.512 3.454 1.00 0.00 C ATOM 1161 CG1 VAL A 642 10.914 -3.874 3.136 1.00 0.00 C ATOM 1162 CG2 VAL A 642 10.472 -1.413 3.289 1.00 0.00 C ATOM 0 H VAL A 642 10.816 -0.982 5.541 1.00 0.00 H new ATOM 0 HA VAL A 642 12.257 -3.525 5.209 1.00 0.00 H new ATOM 0 HB VAL A 642 12.321 -2.321 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 642 10.502 -3.864 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.689 -4.637 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.121 -4.098 3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 642 10.069 -1.442 2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 642 9.665 -1.566 4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 642 10.936 -0.443 3.467 1.00 0.00 H new ATOM 1172 N LYS A 643 14.514 -2.524 4.625 1.00 0.00 N ATOM 1173 CA LYS A 643 15.855 -1.955 4.571 1.00 0.00 C ATOM 1174 C LYS A 643 16.341 -1.855 3.130 1.00 0.00 C ATOM 1175 O LYS A 643 16.651 -2.864 2.496 1.00 0.00 O ATOM 1176 CB LYS A 643 16.825 -2.806 5.391 1.00 0.00 C ATOM 1177 CG LYS A 643 17.094 -2.254 6.781 1.00 0.00 C ATOM 1178 CD LYS A 643 18.444 -2.709 7.310 1.00 0.00 C ATOM 1179 CE LYS A 643 19.504 -1.634 7.129 1.00 0.00 C ATOM 1180 NZ LYS A 643 20.866 -2.137 7.455 1.00 0.00 N ATOM 0 H LYS A 643 14.478 -3.532 4.475 1.00 0.00 H new ATOM 0 HA LYS A 643 15.817 -0.951 4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 643 16.423 -3.815 5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 643 17.769 -2.887 4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 643 17.061 -1.165 6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 643 16.307 -2.580 7.461 1.00 0.00 H new ATOM 0 HD2 LYS A 643 18.356 -2.960 8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 643 18.752 -3.617 6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 643 19.486 -1.276 6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 643 19.269 -0.782 7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 21.560 -1.374 7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 20.891 -2.455 8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 21.101 -2.934 6.829 1.00 0.00 H new ATOM 1194 N THR A 644 16.404 -0.631 2.617 1.00 0.00 N ATOM 1195 CA THR A 644 16.851 -0.397 1.249 1.00 0.00 C ATOM 1196 C THR A 644 18.372 -0.327 1.172 1.00 0.00 C ATOM 1197 O THR A 644 18.990 0.172 2.136 1.00 0.00 O ATOM 1198 CB THR A 644 16.260 0.906 0.682 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.479 1.983 1.599 1.00 0.00 O ATOM 1200 CG2 THR A 644 14.770 0.755 0.415 1.00 0.00 C ATOM 1201 OXT THR A 644 18.932 -0.771 0.148 1.00 0.00 O ATOM 0 H THR A 644 16.151 0.215 3.128 1.00 0.00 H new ATOM 0 HA THR A 644 16.498 -1.238 0.652 1.00 0.00 H new ATOM 0 HB THR A 644 16.761 1.125 -0.261 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.782 2.775 1.107 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.376 1.689 0.015 1.00 0.00 H new ATOM 0 HG22 THR A 644 14.609 -0.046 -0.307 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.256 0.513 1.345 1.00 0.00 H new