USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=34 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 150:sc= 0.053 USER MOD Set 1.2: A 592 TYR OH : rot -15:sc= -0.379 USER MOD Set 2.1: A 572 THR OG1 : rot -9:sc= 1.19 USER MOD Set 2.2: A 574 SER OG : rot 180:sc= -0.287 USER MOD Set 2.3: A 575 SER OG : rot 180:sc= 0.00231 USER MOD Single : A 561 THR OG1 : rot 180:sc= 0 USER MOD Single : A 564 THR OG1 : rot 180:sc= 0 USER MOD Single : A 565 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 568 SER OG : rot 180:sc= -0.0296 USER MOD Single : A 569 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 571 GLN : amide:sc= -1.77! X(o=-1.8!,f=-1.5) USER MOD Single : A 573 THR OG1 : rot 180:sc=0.000619 USER MOD Single : A 577 THR OG1 : rot 81:sc= 0.0116 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 82:sc= 0.0348 USER MOD Single : A 584 THR OG1 : rot 180:sc= 0 USER MOD Single : A 586 ASN : amide:sc= -1.79! C(o=-1.8!,f=-4.2!) 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 : amide:sc= -0.538 K(o=-0.54,f=-0.013) USER MOD Single : A 598 THR OG1 : rot 53:sc= -0.169 USER MOD Single : A 602 THR OG1 : rot 161:sc= 0.0575 USER MOD Single : A 603 THR OG1 : rot 180:sc= 0 USER MOD Single : A 605 THR OG1 : rot 180:sc= 0 USER MOD Single : A 607 THR OG1 : rot 180:sc= 0 USER MOD Single : A 608 THR OG1 : rot 180:sc= 0 USER MOD Single : A 610 THR OG1 : rot 180:sc= 0 USER MOD Single : A 612 SER OG : rot 180:sc= 0.00395 USER MOD Single : A 618 THR OG1 : rot 68:sc= 0.535 USER MOD Single : A 619 SER OG : rot 180:sc= 0.077 USER MOD Single : A 620 TYR OH : rot 165:sc= 0 USER MOD Single : A 621 THR OG1 : rot 46:sc= 0.00315 USER MOD Single : A 623 THR OG1 : rot 180:sc= -0.74 USER MOD Single : A 625 LYS NZ :NH3+ 176:sc= 0.051 (180deg=0.0498) USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 632 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 634 SER OG : rot 92:sc= 0.765 USER MOD Single : A 637 SER OG : rot 130:sc= -0.357 USER MOD Single : A 638 ASN : amide:sc=-0.00304 X(o=-0.003,f=0) USER MOD Single : A 641 SER OG : rot 53:sc= 0.0447 USER MOD Single : A 643 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 644 THR OG1 : rot -179:sc= -0.488 USER MOD ----------------------------------------------------------------- ATOM 38 N ALA A 559 -17.768 3.681 4.172 1.00 0.00 N ATOM 39 CA ALA A 559 -16.365 3.538 3.803 1.00 0.00 C ATOM 40 C ALA A 559 -15.971 2.066 3.695 1.00 0.00 C ATOM 41 O ALA A 559 -16.561 1.208 4.352 1.00 0.00 O ATOM 42 CB ALA A 559 -15.479 4.254 4.812 1.00 0.00 C ATOM 0 HA ALA A 559 -16.223 3.995 2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -14.434 4.139 4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -15.735 5.313 4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -15.633 3.823 5.801 1.00 0.00 H new ATOM 48 N PRO A 560 -14.961 1.752 2.859 1.00 0.00 N ATOM 49 CA PRO A 560 -14.490 0.376 2.668 1.00 0.00 C ATOM 50 C PRO A 560 -13.707 -0.144 3.869 1.00 0.00 C ATOM 51 O PRO A 560 -13.826 0.382 4.976 1.00 0.00 O ATOM 52 CB PRO A 560 -13.581 0.484 1.445 1.00 0.00 C ATOM 53 CG PRO A 560 -13.077 1.884 1.476 1.00 0.00 C ATOM 54 CD PRO A 560 -14.200 2.713 2.036 1.00 0.00 C ATOM 0 HA PRO A 560 -15.316 -0.325 2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.762 -0.234 1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -14.128 0.280 0.525 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -12.185 1.964 2.097 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.802 2.223 0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.826 3.545 2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.816 3.140 1.245 1.00 0.00 H new ATOM 62 N THR A 561 -12.906 -1.182 3.641 1.00 0.00 N ATOM 63 CA THR A 561 -12.101 -1.778 4.701 1.00 0.00 C ATOM 64 C THR A 561 -10.612 -1.601 4.425 1.00 0.00 C ATOM 65 O THR A 561 -10.159 -1.745 3.290 1.00 0.00 O ATOM 66 CB THR A 561 -12.408 -3.278 4.863 1.00 0.00 C ATOM 67 OG1 THR A 561 -13.737 -3.559 4.411 1.00 0.00 O ATOM 68 CG2 THR A 561 -12.263 -3.704 6.316 1.00 0.00 C ATOM 0 H THR A 561 -12.798 -1.627 2.730 1.00 0.00 H new ATOM 0 HA THR A 561 -12.360 -1.261 5.625 1.00 0.00 H new ATOM 0 HB THR A 561 -11.694 -3.839 4.261 1.00 0.00 H new ATOM 0 HG1 THR A 561 -13.923 -4.515 4.516 1.00 0.00 H new ATOM 0 HG21 THR A 561 -12.485 -4.767 6.407 1.00 0.00 H new ATOM 0 HG22 THR A 561 -11.243 -3.516 6.650 1.00 0.00 H new ATOM 0 HG23 THR A 561 -12.958 -3.134 6.933 1.00 0.00 H new ATOM 76 N ALA A 562 -9.856 -1.287 5.473 1.00 0.00 N ATOM 77 CA ALA A 562 -8.418 -1.088 5.350 1.00 0.00 C ATOM 78 C ALA A 562 -7.697 -2.409 5.095 1.00 0.00 C ATOM 79 O ALA A 562 -7.942 -3.399 5.785 1.00 0.00 O ATOM 80 CB ALA A 562 -7.869 -0.425 6.606 1.00 0.00 C ATOM 0 H ALA A 562 -10.218 -1.165 6.419 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.240 -0.435 4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -6.794 -0.282 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -8.352 0.542 6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.068 -1.060 7.469 1.00 0.00 H new ATOM 86 N PRO A 563 -6.790 -2.440 4.099 1.00 0.00 N ATOM 87 CA PRO A 563 -6.024 -3.644 3.760 1.00 0.00 C ATOM 88 C PRO A 563 -5.458 -4.332 4.998 1.00 0.00 C ATOM 89 O PRO A 563 -5.269 -3.700 6.037 1.00 0.00 O ATOM 90 CB PRO A 563 -4.892 -3.101 2.890 1.00 0.00 C ATOM 91 CG PRO A 563 -5.459 -1.883 2.246 1.00 0.00 C ATOM 92 CD PRO A 563 -6.437 -1.299 3.231 1.00 0.00 C ATOM 0 HA PRO A 563 -6.638 -4.398 3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.014 -2.860 3.489 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.579 -3.833 2.146 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.672 -1.167 2.009 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -5.955 -2.134 1.308 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -5.991 -0.485 3.803 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.315 -0.892 2.729 1.00 0.00 H new ATOM 100 N THR A 564 -5.194 -5.629 4.885 1.00 0.00 N ATOM 101 CA THR A 564 -4.657 -6.392 6.005 1.00 0.00 C ATOM 102 C THR A 564 -3.534 -7.325 5.566 1.00 0.00 C ATOM 103 O THR A 564 -3.520 -7.812 4.436 1.00 0.00 O ATOM 104 CB THR A 564 -5.752 -7.226 6.693 1.00 0.00 C ATOM 105 OG1 THR A 564 -6.297 -8.179 5.773 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.862 -6.330 7.223 1.00 0.00 C ATOM 0 H THR A 564 -5.342 -6.171 4.034 1.00 0.00 H new ATOM 0 HA THR A 564 -4.259 -5.662 6.710 1.00 0.00 H new ATOM 0 HB THR A 564 -5.300 -7.754 7.533 1.00 0.00 H new ATOM 0 HG1 THR A 564 -6.992 -8.706 6.221 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.625 -6.942 7.705 1.00 0.00 H new ATOM 0 HG22 THR A 564 -6.448 -5.628 7.947 1.00 0.00 H new ATOM 0 HG23 THR A 564 -7.309 -5.777 6.397 1.00 0.00 H new ATOM 114 N ASN A 565 -2.601 -7.575 6.482 1.00 0.00 N ATOM 115 CA ASN A 565 -1.470 -8.459 6.219 1.00 0.00 C ATOM 116 C ASN A 565 -0.623 -7.971 5.045 1.00 0.00 C ATOM 117 O ASN A 565 -0.527 -8.644 4.018 1.00 0.00 O ATOM 118 CB ASN A 565 -1.961 -9.882 5.952 1.00 0.00 C ATOM 119 CG ASN A 565 -1.878 -10.764 7.181 1.00 0.00 C ATOM 120 OD1 ASN A 565 -0.799 -11.217 7.563 1.00 0.00 O ATOM 121 ND2 ASN A 565 -3.021 -11.012 7.810 1.00 0.00 N ATOM 0 H ASN A 565 -2.608 -7.174 7.420 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.839 -8.452 7.108 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -2.993 -9.847 5.603 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -1.368 -10.323 5.151 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -3.027 -11.599 8.644 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -3.893 -10.616 7.459 1.00 0.00 H new ATOM 128 N LEU A 566 0.008 -6.810 5.209 1.00 0.00 N ATOM 129 CA LEU A 566 0.865 -6.260 4.163 1.00 0.00 C ATOM 130 C LEU A 566 2.286 -6.784 4.327 1.00 0.00 C ATOM 131 O LEU A 566 2.710 -7.115 5.435 1.00 0.00 O ATOM 132 CB LEU A 566 0.867 -4.729 4.200 1.00 0.00 C ATOM 133 CG LEU A 566 1.959 -4.065 3.351 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.400 -3.607 2.013 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.575 -2.898 4.100 1.00 0.00 C ATOM 0 H LEU A 566 -0.057 -6.236 6.050 1.00 0.00 H new ATOM 0 HA LEU A 566 0.470 -6.577 3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -0.105 -4.370 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 566 0.984 -4.405 5.234 1.00 0.00 H new ATOM 0 HG LEU A 566 2.738 -4.803 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.192 -3.139 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.007 -4.466 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.599 -2.887 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 566 3.348 -2.438 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.803 -2.162 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 566 3.017 -3.255 5.030 1.00 0.00 H new ATOM 147 N ALA A 567 3.018 -6.857 3.223 1.00 0.00 N ATOM 148 CA ALA A 567 4.392 -7.340 3.255 1.00 0.00 C ATOM 149 C ALA A 567 5.159 -6.912 2.011 1.00 0.00 C ATOM 150 O ALA A 567 4.621 -6.231 1.139 1.00 0.00 O ATOM 151 CB ALA A 567 4.416 -8.855 3.393 1.00 0.00 C ATOM 0 H ALA A 567 2.685 -6.589 2.297 1.00 0.00 H new ATOM 0 HA ALA A 567 4.883 -6.896 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 567 5.449 -9.202 3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.916 -9.144 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.900 -9.306 2.545 1.00 0.00 H new ATOM 157 N SER A 568 6.418 -7.328 1.937 1.00 0.00 N ATOM 158 CA SER A 568 7.269 -7.004 0.800 1.00 0.00 C ATOM 159 C SER A 568 7.946 -8.263 0.270 1.00 0.00 C ATOM 160 O SER A 568 8.574 -9.005 1.025 1.00 0.00 O ATOM 161 CB SER A 568 8.324 -5.974 1.201 1.00 0.00 C ATOM 162 OG SER A 568 8.294 -5.728 2.596 1.00 0.00 O ATOM 0 H SER A 568 6.873 -7.893 2.654 1.00 0.00 H new ATOM 0 HA SER A 568 6.646 -6.580 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 568 9.313 -6.331 0.913 1.00 0.00 H new ATOM 0 HB3 SER A 568 8.151 -5.043 0.661 1.00 0.00 H new ATOM 0 HG SER A 568 8.980 -5.067 2.826 1.00 0.00 H new ATOM 168 N THR A 569 7.812 -8.504 -1.030 1.00 0.00 N ATOM 169 CA THR A 569 8.409 -9.680 -1.650 1.00 0.00 C ATOM 170 C THR A 569 9.715 -9.332 -2.356 1.00 0.00 C ATOM 171 O THR A 569 10.795 -9.452 -1.778 1.00 0.00 O ATOM 172 CB THR A 569 7.444 -10.331 -2.657 1.00 0.00 C ATOM 173 OG1 THR A 569 6.542 -9.348 -3.179 1.00 0.00 O ATOM 174 CG2 THR A 569 6.654 -11.453 -1.999 1.00 0.00 C ATOM 0 H THR A 569 7.297 -7.902 -1.673 1.00 0.00 H new ATOM 0 HA THR A 569 8.618 -10.389 -0.849 1.00 0.00 H new ATOM 0 HB THR A 569 8.033 -10.751 -3.472 1.00 0.00 H new ATOM 0 HG1 THR A 569 5.933 -9.771 -3.820 1.00 0.00 H new ATOM 0 HG21 THR A 569 5.978 -11.899 -2.729 1.00 0.00 H new ATOM 0 HG22 THR A 569 7.342 -12.214 -1.629 1.00 0.00 H new ATOM 0 HG23 THR A 569 6.075 -11.051 -1.167 1.00 0.00 H new ATOM 182 N ALA A 570 9.612 -8.898 -3.609 1.00 0.00 N ATOM 183 CA ALA A 570 10.787 -8.530 -4.390 1.00 0.00 C ATOM 184 C ALA A 570 11.170 -7.076 -4.140 1.00 0.00 C ATOM 185 O ALA A 570 10.595 -6.162 -4.731 1.00 0.00 O ATOM 186 CB ALA A 570 10.531 -8.767 -5.871 1.00 0.00 C ATOM 0 H ALA A 570 8.727 -8.793 -4.104 1.00 0.00 H new ATOM 0 HA ALA A 570 11.620 -9.159 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.416 -8.488 -6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.309 -9.821 -6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.684 -8.162 -6.195 1.00 0.00 H new ATOM 192 N GLN A 571 12.142 -6.868 -3.257 1.00 0.00 N ATOM 193 CA GLN A 571 12.597 -5.523 -2.923 1.00 0.00 C ATOM 194 C GLN A 571 14.061 -5.327 -3.303 1.00 0.00 C ATOM 195 O GLN A 571 14.957 -5.894 -2.677 1.00 0.00 O ATOM 196 CB GLN A 571 12.402 -5.257 -1.429 1.00 0.00 C ATOM 197 CG GLN A 571 13.045 -3.966 -0.946 1.00 0.00 C ATOM 198 CD GLN A 571 14.386 -4.198 -0.274 1.00 0.00 C ATOM 199 OE1 GLN A 571 15.324 -3.421 -0.451 1.00 0.00 O ATOM 200 NE2 GLN A 571 14.482 -5.271 0.502 1.00 0.00 N ATOM 0 H GLN A 571 12.629 -7.614 -2.760 1.00 0.00 H new ATOM 0 HA GLN A 571 12.000 -4.812 -3.495 1.00 0.00 H new ATOM 0 HB2 GLN A 571 11.334 -5.224 -1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.816 -6.092 -0.864 1.00 0.00 H new ATOM 0 HG2 GLN A 571 13.179 -3.292 -1.792 1.00 0.00 H new ATOM 0 HG3 GLN A 571 12.373 -3.469 -0.246 1.00 0.00 H new ATOM 0 HE21 GLN A 571 13.679 -5.888 0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 571 15.359 -5.478 0.980 1.00 0.00 H new ATOM 209 N THR A 572 14.296 -4.514 -4.327 1.00 0.00 N ATOM 210 CA THR A 572 15.649 -4.232 -4.788 1.00 0.00 C ATOM 211 C THR A 572 16.226 -3.015 -4.070 1.00 0.00 C ATOM 212 O THR A 572 15.706 -2.589 -3.039 1.00 0.00 O ATOM 213 CB THR A 572 15.687 -3.989 -6.308 1.00 0.00 C ATOM 214 OG1 THR A 572 14.786 -2.932 -6.658 1.00 0.00 O ATOM 215 CG2 THR A 572 15.310 -5.252 -7.068 1.00 0.00 C ATOM 0 H THR A 572 13.564 -4.038 -4.854 1.00 0.00 H new ATOM 0 HA THR A 572 16.254 -5.109 -4.557 1.00 0.00 H new ATOM 0 HB THR A 572 16.704 -3.707 -6.582 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.235 -2.701 -5.881 1.00 0.00 H new ATOM 0 HG21 THR A 572 15.344 -5.056 -8.140 1.00 0.00 H new ATOM 0 HG22 THR A 572 16.013 -6.048 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 572 14.302 -5.559 -6.787 1.00 0.00 H new ATOM 223 N THR A 573 17.302 -2.460 -4.618 1.00 0.00 N ATOM 224 CA THR A 573 17.947 -1.294 -4.024 1.00 0.00 C ATOM 225 C THR A 573 17.356 0.005 -4.564 1.00 0.00 C ATOM 226 O THR A 573 17.841 1.094 -4.255 1.00 0.00 O ATOM 227 CB THR A 573 19.465 -1.299 -4.283 1.00 0.00 C ATOM 228 OG1 THR A 573 19.723 -1.467 -5.682 1.00 0.00 O ATOM 229 CG2 THR A 573 20.142 -2.415 -3.501 1.00 0.00 C ATOM 0 H THR A 573 17.746 -2.798 -5.472 1.00 0.00 H new ATOM 0 HA THR A 573 17.766 -1.350 -2.951 1.00 0.00 H new ATOM 0 HB THR A 573 19.872 -0.344 -3.951 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.690 -1.467 -5.838 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.214 -2.400 -3.699 1.00 0.00 H new ATOM 0 HG22 THR A 573 19.968 -2.270 -2.435 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.730 -3.376 -3.808 1.00 0.00 H new ATOM 237 N SER A 574 16.306 -0.115 -5.372 1.00 0.00 N ATOM 238 CA SER A 574 15.651 1.052 -5.951 1.00 0.00 C ATOM 239 C SER A 574 14.136 0.875 -5.964 1.00 0.00 C ATOM 240 O SER A 574 13.392 1.766 -5.552 1.00 0.00 O ATOM 241 CB SER A 574 16.160 1.298 -7.374 1.00 0.00 C ATOM 242 OG SER A 574 15.517 0.442 -8.302 1.00 0.00 O ATOM 0 H SER A 574 15.892 -1.008 -5.640 1.00 0.00 H new ATOM 0 HA SER A 574 15.893 1.916 -5.333 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.984 2.337 -7.651 1.00 0.00 H new ATOM 0 HB3 SER A 574 17.237 1.136 -7.411 1.00 0.00 H new ATOM 0 HG SER A 574 15.859 0.621 -9.203 1.00 0.00 H new ATOM 248 N SER A 575 13.686 -0.282 -6.438 1.00 0.00 N ATOM 249 CA SER A 575 12.262 -0.584 -6.504 1.00 0.00 C ATOM 250 C SER A 575 11.876 -1.603 -5.437 1.00 0.00 C ATOM 251 O SER A 575 12.739 -2.254 -4.850 1.00 0.00 O ATOM 252 CB SER A 575 11.899 -1.115 -7.892 1.00 0.00 C ATOM 253 OG SER A 575 13.039 -1.158 -8.734 1.00 0.00 O ATOM 0 H SER A 575 14.290 -1.028 -6.783 1.00 0.00 H new ATOM 0 HA SER A 575 11.708 0.336 -6.319 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.471 -2.113 -7.803 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.135 -0.479 -8.340 1.00 0.00 H new ATOM 0 HG SER A 575 12.782 -1.502 -9.615 1.00 0.00 H new ATOM 259 N ILE A 576 10.576 -1.734 -5.186 1.00 0.00 N ATOM 260 CA ILE A 576 10.086 -2.676 -4.185 1.00 0.00 C ATOM 261 C ILE A 576 8.691 -3.187 -4.538 1.00 0.00 C ATOM 262 O ILE A 576 7.876 -2.459 -5.104 1.00 0.00 O ATOM 263 CB ILE A 576 10.052 -2.037 -2.782 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.662 -3.077 -1.730 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.088 -0.859 -2.756 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.877 -2.609 -0.308 1.00 0.00 C ATOM 0 H ILE A 576 9.846 -1.202 -5.660 1.00 0.00 H new ATOM 0 HA ILE A 576 10.781 -3.516 -4.177 1.00 0.00 H new ATOM 0 HB ILE A 576 11.050 -1.668 -2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.612 -3.340 -1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.241 -3.985 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 576 9.077 -0.420 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.410 -0.109 -3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.086 -1.203 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.579 -3.397 0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.931 -2.374 -0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.276 -1.718 -0.123 1.00 0.00 H new ATOM 278 N THR A 577 8.424 -4.444 -4.192 1.00 0.00 N ATOM 279 CA THR A 577 7.129 -5.057 -4.464 1.00 0.00 C ATOM 280 C THR A 577 6.343 -5.258 -3.173 1.00 0.00 C ATOM 281 O THR A 577 6.820 -5.901 -2.238 1.00 0.00 O ATOM 282 CB THR A 577 7.288 -6.416 -5.176 1.00 0.00 C ATOM 283 OG1 THR A 577 7.918 -6.230 -6.449 1.00 0.00 O ATOM 284 CG2 THR A 577 5.937 -7.093 -5.368 1.00 0.00 C ATOM 0 H THR A 577 9.089 -5.058 -3.722 1.00 0.00 H new ATOM 0 HA THR A 577 6.584 -4.378 -5.119 1.00 0.00 H new ATOM 0 HB THR A 577 7.910 -7.056 -4.551 1.00 0.00 H new ATOM 0 HG1 THR A 577 8.887 -6.153 -6.326 1.00 0.00 H new ATOM 0 HG21 THR A 577 6.078 -8.049 -5.872 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.472 -7.260 -4.396 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.293 -6.455 -5.973 1.00 0.00 H new ATOM 292 N LEU A 578 5.138 -4.699 -3.126 1.00 0.00 N ATOM 293 CA LEU A 578 4.288 -4.813 -1.947 1.00 0.00 C ATOM 294 C LEU A 578 3.067 -5.682 -2.229 1.00 0.00 C ATOM 295 O LEU A 578 2.371 -5.489 -3.227 1.00 0.00 O ATOM 296 CB LEU A 578 3.843 -3.423 -1.482 1.00 0.00 C ATOM 297 CG LEU A 578 4.188 -3.069 -0.032 1.00 0.00 C ATOM 298 CD1 LEU A 578 5.626 -3.442 0.297 1.00 0.00 C ATOM 299 CD2 LEU A 578 3.955 -1.587 0.216 1.00 0.00 C ATOM 0 H LEU A 578 4.728 -4.163 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 578 4.870 -5.289 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 578 4.296 -2.678 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 578 2.763 -3.345 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 578 3.534 -3.644 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.842 -3.179 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 578 5.765 -4.514 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 578 6.303 -2.900 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 578 4.204 -1.348 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.586 -1.002 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 578 2.908 -1.347 0.030 1.00 0.00 H new ATOM 311 N SER A 579 2.811 -6.633 -1.338 1.00 0.00 N ATOM 312 CA SER A 579 1.670 -7.530 -1.480 1.00 0.00 C ATOM 313 C SER A 579 0.829 -7.525 -0.208 1.00 0.00 C ATOM 314 O SER A 579 1.365 -7.540 0.901 1.00 0.00 O ATOM 315 CB SER A 579 2.144 -8.952 -1.788 1.00 0.00 C ATOM 316 OG SER A 579 1.083 -9.883 -1.659 1.00 0.00 O ATOM 0 H SER A 579 3.379 -6.803 -0.508 1.00 0.00 H new ATOM 0 HA SER A 579 1.056 -7.177 -2.309 1.00 0.00 H new ATOM 0 HB2 SER A 579 2.547 -8.993 -2.800 1.00 0.00 H new ATOM 0 HB3 SER A 579 2.954 -9.223 -1.111 1.00 0.00 H new ATOM 0 HG SER A 579 1.411 -10.784 -1.863 1.00 0.00 H new ATOM 322 N TRP A 580 -0.490 -7.495 -0.373 1.00 0.00 N ATOM 323 CA TRP A 580 -1.397 -7.478 0.769 1.00 0.00 C ATOM 324 C TRP A 580 -2.759 -8.059 0.399 1.00 0.00 C ATOM 325 O TRP A 580 -3.048 -8.290 -0.774 1.00 0.00 O ATOM 326 CB TRP A 580 -1.567 -6.048 1.283 1.00 0.00 C ATOM 327 CG TRP A 580 -2.197 -5.132 0.277 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.524 -4.832 0.156 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.525 -4.401 -0.755 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.718 -3.960 -0.888 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.506 -3.680 -1.462 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.189 -4.285 -1.149 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.192 -2.856 -2.540 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.121 -3.467 -2.219 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.877 -2.762 -2.903 1.00 0.00 C ATOM 0 H TRP A 580 -0.953 -7.482 -1.282 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.962 -8.096 1.554 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.179 -6.063 2.185 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.592 -5.652 1.566 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.307 -5.223 0.789 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.617 -3.583 -1.187 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.587 -4.825 -0.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -2.959 -2.311 -3.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.150 -3.370 -2.533 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.602 -2.131 -3.735 1.00 0.00 H new ATOM 346 N THR A 581 -3.590 -8.287 1.411 1.00 0.00 N ATOM 347 CA THR A 581 -4.924 -8.835 1.197 1.00 0.00 C ATOM 348 C THR A 581 -5.935 -7.725 0.938 1.00 0.00 C ATOM 349 O THR A 581 -6.017 -6.758 1.696 1.00 0.00 O ATOM 350 CB THR A 581 -5.392 -9.668 2.404 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.306 -10.452 2.914 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.545 -10.581 2.016 1.00 0.00 C ATOM 0 H THR A 581 -3.363 -8.101 2.388 1.00 0.00 H new ATOM 0 HA THR A 581 -4.864 -9.483 0.322 1.00 0.00 H new ATOM 0 HB THR A 581 -5.736 -8.982 3.178 1.00 0.00 H new ATOM 0 HG1 THR A 581 -3.748 -9.897 3.498 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.859 -11.160 2.885 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.381 -9.980 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 581 -6.222 -11.259 1.226 1.00 0.00 H new ATOM 360 N ALA A 582 -6.705 -7.873 -0.136 1.00 0.00 N ATOM 361 CA ALA A 582 -7.713 -6.885 -0.495 1.00 0.00 C ATOM 362 C ALA A 582 -8.741 -6.721 0.620 1.00 0.00 C ATOM 363 O ALA A 582 -8.822 -7.550 1.529 1.00 0.00 O ATOM 364 CB ALA A 582 -8.399 -7.279 -1.795 1.00 0.00 C ATOM 0 H ALA A 582 -6.649 -8.668 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.213 -5.927 -0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -9.150 -6.532 -2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -7.659 -7.339 -2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.880 -8.250 -1.673 1.00 0.00 H new ATOM 370 N SER A 583 -9.521 -5.649 0.549 1.00 0.00 N ATOM 371 CA SER A 583 -10.541 -5.377 1.555 1.00 0.00 C ATOM 372 C SER A 583 -11.652 -6.422 1.505 1.00 0.00 C ATOM 373 O SER A 583 -11.754 -7.190 0.548 1.00 0.00 O ATOM 374 CB SER A 583 -11.131 -3.980 1.348 1.00 0.00 C ATOM 375 OG SER A 583 -10.212 -3.133 0.680 1.00 0.00 O ATOM 0 H SER A 583 -9.467 -4.953 -0.195 1.00 0.00 H new ATOM 0 HA SER A 583 -10.068 -5.424 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 583 -12.051 -4.053 0.768 1.00 0.00 H new ATOM 0 HB3 SER A 583 -11.395 -3.547 2.313 1.00 0.00 H new ATOM 0 HG SER A 583 -10.703 -2.473 0.147 1.00 0.00 H new ATOM 381 N THR A 584 -12.484 -6.440 2.542 1.00 0.00 N ATOM 382 CA THR A 584 -13.592 -7.385 2.618 1.00 0.00 C ATOM 383 C THR A 584 -14.875 -6.760 2.084 1.00 0.00 C ATOM 384 O THR A 584 -15.922 -7.406 2.040 1.00 0.00 O ATOM 385 CB THR A 584 -13.831 -7.857 4.065 1.00 0.00 C ATOM 386 OG1 THR A 584 -12.667 -7.608 4.862 1.00 0.00 O ATOM 387 CG2 THR A 584 -14.168 -9.340 4.104 1.00 0.00 C ATOM 0 H THR A 584 -12.411 -5.811 3.341 1.00 0.00 H new ATOM 0 HA THR A 584 -13.321 -8.244 2.005 1.00 0.00 H new ATOM 0 HB THR A 584 -14.675 -7.298 4.469 1.00 0.00 H new ATOM 0 HG1 THR A 584 -12.829 -7.910 5.780 1.00 0.00 H new ATOM 0 HG21 THR A 584 -14.332 -9.649 5.136 1.00 0.00 H new ATOM 0 HG22 THR A 584 -15.071 -9.523 3.522 1.00 0.00 H new ATOM 0 HG23 THR A 584 -13.342 -9.912 3.681 1.00 0.00 H new ATOM 395 N ASP A 585 -14.783 -5.497 1.681 1.00 0.00 N ATOM 396 CA ASP A 585 -15.933 -4.777 1.148 1.00 0.00 C ATOM 397 C ASP A 585 -15.690 -4.357 -0.299 1.00 0.00 C ATOM 398 O ASP A 585 -15.624 -3.167 -0.609 1.00 0.00 O ATOM 399 CB ASP A 585 -16.233 -3.548 2.009 1.00 0.00 C ATOM 400 CG ASP A 585 -16.893 -3.909 3.327 1.00 0.00 C ATOM 401 OD1 ASP A 585 -16.913 -5.110 3.671 1.00 0.00 O ATOM 402 OD2 ASP A 585 -17.389 -2.992 4.015 1.00 0.00 O ATOM 0 H ASP A 585 -13.922 -4.951 1.714 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.794 -5.446 1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -15.305 -3.011 2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -16.882 -2.870 1.455 1.00 0.00 H new ATOM 407 N ASN A 586 -15.560 -5.344 -1.180 1.00 0.00 N ATOM 408 CA ASN A 586 -15.327 -5.083 -2.597 1.00 0.00 C ATOM 409 C ASN A 586 -16.583 -4.509 -3.252 1.00 0.00 C ATOM 410 O ASN A 586 -17.401 -3.879 -2.580 1.00 0.00 O ATOM 411 CB ASN A 586 -14.895 -6.369 -3.299 1.00 0.00 C ATOM 412 CG ASN A 586 -14.079 -6.107 -4.550 1.00 0.00 C ATOM 413 OD1 ASN A 586 -13.542 -5.015 -4.739 1.00 0.00 O ATOM 414 ND2 ASN A 586 -13.982 -7.112 -5.413 1.00 0.00 N ATOM 0 H ASN A 586 -15.612 -6.333 -0.937 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.529 -4.346 -2.691 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -14.309 -6.976 -2.609 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -15.779 -6.949 -3.562 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -13.446 -6.996 -6.273 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -14.443 -8.000 -5.216 1.00 0.00 H new ATOM 421 N VAL A 587 -16.727 -4.727 -4.563 1.00 0.00 N ATOM 422 CA VAL A 587 -17.880 -4.230 -5.320 1.00 0.00 C ATOM 423 C VAL A 587 -17.773 -2.727 -5.566 1.00 0.00 C ATOM 424 O VAL A 587 -18.133 -2.237 -6.637 1.00 0.00 O ATOM 425 CB VAL A 587 -19.217 -4.538 -4.611 1.00 0.00 C ATOM 426 CG1 VAL A 587 -20.394 -4.078 -5.457 1.00 0.00 C ATOM 427 CG2 VAL A 587 -19.325 -6.022 -4.298 1.00 0.00 C ATOM 0 H VAL A 587 -16.054 -5.248 -5.125 1.00 0.00 H new ATOM 0 HA VAL A 587 -17.869 -4.754 -6.276 1.00 0.00 H new ATOM 0 HB VAL A 587 -19.241 -3.987 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -21.326 -4.305 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -20.324 -3.003 -5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -20.377 -4.596 -6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -20.273 -6.220 -3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -19.276 -6.594 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -18.503 -6.317 -3.646 1.00 0.00 H new ATOM 437 N GLY A 588 -17.266 -2.001 -4.574 1.00 0.00 N ATOM 438 CA GLY A 588 -17.109 -0.566 -4.706 1.00 0.00 C ATOM 439 C GLY A 588 -15.653 -0.167 -4.828 1.00 0.00 C ATOM 440 O GLY A 588 -15.326 0.850 -5.442 1.00 0.00 O ATOM 0 H GLY A 588 -16.961 -2.384 -3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.655 -0.220 -5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.550 -0.071 -3.841 1.00 0.00 H new ATOM 444 N VAL A 589 -14.777 -0.979 -4.246 1.00 0.00 N ATOM 445 CA VAL A 589 -13.343 -0.727 -4.291 1.00 0.00 C ATOM 446 C VAL A 589 -12.809 -0.917 -5.708 1.00 0.00 C ATOM 447 O VAL A 589 -12.998 -1.973 -6.313 1.00 0.00 O ATOM 448 CB VAL A 589 -12.586 -1.664 -3.328 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.119 -1.269 -3.236 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.235 -1.651 -1.953 1.00 0.00 C ATOM 0 H VAL A 589 -15.038 -1.822 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.179 0.305 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.639 -2.679 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.603 -1.942 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.662 -1.335 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.040 -0.246 -2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.688 -2.318 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.214 -0.638 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.268 -1.988 -2.035 1.00 0.00 H new ATOM 460 N THR A 590 -12.157 0.114 -6.241 1.00 0.00 N ATOM 461 CA THR A 590 -11.616 0.052 -7.596 1.00 0.00 C ATOM 462 C THR A 590 -10.116 0.330 -7.628 1.00 0.00 C ATOM 463 O THR A 590 -9.506 0.339 -8.698 1.00 0.00 O ATOM 464 CB THR A 590 -12.324 1.055 -8.527 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.888 2.389 -8.235 1.00 0.00 O ATOM 466 CG2 THR A 590 -13.834 0.966 -8.373 1.00 0.00 C ATOM 0 H THR A 590 -11.991 0.997 -5.758 1.00 0.00 H new ATOM 0 HA THR A 590 -11.794 -0.964 -7.947 1.00 0.00 H new ATOM 0 HB THR A 590 -12.064 0.805 -9.556 1.00 0.00 H new ATOM 0 HG1 THR A 590 -12.342 3.020 -8.832 1.00 0.00 H new ATOM 0 HG21 THR A 590 -14.311 1.684 -9.041 1.00 0.00 H new ATOM 0 HG22 THR A 590 -14.167 -0.041 -8.625 1.00 0.00 H new ATOM 0 HG23 THR A 590 -14.109 1.191 -7.342 1.00 0.00 H new ATOM 474 N GLY A 591 -9.523 0.558 -6.461 1.00 0.00 N ATOM 475 CA GLY A 591 -8.099 0.832 -6.408 1.00 0.00 C ATOM 476 C GLY A 591 -7.576 1.001 -4.996 1.00 0.00 C ATOM 477 O GLY A 591 -8.350 1.111 -4.046 1.00 0.00 O ATOM 0 H GLY A 591 -9.998 0.558 -5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.561 0.018 -6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.888 1.737 -6.977 1.00 0.00 H new ATOM 481 N TYR A 592 -6.253 1.021 -4.866 1.00 0.00 N ATOM 482 CA TYR A 592 -5.607 1.177 -3.568 1.00 0.00 C ATOM 483 C TYR A 592 -4.531 2.258 -3.630 1.00 0.00 C ATOM 484 O TYR A 592 -4.078 2.635 -4.711 1.00 0.00 O ATOM 485 CB TYR A 592 -4.991 -0.151 -3.122 1.00 0.00 C ATOM 486 CG TYR A 592 -6.012 -1.238 -2.866 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.558 -1.966 -3.916 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.428 -1.537 -1.575 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.489 -2.962 -3.686 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.359 -2.531 -1.337 1.00 0.00 C ATOM 491 CZ TYR A 592 -7.886 -3.240 -2.396 1.00 0.00 C ATOM 492 OH TYR A 592 -8.812 -4.230 -2.163 1.00 0.00 O ATOM 0 H TYR A 592 -5.605 0.931 -5.648 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.362 1.480 -2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.293 -0.493 -3.886 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.413 0.014 -2.213 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.250 -1.750 -4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -6.017 -0.984 -0.743 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -7.903 -3.519 -4.513 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -7.672 -2.751 -0.327 1.00 0.00 H new ATOM 0 HH TYR A 592 -9.258 -4.465 -3.003 1.00 0.00 H new ATOM 502 N ASP A 593 -4.126 2.754 -2.465 1.00 0.00 N ATOM 503 CA ASP A 593 -3.105 3.794 -2.388 1.00 0.00 C ATOM 504 C ASP A 593 -1.978 3.380 -1.449 1.00 0.00 C ATOM 505 O ASP A 593 -2.223 2.869 -0.358 1.00 0.00 O ATOM 506 CB ASP A 593 -3.725 5.108 -1.911 1.00 0.00 C ATOM 507 CG ASP A 593 -4.438 5.851 -3.024 1.00 0.00 C ATOM 508 OD1 ASP A 593 -4.015 5.721 -4.191 1.00 0.00 O ATOM 509 OD2 ASP A 593 -5.421 6.562 -2.727 1.00 0.00 O ATOM 0 H ASP A 593 -4.489 2.453 -1.561 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.688 3.936 -3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -4.430 4.902 -1.106 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -2.944 5.745 -1.495 1.00 0.00 H new ATOM 514 N VAL A 594 -0.741 3.605 -1.880 1.00 0.00 N ATOM 515 CA VAL A 594 0.421 3.253 -1.074 1.00 0.00 C ATOM 516 C VAL A 594 0.988 4.475 -0.358 1.00 0.00 C ATOM 517 O VAL A 594 1.238 5.509 -0.978 1.00 0.00 O ATOM 518 CB VAL A 594 1.525 2.613 -1.935 1.00 0.00 C ATOM 519 CG1 VAL A 594 2.700 2.180 -1.071 1.00 0.00 C ATOM 520 CG2 VAL A 594 0.968 1.434 -2.718 1.00 0.00 C ATOM 0 H VAL A 594 -0.518 4.029 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 594 0.084 2.529 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 594 1.885 3.359 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 594 3.468 1.730 -1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 594 3.114 3.048 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 594 2.361 1.451 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 594 1.760 0.992 -3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 594 0.580 0.687 -2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 594 0.164 1.777 -3.369 1.00 0.00 H new ATOM 530 N TYR A 595 1.187 4.346 0.950 1.00 0.00 N ATOM 531 CA TYR A 595 1.728 5.436 1.754 1.00 0.00 C ATOM 532 C TYR A 595 3.169 5.143 2.161 1.00 0.00 C ATOM 533 O TYR A 595 3.471 4.065 2.674 1.00 0.00 O ATOM 534 CB TYR A 595 0.870 5.655 3.003 1.00 0.00 C ATOM 535 CG TYR A 595 -0.381 6.468 2.752 1.00 0.00 C ATOM 536 CD1 TYR A 595 -0.304 7.819 2.439 1.00 0.00 C ATOM 537 CD2 TYR A 595 -1.639 5.884 2.833 1.00 0.00 C ATOM 538 CE1 TYR A 595 -1.446 8.566 2.216 1.00 0.00 C ATOM 539 CE2 TYR A 595 -2.785 6.625 2.609 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.683 7.964 2.301 1.00 0.00 C ATOM 541 OH TYR A 595 -3.821 8.704 2.080 1.00 0.00 O ATOM 0 H TYR A 595 0.981 3.497 1.476 1.00 0.00 H new ATOM 0 HA TYR A 595 1.713 6.343 1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 595 0.586 4.685 3.411 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.471 6.156 3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 595 0.664 8.294 2.369 1.00 0.00 H new ATOM 0 HD2 TYR A 595 -1.723 4.835 3.075 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -1.369 9.616 1.976 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -3.756 6.156 2.675 1.00 0.00 H new ATOM 0 HH TYR A 595 -4.609 8.129 2.177 1.00 0.00 H new ATOM 551 N ASN A 596 4.052 6.107 1.926 1.00 0.00 N ATOM 552 CA ASN A 596 5.463 5.954 2.266 1.00 0.00 C ATOM 553 C ASN A 596 5.925 7.080 3.185 1.00 0.00 C ATOM 554 O ASN A 596 6.311 8.154 2.722 1.00 0.00 O ATOM 555 CB ASN A 596 6.313 5.932 0.993 1.00 0.00 C ATOM 556 CG ASN A 596 7.799 5.999 1.288 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.523 6.803 0.702 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.261 5.151 2.201 1.00 0.00 N ATOM 0 H ASN A 596 3.816 7.004 1.501 1.00 0.00 H new ATOM 0 HA ASN A 596 5.587 5.008 2.793 1.00 0.00 H new ATOM 0 HB2 ASN A 596 6.098 5.023 0.431 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.033 6.773 0.358 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.252 5.150 2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 596 7.624 4.501 2.662 1.00 0.00 H new ATOM 565 N GLY A 597 5.884 6.826 4.490 1.00 0.00 N ATOM 566 CA GLY A 597 6.302 7.826 5.457 1.00 0.00 C ATOM 567 C GLY A 597 5.479 9.096 5.371 1.00 0.00 C ATOM 568 O GLY A 597 5.966 10.127 4.906 1.00 0.00 O ATOM 0 H GLY A 597 5.568 5.945 4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.221 7.411 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 597 7.353 8.066 5.295 1.00 0.00 H new ATOM 572 N THR A 598 4.226 9.017 5.821 1.00 0.00 N ATOM 573 CA THR A 598 3.317 10.162 5.798 1.00 0.00 C ATOM 574 C THR A 598 3.361 10.880 4.451 1.00 0.00 C ATOM 575 O THR A 598 3.227 12.102 4.381 1.00 0.00 O ATOM 576 CB THR A 598 3.638 11.168 6.921 1.00 0.00 C ATOM 577 OG1 THR A 598 5.053 11.374 7.015 1.00 0.00 O ATOM 578 CG2 THR A 598 3.104 10.673 8.256 1.00 0.00 C ATOM 0 H THR A 598 3.817 8.167 6.208 1.00 0.00 H new ATOM 0 HA THR A 598 2.315 9.765 5.959 1.00 0.00 H new ATOM 0 HB THR A 598 3.153 12.113 6.677 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.406 11.624 6.136 1.00 0.00 H new ATOM 0 HG21 THR A 598 3.342 11.398 9.034 1.00 0.00 H new ATOM 0 HG22 THR A 598 2.023 10.550 8.192 1.00 0.00 H new ATOM 0 HG23 THR A 598 3.564 9.715 8.500 1.00 0.00 H new ATOM 586 N ALA A 599 3.550 10.108 3.387 1.00 0.00 N ATOM 587 CA ALA A 599 3.614 10.659 2.039 1.00 0.00 C ATOM 588 C ALA A 599 3.307 9.585 1.001 1.00 0.00 C ATOM 589 O ALA A 599 4.118 8.690 0.765 1.00 0.00 O ATOM 590 CB ALA A 599 4.985 11.266 1.783 1.00 0.00 C ATOM 0 H ALA A 599 3.662 9.095 3.433 1.00 0.00 H new ATOM 0 HA ALA A 599 2.861 11.443 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 599 5.019 11.674 0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 599 5.170 12.063 2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 599 5.749 10.496 1.890 1.00 0.00 H new ATOM 596 N LEU A 600 2.130 9.679 0.387 1.00 0.00 N ATOM 597 CA LEU A 600 1.710 8.713 -0.625 1.00 0.00 C ATOM 598 C LEU A 600 2.772 8.558 -1.710 1.00 0.00 C ATOM 599 O LEU A 600 3.161 9.531 -2.355 1.00 0.00 O ATOM 600 CB LEU A 600 0.383 9.142 -1.255 1.00 0.00 C ATOM 601 CG LEU A 600 -0.273 8.097 -2.159 1.00 0.00 C ATOM 602 CD1 LEU A 600 -1.760 7.988 -1.859 1.00 0.00 C ATOM 603 CD2 LEU A 600 -0.044 8.441 -3.623 1.00 0.00 C ATOM 0 H LEU A 600 1.449 10.415 0.573 1.00 0.00 H new ATOM 0 HA LEU A 600 1.577 7.750 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.314 9.399 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.551 10.049 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 600 0.187 7.130 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -2.209 7.240 -2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -1.901 7.693 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 600 -2.237 8.953 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -0.517 7.687 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -0.477 9.418 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 600 1.026 8.465 -3.828 1.00 0.00 H new ATOM 615 N ALA A 601 3.236 7.327 -1.903 1.00 0.00 N ATOM 616 CA ALA A 601 4.251 7.042 -2.908 1.00 0.00 C ATOM 617 C ALA A 601 3.616 6.657 -4.242 1.00 0.00 C ATOM 618 O ALA A 601 3.269 7.523 -5.045 1.00 0.00 O ATOM 619 CB ALA A 601 5.182 5.941 -2.420 1.00 0.00 C ATOM 0 H ALA A 601 2.924 6.511 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 601 4.834 7.949 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.936 5.738 -3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 601 5.672 6.260 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 601 4.606 5.035 -2.229 1.00 0.00 H new ATOM 625 N THR A 602 3.473 5.355 -4.476 1.00 0.00 N ATOM 626 CA THR A 602 2.885 4.860 -5.716 1.00 0.00 C ATOM 627 C THR A 602 1.374 4.685 -5.596 1.00 0.00 C ATOM 628 O THR A 602 0.792 4.890 -4.529 1.00 0.00 O ATOM 629 CB THR A 602 3.516 3.519 -6.139 1.00 0.00 C ATOM 630 OG1 THR A 602 3.162 3.215 -7.492 1.00 0.00 O ATOM 631 CG2 THR A 602 3.064 2.390 -5.225 1.00 0.00 C ATOM 0 H THR A 602 3.756 4.625 -3.823 1.00 0.00 H new ATOM 0 HA THR A 602 3.092 5.612 -6.478 1.00 0.00 H new ATOM 0 HB THR A 602 4.599 3.615 -6.059 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.785 2.550 -7.852 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.524 1.456 -5.546 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.364 2.609 -4.200 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.979 2.295 -5.273 1.00 0.00 H new ATOM 639 N THR A 603 0.747 4.295 -6.703 1.00 0.00 N ATOM 640 CA THR A 603 -0.693 4.077 -6.742 1.00 0.00 C ATOM 641 C THR A 603 -1.026 2.853 -7.587 1.00 0.00 C ATOM 642 O THR A 603 -0.490 2.682 -8.681 1.00 0.00 O ATOM 643 CB THR A 603 -1.434 5.300 -7.312 1.00 0.00 C ATOM 644 OG1 THR A 603 -0.926 6.503 -6.720 1.00 0.00 O ATOM 645 CG2 THR A 603 -2.929 5.196 -7.055 1.00 0.00 C ATOM 0 H THR A 603 1.220 4.123 -7.590 1.00 0.00 H new ATOM 0 HA THR A 603 -1.023 3.916 -5.716 1.00 0.00 H new ATOM 0 HB THR A 603 -1.267 5.327 -8.389 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.402 7.276 -7.090 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.431 6.072 -7.467 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.318 4.297 -7.532 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.111 5.145 -5.982 1.00 0.00 H new ATOM 653 N VAL A 604 -1.907 2.000 -7.073 1.00 0.00 N ATOM 654 CA VAL A 604 -2.296 0.790 -7.787 1.00 0.00 C ATOM 655 C VAL A 604 -3.801 0.558 -7.719 1.00 0.00 C ATOM 656 O VAL A 604 -4.549 1.398 -7.220 1.00 0.00 O ATOM 657 CB VAL A 604 -1.571 -0.447 -7.225 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.102 -0.428 -7.618 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.726 -0.513 -5.711 1.00 0.00 C ATOM 0 H VAL A 604 -2.363 2.124 -6.169 1.00 0.00 H new ATOM 0 HA VAL A 604 -2.007 0.935 -8.828 1.00 0.00 H new ATOM 0 HB VAL A 604 -2.026 -1.340 -7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.395 -1.309 -7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -0.016 -0.431 -8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.370 0.470 -7.219 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.208 -1.393 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.298 0.383 -5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.784 -0.576 -5.456 1.00 0.00 H new ATOM 669 N THR A 605 -4.235 -0.593 -8.226 1.00 0.00 N ATOM 670 CA THR A 605 -5.650 -0.949 -8.229 1.00 0.00 C ATOM 671 C THR A 605 -5.858 -2.366 -7.706 1.00 0.00 C ATOM 672 O THR A 605 -6.927 -2.700 -7.197 1.00 0.00 O ATOM 673 CB THR A 605 -6.254 -0.845 -9.641 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.796 -1.933 -10.451 1.00 0.00 O ATOM 675 CG2 THR A 605 -5.878 0.476 -10.297 1.00 0.00 C ATOM 0 H THR A 605 -3.624 -1.297 -8.641 1.00 0.00 H new ATOM 0 HA THR A 605 -6.156 -0.241 -7.573 1.00 0.00 H new ATOM 0 HB THR A 605 -7.339 -0.891 -9.551 1.00 0.00 H new ATOM 0 HG1 THR A 605 -6.186 -1.861 -11.347 1.00 0.00 H new ATOM 0 HG21 THR A 605 -6.317 0.525 -11.294 1.00 0.00 H new ATOM 0 HG22 THR A 605 -6.254 1.302 -9.694 1.00 0.00 H new ATOM 0 HG23 THR A 605 -4.793 0.548 -10.374 1.00 0.00 H new ATOM 683 N GLY A 606 -4.824 -3.193 -7.837 1.00 0.00 N ATOM 684 CA GLY A 606 -4.908 -4.568 -7.376 1.00 0.00 C ATOM 685 C GLY A 606 -4.400 -4.736 -5.957 1.00 0.00 C ATOM 686 O GLY A 606 -4.471 -3.807 -5.152 1.00 0.00 O ATOM 0 H GLY A 606 -3.930 -2.935 -8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.944 -4.903 -7.430 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.331 -5.208 -8.043 1.00 0.00 H new ATOM 690 N THR A 607 -3.884 -5.922 -5.651 1.00 0.00 N ATOM 691 CA THR A 607 -3.361 -6.207 -4.320 1.00 0.00 C ATOM 692 C THR A 607 -1.840 -6.107 -4.292 1.00 0.00 C ATOM 693 O THR A 607 -1.197 -6.537 -3.335 1.00 0.00 O ATOM 694 CB THR A 607 -3.778 -7.610 -3.838 1.00 0.00 C ATOM 695 OG1 THR A 607 -3.014 -8.609 -4.523 1.00 0.00 O ATOM 696 CG2 THR A 607 -5.261 -7.847 -4.076 1.00 0.00 C ATOM 0 H THR A 607 -3.817 -6.701 -6.306 1.00 0.00 H new ATOM 0 HA THR A 607 -3.785 -5.459 -3.650 1.00 0.00 H new ATOM 0 HB THR A 607 -3.585 -7.674 -2.767 1.00 0.00 H new ATOM 0 HG1 THR A 607 -3.283 -9.498 -4.210 1.00 0.00 H new ATOM 0 HG21 THR A 607 -5.531 -8.844 -3.727 1.00 0.00 H new ATOM 0 HG22 THR A 607 -5.841 -7.103 -3.530 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.476 -7.765 -5.141 1.00 0.00 H new ATOM 704 N THR A 608 -1.272 -5.536 -5.349 1.00 0.00 N ATOM 705 CA THR A 608 0.173 -5.377 -5.447 1.00 0.00 C ATOM 706 C THR A 608 0.542 -3.938 -5.788 1.00 0.00 C ATOM 707 O THR A 608 -0.255 -3.206 -6.374 1.00 0.00 O ATOM 708 CB THR A 608 0.772 -6.313 -6.511 1.00 0.00 C ATOM 709 OG1 THR A 608 -0.241 -7.186 -7.025 1.00 0.00 O ATOM 710 CG2 THR A 608 1.909 -7.137 -5.929 1.00 0.00 C ATOM 0 H THR A 608 -1.791 -5.176 -6.150 1.00 0.00 H new ATOM 0 HA THR A 608 0.587 -5.637 -4.473 1.00 0.00 H new ATOM 0 HB THR A 608 1.166 -5.699 -7.321 1.00 0.00 H new ATOM 0 HG1 THR A 608 0.149 -7.777 -7.703 1.00 0.00 H new ATOM 0 HG21 THR A 608 2.316 -7.791 -6.700 1.00 0.00 H new ATOM 0 HG22 THR A 608 2.692 -6.471 -5.567 1.00 0.00 H new ATOM 0 HG23 THR A 608 1.535 -7.741 -5.102 1.00 0.00 H new ATOM 718 N ALA A 609 1.756 -3.541 -5.421 1.00 0.00 N ATOM 719 CA ALA A 609 2.232 -2.189 -5.690 1.00 0.00 C ATOM 720 C ALA A 609 3.722 -2.190 -6.003 1.00 0.00 C ATOM 721 O ALA A 609 4.454 -3.089 -5.585 1.00 0.00 O ATOM 722 CB ALA A 609 1.945 -1.283 -4.505 1.00 0.00 C ATOM 0 H ALA A 609 2.428 -4.136 -4.937 1.00 0.00 H new ATOM 0 HA ALA A 609 1.700 -1.808 -6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.306 -0.277 -4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.871 -1.252 -4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.452 -1.669 -3.621 1.00 0.00 H new ATOM 728 N THR A 610 4.168 -1.178 -6.738 1.00 0.00 N ATOM 729 CA THR A 610 5.572 -1.064 -7.102 1.00 0.00 C ATOM 730 C THR A 610 6.074 0.362 -6.918 1.00 0.00 C ATOM 731 O THR A 610 5.643 1.278 -7.619 1.00 0.00 O ATOM 732 CB THR A 610 5.818 -1.498 -8.558 1.00 0.00 C ATOM 733 OG1 THR A 610 4.762 -2.360 -8.998 1.00 0.00 O ATOM 734 CG2 THR A 610 7.153 -2.215 -8.689 1.00 0.00 C ATOM 0 H THR A 610 3.577 -0.426 -7.093 1.00 0.00 H new ATOM 0 HA THR A 610 6.122 -1.730 -6.437 1.00 0.00 H new ATOM 0 HB THR A 610 5.840 -0.605 -9.182 1.00 0.00 H new ATOM 0 HG1 THR A 610 4.925 -2.630 -9.926 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.306 -2.513 -9.726 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.957 -1.546 -8.381 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.154 -3.101 -8.053 1.00 0.00 H new ATOM 742 N ILE A 611 6.992 0.542 -5.974 1.00 0.00 N ATOM 743 CA ILE A 611 7.558 1.855 -5.700 1.00 0.00 C ATOM 744 C ILE A 611 8.921 2.003 -6.366 1.00 0.00 C ATOM 745 O ILE A 611 9.878 1.317 -6.007 1.00 0.00 O ATOM 746 CB ILE A 611 7.702 2.103 -4.185 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.330 2.067 -3.509 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.391 3.435 -3.925 1.00 0.00 C ATOM 749 CD1 ILE A 611 6.089 0.815 -2.695 1.00 0.00 C ATOM 0 H ILE A 611 7.359 -0.206 -5.386 1.00 0.00 H new ATOM 0 HA ILE A 611 6.870 2.594 -6.110 1.00 0.00 H new ATOM 0 HB ILE A 611 8.319 1.311 -3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 611 6.231 2.937 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.556 2.149 -4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.484 3.593 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.383 3.426 -4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.801 4.241 -4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 611 5.097 0.859 -2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.155 -0.059 -3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.841 0.742 -1.909 1.00 0.00 H new ATOM 761 N SER A 612 8.997 2.903 -7.342 1.00 0.00 N ATOM 762 CA SER A 612 10.236 3.144 -8.068 1.00 0.00 C ATOM 763 C SER A 612 10.918 4.416 -7.574 1.00 0.00 C ATOM 764 O SER A 612 10.280 5.459 -7.434 1.00 0.00 O ATOM 765 CB SER A 612 9.956 3.253 -9.568 1.00 0.00 C ATOM 766 OG SER A 612 8.871 4.129 -9.821 1.00 0.00 O ATOM 0 H SER A 612 8.212 3.478 -7.648 1.00 0.00 H new ATOM 0 HA SER A 612 10.904 2.302 -7.888 1.00 0.00 H new ATOM 0 HB2 SER A 612 10.847 3.614 -10.082 1.00 0.00 H new ATOM 0 HB3 SER A 612 9.733 2.266 -9.972 1.00 0.00 H new ATOM 0 HG SER A 612 8.713 4.183 -10.787 1.00 0.00 H new ATOM 772 N GLY A 613 12.218 4.320 -7.311 1.00 0.00 N ATOM 773 CA GLY A 613 12.967 5.469 -6.836 1.00 0.00 C ATOM 774 C GLY A 613 13.142 5.465 -5.330 1.00 0.00 C ATOM 775 O GLY A 613 12.454 6.196 -4.616 1.00 0.00 O ATOM 0 H GLY A 613 12.766 3.466 -7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 613 13.947 5.482 -7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.454 6.383 -7.137 1.00 0.00 H new ATOM 779 N LEU A 614 14.069 4.644 -4.848 1.00 0.00 N ATOM 780 CA LEU A 614 14.341 4.547 -3.418 1.00 0.00 C ATOM 781 C LEU A 614 15.843 4.501 -3.157 1.00 0.00 C ATOM 782 O LEU A 614 16.521 3.548 -3.544 1.00 0.00 O ATOM 783 CB LEU A 614 13.669 3.304 -2.830 1.00 0.00 C ATOM 784 CG LEU A 614 12.141 3.333 -2.826 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.577 1.934 -3.027 1.00 0.00 C ATOM 786 CD2 LEU A 614 11.635 3.932 -1.527 1.00 0.00 C ATOM 0 H LEU A 614 14.646 4.035 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 614 13.931 5.433 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 614 13.999 2.431 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.017 3.172 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 614 11.802 3.956 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.488 1.976 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 614 11.919 1.538 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 614 11.919 1.285 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.545 3.948 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 614 11.984 3.329 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 614 12.012 4.949 -1.424 1.00 0.00 H new ATOM 798 N ALA A 615 16.358 5.537 -2.504 1.00 0.00 N ATOM 799 CA ALA A 615 17.781 5.617 -2.196 1.00 0.00 C ATOM 800 C ALA A 615 18.186 4.550 -1.184 1.00 0.00 C ATOM 801 O ALA A 615 17.572 4.417 -0.126 1.00 0.00 O ATOM 802 CB ALA A 615 18.131 7.001 -1.674 1.00 0.00 C ATOM 0 H ALA A 615 15.811 6.334 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 615 18.336 5.436 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.196 7.046 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 615 17.889 7.747 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.559 7.204 -0.768 1.00 0.00 H new ATOM 808 N ALA A 616 19.228 3.793 -1.518 1.00 0.00 N ATOM 809 CA ALA A 616 19.720 2.738 -0.640 1.00 0.00 C ATOM 810 C ALA A 616 20.252 3.311 0.669 1.00 0.00 C ATOM 811 O ALA A 616 20.316 4.530 0.842 1.00 0.00 O ATOM 812 CB ALA A 616 20.805 1.935 -1.342 1.00 0.00 C ATOM 0 H ALA A 616 19.747 3.891 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 616 18.885 2.079 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.165 1.150 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.397 1.485 -2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.632 2.594 -1.606 1.00 0.00 H new ATOM 818 N ASP A 617 20.634 2.425 1.585 1.00 0.00 N ATOM 819 CA ASP A 617 21.167 2.836 2.881 1.00 0.00 C ATOM 820 C ASP A 617 20.176 3.728 3.624 1.00 0.00 C ATOM 821 O ASP A 617 20.572 4.600 4.400 1.00 0.00 O ATOM 822 CB ASP A 617 22.498 3.569 2.697 1.00 0.00 C ATOM 823 CG ASP A 617 23.280 3.684 3.991 1.00 0.00 C ATOM 824 OD1 ASP A 617 23.516 2.641 4.636 1.00 0.00 O ATOM 825 OD2 ASP A 617 23.656 4.818 4.360 1.00 0.00 O ATOM 0 H ASP A 617 20.584 1.415 1.453 1.00 0.00 H new ATOM 0 HA ASP A 617 21.333 1.939 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 617 23.101 3.042 1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.308 4.567 2.301 1.00 0.00 H new ATOM 830 N THR A 618 18.888 3.508 3.383 1.00 0.00 N ATOM 831 CA THR A 618 17.846 4.296 4.029 1.00 0.00 C ATOM 832 C THR A 618 16.659 3.427 4.433 1.00 0.00 C ATOM 833 O THR A 618 16.303 2.480 3.732 1.00 0.00 O ATOM 834 CB THR A 618 17.347 5.427 3.111 1.00 0.00 C ATOM 835 OG1 THR A 618 18.459 6.082 2.489 1.00 0.00 O ATOM 836 CG2 THR A 618 16.530 6.441 3.897 1.00 0.00 C ATOM 0 H THR A 618 18.541 2.791 2.746 1.00 0.00 H new ATOM 0 HA THR A 618 18.293 4.730 4.923 1.00 0.00 H new ATOM 0 HB THR A 618 16.710 4.987 2.344 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.886 5.470 1.854 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.188 7.230 3.228 1.00 0.00 H new ATOM 0 HG22 THR A 618 15.668 5.946 4.344 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.147 6.874 4.684 1.00 0.00 H new ATOM 844 N SER A 619 16.046 3.764 5.565 1.00 0.00 N ATOM 845 CA SER A 619 14.893 3.024 6.062 1.00 0.00 C ATOM 846 C SER A 619 13.605 3.588 5.472 1.00 0.00 C ATOM 847 O SER A 619 13.414 4.803 5.425 1.00 0.00 O ATOM 848 CB SER A 619 14.840 3.084 7.589 1.00 0.00 C ATOM 849 OG SER A 619 15.898 3.873 8.105 1.00 0.00 O ATOM 0 H SER A 619 16.330 4.546 6.155 1.00 0.00 H new ATOM 0 HA SER A 619 14.993 1.983 5.755 1.00 0.00 H new ATOM 0 HB2 SER A 619 13.884 3.500 7.907 1.00 0.00 H new ATOM 0 HB3 SER A 619 14.901 2.076 7.998 1.00 0.00 H new ATOM 0 HG SER A 619 15.841 3.897 9.083 1.00 0.00 H new ATOM 855 N TYR A 620 12.729 2.700 5.013 1.00 0.00 N ATOM 856 CA TYR A 620 11.465 3.118 4.418 1.00 0.00 C ATOM 857 C TYR A 620 10.282 2.405 5.064 1.00 0.00 C ATOM 858 O TYR A 620 10.339 1.207 5.344 1.00 0.00 O ATOM 859 CB TYR A 620 11.477 2.844 2.913 1.00 0.00 C ATOM 860 CG TYR A 620 12.330 3.814 2.125 1.00 0.00 C ATOM 861 CD1 TYR A 620 11.904 5.117 1.899 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.559 3.427 1.608 1.00 0.00 C ATOM 863 CE1 TYR A 620 12.679 6.006 1.180 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.341 4.311 0.888 1.00 0.00 C ATOM 865 CZ TYR A 620 13.902 5.594 0.677 1.00 0.00 C ATOM 866 OH TYR A 620 14.670 6.483 -0.040 1.00 0.00 O ATOM 0 H TYR A 620 12.870 1.690 5.041 1.00 0.00 H new ATOM 0 HA TYR A 620 11.352 4.188 4.592 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.840 1.831 2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.455 2.885 2.537 1.00 0.00 H new ATOM 0 HD1 TYR A 620 10.951 5.440 2.292 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.910 2.419 1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 620 12.334 7.015 1.011 1.00 0.00 H new ATOM 0 HE2 TYR A 620 15.294 3.993 0.493 1.00 0.00 H new ATOM 0 HH TYR A 620 15.583 6.136 -0.121 1.00 0.00 H new ATOM 876 N THR A 621 9.206 3.152 5.287 1.00 0.00 N ATOM 877 CA THR A 621 7.995 2.603 5.885 1.00 0.00 C ATOM 878 C THR A 621 6.829 2.721 4.910 1.00 0.00 C ATOM 879 O THR A 621 6.455 3.824 4.511 1.00 0.00 O ATOM 880 CB THR A 621 7.633 3.328 7.196 1.00 0.00 C ATOM 881 OG1 THR A 621 7.902 4.729 7.073 1.00 0.00 O ATOM 882 CG2 THR A 621 8.423 2.758 8.365 1.00 0.00 C ATOM 0 H THR A 621 9.148 4.145 5.061 1.00 0.00 H new ATOM 0 HA THR A 621 8.187 1.554 6.111 1.00 0.00 H new ATOM 0 HB THR A 621 6.570 3.177 7.386 1.00 0.00 H new ATOM 0 HG1 THR A 621 7.550 5.056 6.219 1.00 0.00 H new ATOM 0 HG21 THR A 621 8.151 3.285 9.279 1.00 0.00 H new ATOM 0 HG22 THR A 621 8.195 1.698 8.476 1.00 0.00 H new ATOM 0 HG23 THR A 621 9.490 2.882 8.178 1.00 0.00 H new ATOM 890 N PHE A 622 6.271 1.583 4.508 1.00 0.00 N ATOM 891 CA PHE A 622 5.164 1.577 3.557 1.00 0.00 C ATOM 892 C PHE A 622 3.836 1.240 4.223 1.00 0.00 C ATOM 893 O PHE A 622 3.786 0.848 5.388 1.00 0.00 O ATOM 894 CB PHE A 622 5.443 0.580 2.433 1.00 0.00 C ATOM 895 CG PHE A 622 6.642 0.935 1.602 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.636 2.068 0.808 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.773 0.134 1.611 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.735 2.399 0.038 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.875 0.458 0.844 1.00 0.00 C ATOM 900 CZ PHE A 622 8.865 1.593 0.068 1.00 0.00 C ATOM 0 H PHE A 622 6.565 0.659 4.823 1.00 0.00 H new ATOM 0 HA PHE A 622 5.084 2.584 3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.590 -0.410 2.864 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.568 0.519 1.786 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.762 2.702 0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.793 -0.754 2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.715 3.281 -0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.746 -0.181 0.854 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.734 1.857 -0.517 1.00 0.00 H new ATOM 910 N THR A 623 2.764 1.394 3.452 1.00 0.00 N ATOM 911 CA THR A 623 1.414 1.112 3.919 1.00 0.00 C ATOM 912 C THR A 623 0.445 1.093 2.741 1.00 0.00 C ATOM 913 O THR A 623 0.825 1.411 1.614 1.00 0.00 O ATOM 914 CB THR A 623 0.938 2.156 4.945 1.00 0.00 C ATOM 915 OG1 THR A 623 1.740 3.338 4.851 1.00 0.00 O ATOM 916 CG2 THR A 623 1.009 1.598 6.359 1.00 0.00 C ATOM 0 H THR A 623 2.808 1.718 2.486 1.00 0.00 H new ATOM 0 HA THR A 623 1.434 0.136 4.403 1.00 0.00 H new ATOM 0 HB THR A 623 -0.100 2.404 4.722 1.00 0.00 H new ATOM 0 HG1 THR A 623 1.429 3.997 5.506 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.668 2.354 7.066 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.372 0.717 6.435 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.038 1.323 6.590 1.00 0.00 H new ATOM 924 N VAL A 624 -0.803 0.720 2.999 1.00 0.00 N ATOM 925 CA VAL A 624 -1.809 0.666 1.945 1.00 0.00 C ATOM 926 C VAL A 624 -3.154 1.187 2.432 1.00 0.00 C ATOM 927 O VAL A 624 -3.481 1.089 3.615 1.00 0.00 O ATOM 928 CB VAL A 624 -1.985 -0.763 1.397 1.00 0.00 C ATOM 929 CG1 VAL A 624 -1.111 -0.968 0.170 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.661 -1.796 2.466 1.00 0.00 C ATOM 0 H VAL A 624 -1.141 0.452 3.923 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.449 1.308 1.141 1.00 0.00 H new ATOM 0 HB VAL A 624 -3.027 -0.894 1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.245 -1.982 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.395 -0.253 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 624 -0.066 -0.816 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.792 -2.797 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.629 -1.670 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -2.330 -1.662 3.316 1.00 0.00 H new ATOM 940 N LYS A 625 -3.926 1.755 1.511 1.00 0.00 N ATOM 941 CA LYS A 625 -5.233 2.307 1.837 1.00 0.00 C ATOM 942 C LYS A 625 -6.248 2.009 0.737 1.00 0.00 C ATOM 943 O LYS A 625 -6.040 2.358 -0.424 1.00 0.00 O ATOM 944 CB LYS A 625 -5.116 3.812 2.052 1.00 0.00 C ATOM 945 CG LYS A 625 -4.930 4.195 3.508 1.00 0.00 C ATOM 946 CD LYS A 625 -6.044 5.106 3.978 1.00 0.00 C ATOM 947 CE LYS A 625 -5.701 5.777 5.296 1.00 0.00 C ATOM 948 NZ LYS A 625 -6.554 6.970 5.547 1.00 0.00 N ATOM 0 H LYS A 625 -3.666 1.844 0.529 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.586 1.836 2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.274 4.191 1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -6.012 4.298 1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.907 3.296 4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -3.969 4.694 3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.236 5.867 3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -6.962 4.530 4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -5.825 5.063 6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -4.652 6.075 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -6.337 7.361 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -6.366 7.690 4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -7.556 6.694 5.510 1.00 0.00 H new ATOM 962 N ALA A 626 -7.348 1.362 1.110 1.00 0.00 N ATOM 963 CA ALA A 626 -8.395 1.015 0.155 1.00 0.00 C ATOM 964 C ALA A 626 -9.311 2.203 -0.119 1.00 0.00 C ATOM 965 O ALA A 626 -9.738 2.895 0.805 1.00 0.00 O ATOM 966 CB ALA A 626 -9.203 -0.167 0.671 1.00 0.00 C ATOM 0 H ALA A 626 -7.537 1.067 2.068 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.917 0.738 -0.785 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.982 -0.418 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.545 -1.025 0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.662 0.094 1.625 1.00 0.00 H new ATOM 972 N LYS A 627 -9.614 2.431 -1.395 1.00 0.00 N ATOM 973 CA LYS A 627 -10.487 3.532 -1.790 1.00 0.00 C ATOM 974 C LYS A 627 -11.562 3.051 -2.758 1.00 0.00 C ATOM 975 O LYS A 627 -11.348 2.108 -3.520 1.00 0.00 O ATOM 976 CB LYS A 627 -9.675 4.662 -2.428 1.00 0.00 C ATOM 977 CG LYS A 627 -8.828 4.220 -3.611 1.00 0.00 C ATOM 978 CD LYS A 627 -8.009 5.373 -4.166 1.00 0.00 C ATOM 979 CE LYS A 627 -8.286 5.596 -5.643 1.00 0.00 C ATOM 980 NZ LYS A 627 -7.827 6.938 -6.098 1.00 0.00 N ATOM 0 H LYS A 627 -9.268 1.868 -2.172 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.974 3.913 -0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.357 5.447 -2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -9.024 5.101 -1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -8.162 3.414 -3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -9.473 3.820 -4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -8.238 6.283 -3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -6.948 5.169 -4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -7.785 4.824 -6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -9.355 5.495 -5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -8.034 7.051 -7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -8.323 7.676 -5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -6.802 7.026 -5.942 1.00 0.00 H new ATOM 994 N ASP A 628 -12.721 3.703 -2.718 1.00 0.00 N ATOM 995 CA ASP A 628 -13.832 3.339 -3.589 1.00 0.00 C ATOM 996 C ASP A 628 -14.098 4.430 -4.621 1.00 0.00 C ATOM 997 O ASP A 628 -13.413 5.452 -4.650 1.00 0.00 O ATOM 998 CB ASP A 628 -15.094 3.092 -2.761 1.00 0.00 C ATOM 999 CG ASP A 628 -15.070 1.752 -2.053 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -13.995 1.367 -1.547 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -16.126 1.088 -2.002 1.00 0.00 O ATOM 0 H ASP A 628 -12.914 4.485 -2.092 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.561 2.424 -4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.202 3.887 -2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -15.967 3.140 -3.412 1.00 0.00 H new ATOM 1006 N ALA A 629 -15.101 4.203 -5.465 1.00 0.00 N ATOM 1007 CA ALA A 629 -15.464 5.165 -6.501 1.00 0.00 C ATOM 1008 C ALA A 629 -16.505 6.156 -5.988 1.00 0.00 C ATOM 1009 O ALA A 629 -17.469 6.478 -6.685 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.984 4.441 -7.735 1.00 0.00 C ATOM 0 H ALA A 629 -15.677 3.361 -5.452 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.569 5.725 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -16.251 5.171 -8.499 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -15.210 3.778 -8.121 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.864 3.855 -7.469 1.00 0.00 H new ATOM 1016 N ALA A 630 -16.307 6.636 -4.763 1.00 0.00 N ATOM 1017 CA ALA A 630 -17.229 7.588 -4.155 1.00 0.00 C ATOM 1018 C ALA A 630 -16.503 8.520 -3.190 1.00 0.00 C ATOM 1019 O ALA A 630 -17.127 9.330 -2.505 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.348 6.852 -3.435 1.00 0.00 C ATOM 0 H ALA A 630 -15.516 6.380 -4.173 1.00 0.00 H new ATOM 0 HA ALA A 630 -17.659 8.196 -4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.029 7.575 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -18.894 6.233 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.924 6.219 -2.655 1.00 0.00 H new ATOM 1026 N GLY A 631 -15.180 8.399 -3.140 1.00 0.00 N ATOM 1027 CA GLY A 631 -14.391 9.235 -2.254 1.00 0.00 C ATOM 1028 C GLY A 631 -14.264 8.646 -0.862 1.00 0.00 C ATOM 1029 O GLY A 631 -13.774 9.304 0.055 1.00 0.00 O ATOM 0 H GLY A 631 -14.640 7.737 -3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -13.397 9.373 -2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -14.849 10.222 -2.187 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.707 7.402 -0.706 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.642 6.722 0.582 1.00 0.00 C ATOM 1035 C ASN A 632 -13.365 5.898 0.701 1.00 0.00 C ATOM 1036 O ASN A 632 -13.153 4.953 -0.059 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.860 5.815 0.766 1.00 0.00 C ATOM 1038 CG ASN A 632 -17.134 6.598 1.015 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -17.652 6.624 2.131 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -17.646 7.238 -0.029 1.00 0.00 N ATOM 0 H ASN A 632 -15.115 6.845 -1.457 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.638 7.482 1.363 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.986 5.196 -0.122 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.683 5.140 1.603 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -18.504 7.780 0.076 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -17.182 7.188 -0.936 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.519 6.261 1.659 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.264 5.553 1.878 1.00 0.00 C ATOM 1049 C VAL A 633 -11.148 5.074 3.323 1.00 0.00 C ATOM 1050 O VAL A 633 -11.448 5.815 4.260 1.00 0.00 O ATOM 1051 CB VAL A 633 -10.051 6.439 1.532 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -10.110 7.744 2.306 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -8.746 5.705 1.806 1.00 0.00 C ATOM 0 H VAL A 633 -12.680 7.041 2.296 1.00 0.00 H new ATOM 0 HA VAL A 633 -11.266 4.688 1.215 1.00 0.00 H new ATOM 0 HB VAL A 633 -10.088 6.669 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -9.246 8.358 2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -11.024 8.279 2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -10.102 7.533 3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -7.905 6.351 1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -8.694 5.437 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -8.703 4.800 1.199 1.00 0.00 H new ATOM 1063 N SER A 634 -10.715 3.828 3.496 1.00 0.00 N ATOM 1064 CA SER A 634 -10.562 3.242 4.824 1.00 0.00 C ATOM 1065 C SER A 634 -9.305 3.766 5.511 1.00 0.00 C ATOM 1066 O SER A 634 -8.773 4.810 5.135 1.00 0.00 O ATOM 1067 CB SER A 634 -10.504 1.717 4.721 1.00 0.00 C ATOM 1068 OG SER A 634 -11.274 1.108 5.743 1.00 0.00 O ATOM 0 H SER A 634 -10.463 3.203 2.730 1.00 0.00 H new ATOM 0 HA SER A 634 -11.425 3.529 5.424 1.00 0.00 H new ATOM 0 HB2 SER A 634 -10.873 1.401 3.745 1.00 0.00 H new ATOM 0 HB3 SER A 634 -9.469 1.383 4.793 1.00 0.00 H new ATOM 0 HG SER A 634 -12.186 0.956 5.419 1.00 0.00 H new ATOM 1074 N ALA A 635 -8.837 3.035 6.519 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.640 3.425 7.256 1.00 0.00 C ATOM 1076 C ALA A 635 -6.390 2.820 6.629 1.00 0.00 C ATOM 1077 O ALA A 635 -6.464 2.149 5.598 1.00 0.00 O ATOM 1078 CB ALA A 635 -7.759 3.008 8.715 1.00 0.00 C ATOM 0 H ALA A 635 -9.269 2.170 6.844 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.549 4.510 7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -6.859 3.305 9.253 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -8.626 3.493 9.163 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -7.877 1.926 8.776 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.242 3.060 7.255 1.00 0.00 N ATOM 1085 CA ALA A 636 -3.976 2.536 6.755 1.00 0.00 C ATOM 1086 C ALA A 636 -3.680 1.162 7.345 1.00 0.00 C ATOM 1087 O ALA A 636 -3.868 0.935 8.540 1.00 0.00 O ATOM 1088 CB ALA A 636 -2.843 3.501 7.070 1.00 0.00 C ATOM 0 H ALA A 636 -5.162 3.613 8.108 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.058 2.430 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -1.905 3.096 6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.042 4.462 6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -2.770 3.637 8.149 1.00 0.00 H new ATOM 1094 N SER A 637 -3.215 0.248 6.499 1.00 0.00 N ATOM 1095 CA SER A 637 -2.892 -1.106 6.935 1.00 0.00 C ATOM 1096 C SER A 637 -1.621 -1.114 7.780 1.00 0.00 C ATOM 1097 O SER A 637 -1.070 -0.060 8.100 1.00 0.00 O ATOM 1098 CB SER A 637 -2.723 -2.025 5.724 1.00 0.00 C ATOM 1099 OG SER A 637 -1.354 -2.270 5.452 1.00 0.00 O ATOM 0 H SER A 637 -3.053 0.421 5.507 1.00 0.00 H new ATOM 0 HA SER A 637 -3.715 -1.474 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 637 -3.235 -2.970 5.907 1.00 0.00 H new ATOM 0 HB3 SER A 637 -3.194 -1.572 4.852 1.00 0.00 H new ATOM 0 HG SER A 637 -1.207 -3.234 5.357 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.159 -2.311 8.138 1.00 0.00 N ATOM 1106 CA ASN A 638 0.048 -2.457 8.944 1.00 0.00 C ATOM 1107 C ASN A 638 1.239 -1.789 8.264 1.00 0.00 C ATOM 1108 O ASN A 638 1.371 -1.830 7.041 1.00 0.00 O ATOM 1109 CB ASN A 638 0.350 -3.936 9.187 1.00 0.00 C ATOM 1110 CG ASN A 638 0.474 -4.266 10.661 1.00 0.00 C ATOM 1111 OD1 ASN A 638 -0.287 -5.076 11.193 1.00 0.00 O ATOM 1112 ND2 ASN A 638 1.432 -3.637 11.331 1.00 0.00 N ATOM 0 H ASN A 638 -1.603 -3.193 7.882 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.124 -1.967 9.902 1.00 0.00 H new ATOM 0 HB2 ASN A 638 -0.442 -4.543 8.747 1.00 0.00 H new ATOM 0 HB3 ASN A 638 1.276 -4.203 8.679 1.00 0.00 H new ATOM 0 HD21 ASN A 638 1.560 -3.817 12.327 1.00 0.00 H new ATOM 0 HD22 ASN A 638 2.040 -2.974 10.850 1.00 0.00 H new ATOM 1119 N ALA A 639 2.102 -1.172 9.064 1.00 0.00 N ATOM 1120 CA ALA A 639 3.281 -0.492 8.540 1.00 0.00 C ATOM 1121 C ALA A 639 4.460 -1.451 8.421 1.00 0.00 C ATOM 1122 O ALA A 639 4.835 -2.112 9.389 1.00 0.00 O ATOM 1123 CB ALA A 639 3.646 0.687 9.427 1.00 0.00 C ATOM 0 H ALA A 639 2.007 -1.129 10.079 1.00 0.00 H new ATOM 0 HA ALA A 639 3.044 -0.123 7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.528 1.186 9.025 1.00 0.00 H new ATOM 0 HB2 ALA A 639 2.814 1.390 9.458 1.00 0.00 H new ATOM 0 HB3 ALA A 639 3.859 0.332 10.435 1.00 0.00 H new ATOM 1129 N VAL A 640 5.044 -1.519 7.227 1.00 0.00 N ATOM 1130 CA VAL A 640 6.183 -2.396 6.984 1.00 0.00 C ATOM 1131 C VAL A 640 7.493 -1.608 7.002 1.00 0.00 C ATOM 1132 O VAL A 640 7.653 -0.629 6.272 1.00 0.00 O ATOM 1133 CB VAL A 640 6.045 -3.145 5.640 1.00 0.00 C ATOM 1134 CG1 VAL A 640 5.984 -2.173 4.473 1.00 0.00 C ATOM 1135 CG2 VAL A 640 7.185 -4.136 5.460 1.00 0.00 C ATOM 0 H VAL A 640 4.747 -0.978 6.415 1.00 0.00 H new ATOM 0 HA VAL A 640 6.199 -3.131 7.788 1.00 0.00 H new ATOM 0 HB VAL A 640 5.107 -3.700 5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 640 5.887 -2.729 3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 640 5.124 -1.514 4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 640 6.897 -1.578 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 640 7.070 -4.654 4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 640 8.136 -3.603 5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 640 7.167 -4.863 6.272 1.00 0.00 H new ATOM 1145 N SER A 641 8.424 -2.040 7.847 1.00 0.00 N ATOM 1146 CA SER A 641 9.717 -1.375 7.967 1.00 0.00 C ATOM 1147 C SER A 641 10.767 -2.068 7.103 1.00 0.00 C ATOM 1148 O SER A 641 11.455 -2.982 7.556 1.00 0.00 O ATOM 1149 CB SER A 641 10.173 -1.360 9.428 1.00 0.00 C ATOM 1150 OG SER A 641 9.881 -2.593 10.065 1.00 0.00 O ATOM 0 H SER A 641 8.307 -2.848 8.459 1.00 0.00 H new ATOM 0 HA SER A 641 9.603 -0.349 7.618 1.00 0.00 H new ATOM 0 HB2 SER A 641 11.245 -1.167 9.476 1.00 0.00 H new ATOM 0 HB3 SER A 641 9.678 -0.546 9.959 1.00 0.00 H new ATOM 0 HG SER A 641 10.247 -3.331 9.533 1.00 0.00 H new ATOM 1156 N VAL A 642 10.885 -1.622 5.856 1.00 0.00 N ATOM 1157 CA VAL A 642 11.851 -2.195 4.925 1.00 0.00 C ATOM 1158 C VAL A 642 12.875 -1.150 4.493 1.00 0.00 C ATOM 1159 O VAL A 642 12.516 -0.031 4.123 1.00 0.00 O ATOM 1160 CB VAL A 642 11.150 -2.768 3.676 1.00 0.00 C ATOM 1161 CG1 VAL A 642 10.311 -1.701 2.998 1.00 0.00 C ATOM 1162 CG2 VAL A 642 12.167 -3.354 2.706 1.00 0.00 C ATOM 0 H VAL A 642 10.323 -0.865 5.467 1.00 0.00 H new ATOM 0 HA VAL A 642 12.362 -3.005 5.446 1.00 0.00 H new ATOM 0 HB VAL A 642 10.487 -3.572 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 642 9.825 -2.124 2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 642 9.553 -1.338 3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.951 -0.873 2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 642 11.650 -3.752 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 642 12.862 -2.575 2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.719 -4.155 3.197 1.00 0.00 H new ATOM 1172 N LYS A 643 14.151 -1.517 4.541 1.00 0.00 N ATOM 1173 CA LYS A 643 15.219 -0.603 4.153 1.00 0.00 C ATOM 1174 C LYS A 643 15.914 -1.078 2.882 1.00 0.00 C ATOM 1175 O LYS A 643 16.256 -2.253 2.751 1.00 0.00 O ATOM 1176 CB LYS A 643 16.239 -0.458 5.282 1.00 0.00 C ATOM 1177 CG LYS A 643 16.505 -1.749 6.036 1.00 0.00 C ATOM 1178 CD LYS A 643 17.988 -1.939 6.320 1.00 0.00 C ATOM 1179 CE LYS A 643 18.549 -0.802 7.161 1.00 0.00 C ATOM 1180 NZ LYS A 643 19.562 -1.281 8.139 1.00 0.00 N ATOM 0 H LYS A 643 14.470 -2.437 4.844 1.00 0.00 H new ATOM 0 HA LYS A 643 14.768 0.370 3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 643 17.177 -0.091 4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 643 15.885 0.296 5.985 1.00 0.00 H new ATOM 0 HG2 LYS A 643 15.952 -1.742 6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 643 16.135 -2.593 5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 643 18.141 -2.885 6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 643 18.534 -1.999 5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 643 19.000 -0.056 6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 643 17.736 -0.309 7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 19.919 -0.476 8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 19.125 -1.974 8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 20.351 -1.729 7.630 1.00 0.00 H new ATOM 1194 N THR A 644 16.122 -0.154 1.949 1.00 0.00 N ATOM 1195 CA THR A 644 16.778 -0.472 0.687 1.00 0.00 C ATOM 1196 C THR A 644 18.292 -0.516 0.852 1.00 0.00 C ATOM 1197 O THR A 644 18.988 -0.770 -0.153 1.00 0.00 O ATOM 1198 CB THR A 644 16.425 0.553 -0.405 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.604 1.885 0.094 1.00 0.00 O ATOM 1200 CG2 THR A 644 14.990 0.373 -0.875 1.00 0.00 C ATOM 1201 OXT THR A 644 18.770 -0.295 1.986 1.00 0.00 O ATOM 0 H THR A 644 15.845 0.823 2.044 1.00 0.00 H new ATOM 0 HA THR A 644 16.417 -1.455 0.383 1.00 0.00 H new ATOM 0 HB THR A 644 17.092 0.389 -1.252 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.363 2.531 -0.603 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.765 1.109 -1.647 1.00 0.00 H new ATOM 0 HG22 THR A 644 14.864 -0.630 -1.282 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.311 0.511 -0.033 1.00 0.00 H new