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 583 SER OG : rot -66:sc= -0.449 USER MOD Set 1.2: A 592 TYR OH : rot 180:sc= 0.598 USER MOD Set 2.1: A 572 THR OG1 : rot -55:sc= 1.13 USER MOD Set 2.2: A 574 SER OG : rot 180:sc= -0.0255 USER MOD Set 2.3: A 575 SER OG : rot 180:sc= 0.00224 USER MOD Single : A 561 THR OG1 : rot 130:sc= -0.695 USER MOD Single : A 564 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 565 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.4!) USER MOD Single : A 568 SER OG : rot 150:sc= 0 USER MOD Single : A 569 THR OG1 : rot 180:sc= 0.248 USER MOD Single : A 571 GLN : amide:sc= -1.14 X(o=-1.1,f=-0.91) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 577 THR OG1 : rot 180:sc= 0 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 77:sc= 0.209 USER MOD Single : A 584 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 586 ASN : amide:sc= -0.0492 K(o=-0.049,f=-1.1) USER MOD Single : A 590 THR OG1 : rot 180:sc= 0 USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN :FLIP amide:sc= -0.087 F(o=-1.5!,f=-0.087) USER MOD Single : A 598 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 THR OG1 : rot 146:sc= -0.243 USER MOD Single : A 603 THR OG1 : rot -81:sc= 0.0986 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= -0.014 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= 0.0646 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 TYR OH : rot 130:sc= 0.187 USER MOD Single : A 621 THR OG1 : rot 45:sc= 0.0109 USER MOD Single : A 623 THR OG1 : rot 180:sc=-0.00567 USER MOD Single : A 625 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 627 LYS NZ :NH3+ -144:sc= -0.33 (180deg=-1.73!) USER MOD Single : A 632 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 634 SER OG : rot 109:sc= 1.26 USER MOD Single : A 637 SER OG : rot -45:sc= 0.0389 USER MOD Single : A 638 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD Single : A 643 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 644 THR OG1 : rot 131:sc= 0.867 USER MOD ----------------------------------------------------------------- ATOM 38 N ALA A 559 -16.980 4.216 3.904 1.00 0.00 N ATOM 39 CA ALA A 559 -15.664 3.782 3.454 1.00 0.00 C ATOM 40 C ALA A 559 -15.534 2.262 3.511 1.00 0.00 C ATOM 41 O ALA A 559 -16.191 1.606 4.320 1.00 0.00 O ATOM 42 CB ALA A 559 -14.578 4.437 4.294 1.00 0.00 C ATOM 0 HA ALA A 559 -15.544 4.091 2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -13.600 4.104 3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -14.648 5.521 4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -14.707 4.156 5.339 1.00 0.00 H new ATOM 48 N PRO A 560 -14.676 1.677 2.653 1.00 0.00 N ATOM 49 CA PRO A 560 -14.463 0.228 2.616 1.00 0.00 C ATOM 50 C PRO A 560 -13.651 -0.260 3.812 1.00 0.00 C ATOM 51 O PRO A 560 -13.672 0.355 4.879 1.00 0.00 O ATOM 52 CB PRO A 560 -13.685 0.022 1.318 1.00 0.00 C ATOM 53 CG PRO A 560 -12.948 1.300 1.117 1.00 0.00 C ATOM 54 CD PRO A 560 -13.844 2.382 1.655 1.00 0.00 C ATOM 0 HA PRO A 560 -15.399 -0.330 2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -13.001 -0.823 1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -14.354 -0.186 0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -11.993 1.287 1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.729 1.463 0.062 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.270 3.189 2.110 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.452 2.827 0.868 1.00 0.00 H new ATOM 62 N THR A 561 -12.935 -1.366 3.630 1.00 0.00 N ATOM 63 CA THR A 561 -12.118 -1.928 4.697 1.00 0.00 C ATOM 64 C THR A 561 -10.634 -1.707 4.427 1.00 0.00 C ATOM 65 O THR A 561 -10.164 -1.879 3.303 1.00 0.00 O ATOM 66 CB THR A 561 -12.379 -3.435 4.881 1.00 0.00 C ATOM 67 OG1 THR A 561 -11.582 -4.189 3.961 1.00 0.00 O ATOM 68 CG2 THR A 561 -13.851 -3.761 4.669 1.00 0.00 C ATOM 0 H THR A 561 -12.905 -1.889 2.755 1.00 0.00 H new ATOM 0 HA THR A 561 -12.400 -1.409 5.613 1.00 0.00 H new ATOM 0 HB THR A 561 -12.106 -3.704 5.901 1.00 0.00 H new ATOM 0 HG1 THR A 561 -11.106 -4.896 4.444 1.00 0.00 H new ATOM 0 HG21 THR A 561 -14.010 -4.831 4.804 1.00 0.00 H new ATOM 0 HG22 THR A 561 -14.453 -3.210 5.392 1.00 0.00 H new ATOM 0 HG23 THR A 561 -14.145 -3.475 3.659 1.00 0.00 H new ATOM 76 N ALA A 562 -9.904 -1.321 5.468 1.00 0.00 N ATOM 77 CA ALA A 562 -8.472 -1.068 5.355 1.00 0.00 C ATOM 78 C ALA A 562 -7.701 -2.357 5.069 1.00 0.00 C ATOM 79 O ALA A 562 -7.874 -3.356 5.768 1.00 0.00 O ATOM 80 CB ALA A 562 -7.956 -0.426 6.633 1.00 0.00 C ATOM 0 H ALA A 562 -10.283 -1.176 6.404 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.314 -0.388 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -6.886 -0.240 6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -8.475 0.518 6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.137 -1.095 7.475 1.00 0.00 H new ATOM 86 N PRO A 563 -6.826 -2.345 4.044 1.00 0.00 N ATOM 87 CA PRO A 563 -6.015 -3.513 3.679 1.00 0.00 C ATOM 88 C PRO A 563 -5.351 -4.146 4.897 1.00 0.00 C ATOM 89 O PRO A 563 -5.088 -3.471 5.892 1.00 0.00 O ATOM 90 CB PRO A 563 -4.960 -2.924 2.742 1.00 0.00 C ATOM 91 CG PRO A 563 -5.626 -1.746 2.121 1.00 0.00 C ATOM 92 CD PRO A 563 -6.554 -1.188 3.169 1.00 0.00 C ATOM 0 HA PRO A 563 -6.610 -4.308 3.228 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.064 -2.630 3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.651 -3.648 1.988 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.892 -1.001 1.814 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -6.178 -2.037 1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.091 -0.369 3.720 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.470 -0.796 2.726 1.00 0.00 H new ATOM 100 N THR A 564 -5.088 -5.445 4.817 1.00 0.00 N ATOM 101 CA THR A 564 -4.462 -6.161 5.921 1.00 0.00 C ATOM 102 C THR A 564 -3.363 -7.094 5.425 1.00 0.00 C ATOM 103 O THR A 564 -3.313 -7.437 4.245 1.00 0.00 O ATOM 104 CB THR A 564 -5.500 -6.980 6.711 1.00 0.00 C ATOM 105 OG1 THR A 564 -4.842 -7.936 7.549 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.450 -7.696 5.765 1.00 0.00 C ATOM 0 H THR A 564 -5.298 -6.022 4.002 1.00 0.00 H new ATOM 0 HA THR A 564 -4.022 -5.410 6.577 1.00 0.00 H new ATOM 0 HB THR A 564 -6.075 -6.294 7.333 1.00 0.00 H new ATOM 0 HG1 THR A 564 -5.511 -8.450 8.048 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.175 -8.269 6.343 1.00 0.00 H new ATOM 0 HG22 THR A 564 -6.973 -6.963 5.151 1.00 0.00 H new ATOM 0 HG23 THR A 564 -5.884 -8.370 5.122 1.00 0.00 H new ATOM 114 N ASN A 565 -2.489 -7.502 6.341 1.00 0.00 N ATOM 115 CA ASN A 565 -1.388 -8.403 6.015 1.00 0.00 C ATOM 116 C ASN A 565 -0.442 -7.797 4.980 1.00 0.00 C ATOM 117 O ASN A 565 0.128 -8.513 4.158 1.00 0.00 O ATOM 118 CB ASN A 565 -1.926 -9.742 5.506 1.00 0.00 C ATOM 119 CG ASN A 565 -1.194 -10.925 6.110 1.00 0.00 C ATOM 120 OD1 ASN A 565 -0.096 -10.782 6.649 1.00 0.00 O ATOM 121 ND2 ASN A 565 -1.800 -12.103 6.025 1.00 0.00 N ATOM 0 H ASN A 565 -2.523 -7.221 7.321 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.821 -8.565 6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -2.988 -9.817 5.740 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -1.836 -9.778 4.420 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -1.356 -12.934 6.415 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -2.710 -12.177 5.570 1.00 0.00 H new ATOM 128 N LEU A 566 -0.263 -6.479 5.032 1.00 0.00 N ATOM 129 CA LEU A 566 0.635 -5.803 4.101 1.00 0.00 C ATOM 130 C LEU A 566 2.081 -6.182 4.406 1.00 0.00 C ATOM 131 O LEU A 566 2.590 -5.901 5.491 1.00 0.00 O ATOM 132 CB LEU A 566 0.453 -4.277 4.176 1.00 0.00 C ATOM 133 CG LEU A 566 1.432 -3.438 3.333 1.00 0.00 C ATOM 134 CD1 LEU A 566 2.700 -3.172 4.103 1.00 0.00 C ATOM 135 CD2 LEU A 566 1.735 -4.115 2.002 1.00 0.00 C ATOM 0 H LEU A 566 -0.723 -5.863 5.702 1.00 0.00 H new ATOM 0 HA LEU A 566 0.390 -6.123 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -0.563 -4.036 3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 566 0.547 -3.971 5.218 1.00 0.00 H new ATOM 0 HG LEU A 566 0.956 -2.482 3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 566 3.379 -2.578 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 566 2.463 -2.627 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 566 3.176 -4.119 4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 566 2.429 -3.499 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 566 2.183 -5.092 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 566 0.810 -4.240 1.438 1.00 0.00 H new ATOM 147 N ALA A 567 2.736 -6.825 3.446 1.00 0.00 N ATOM 148 CA ALA A 567 4.121 -7.244 3.618 1.00 0.00 C ATOM 149 C ALA A 567 4.896 -7.140 2.309 1.00 0.00 C ATOM 150 O ALA A 567 4.344 -7.362 1.230 1.00 0.00 O ATOM 151 CB ALA A 567 4.180 -8.666 4.156 1.00 0.00 C ATOM 0 H ALA A 567 2.330 -7.067 2.542 1.00 0.00 H new ATOM 0 HA ALA A 567 4.588 -6.574 4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 567 5.221 -8.965 4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.673 -8.712 5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.689 -9.341 3.455 1.00 0.00 H new ATOM 157 N SER A 568 6.177 -6.804 2.411 1.00 0.00 N ATOM 158 CA SER A 568 7.030 -6.672 1.237 1.00 0.00 C ATOM 159 C SER A 568 7.600 -8.026 0.826 1.00 0.00 C ATOM 160 O SER A 568 7.793 -8.908 1.663 1.00 0.00 O ATOM 161 CB SER A 568 8.169 -5.688 1.516 1.00 0.00 C ATOM 162 OG SER A 568 9.316 -6.360 2.006 1.00 0.00 O ATOM 0 H SER A 568 6.648 -6.618 3.297 1.00 0.00 H new ATOM 0 HA SER A 568 6.422 -6.289 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 568 8.421 -5.151 0.602 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.841 -4.944 2.243 1.00 0.00 H new ATOM 0 HG SER A 568 10.122 -5.872 1.735 1.00 0.00 H new ATOM 168 N THR A 569 7.863 -8.187 -0.468 1.00 0.00 N ATOM 169 CA THR A 569 8.407 -9.438 -0.984 1.00 0.00 C ATOM 170 C THR A 569 9.707 -9.203 -1.749 1.00 0.00 C ATOM 171 O THR A 569 10.795 -9.303 -1.184 1.00 0.00 O ATOM 172 CB THR A 569 7.398 -10.151 -1.904 1.00 0.00 C ATOM 173 OG1 THR A 569 6.761 -9.201 -2.766 1.00 0.00 O ATOM 174 CG2 THR A 569 6.347 -10.885 -1.085 1.00 0.00 C ATOM 0 H THR A 569 7.709 -7.469 -1.176 1.00 0.00 H new ATOM 0 HA THR A 569 8.611 -10.073 -0.122 1.00 0.00 H new ATOM 0 HB THR A 569 7.941 -10.878 -2.507 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.123 -9.664 -3.348 1.00 0.00 H new ATOM 0 HG21 THR A 569 5.645 -11.381 -1.755 1.00 0.00 H new ATOM 0 HG22 THR A 569 6.832 -11.628 -0.453 1.00 0.00 H new ATOM 0 HG23 THR A 569 5.810 -10.172 -0.460 1.00 0.00 H new ATOM 182 N ALA A 570 9.587 -8.893 -3.038 1.00 0.00 N ATOM 183 CA ALA A 570 10.755 -8.647 -3.875 1.00 0.00 C ATOM 184 C ALA A 570 11.145 -7.173 -3.850 1.00 0.00 C ATOM 185 O ALA A 570 10.551 -6.352 -4.548 1.00 0.00 O ATOM 186 CB ALA A 570 10.484 -9.105 -5.301 1.00 0.00 C ATOM 0 H ALA A 570 8.694 -8.807 -3.523 1.00 0.00 H new ATOM 0 HA ALA A 570 11.591 -9.221 -3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.363 -8.916 -5.917 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.261 -10.172 -5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.634 -8.555 -5.704 1.00 0.00 H new ATOM 192 N GLN A 571 12.147 -6.847 -3.040 1.00 0.00 N ATOM 193 CA GLN A 571 12.618 -5.472 -2.920 1.00 0.00 C ATOM 194 C GLN A 571 14.084 -5.357 -3.330 1.00 0.00 C ATOM 195 O GLN A 571 14.898 -6.224 -3.012 1.00 0.00 O ATOM 196 CB GLN A 571 12.438 -4.976 -1.483 1.00 0.00 C ATOM 197 CG GLN A 571 13.001 -3.584 -1.239 1.00 0.00 C ATOM 198 CD GLN A 571 13.940 -3.536 -0.050 1.00 0.00 C ATOM 199 OE1 GLN A 571 13.513 -3.661 1.098 1.00 0.00 O ATOM 200 NE2 GLN A 571 15.228 -3.355 -0.319 1.00 0.00 N ATOM 0 H GLN A 571 12.649 -7.517 -2.457 1.00 0.00 H new ATOM 0 HA GLN A 571 12.024 -4.851 -3.591 1.00 0.00 H new ATOM 0 HB2 GLN A 571 11.376 -4.976 -1.239 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.921 -5.678 -0.803 1.00 0.00 H new ATOM 0 HG2 GLN A 571 13.532 -3.249 -2.130 1.00 0.00 H new ATOM 0 HG3 GLN A 571 12.179 -2.887 -1.077 1.00 0.00 H new ATOM 0 HE21 GLN A 571 15.538 -3.256 -1.286 1.00 0.00 H new ATOM 0 HE22 GLN A 571 15.907 -3.315 0.441 1.00 0.00 H new ATOM 209 N THR A 572 14.411 -4.278 -4.034 1.00 0.00 N ATOM 210 CA THR A 572 15.776 -4.041 -4.486 1.00 0.00 C ATOM 211 C THR A 572 16.245 -2.645 -4.091 1.00 0.00 C ATOM 212 O THR A 572 15.600 -1.968 -3.290 1.00 0.00 O ATOM 213 CB THR A 572 15.903 -4.204 -6.012 1.00 0.00 C ATOM 214 OG1 THR A 572 14.926 -3.394 -6.677 1.00 0.00 O ATOM 215 CG2 THR A 572 15.724 -5.660 -6.418 1.00 0.00 C ATOM 0 H THR A 572 13.747 -3.553 -4.304 1.00 0.00 H new ATOM 0 HA THR A 572 16.406 -4.786 -4.000 1.00 0.00 H new ATOM 0 HB THR A 572 16.902 -3.881 -6.306 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.033 -3.616 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 572 15.818 -5.750 -7.500 1.00 0.00 H new ATOM 0 HG22 THR A 572 16.489 -6.269 -5.935 1.00 0.00 H new ATOM 0 HG23 THR A 572 14.737 -6.005 -6.109 1.00 0.00 H new ATOM 223 N THR A 573 17.370 -2.219 -4.657 1.00 0.00 N ATOM 224 CA THR A 573 17.924 -0.904 -4.361 1.00 0.00 C ATOM 225 C THR A 573 17.334 0.163 -5.280 1.00 0.00 C ATOM 226 O THR A 573 18.010 1.129 -5.637 1.00 0.00 O ATOM 227 CB THR A 573 19.457 -0.899 -4.500 1.00 0.00 C ATOM 228 OG1 THR A 573 19.845 -1.632 -5.670 1.00 0.00 O ATOM 229 CG2 THR A 573 20.114 -1.512 -3.273 1.00 0.00 C ATOM 0 H THR A 573 17.915 -2.766 -5.323 1.00 0.00 H new ATOM 0 HA THR A 573 17.660 -0.673 -3.329 1.00 0.00 H new ATOM 0 HB THR A 573 19.788 0.136 -4.592 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.821 -1.623 -5.753 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.197 -1.497 -3.395 1.00 0.00 H new ATOM 0 HG22 THR A 573 19.840 -0.937 -2.388 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.776 -2.542 -3.155 1.00 0.00 H new ATOM 237 N SER A 574 16.071 -0.017 -5.659 1.00 0.00 N ATOM 238 CA SER A 574 15.394 0.933 -6.535 1.00 0.00 C ATOM 239 C SER A 574 13.897 0.647 -6.612 1.00 0.00 C ATOM 240 O SER A 574 13.074 1.526 -6.352 1.00 0.00 O ATOM 241 CB SER A 574 16.001 0.886 -7.938 1.00 0.00 C ATOM 242 OG SER A 574 16.065 -0.445 -8.422 1.00 0.00 O ATOM 0 H SER A 574 15.497 -0.811 -5.373 1.00 0.00 H new ATOM 0 HA SER A 574 15.532 1.929 -6.114 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.404 1.495 -8.617 1.00 0.00 H new ATOM 0 HB3 SER A 574 17.002 1.318 -7.919 1.00 0.00 H new ATOM 0 HG SER A 574 16.455 -0.448 -9.321 1.00 0.00 H new ATOM 248 N SER A 575 13.550 -0.583 -6.979 1.00 0.00 N ATOM 249 CA SER A 575 12.150 -0.976 -7.096 1.00 0.00 C ATOM 250 C SER A 575 11.761 -1.967 -6.004 1.00 0.00 C ATOM 251 O SER A 575 12.496 -2.909 -5.715 1.00 0.00 O ATOM 252 CB SER A 575 11.886 -1.587 -8.473 1.00 0.00 C ATOM 253 OG SER A 575 13.099 -1.925 -9.123 1.00 0.00 O ATOM 0 H SER A 575 14.217 -1.323 -7.200 1.00 0.00 H new ATOM 0 HA SER A 575 11.539 -0.081 -6.977 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.267 -2.478 -8.366 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.326 -0.881 -9.086 1.00 0.00 H new ATOM 0 HG SER A 575 12.902 -2.315 -10.000 1.00 0.00 H new ATOM 259 N ILE A 576 10.595 -1.746 -5.406 1.00 0.00 N ATOM 260 CA ILE A 576 10.101 -2.619 -4.348 1.00 0.00 C ATOM 261 C ILE A 576 8.683 -3.093 -4.655 1.00 0.00 C ATOM 262 O ILE A 576 7.851 -2.323 -5.134 1.00 0.00 O ATOM 263 CB ILE A 576 10.120 -1.905 -2.980 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.582 -2.831 -1.882 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.310 -0.618 -3.041 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.697 -2.247 -0.490 1.00 0.00 C ATOM 0 H ILE A 576 9.975 -0.970 -5.636 1.00 0.00 H new ATOM 0 HA ILE A 576 10.765 -3.482 -4.302 1.00 0.00 H new ATOM 0 HB ILE A 576 11.152 -1.651 -2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.535 -3.056 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.124 -3.776 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 576 9.334 -0.127 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.737 0.045 -3.793 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.278 -0.850 -3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.298 -2.955 0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.745 -2.048 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.132 -1.317 -0.438 1.00 0.00 H new ATOM 278 N THR A 577 8.416 -4.366 -4.377 1.00 0.00 N ATOM 279 CA THR A 577 7.101 -4.941 -4.626 1.00 0.00 C ATOM 280 C THR A 577 6.376 -5.243 -3.318 1.00 0.00 C ATOM 281 O THR A 577 6.876 -5.991 -2.477 1.00 0.00 O ATOM 282 CB THR A 577 7.201 -6.236 -5.455 1.00 0.00 C ATOM 283 OG1 THR A 577 8.023 -6.016 -6.609 1.00 0.00 O ATOM 284 CG2 THR A 577 5.821 -6.705 -5.892 1.00 0.00 C ATOM 0 H THR A 577 9.093 -5.017 -3.980 1.00 0.00 H new ATOM 0 HA THR A 577 6.534 -4.200 -5.190 1.00 0.00 H new ATOM 0 HB THR A 577 7.650 -7.009 -4.831 1.00 0.00 H new ATOM 0 HG1 THR A 577 8.083 -6.844 -7.130 1.00 0.00 H new ATOM 0 HG21 THR A 577 5.916 -7.621 -6.476 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.207 -6.897 -5.012 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.351 -5.933 -6.501 1.00 0.00 H new ATOM 292 N LEU A 578 5.196 -4.653 -3.154 1.00 0.00 N ATOM 293 CA LEU A 578 4.399 -4.854 -1.948 1.00 0.00 C ATOM 294 C LEU A 578 3.165 -5.700 -2.244 1.00 0.00 C ATOM 295 O LEU A 578 2.536 -5.552 -3.291 1.00 0.00 O ATOM 296 CB LEU A 578 3.974 -3.507 -1.361 1.00 0.00 C ATOM 297 CG LEU A 578 4.979 -2.869 -0.401 1.00 0.00 C ATOM 298 CD1 LEU A 578 4.665 -1.396 -0.201 1.00 0.00 C ATOM 299 CD2 LEU A 578 4.978 -3.601 0.932 1.00 0.00 C ATOM 0 H LEU A 578 4.770 -4.031 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 578 5.016 -5.383 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 578 3.789 -2.814 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 578 3.028 -3.640 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 578 5.974 -2.951 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.391 -0.959 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 578 4.716 -0.880 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 578 3.663 -1.291 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 578 5.699 -3.135 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 578 3.983 -3.550 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 578 5.252 -4.644 0.774 1.00 0.00 H new ATOM 311 N SER A 579 2.821 -6.581 -1.309 1.00 0.00 N ATOM 312 CA SER A 579 1.659 -7.448 -1.462 1.00 0.00 C ATOM 313 C SER A 579 0.808 -7.431 -0.195 1.00 0.00 C ATOM 314 O SER A 579 1.330 -7.542 0.914 1.00 0.00 O ATOM 315 CB SER A 579 2.100 -8.879 -1.776 1.00 0.00 C ATOM 316 OG SER A 579 1.106 -9.816 -1.401 1.00 0.00 O ATOM 0 H SER A 579 3.332 -6.713 -0.436 1.00 0.00 H new ATOM 0 HA SER A 579 1.059 -7.074 -2.291 1.00 0.00 H new ATOM 0 HB2 SER A 579 2.308 -8.973 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 579 3.029 -9.100 -1.250 1.00 0.00 H new ATOM 0 HG SER A 579 1.413 -10.722 -1.614 1.00 0.00 H new ATOM 322 N TRP A 580 -0.502 -7.285 -0.365 1.00 0.00 N ATOM 323 CA TRP A 580 -1.418 -7.245 0.770 1.00 0.00 C ATOM 324 C TRP A 580 -2.746 -7.915 0.431 1.00 0.00 C ATOM 325 O TRP A 580 -3.016 -8.231 -0.727 1.00 0.00 O ATOM 326 CB TRP A 580 -1.665 -5.799 1.199 1.00 0.00 C ATOM 327 CG TRP A 580 -2.267 -4.958 0.115 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.584 -4.638 -0.042 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.571 -4.338 -0.969 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.749 -3.855 -1.159 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.526 -3.657 -1.745 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.229 -4.292 -1.358 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.182 -2.940 -2.889 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.112 -3.579 -2.491 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.861 -2.911 -3.246 1.00 0.00 C ATOM 0 H TRP A 580 -0.953 -7.193 -1.275 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.956 -7.793 1.592 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.326 -5.792 2.066 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.721 -5.354 1.514 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.380 -4.954 0.616 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.636 -3.482 -1.497 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.528 -4.805 -0.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -2.931 -2.426 -3.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.146 -3.536 -2.800 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.563 -2.362 -4.127 1.00 0.00 H new ATOM 346 N THR A 581 -3.569 -8.123 1.453 1.00 0.00 N ATOM 347 CA THR A 581 -4.871 -8.751 1.274 1.00 0.00 C ATOM 348 C THR A 581 -5.924 -7.729 0.866 1.00 0.00 C ATOM 349 O THR A 581 -6.087 -6.695 1.516 1.00 0.00 O ATOM 350 CB THR A 581 -5.333 -9.463 2.559 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.210 -10.054 3.225 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.362 -10.538 2.241 1.00 0.00 C ATOM 0 H THR A 581 -3.356 -7.865 2.416 1.00 0.00 H new ATOM 0 HA THR A 581 -4.759 -9.489 0.479 1.00 0.00 H new ATOM 0 HB THR A 581 -5.793 -8.722 3.212 1.00 0.00 H new ATOM 0 HG1 THR A 581 -3.705 -9.358 3.694 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.674 -11.027 3.164 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.228 -10.082 1.761 1.00 0.00 H new ATOM 0 HG23 THR A 581 -5.922 -11.276 1.570 1.00 0.00 H new ATOM 360 N ALA A 582 -6.639 -8.028 -0.215 1.00 0.00 N ATOM 361 CA ALA A 582 -7.681 -7.140 -0.716 1.00 0.00 C ATOM 362 C ALA A 582 -8.754 -6.906 0.339 1.00 0.00 C ATOM 363 O ALA A 582 -9.011 -7.768 1.180 1.00 0.00 O ATOM 364 CB ALA A 582 -8.301 -7.715 -1.980 1.00 0.00 C ATOM 0 H ALA A 582 -6.515 -8.880 -0.761 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.223 -6.180 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -9.077 -7.042 -2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -7.532 -7.827 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.739 -8.689 -1.760 1.00 0.00 H new ATOM 370 N SER A 583 -9.378 -5.733 0.290 1.00 0.00 N ATOM 371 CA SER A 583 -10.426 -5.382 1.242 1.00 0.00 C ATOM 372 C SER A 583 -11.604 -6.345 1.134 1.00 0.00 C ATOM 373 O SER A 583 -11.880 -6.888 0.065 1.00 0.00 O ATOM 374 CB SER A 583 -10.901 -3.947 1.002 1.00 0.00 C ATOM 375 OG SER A 583 -11.493 -3.813 -0.278 1.00 0.00 O ATOM 0 H SER A 583 -9.176 -5.009 -0.399 1.00 0.00 H new ATOM 0 HA SER A 583 -10.010 -5.457 2.247 1.00 0.00 H new ATOM 0 HB2 SER A 583 -11.621 -3.666 1.770 1.00 0.00 H new ATOM 0 HB3 SER A 583 -10.058 -3.262 1.090 1.00 0.00 H new ATOM 0 HG SER A 583 -10.811 -3.946 -0.969 1.00 0.00 H new ATOM 381 N THR A 584 -12.296 -6.550 2.251 1.00 0.00 N ATOM 382 CA THR A 584 -13.446 -7.446 2.284 1.00 0.00 C ATOM 383 C THR A 584 -14.718 -6.719 1.860 1.00 0.00 C ATOM 384 O THR A 584 -15.823 -7.235 2.022 1.00 0.00 O ATOM 385 CB THR A 584 -13.651 -8.045 3.688 1.00 0.00 C ATOM 386 OG1 THR A 584 -14.095 -7.031 4.597 1.00 0.00 O ATOM 387 CG2 THR A 584 -12.361 -8.667 4.205 1.00 0.00 C ATOM 0 H THR A 584 -12.080 -6.108 3.144 1.00 0.00 H new ATOM 0 HA THR A 584 -13.241 -8.254 1.581 1.00 0.00 H new ATOM 0 HB THR A 584 -14.410 -8.824 3.617 1.00 0.00 H new ATOM 0 HG1 THR A 584 -14.224 -7.422 5.486 1.00 0.00 H new ATOM 0 HG21 THR A 584 -12.530 -9.083 5.198 1.00 0.00 H new ATOM 0 HG22 THR A 584 -12.043 -9.460 3.528 1.00 0.00 H new ATOM 0 HG23 THR A 584 -11.585 -7.903 4.259 1.00 0.00 H new ATOM 395 N ASP A 585 -14.551 -5.518 1.315 1.00 0.00 N ATOM 396 CA ASP A 585 -15.682 -4.718 0.865 1.00 0.00 C ATOM 397 C ASP A 585 -15.591 -4.433 -0.631 1.00 0.00 C ATOM 398 O ASP A 585 -15.807 -3.303 -1.071 1.00 0.00 O ATOM 399 CB ASP A 585 -15.746 -3.406 1.643 1.00 0.00 C ATOM 400 CG ASP A 585 -17.165 -3.026 2.022 1.00 0.00 C ATOM 401 OD1 ASP A 585 -17.632 -3.468 3.093 1.00 0.00 O ATOM 402 OD2 ASP A 585 -17.808 -2.289 1.247 1.00 0.00 O ATOM 0 H ASP A 585 -13.642 -5.078 1.175 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.592 -5.288 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -15.143 -3.493 2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -15.308 -2.609 1.042 1.00 0.00 H new ATOM 407 N ASN A 586 -15.271 -5.464 -1.407 1.00 0.00 N ATOM 408 CA ASN A 586 -15.152 -5.328 -2.854 1.00 0.00 C ATOM 409 C ASN A 586 -16.500 -4.986 -3.483 1.00 0.00 C ATOM 410 O ASN A 586 -17.434 -4.580 -2.789 1.00 0.00 O ATOM 411 CB ASN A 586 -14.603 -6.614 -3.467 1.00 0.00 C ATOM 412 CG ASN A 586 -13.248 -6.994 -2.903 1.00 0.00 C ATOM 413 OD1 ASN A 586 -12.472 -6.134 -2.488 1.00 0.00 O ATOM 414 ND2 ASN A 586 -12.956 -8.290 -2.890 1.00 0.00 N ATOM 0 H ASN A 586 -15.089 -6.405 -1.057 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.458 -4.513 -3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -15.307 -7.427 -3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -14.522 -6.492 -4.547 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -12.058 -8.607 -2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -13.630 -8.968 -3.244 1.00 0.00 H new ATOM 421 N VAL A 587 -16.591 -5.148 -4.804 1.00 0.00 N ATOM 422 CA VAL A 587 -17.821 -4.854 -5.539 1.00 0.00 C ATOM 423 C VAL A 587 -18.133 -3.358 -5.504 1.00 0.00 C ATOM 424 O VAL A 587 -19.082 -2.890 -6.137 1.00 0.00 O ATOM 425 CB VAL A 587 -19.023 -5.649 -4.981 1.00 0.00 C ATOM 426 CG1 VAL A 587 -20.212 -5.565 -5.925 1.00 0.00 C ATOM 427 CG2 VAL A 587 -18.635 -7.099 -4.735 1.00 0.00 C ATOM 0 H VAL A 587 -15.824 -5.482 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 587 -17.657 -5.161 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 587 -19.314 -5.204 -4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -21.046 -6.132 -5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -20.507 -4.523 -6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -19.937 -5.980 -6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -19.494 -7.644 -4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -18.314 -7.554 -5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -17.819 -7.140 -4.014 1.00 0.00 H new ATOM 437 N GLY A 588 -17.317 -2.611 -4.767 1.00 0.00 N ATOM 438 CA GLY A 588 -17.501 -1.176 -4.659 1.00 0.00 C ATOM 439 C GLY A 588 -16.175 -0.443 -4.630 1.00 0.00 C ATOM 440 O GLY A 588 -16.116 0.766 -4.853 1.00 0.00 O ATOM 0 H GLY A 588 -16.525 -2.978 -4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -18.095 -0.821 -5.501 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -18.063 -0.948 -3.753 1.00 0.00 H new ATOM 444 N VAL A 589 -15.108 -1.189 -4.356 1.00 0.00 N ATOM 445 CA VAL A 589 -13.765 -0.626 -4.296 1.00 0.00 C ATOM 446 C VAL A 589 -13.163 -0.510 -5.695 1.00 0.00 C ATOM 447 O VAL A 589 -13.438 -1.335 -6.568 1.00 0.00 O ATOM 448 CB VAL A 589 -12.844 -1.493 -3.410 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.429 -0.935 -3.390 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.405 -1.588 -1.998 1.00 0.00 C ATOM 0 H VAL A 589 -15.150 -2.191 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.844 0.369 -3.858 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.804 -2.496 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.799 -1.563 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -11.029 -0.922 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.444 0.080 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.745 -2.202 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.476 -0.589 -1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.396 -2.041 -2.030 1.00 0.00 H new ATOM 460 N THR A 590 -12.349 0.521 -5.906 1.00 0.00 N ATOM 461 CA THR A 590 -11.720 0.741 -7.205 1.00 0.00 C ATOM 462 C THR A 590 -10.236 0.386 -7.179 1.00 0.00 C ATOM 463 O THR A 590 -9.768 -0.407 -7.997 1.00 0.00 O ATOM 464 CB THR A 590 -11.878 2.203 -7.669 1.00 0.00 C ATOM 465 OG1 THR A 590 -10.995 2.467 -8.766 1.00 0.00 O ATOM 466 CG2 THR A 590 -11.584 3.171 -6.533 1.00 0.00 C ATOM 0 H THR A 590 -12.110 1.215 -5.197 1.00 0.00 H new ATOM 0 HA THR A 590 -12.231 0.084 -7.909 1.00 0.00 H new ATOM 0 HB THR A 590 -12.910 2.347 -7.988 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.102 3.397 -9.056 1.00 0.00 H new ATOM 0 HG21 THR A 590 -11.703 4.195 -6.888 1.00 0.00 H new ATOM 0 HG22 THR A 590 -12.277 2.989 -5.711 1.00 0.00 H new ATOM 0 HG23 THR A 590 -10.562 3.024 -6.185 1.00 0.00 H new ATOM 474 N GLY A 591 -9.498 0.980 -6.244 1.00 0.00 N ATOM 475 CA GLY A 591 -8.075 0.710 -6.150 1.00 0.00 C ATOM 476 C GLY A 591 -7.531 0.868 -4.746 1.00 0.00 C ATOM 477 O GLY A 591 -8.288 1.053 -3.790 1.00 0.00 O ATOM 0 H GLY A 591 -9.858 1.639 -5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.880 -0.305 -6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.539 1.383 -6.819 1.00 0.00 H new ATOM 481 N TYR A 592 -6.210 0.792 -4.626 1.00 0.00 N ATOM 482 CA TYR A 592 -5.541 0.924 -3.338 1.00 0.00 C ATOM 483 C TYR A 592 -4.391 1.920 -3.431 1.00 0.00 C ATOM 484 O TYR A 592 -3.544 1.823 -4.318 1.00 0.00 O ATOM 485 CB TYR A 592 -5.015 -0.438 -2.880 1.00 0.00 C ATOM 486 CG TYR A 592 -6.096 -1.481 -2.719 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.772 -1.629 -1.515 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.442 -2.317 -3.774 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.762 -2.581 -1.366 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.431 -3.271 -3.632 1.00 0.00 C ATOM 491 CZ TYR A 592 -8.088 -3.399 -2.427 1.00 0.00 C ATOM 492 OH TYR A 592 -9.074 -4.349 -2.283 1.00 0.00 O ATOM 0 H TYR A 592 -5.578 0.639 -5.412 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.263 1.293 -2.609 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.281 -0.796 -3.602 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.495 -0.316 -1.930 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.520 -0.990 -0.682 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -5.930 -2.219 -4.720 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -8.278 -2.684 -0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -7.688 -3.913 -4.461 1.00 0.00 H new ATOM 0 HH TYR A 592 -9.181 -4.840 -3.124 1.00 0.00 H new ATOM 502 N ASP A 593 -4.364 2.878 -2.510 1.00 0.00 N ATOM 503 CA ASP A 593 -3.315 3.890 -2.495 1.00 0.00 C ATOM 504 C ASP A 593 -2.330 3.634 -1.360 1.00 0.00 C ATOM 505 O ASP A 593 -2.702 3.663 -0.186 1.00 0.00 O ATOM 506 CB ASP A 593 -3.925 5.285 -2.354 1.00 0.00 C ATOM 507 CG ASP A 593 -3.844 6.085 -3.639 1.00 0.00 C ATOM 508 OD1 ASP A 593 -2.765 6.089 -4.269 1.00 0.00 O ATOM 509 OD2 ASP A 593 -4.859 6.706 -4.016 1.00 0.00 O ATOM 0 H ASP A 593 -5.055 2.974 -1.766 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.775 3.833 -3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -4.968 5.193 -2.052 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.409 5.825 -1.560 1.00 0.00 H new ATOM 514 N VAL A 594 -1.074 3.384 -1.716 1.00 0.00 N ATOM 515 CA VAL A 594 -0.038 3.121 -0.726 1.00 0.00 C ATOM 516 C VAL A 594 0.803 4.372 -0.475 1.00 0.00 C ATOM 517 O VAL A 594 1.168 5.085 -1.410 1.00 0.00 O ATOM 518 CB VAL A 594 0.866 1.940 -1.156 1.00 0.00 C ATOM 519 CG1 VAL A 594 0.735 1.678 -2.646 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.323 2.178 -0.777 1.00 0.00 C ATOM 0 H VAL A 594 -0.750 3.358 -2.683 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.534 2.844 0.204 1.00 0.00 H new ATOM 0 HB VAL A 594 0.527 1.055 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.379 0.844 -2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 594 -0.300 1.433 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.033 2.569 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 594 2.925 1.327 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.684 3.082 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.403 2.295 0.304 1.00 0.00 H new ATOM 530 N TYR A 595 1.096 4.634 0.796 1.00 0.00 N ATOM 531 CA TYR A 595 1.881 5.801 1.185 1.00 0.00 C ATOM 532 C TYR A 595 3.324 5.419 1.499 1.00 0.00 C ATOM 533 O TYR A 595 3.678 4.240 1.508 1.00 0.00 O ATOM 534 CB TYR A 595 1.256 6.476 2.406 1.00 0.00 C ATOM 535 CG TYR A 595 -0.095 7.101 2.138 1.00 0.00 C ATOM 536 CD1 TYR A 595 -1.225 6.313 1.950 1.00 0.00 C ATOM 537 CD2 TYR A 595 -0.242 8.481 2.076 1.00 0.00 C ATOM 538 CE1 TYR A 595 -2.460 6.883 1.708 1.00 0.00 C ATOM 539 CE2 TYR A 595 -1.473 9.058 1.835 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.579 8.256 1.651 1.00 0.00 C ATOM 541 OH TYR A 595 -3.806 8.828 1.411 1.00 0.00 O ATOM 0 H TYR A 595 0.799 4.050 1.578 1.00 0.00 H new ATOM 0 HA TYR A 595 1.882 6.495 0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 595 1.153 5.739 3.203 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.936 7.246 2.770 1.00 0.00 H new ATOM 0 HD1 TYR A 595 -1.136 5.238 1.994 1.00 0.00 H new ATOM 0 HD2 TYR A 595 0.622 9.114 2.219 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -3.328 6.257 1.564 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -1.569 10.133 1.791 1.00 0.00 H new ATOM 0 HH TYR A 595 -3.716 9.804 1.404 1.00 0.00 H new ATOM 551 N ASN A 596 4.146 6.428 1.765 1.00 0.00 N ATOM 552 CA ASN A 596 5.553 6.216 2.090 1.00 0.00 C ATOM 553 C ASN A 596 6.001 7.166 3.199 1.00 0.00 C ATOM 554 O ASN A 596 6.468 8.273 2.931 1.00 0.00 O ATOM 555 CB ASN A 596 6.420 6.414 0.843 1.00 0.00 C ATOM 556 CG ASN A 596 7.904 6.425 1.157 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.354 5.432 1.916 1.00 0.00 O flip ATOM 558 ND2 ASN A 596 8.637 7.315 0.724 1.00 0.00 N flip ATOM 0 H ASN A 596 3.860 7.407 1.762 1.00 0.00 H new ATOM 0 HA ASN A 596 5.672 5.192 2.445 1.00 0.00 H new ATOM 0 HB2 ASN A 596 6.210 5.617 0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.148 7.353 0.362 1.00 0.00 H new ATOM 0 HD21 ASN A 596 8.248 8.059 0.144 1.00 0.00 H new ATOM 0 HD22 ASN A 596 9.633 7.308 0.945 1.00 0.00 H new ATOM 565 N GLY A 597 5.848 6.726 4.446 1.00 0.00 N ATOM 566 CA GLY A 597 6.236 7.551 5.578 1.00 0.00 C ATOM 567 C GLY A 597 5.139 8.513 5.992 1.00 0.00 C ATOM 568 O GLY A 597 4.543 8.365 7.059 1.00 0.00 O ATOM 0 H GLY A 597 5.463 5.814 4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.491 6.910 6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 597 7.133 8.115 5.323 1.00 0.00 H new ATOM 572 N THR A 598 4.871 9.497 5.141 1.00 0.00 N ATOM 573 CA THR A 598 3.838 10.489 5.411 1.00 0.00 C ATOM 574 C THR A 598 3.232 11.002 4.109 1.00 0.00 C ATOM 575 O THR A 598 2.138 11.566 4.100 1.00 0.00 O ATOM 576 CB THR A 598 4.388 11.681 6.215 1.00 0.00 C ATOM 577 OG1 THR A 598 5.741 11.951 5.830 1.00 0.00 O ATOM 578 CG2 THR A 598 4.329 11.399 7.709 1.00 0.00 C ATOM 0 H THR A 598 5.358 9.629 4.254 1.00 0.00 H new ATOM 0 HA THR A 598 3.069 9.995 6.005 1.00 0.00 H new ATOM 0 HB THR A 598 3.769 12.552 6.000 1.00 0.00 H new ATOM 0 HG1 THR A 598 6.082 12.712 6.345 1.00 0.00 H new ATOM 0 HG21 THR A 598 4.723 12.255 8.257 1.00 0.00 H new ATOM 0 HG22 THR A 598 3.295 11.223 8.005 1.00 0.00 H new ATOM 0 HG23 THR A 598 4.927 10.517 7.937 1.00 0.00 H new ATOM 586 N ALA A 599 3.951 10.793 3.011 1.00 0.00 N ATOM 587 CA ALA A 599 3.490 11.221 1.697 1.00 0.00 C ATOM 588 C ALA A 599 3.227 10.018 0.799 1.00 0.00 C ATOM 589 O ALA A 599 4.026 9.084 0.749 1.00 0.00 O ATOM 590 CB ALA A 599 4.511 12.149 1.055 1.00 0.00 C ATOM 0 H ALA A 599 4.859 10.328 3.007 1.00 0.00 H new ATOM 0 HA ALA A 599 2.554 11.765 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 599 4.153 12.461 0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 599 4.652 13.027 1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 599 5.460 11.625 0.945 1.00 0.00 H new ATOM 596 N LEU A 600 2.098 10.048 0.095 1.00 0.00 N ATOM 597 CA LEU A 600 1.721 8.957 -0.800 1.00 0.00 C ATOM 598 C LEU A 600 2.851 8.621 -1.767 1.00 0.00 C ATOM 599 O LEU A 600 3.580 9.504 -2.221 1.00 0.00 O ATOM 600 CB LEU A 600 0.460 9.326 -1.582 1.00 0.00 C ATOM 601 CG LEU A 600 -0.111 8.207 -2.454 1.00 0.00 C ATOM 602 CD1 LEU A 600 -1.377 7.639 -1.832 1.00 0.00 C ATOM 603 CD2 LEU A 600 -0.389 8.718 -3.860 1.00 0.00 C ATOM 0 H LEU A 600 1.428 10.816 0.127 1.00 0.00 H new ATOM 0 HA LEU A 600 1.521 8.077 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.307 9.643 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.683 10.183 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 600 0.628 7.408 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -1.769 6.844 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -1.149 7.236 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 600 -2.122 8.429 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -0.795 7.909 -4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -1.110 9.534 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 600 0.538 9.077 -4.307 1.00 0.00 H new ATOM 615 N ALA A 601 2.990 7.336 -2.078 1.00 0.00 N ATOM 616 CA ALA A 601 4.027 6.876 -2.991 1.00 0.00 C ATOM 617 C ALA A 601 3.424 6.381 -4.303 1.00 0.00 C ATOM 618 O ALA A 601 3.112 7.178 -5.188 1.00 0.00 O ATOM 619 CB ALA A 601 4.861 5.786 -2.334 1.00 0.00 C ATOM 0 H ALA A 601 2.395 6.594 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 601 4.678 7.719 -3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.633 5.451 -3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 601 5.330 6.180 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 601 4.219 4.945 -2.071 1.00 0.00 H new ATOM 625 N THR A 602 3.262 5.065 -4.428 1.00 0.00 N ATOM 626 CA THR A 602 2.699 4.482 -5.640 1.00 0.00 C ATOM 627 C THR A 602 1.182 4.346 -5.547 1.00 0.00 C ATOM 628 O THR A 602 0.608 4.344 -4.455 1.00 0.00 O ATOM 629 CB THR A 602 3.309 3.099 -5.943 1.00 0.00 C ATOM 630 OG1 THR A 602 2.609 2.479 -7.027 1.00 0.00 O ATOM 631 CG2 THR A 602 3.255 2.199 -4.720 1.00 0.00 C ATOM 0 H THR A 602 3.512 4.387 -3.708 1.00 0.00 H new ATOM 0 HA THR A 602 2.947 5.166 -6.452 1.00 0.00 H new ATOM 0 HB THR A 602 4.353 3.245 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.237 1.951 -7.562 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.692 1.230 -4.962 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.817 2.657 -3.906 1.00 0.00 H new ATOM 0 HG23 THR A 602 2.218 2.063 -4.414 1.00 0.00 H new ATOM 639 N THR A 603 0.546 4.221 -6.707 1.00 0.00 N ATOM 640 CA THR A 603 -0.901 4.072 -6.787 1.00 0.00 C ATOM 641 C THR A 603 -1.257 2.830 -7.592 1.00 0.00 C ATOM 642 O THR A 603 -0.840 2.686 -8.741 1.00 0.00 O ATOM 643 CB THR A 603 -1.557 5.303 -7.440 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.055 6.503 -6.840 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.071 5.253 -7.292 1.00 0.00 C ATOM 0 H THR A 603 1.016 4.220 -7.612 1.00 0.00 H new ATOM 0 HA THR A 603 -1.279 3.975 -5.769 1.00 0.00 H new ATOM 0 HB THR A 603 -1.310 5.297 -8.502 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.532 6.673 -6.001 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.512 6.133 -7.761 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.454 4.354 -7.775 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.333 5.236 -6.234 1.00 0.00 H new ATOM 653 N VAL A 604 -2.008 1.924 -6.979 1.00 0.00 N ATOM 654 CA VAL A 604 -2.391 0.686 -7.643 1.00 0.00 C ATOM 655 C VAL A 604 -3.897 0.451 -7.589 1.00 0.00 C ATOM 656 O VAL A 604 -4.655 1.297 -7.116 1.00 0.00 O ATOM 657 CB VAL A 604 -1.676 -0.517 -7.008 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.177 -0.429 -7.247 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.982 -0.593 -5.519 1.00 0.00 C ATOM 0 H VAL A 604 -2.362 2.023 -6.028 1.00 0.00 H new ATOM 0 HA VAL A 604 -2.092 0.786 -8.686 1.00 0.00 H new ATOM 0 HB VAL A 604 -2.044 -1.429 -7.478 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.315 -1.288 -6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 604 0.021 -0.424 -8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.209 0.488 -6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.468 -1.451 -5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.641 0.320 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -3.057 -0.703 -5.374 1.00 0.00 H new ATOM 669 N THR A 605 -4.314 -0.714 -8.079 1.00 0.00 N ATOM 670 CA THR A 605 -5.724 -1.085 -8.094 1.00 0.00 C ATOM 671 C THR A 605 -5.893 -2.589 -7.899 1.00 0.00 C ATOM 672 O THR A 605 -7.014 -3.096 -7.842 1.00 0.00 O ATOM 673 CB THR A 605 -6.401 -0.672 -9.416 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.539 -0.967 -10.522 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.740 0.810 -9.413 1.00 0.00 C ATOM 0 H THR A 605 -3.691 -1.419 -8.472 1.00 0.00 H new ATOM 0 HA THR A 605 -6.202 -0.555 -7.270 1.00 0.00 H new ATOM 0 HB THR A 605 -7.327 -1.239 -9.515 1.00 0.00 H new ATOM 0 HG1 THR A 605 -5.977 -0.703 -11.358 1.00 0.00 H new ATOM 0 HG21 THR A 605 -7.217 1.076 -10.356 1.00 0.00 H new ATOM 0 HG22 THR A 605 -7.420 1.026 -8.589 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.826 1.392 -9.291 1.00 0.00 H new ATOM 683 N GLY A 606 -4.771 -3.297 -7.800 1.00 0.00 N ATOM 684 CA GLY A 606 -4.812 -4.738 -7.615 1.00 0.00 C ATOM 685 C GLY A 606 -4.348 -5.165 -6.235 1.00 0.00 C ATOM 686 O GLY A 606 -4.755 -4.585 -5.228 1.00 0.00 O ATOM 0 H GLY A 606 -3.833 -2.898 -7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.830 -5.092 -7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.185 -5.215 -8.368 1.00 0.00 H new ATOM 690 N THR A 607 -3.496 -6.186 -6.189 1.00 0.00 N ATOM 691 CA THR A 607 -2.976 -6.697 -4.925 1.00 0.00 C ATOM 692 C THR A 607 -1.453 -6.603 -4.875 1.00 0.00 C ATOM 693 O THR A 607 -0.793 -7.414 -4.226 1.00 0.00 O ATOM 694 CB THR A 607 -3.395 -8.162 -4.698 1.00 0.00 C ATOM 695 OG1 THR A 607 -3.790 -8.759 -5.938 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.540 -8.251 -3.700 1.00 0.00 C ATOM 0 H THR A 607 -3.151 -6.676 -7.014 1.00 0.00 H new ATOM 0 HA THR A 607 -3.401 -6.077 -4.136 1.00 0.00 H new ATOM 0 HB THR A 607 -2.538 -8.701 -4.293 1.00 0.00 H new ATOM 0 HG1 THR A 607 -4.053 -9.690 -5.784 1.00 0.00 H new ATOM 0 HG21 THR A 607 -4.818 -9.295 -3.557 1.00 0.00 H new ATOM 0 HG22 THR A 607 -4.226 -7.825 -2.747 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.398 -7.696 -4.080 1.00 0.00 H new ATOM 704 N THR A 608 -0.901 -5.607 -5.562 1.00 0.00 N ATOM 705 CA THR A 608 0.544 -5.409 -5.595 1.00 0.00 C ATOM 706 C THR A 608 0.896 -3.968 -5.955 1.00 0.00 C ATOM 707 O THR A 608 0.251 -3.356 -6.805 1.00 0.00 O ATOM 708 CB THR A 608 1.220 -6.353 -6.607 1.00 0.00 C ATOM 709 OG1 THR A 608 0.225 -7.051 -7.366 1.00 0.00 O ATOM 710 CG2 THR A 608 2.121 -7.356 -5.900 1.00 0.00 C ATOM 0 H THR A 608 -1.432 -4.925 -6.103 1.00 0.00 H new ATOM 0 HA THR A 608 0.913 -5.634 -4.594 1.00 0.00 H new ATOM 0 HB THR A 608 1.833 -5.750 -7.277 1.00 0.00 H new ATOM 0 HG1 THR A 608 0.663 -7.648 -8.008 1.00 0.00 H new ATOM 0 HG21 THR A 608 2.586 -8.010 -6.637 1.00 0.00 H new ATOM 0 HG22 THR A 608 2.895 -6.823 -5.348 1.00 0.00 H new ATOM 0 HG23 THR A 608 1.528 -7.953 -5.208 1.00 0.00 H new ATOM 718 N ALA A 609 1.929 -3.436 -5.304 1.00 0.00 N ATOM 719 CA ALA A 609 2.375 -2.069 -5.554 1.00 0.00 C ATOM 720 C ALA A 609 3.849 -2.041 -5.950 1.00 0.00 C ATOM 721 O ALA A 609 4.606 -2.951 -5.618 1.00 0.00 O ATOM 722 CB ALA A 609 2.139 -1.204 -4.324 1.00 0.00 C ATOM 0 H ALA A 609 2.473 -3.933 -4.598 1.00 0.00 H new ATOM 0 HA ALA A 609 1.793 -1.666 -6.383 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.476 -0.187 -4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 609 1.076 -1.193 -4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.696 -1.611 -3.480 1.00 0.00 H new ATOM 728 N THR A 610 4.249 -0.991 -6.662 1.00 0.00 N ATOM 729 CA THR A 610 5.633 -0.848 -7.102 1.00 0.00 C ATOM 730 C THR A 610 6.128 0.581 -6.912 1.00 0.00 C ATOM 731 O THR A 610 5.522 1.530 -7.413 1.00 0.00 O ATOM 732 CB THR A 610 5.799 -1.245 -8.582 1.00 0.00 C ATOM 733 OG1 THR A 610 5.166 -2.508 -8.825 1.00 0.00 O ATOM 734 CG2 THR A 610 7.271 -1.331 -8.959 1.00 0.00 C ATOM 0 H THR A 610 3.635 -0.228 -6.946 1.00 0.00 H new ATOM 0 HA THR A 610 6.229 -1.520 -6.485 1.00 0.00 H new ATOM 0 HB THR A 610 5.327 -0.477 -9.195 1.00 0.00 H new ATOM 0 HG1 THR A 610 5.275 -2.752 -9.768 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.362 -1.613 -10.008 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.744 -0.362 -8.801 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.762 -2.080 -8.338 1.00 0.00 H new ATOM 742 N ILE A 611 7.232 0.728 -6.186 1.00 0.00 N ATOM 743 CA ILE A 611 7.811 2.041 -5.928 1.00 0.00 C ATOM 744 C ILE A 611 9.170 2.186 -6.604 1.00 0.00 C ATOM 745 O ILE A 611 10.052 1.342 -6.440 1.00 0.00 O ATOM 746 CB ILE A 611 7.968 2.298 -4.415 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.596 2.355 -3.742 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.739 3.588 -4.167 1.00 0.00 C ATOM 749 CD1 ILE A 611 6.121 1.018 -3.215 1.00 0.00 C ATOM 0 H ILE A 611 7.744 -0.048 -5.766 1.00 0.00 H new ATOM 0 HA ILE A 611 7.124 2.778 -6.344 1.00 0.00 H new ATOM 0 HB ILE A 611 8.534 1.474 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 611 6.635 3.067 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.866 2.734 -4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.839 3.751 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.729 3.512 -4.616 1.00 0.00 H new ATOM 0 HG23 ILE A 611 8.201 4.425 -4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 611 5.142 1.137 -2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.049 0.307 -4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.830 0.646 -2.475 1.00 0.00 H new ATOM 761 N SER A 612 9.331 3.265 -7.363 1.00 0.00 N ATOM 762 CA SER A 612 10.581 3.531 -8.065 1.00 0.00 C ATOM 763 C SER A 612 11.365 4.639 -7.369 1.00 0.00 C ATOM 764 O SER A 612 10.857 5.291 -6.457 1.00 0.00 O ATOM 765 CB SER A 612 10.302 3.921 -9.517 1.00 0.00 C ATOM 766 OG SER A 612 9.000 3.522 -9.911 1.00 0.00 O ATOM 0 H SER A 612 8.609 3.971 -7.508 1.00 0.00 H new ATOM 0 HA SER A 612 11.180 2.621 -8.052 1.00 0.00 H new ATOM 0 HB2 SER A 612 10.406 5.000 -9.634 1.00 0.00 H new ATOM 0 HB3 SER A 612 11.041 3.457 -10.170 1.00 0.00 H new ATOM 0 HG SER A 612 8.845 3.784 -10.843 1.00 0.00 H new ATOM 772 N GLY A 613 12.604 4.847 -7.805 1.00 0.00 N ATOM 773 CA GLY A 613 13.438 5.878 -7.212 1.00 0.00 C ATOM 774 C GLY A 613 13.693 5.646 -5.735 1.00 0.00 C ATOM 775 O GLY A 613 13.264 6.436 -4.894 1.00 0.00 O ATOM 0 H GLY A 613 13.046 4.320 -8.558 1.00 0.00 H new ATOM 0 HA2 GLY A 613 14.391 5.917 -7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.960 6.848 -7.346 1.00 0.00 H new ATOM 779 N LEU A 614 14.393 4.560 -5.420 1.00 0.00 N ATOM 780 CA LEU A 614 14.705 4.225 -4.035 1.00 0.00 C ATOM 781 C LEU A 614 16.210 4.277 -3.789 1.00 0.00 C ATOM 782 O LEU A 614 16.995 3.733 -4.565 1.00 0.00 O ATOM 783 CB LEU A 614 14.169 2.830 -3.697 1.00 0.00 C ATOM 784 CG LEU A 614 13.037 2.790 -2.665 1.00 0.00 C ATOM 785 CD1 LEU A 614 12.037 3.908 -2.913 1.00 0.00 C ATOM 786 CD2 LEU A 614 12.341 1.437 -2.696 1.00 0.00 C ATOM 0 H LEU A 614 14.755 3.897 -6.106 1.00 0.00 H new ATOM 0 HA LEU A 614 14.225 4.960 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 614 13.816 2.363 -4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.995 2.222 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 614 13.471 2.937 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 614 11.243 3.858 -2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 614 12.543 4.871 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 614 11.607 3.797 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 614 11.539 1.423 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 614 11.924 1.265 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 614 13.061 0.652 -2.464 1.00 0.00 H new ATOM 798 N ALA A 615 16.603 4.939 -2.705 1.00 0.00 N ATOM 799 CA ALA A 615 18.012 5.066 -2.354 1.00 0.00 C ATOM 800 C ALA A 615 18.404 4.056 -1.282 1.00 0.00 C ATOM 801 O ALA A 615 17.693 3.873 -0.295 1.00 0.00 O ATOM 802 CB ALA A 615 18.313 6.481 -1.883 1.00 0.00 C ATOM 0 H ALA A 615 15.964 5.396 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 615 18.603 4.858 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.369 6.561 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 615 18.080 7.187 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.706 6.710 -1.007 1.00 0.00 H new ATOM 808 N ALA A 616 19.543 3.401 -1.487 1.00 0.00 N ATOM 809 CA ALA A 616 20.036 2.407 -0.541 1.00 0.00 C ATOM 810 C ALA A 616 20.503 3.066 0.752 1.00 0.00 C ATOM 811 O ALA A 616 20.643 4.288 0.821 1.00 0.00 O ATOM 812 CB ALA A 616 21.166 1.604 -1.165 1.00 0.00 C ATOM 0 H ALA A 616 20.142 3.541 -2.301 1.00 0.00 H new ATOM 0 HA ALA A 616 19.216 1.732 -0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.526 0.865 -0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.802 1.096 -2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.982 2.274 -1.436 1.00 0.00 H new ATOM 818 N ASP A 617 20.744 2.247 1.773 1.00 0.00 N ATOM 819 CA ASP A 617 21.197 2.742 3.070 1.00 0.00 C ATOM 820 C ASP A 617 20.183 3.714 3.670 1.00 0.00 C ATOM 821 O ASP A 617 20.545 4.615 4.427 1.00 0.00 O ATOM 822 CB ASP A 617 22.561 3.425 2.936 1.00 0.00 C ATOM 823 CG ASP A 617 23.333 3.443 4.242 1.00 0.00 C ATOM 824 OD1 ASP A 617 22.721 3.177 5.296 1.00 0.00 O ATOM 825 OD2 ASP A 617 24.551 3.724 4.209 1.00 0.00 O ATOM 0 H ASP A 617 20.633 1.234 1.726 1.00 0.00 H new ATOM 0 HA ASP A 617 21.293 1.888 3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 617 23.149 2.909 2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.419 4.448 2.588 1.00 0.00 H new ATOM 830 N THR A 618 18.911 3.523 3.329 1.00 0.00 N ATOM 831 CA THR A 618 17.847 4.380 3.836 1.00 0.00 C ATOM 832 C THR A 618 16.651 3.556 4.302 1.00 0.00 C ATOM 833 O THR A 618 16.303 2.548 3.687 1.00 0.00 O ATOM 834 CB THR A 618 17.376 5.385 2.767 1.00 0.00 C ATOM 835 OG1 THR A 618 18.501 5.882 2.032 1.00 0.00 O ATOM 836 CG2 THR A 618 16.630 6.547 3.405 1.00 0.00 C ATOM 0 H THR A 618 18.594 2.782 2.704 1.00 0.00 H new ATOM 0 HA THR A 618 18.261 4.928 4.683 1.00 0.00 H new ATOM 0 HB THR A 618 16.698 4.867 2.089 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.641 5.329 1.235 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.308 7.242 2.630 1.00 0.00 H new ATOM 0 HG22 THR A 618 15.758 6.170 3.939 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.289 7.063 4.104 1.00 0.00 H new ATOM 844 N SER A 619 16.026 3.991 5.392 1.00 0.00 N ATOM 845 CA SER A 619 14.869 3.293 5.941 1.00 0.00 C ATOM 846 C SER A 619 13.590 3.724 5.229 1.00 0.00 C ATOM 847 O SER A 619 13.436 4.888 4.861 1.00 0.00 O ATOM 848 CB SER A 619 14.748 3.561 7.442 1.00 0.00 C ATOM 849 OG SER A 619 13.520 3.069 7.952 1.00 0.00 O ATOM 0 H SER A 619 16.302 4.824 5.912 1.00 0.00 H new ATOM 0 HA SER A 619 15.011 2.224 5.783 1.00 0.00 H new ATOM 0 HB2 SER A 619 15.578 3.089 7.967 1.00 0.00 H new ATOM 0 HB3 SER A 619 14.820 4.632 7.630 1.00 0.00 H new ATOM 0 HG SER A 619 13.469 3.251 8.913 1.00 0.00 H new ATOM 855 N TYR A 620 12.676 2.777 5.039 1.00 0.00 N ATOM 856 CA TYR A 620 11.411 3.062 4.370 1.00 0.00 C ATOM 857 C TYR A 620 10.245 2.397 5.092 1.00 0.00 C ATOM 858 O TYR A 620 10.361 1.274 5.582 1.00 0.00 O ATOM 859 CB TYR A 620 11.458 2.581 2.918 1.00 0.00 C ATOM 860 CG TYR A 620 12.288 3.461 2.011 1.00 0.00 C ATOM 861 CD1 TYR A 620 11.789 4.666 1.534 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.571 3.088 1.636 1.00 0.00 C ATOM 863 CE1 TYR A 620 12.545 5.475 0.707 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.335 3.891 0.809 1.00 0.00 C ATOM 865 CZ TYR A 620 13.814 5.075 0.339 1.00 0.00 C ATOM 866 OH TYR A 620 14.574 5.884 -0.475 1.00 0.00 O ATOM 0 H TYR A 620 12.787 1.808 5.338 1.00 0.00 H new ATOM 0 HA TYR A 620 11.260 4.141 4.389 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.860 1.568 2.893 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.441 2.530 2.529 1.00 0.00 H new ATOM 0 HD1 TYR A 620 10.793 4.976 1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.980 2.155 1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 620 12.146 6.413 0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 620 15.335 3.591 0.533 1.00 0.00 H new ATOM 0 HH TYR A 620 15.463 6.003 -0.080 1.00 0.00 H new ATOM 876 N THR A 621 9.116 3.095 5.143 1.00 0.00 N ATOM 877 CA THR A 621 7.917 2.578 5.791 1.00 0.00 C ATOM 878 C THR A 621 6.704 2.774 4.891 1.00 0.00 C ATOM 879 O THR A 621 6.310 3.905 4.607 1.00 0.00 O ATOM 880 CB THR A 621 7.655 3.268 7.141 1.00 0.00 C ATOM 881 OG1 THR A 621 7.966 4.664 7.049 1.00 0.00 O ATOM 882 CG2 THR A 621 8.485 2.630 8.245 1.00 0.00 C ATOM 0 H THR A 621 9.006 4.026 4.741 1.00 0.00 H new ATOM 0 HA THR A 621 8.081 1.516 5.971 1.00 0.00 H new ATOM 0 HB THR A 621 6.600 3.148 7.385 1.00 0.00 H new ATOM 0 HG1 THR A 621 7.589 5.029 6.221 1.00 0.00 H new ATOM 0 HG21 THR A 621 8.283 3.134 9.190 1.00 0.00 H new ATOM 0 HG22 THR A 621 8.224 1.576 8.334 1.00 0.00 H new ATOM 0 HG23 THR A 621 9.544 2.722 8.004 1.00 0.00 H new ATOM 890 N PHE A 622 6.124 1.671 4.429 1.00 0.00 N ATOM 891 CA PHE A 622 4.966 1.739 3.545 1.00 0.00 C ATOM 892 C PHE A 622 3.691 1.285 4.243 1.00 0.00 C ATOM 893 O PHE A 622 3.729 0.690 5.319 1.00 0.00 O ATOM 894 CB PHE A 622 5.201 0.884 2.301 1.00 0.00 C ATOM 895 CG PHE A 622 6.253 1.436 1.382 1.00 0.00 C ATOM 896 CD1 PHE A 622 5.972 2.500 0.542 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.526 0.889 1.363 1.00 0.00 C ATOM 898 CE1 PHE A 622 6.942 3.010 -0.300 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.499 1.393 0.523 1.00 0.00 C ATOM 900 CZ PHE A 622 8.207 2.455 -0.310 1.00 0.00 C ATOM 0 H PHE A 622 6.434 0.725 4.650 1.00 0.00 H new ATOM 0 HA PHE A 622 4.838 2.782 3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.491 -0.120 2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.264 0.790 1.752 1.00 0.00 H new ATOM 0 HD1 PHE A 622 4.984 2.936 0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.760 0.059 2.013 1.00 0.00 H new ATOM 0 HE1 PHE A 622 6.711 3.842 -0.949 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.487 0.957 0.517 1.00 0.00 H new ATOM 0 HZ PHE A 622 8.966 2.851 -0.968 1.00 0.00 H new ATOM 910 N THR A 623 2.565 1.573 3.601 1.00 0.00 N ATOM 911 CA THR A 623 1.252 1.209 4.113 1.00 0.00 C ATOM 912 C THR A 623 0.200 1.437 3.036 1.00 0.00 C ATOM 913 O THR A 623 0.125 2.521 2.459 1.00 0.00 O ATOM 914 CB THR A 623 0.879 2.031 5.362 1.00 0.00 C ATOM 915 OG1 THR A 623 1.625 3.255 5.385 1.00 0.00 O ATOM 916 CG2 THR A 623 1.149 1.244 6.636 1.00 0.00 C ATOM 0 H THR A 623 2.538 2.067 2.709 1.00 0.00 H new ATOM 0 HA THR A 623 1.287 0.156 4.393 1.00 0.00 H new ATOM 0 HB THR A 623 -0.187 2.254 5.313 1.00 0.00 H new ATOM 0 HG1 THR A 623 1.381 3.772 6.181 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.877 1.848 7.501 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.556 0.329 6.631 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.208 0.990 6.689 1.00 0.00 H new ATOM 924 N VAL A 624 -0.600 0.418 2.749 1.00 0.00 N ATOM 925 CA VAL A 624 -1.625 0.535 1.717 1.00 0.00 C ATOM 926 C VAL A 624 -3.000 0.810 2.310 1.00 0.00 C ATOM 927 O VAL A 624 -3.310 0.384 3.422 1.00 0.00 O ATOM 928 CB VAL A 624 -1.706 -0.732 0.844 1.00 0.00 C ATOM 929 CG1 VAL A 624 -2.094 -0.368 -0.580 1.00 0.00 C ATOM 930 CG2 VAL A 624 -0.388 -1.491 0.867 1.00 0.00 C ATOM 0 H VAL A 624 -0.561 -0.491 3.210 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.328 1.380 1.096 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.476 -1.385 1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -2.147 -1.273 -1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -3.066 0.125 -0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 624 -1.347 0.306 -1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -0.470 -2.381 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 624 0.407 -0.851 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -0.155 -1.785 1.890 1.00 0.00 H new ATOM 940 N LYS A 625 -3.820 1.525 1.548 1.00 0.00 N ATOM 941 CA LYS A 625 -5.169 1.865 1.974 1.00 0.00 C ATOM 942 C LYS A 625 -6.179 1.477 0.897 1.00 0.00 C ATOM 943 O LYS A 625 -5.804 1.189 -0.238 1.00 0.00 O ATOM 944 CB LYS A 625 -5.271 3.361 2.274 1.00 0.00 C ATOM 945 CG LYS A 625 -4.984 3.708 3.725 1.00 0.00 C ATOM 946 CD LYS A 625 -6.056 4.619 4.299 1.00 0.00 C ATOM 947 CE LYS A 625 -5.516 5.463 5.441 1.00 0.00 C ATOM 948 NZ LYS A 625 -6.128 6.821 5.464 1.00 0.00 N ATOM 0 H LYS A 625 -3.570 1.882 0.626 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.395 1.309 2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.572 3.900 1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -6.272 3.708 2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.927 2.793 4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -4.012 4.196 3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.440 5.270 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -6.894 4.019 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -5.711 4.960 6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -4.434 5.554 5.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -5.734 7.366 6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -5.920 7.311 4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -7.158 6.736 5.581 1.00 0.00 H new ATOM 962 N ALA A 626 -7.457 1.470 1.260 1.00 0.00 N ATOM 963 CA ALA A 626 -8.512 1.114 0.319 1.00 0.00 C ATOM 964 C ALA A 626 -9.442 2.294 0.065 1.00 0.00 C ATOM 965 O ALA A 626 -10.020 2.855 0.996 1.00 0.00 O ATOM 966 CB ALA A 626 -9.298 -0.080 0.839 1.00 0.00 C ATOM 0 H ALA A 626 -7.786 1.706 2.196 1.00 0.00 H new ATOM 0 HA ALA A 626 -8.046 0.844 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -10.083 -0.336 0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.628 -0.931 0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.747 0.171 1.800 1.00 0.00 H new ATOM 972 N LYS A 627 -9.582 2.665 -1.204 1.00 0.00 N ATOM 973 CA LYS A 627 -10.440 3.781 -1.585 1.00 0.00 C ATOM 974 C LYS A 627 -11.523 3.325 -2.560 1.00 0.00 C ATOM 975 O LYS A 627 -11.348 2.341 -3.279 1.00 0.00 O ATOM 976 CB LYS A 627 -9.607 4.896 -2.215 1.00 0.00 C ATOM 977 CG LYS A 627 -8.978 4.508 -3.543 1.00 0.00 C ATOM 978 CD LYS A 627 -7.743 5.342 -3.842 1.00 0.00 C ATOM 979 CE LYS A 627 -8.018 6.375 -4.924 1.00 0.00 C ATOM 980 NZ LYS A 627 -8.679 5.769 -6.114 1.00 0.00 N ATOM 0 H LYS A 627 -9.112 2.209 -1.986 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.923 4.162 -0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.240 5.771 -2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -8.819 5.187 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -8.709 3.452 -3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -9.707 4.637 -4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -7.413 5.845 -2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -6.930 4.689 -4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -8.651 7.165 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -7.081 6.842 -5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -8.330 6.231 -6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -8.461 4.753 -6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -9.708 5.899 -6.043 1.00 0.00 H new ATOM 994 N ASP A 628 -12.639 4.047 -2.580 1.00 0.00 N ATOM 995 CA ASP A 628 -13.747 3.715 -3.469 1.00 0.00 C ATOM 996 C ASP A 628 -13.823 4.699 -4.634 1.00 0.00 C ATOM 997 O ASP A 628 -13.111 5.703 -4.657 1.00 0.00 O ATOM 998 CB ASP A 628 -15.069 3.703 -2.691 1.00 0.00 C ATOM 999 CG ASP A 628 -15.945 4.903 -2.996 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -15.672 5.993 -2.450 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -16.903 4.753 -3.783 1.00 0.00 O ATOM 0 H ASP A 628 -12.800 4.865 -1.992 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.572 2.719 -3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.616 2.791 -2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -14.856 3.678 -1.622 1.00 0.00 H new ATOM 1006 N ALA A 629 -14.686 4.399 -5.601 1.00 0.00 N ATOM 1007 CA ALA A 629 -14.851 5.255 -6.770 1.00 0.00 C ATOM 1008 C ALA A 629 -15.772 6.434 -6.470 1.00 0.00 C ATOM 1009 O ALA A 629 -16.687 6.731 -7.239 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.390 4.445 -7.940 1.00 0.00 C ATOM 0 H ALA A 629 -15.281 3.570 -5.597 1.00 0.00 H new ATOM 0 HA ALA A 629 -13.873 5.656 -7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -15.509 5.094 -8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -14.692 3.643 -8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.356 4.017 -7.672 1.00 0.00 H new ATOM 1016 N ALA A 630 -15.523 7.104 -5.349 1.00 0.00 N ATOM 1017 CA ALA A 630 -16.329 8.253 -4.950 1.00 0.00 C ATOM 1018 C ALA A 630 -15.530 9.201 -4.063 1.00 0.00 C ATOM 1019 O ALA A 630 -15.753 10.411 -4.073 1.00 0.00 O ATOM 1020 CB ALA A 630 -17.588 7.792 -4.232 1.00 0.00 C ATOM 0 H ALA A 630 -14.770 6.871 -4.701 1.00 0.00 H new ATOM 0 HA ALA A 630 -16.616 8.794 -5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.179 8.660 -3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -18.176 7.160 -4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.313 7.225 -3.343 1.00 0.00 H new ATOM 1026 N GLY A 631 -14.598 8.643 -3.296 1.00 0.00 N ATOM 1027 CA GLY A 631 -13.778 9.452 -2.414 1.00 0.00 C ATOM 1028 C GLY A 631 -13.833 8.981 -0.973 1.00 0.00 C ATOM 1029 O GLY A 631 -13.657 9.774 -0.047 1.00 0.00 O ATOM 0 H GLY A 631 -14.396 7.643 -3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -12.745 9.429 -2.761 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -14.108 10.489 -2.466 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.074 7.687 -0.786 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.149 7.109 0.551 1.00 0.00 C ATOM 1035 C ASN A 632 -12.984 6.155 0.792 1.00 0.00 C ATOM 1036 O ASN A 632 -12.817 5.170 0.072 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.474 6.369 0.739 1.00 0.00 C ATOM 1038 CG ASN A 632 -16.674 7.259 0.488 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -16.750 8.378 0.997 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -17.624 6.766 -0.299 1.00 0.00 N ATOM 0 H ASN A 632 -14.221 7.019 -1.543 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.091 7.922 1.275 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.510 5.516 0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.525 5.973 1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -18.456 7.320 -0.502 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -17.521 5.834 -0.700 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.179 6.453 1.806 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.031 5.619 2.136 1.00 0.00 C ATOM 1049 C VAL A 633 -11.127 5.081 3.561 1.00 0.00 C ATOM 1050 O VAL A 633 -11.666 5.739 4.451 1.00 0.00 O ATOM 1051 CB VAL A 633 -9.708 6.395 1.973 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -9.503 7.360 3.129 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -8.535 5.432 1.858 1.00 0.00 C ATOM 0 H VAL A 633 -12.300 7.264 2.412 1.00 0.00 H new ATOM 0 HA VAL A 633 -11.039 4.781 1.439 1.00 0.00 H new ATOM 0 HB VAL A 633 -9.764 6.977 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -8.564 7.896 2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -10.327 8.073 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -9.471 6.804 4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -7.610 5.997 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -8.477 4.820 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -8.677 4.788 0.990 1.00 0.00 H new ATOM 1063 N SER A 634 -10.596 3.881 3.769 1.00 0.00 N ATOM 1064 CA SER A 634 -10.614 3.255 5.085 1.00 0.00 C ATOM 1065 C SER A 634 -9.366 3.635 5.875 1.00 0.00 C ATOM 1066 O SER A 634 -8.761 4.679 5.631 1.00 0.00 O ATOM 1067 CB SER A 634 -10.709 1.736 4.949 1.00 0.00 C ATOM 1068 OG SER A 634 -11.361 1.164 6.070 1.00 0.00 O ATOM 0 H SER A 634 -10.148 3.323 3.043 1.00 0.00 H new ATOM 0 HA SER A 634 -11.490 3.614 5.625 1.00 0.00 H new ATOM 0 HB2 SER A 634 -11.253 1.482 4.039 1.00 0.00 H new ATOM 0 HB3 SER A 634 -9.709 1.313 4.851 1.00 0.00 H new ATOM 0 HG SER A 634 -12.249 0.846 5.805 1.00 0.00 H new ATOM 1074 N ALA A 635 -8.983 2.783 6.820 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.803 3.032 7.638 1.00 0.00 C ATOM 1076 C ALA A 635 -6.541 2.563 6.922 1.00 0.00 C ATOM 1077 O ALA A 635 -6.605 2.062 5.800 1.00 0.00 O ATOM 1078 CB ALA A 635 -7.939 2.341 8.987 1.00 0.00 C ATOM 0 H ALA A 635 -9.472 1.915 7.038 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.721 4.106 7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.050 2.536 9.587 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -8.818 2.724 9.505 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.047 1.267 8.836 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.394 2.727 7.573 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.123 2.315 6.988 1.00 0.00 C ATOM 1086 C ALA A 636 -3.793 0.874 7.357 1.00 0.00 C ATOM 1087 O ALA A 636 -4.025 0.442 8.486 1.00 0.00 O ATOM 1088 CB ALA A 636 -3.007 3.248 7.434 1.00 0.00 C ATOM 0 H ALA A 636 -5.318 3.141 8.502 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.214 2.373 5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.065 2.927 6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.233 4.265 7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -2.923 3.221 8.520 1.00 0.00 H new ATOM 1094 N SER A 637 -3.251 0.133 6.395 1.00 0.00 N ATOM 1095 CA SER A 637 -2.888 -1.263 6.615 1.00 0.00 C ATOM 1096 C SER A 637 -1.714 -1.377 7.582 1.00 0.00 C ATOM 1097 O SER A 637 -1.282 -0.386 8.169 1.00 0.00 O ATOM 1098 CB SER A 637 -2.537 -1.932 5.285 1.00 0.00 C ATOM 1099 OG SER A 637 -1.165 -1.762 4.975 1.00 0.00 O ATOM 0 H SER A 637 -3.053 0.476 5.455 1.00 0.00 H new ATOM 0 HA SER A 637 -3.745 -1.771 7.056 1.00 0.00 H new ATOM 0 HB2 SER A 637 -2.773 -2.995 5.336 1.00 0.00 H new ATOM 0 HB3 SER A 637 -3.148 -1.508 4.488 1.00 0.00 H new ATOM 0 HG SER A 637 -0.905 -0.831 5.140 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.200 -2.594 7.738 1.00 0.00 N ATOM 1106 CA ASN A 638 -0.073 -2.839 8.631 1.00 0.00 C ATOM 1107 C ASN A 638 1.155 -2.059 8.177 1.00 0.00 C ATOM 1108 O ASN A 638 1.378 -1.875 6.980 1.00 0.00 O ATOM 1109 CB ASN A 638 0.249 -4.334 8.684 1.00 0.00 C ATOM 1110 CG ASN A 638 0.522 -4.818 10.095 1.00 0.00 C ATOM 1111 OD1 ASN A 638 1.587 -4.558 10.657 1.00 0.00 O ATOM 1112 ND2 ASN A 638 -0.441 -5.524 10.676 1.00 0.00 N ATOM 0 H ASN A 638 -1.546 -3.425 7.258 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.351 -2.500 9.629 1.00 0.00 H new ATOM 0 HB2 ASN A 638 -0.585 -4.897 8.265 1.00 0.00 H new ATOM 0 HB3 ASN A 638 1.118 -4.538 8.059 1.00 0.00 H new ATOM 0 HD21 ASN A 638 -0.314 -5.875 11.625 1.00 0.00 H new ATOM 0 HD22 ASN A 638 -1.307 -5.716 10.173 1.00 0.00 H new ATOM 1119 N ALA A 639 1.948 -1.601 9.139 1.00 0.00 N ATOM 1120 CA ALA A 639 3.152 -0.839 8.838 1.00 0.00 C ATOM 1121 C ALA A 639 4.301 -1.759 8.442 1.00 0.00 C ATOM 1122 O ALA A 639 4.729 -2.607 9.224 1.00 0.00 O ATOM 1123 CB ALA A 639 3.548 0.015 10.033 1.00 0.00 C ATOM 0 H ALA A 639 1.778 -1.745 10.134 1.00 0.00 H new ATOM 0 HA ALA A 639 2.936 -0.186 7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.449 0.579 9.794 1.00 0.00 H new ATOM 0 HB2 ALA A 639 2.739 0.706 10.270 1.00 0.00 H new ATOM 0 HB3 ALA A 639 3.739 -0.628 10.892 1.00 0.00 H new ATOM 1129 N VAL A 640 4.796 -1.582 7.220 1.00 0.00 N ATOM 1130 CA VAL A 640 5.898 -2.393 6.718 1.00 0.00 C ATOM 1131 C VAL A 640 7.218 -1.632 6.796 1.00 0.00 C ATOM 1132 O VAL A 640 7.348 -0.533 6.256 1.00 0.00 O ATOM 1133 CB VAL A 640 5.649 -2.841 5.262 1.00 0.00 C ATOM 1134 CG1 VAL A 640 5.442 -1.641 4.354 1.00 0.00 C ATOM 1135 CG2 VAL A 640 6.793 -3.712 4.764 1.00 0.00 C ATOM 0 H VAL A 640 4.451 -0.884 6.561 1.00 0.00 H new ATOM 0 HA VAL A 640 5.958 -3.278 7.352 1.00 0.00 H new ATOM 0 HB VAL A 640 4.737 -3.437 5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 640 5.268 -1.983 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 640 4.579 -1.070 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 640 6.329 -1.008 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 640 6.597 -4.017 3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 640 7.724 -3.147 4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 640 6.878 -4.597 5.395 1.00 0.00 H new ATOM 1145 N SER A 641 8.195 -2.221 7.477 1.00 0.00 N ATOM 1146 CA SER A 641 9.503 -1.596 7.627 1.00 0.00 C ATOM 1147 C SER A 641 10.538 -2.282 6.740 1.00 0.00 C ATOM 1148 O SER A 641 10.979 -3.394 7.031 1.00 0.00 O ATOM 1149 CB SER A 641 9.952 -1.647 9.089 1.00 0.00 C ATOM 1150 OG SER A 641 10.969 -0.693 9.346 1.00 0.00 O ATOM 0 H SER A 641 8.106 -3.129 7.933 1.00 0.00 H new ATOM 0 HA SER A 641 9.418 -0.554 7.317 1.00 0.00 H new ATOM 0 HB2 SER A 641 9.099 -1.458 9.741 1.00 0.00 H new ATOM 0 HB3 SER A 641 10.319 -2.646 9.325 1.00 0.00 H new ATOM 0 HG SER A 641 11.236 -0.745 10.287 1.00 0.00 H new ATOM 1156 N VAL A 642 10.919 -1.612 5.659 1.00 0.00 N ATOM 1157 CA VAL A 642 11.902 -2.156 4.729 1.00 0.00 C ATOM 1158 C VAL A 642 13.188 -1.339 4.744 1.00 0.00 C ATOM 1159 O VAL A 642 13.167 -0.124 4.547 1.00 0.00 O ATOM 1160 CB VAL A 642 11.354 -2.202 3.289 1.00 0.00 C ATOM 1161 CG1 VAL A 642 10.653 -3.525 3.024 1.00 0.00 C ATOM 1162 CG2 VAL A 642 10.413 -1.033 3.036 1.00 0.00 C ATOM 0 H VAL A 642 10.562 -0.691 5.404 1.00 0.00 H new ATOM 0 HA VAL A 642 12.116 -3.172 5.060 1.00 0.00 H new ATOM 0 HB VAL A 642 12.194 -2.118 2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 642 10.273 -3.537 2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.359 -4.344 3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 642 9.823 -3.643 3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 642 10.037 -1.083 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 642 9.577 -1.082 3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 642 10.951 -0.096 3.179 1.00 0.00 H new ATOM 1172 N LYS A 643 14.308 -2.016 4.979 1.00 0.00 N ATOM 1173 CA LYS A 643 15.606 -1.355 5.020 1.00 0.00 C ATOM 1174 C LYS A 643 16.374 -1.586 3.723 1.00 0.00 C ATOM 1175 O LYS A 643 16.951 -2.653 3.513 1.00 0.00 O ATOM 1176 CB LYS A 643 16.424 -1.862 6.210 1.00 0.00 C ATOM 1177 CG LYS A 643 17.219 -0.771 6.906 1.00 0.00 C ATOM 1178 CD LYS A 643 18.506 -1.315 7.502 1.00 0.00 C ATOM 1179 CE LYS A 643 19.654 -1.240 6.508 1.00 0.00 C ATOM 1180 NZ LYS A 643 20.669 -2.303 6.748 1.00 0.00 N ATOM 0 H LYS A 643 14.342 -3.022 5.144 1.00 0.00 H new ATOM 0 HA LYS A 643 15.438 -0.284 5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 643 15.752 -2.327 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 643 17.109 -2.637 5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 643 17.452 0.021 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 643 16.613 -0.323 7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 643 18.761 -0.749 8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 643 18.357 -2.350 7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 643 19.263 -1.334 5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 643 20.130 -0.262 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 21.434 -2.216 6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 21.061 -2.199 7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 20.221 -3.237 6.657 1.00 0.00 H new ATOM 1194 N THR A 644 16.376 -0.579 2.856 1.00 0.00 N ATOM 1195 CA THR A 644 17.072 -0.672 1.579 1.00 0.00 C ATOM 1196 C THR A 644 18.567 -0.416 1.744 1.00 0.00 C ATOM 1197 O THR A 644 18.944 0.270 2.717 1.00 0.00 O ATOM 1198 CB THR A 644 16.504 0.328 0.555 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.627 1.665 1.054 1.00 0.00 O ATOM 1200 CG2 THR A 644 15.042 0.025 0.258 1.00 0.00 C ATOM 1201 OXT THR A 644 19.346 -0.905 0.901 1.00 0.00 O ATOM 0 H THR A 644 15.903 0.311 3.015 1.00 0.00 H new ATOM 0 HA THR A 644 16.918 -1.686 1.211 1.00 0.00 H new ATOM 0 HB THR A 644 17.075 0.232 -0.369 1.00 0.00 H new ATOM 0 HG1 THR A 644 17.022 2.237 0.363 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.662 0.744 -0.468 1.00 0.00 H new ATOM 0 HG22 THR A 644 14.955 -0.982 -0.149 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.462 0.096 1.178 1.00 0.00 H new