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 561 THR OG1 : rot 77:sc= 1.05 USER MOD Set 1.2: A 583 SER OG : rot -140:sc= 1.48 USER MOD Set 2.1: A 572 THR OG1 : rot 180:sc= 0.679 USER MOD Set 2.2: A 575 SER OG : rot 35:sc= 0.329 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 -150:sc= 0 USER MOD Single : A 569 THR OG1 : rot 180:sc= 0.172 USER MOD Single : A 571 GLN : amide:sc= -2.47! C(o=-2.5!,f=-3.4!) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0.0668 USER MOD Single : A 574 SER OG : rot 180:sc= -0.198 USER MOD Single : A 577 THR OG1 : rot 78:sc= 0.284 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 94:sc= 0.694 USER MOD Single : A 584 THR OG1 : rot 180:sc= 0.067 USER MOD Single : A 586 ASN : amide:sc= 0.176 K(o=0.18,f=-4.8!) USER MOD Single : A 590 THR OG1 : rot 180:sc= 0 USER MOD Single : A 592 TYR OH : rot 30:sc= 0.0419 USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN : amide:sc= -2.1 K(o=-2.1,f=-9.1!) USER MOD Single : A 598 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 THR OG1 : rot 180:sc= -0.492 USER MOD Single : A 603 THR OG1 : rot 180:sc= 0 USER MOD Single : A 605 THR OG1 : rot 180:sc= 0 USER MOD Single : A 607 THR OG1 : rot 180:sc= 0 USER MOD Single : A 608 THR OG1 : rot 180:sc= 0 USER MOD Single : A 610 THR OG1 : rot 180:sc= 0 USER MOD Single : A 612 SER OG : rot 180:sc= 0 USER MOD Single : A 618 THR OG1 : rot 63:sc= 0.272 USER MOD Single : A 619 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 620 TYR OH : rot 100:sc= 0 USER MOD Single : A 621 THR OG1 : rot 180:sc= 0 USER MOD Single : A 623 THR OG1 : rot 180:sc= -0.0237 USER MOD Single : A 625 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 627 LYS NZ :NH3+ 155:sc= -2.63! (180deg=-5.23!) USER MOD Single : A 632 ASN : amide:sc= -0.0086 X(o=-0.0086,f=-0.39) USER MOD Single : A 634 SER OG : rot 108:sc= 0.509 USER MOD Single : A 637 SER OG : rot 98:sc= -1.3 USER MOD Single : A 638 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD Single : A 643 LYS NZ :NH3+ -102:sc= -0.436 (180deg=-1.71!) USER MOD Single : A 644 THR OG1 : rot 174:sc= 1.64 USER MOD ----------------------------------------------------------------- ATOM 38 N ALA A 559 -17.577 2.915 3.173 1.00 0.00 N ATOM 39 CA ALA A 559 -16.139 2.762 2.991 1.00 0.00 C ATOM 40 C ALA A 559 -15.729 1.294 3.082 1.00 0.00 C ATOM 41 O ALA A 559 -16.320 0.523 3.837 1.00 0.00 O ATOM 42 CB ALA A 559 -15.388 3.588 4.024 1.00 0.00 C ATOM 0 HA ALA A 559 -15.880 3.123 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -14.315 3.465 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -15.652 4.640 3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -15.658 3.252 5.025 1.00 0.00 H new ATOM 48 N PRO A 560 -14.702 0.887 2.313 1.00 0.00 N ATOM 49 CA PRO A 560 -14.217 -0.496 2.316 1.00 0.00 C ATOM 50 C PRO A 560 -13.464 -0.837 3.597 1.00 0.00 C ATOM 51 O PRO A 560 -13.624 -0.169 4.619 1.00 0.00 O ATOM 52 CB PRO A 560 -13.279 -0.543 1.112 1.00 0.00 C ATOM 53 CG PRO A 560 -12.790 0.855 0.963 1.00 0.00 C ATOM 54 CD PRO A 560 -13.933 1.739 1.383 1.00 0.00 C ATOM 0 HA PRO A 560 -15.032 -1.218 2.264 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.454 -1.236 1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -13.801 -0.878 0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -11.912 1.030 1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.497 1.059 -0.067 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.580 2.648 1.870 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.536 2.048 0.529 1.00 0.00 H new ATOM 62 N THR A 561 -12.645 -1.882 3.538 1.00 0.00 N ATOM 63 CA THR A 561 -11.871 -2.311 4.697 1.00 0.00 C ATOM 64 C THR A 561 -10.386 -2.032 4.502 1.00 0.00 C ATOM 65 O THR A 561 -9.825 -2.309 3.442 1.00 0.00 O ATOM 66 CB THR A 561 -12.069 -3.810 4.980 1.00 0.00 C ATOM 67 OG1 THR A 561 -13.237 -4.286 4.303 1.00 0.00 O ATOM 68 CG2 THR A 561 -12.203 -4.067 6.473 1.00 0.00 C ATOM 0 H THR A 561 -12.500 -2.447 2.701 1.00 0.00 H new ATOM 0 HA THR A 561 -12.235 -1.737 5.549 1.00 0.00 H new ATOM 0 HB THR A 561 -11.193 -4.344 4.613 1.00 0.00 H new ATOM 0 HG1 THR A 561 -13.038 -4.405 3.351 1.00 0.00 H new ATOM 0 HG21 THR A 561 -12.342 -5.134 6.647 1.00 0.00 H new ATOM 0 HG22 THR A 561 -11.300 -3.731 6.983 1.00 0.00 H new ATOM 0 HG23 THR A 561 -13.063 -3.521 6.860 1.00 0.00 H new ATOM 76 N ALA A 562 -9.757 -1.481 5.534 1.00 0.00 N ATOM 77 CA ALA A 562 -8.335 -1.163 5.486 1.00 0.00 C ATOM 78 C ALA A 562 -7.494 -2.432 5.352 1.00 0.00 C ATOM 79 O ALA A 562 -7.662 -3.374 6.127 1.00 0.00 O ATOM 80 CB ALA A 562 -7.929 -0.393 6.733 1.00 0.00 C ATOM 0 H ALA A 562 -10.211 -1.245 6.416 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.154 -0.542 4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -6.865 -0.161 6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -8.501 0.533 6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.130 -0.999 7.616 1.00 0.00 H new ATOM 86 N PRO A 563 -6.571 -2.474 4.370 1.00 0.00 N ATOM 87 CA PRO A 563 -5.699 -3.635 4.150 1.00 0.00 C ATOM 88 C PRO A 563 -5.108 -4.163 5.453 1.00 0.00 C ATOM 89 O PRO A 563 -4.675 -3.389 6.307 1.00 0.00 O ATOM 90 CB PRO A 563 -4.599 -3.075 3.250 1.00 0.00 C ATOM 91 CG PRO A 563 -5.261 -1.983 2.484 1.00 0.00 C ATOM 92 CD PRO A 563 -6.300 -1.391 3.403 1.00 0.00 C ATOM 0 HA PRO A 563 -6.234 -4.480 3.717 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -3.761 -2.697 3.836 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.202 -3.842 2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.537 -1.228 2.179 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -5.721 -2.370 1.575 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -5.930 -0.494 3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.200 -1.106 2.859 1.00 0.00 H new ATOM 100 N THR A 564 -5.102 -5.482 5.606 1.00 0.00 N ATOM 101 CA THR A 564 -4.573 -6.106 6.813 1.00 0.00 C ATOM 102 C THR A 564 -3.397 -7.022 6.504 1.00 0.00 C ATOM 103 O THR A 564 -3.324 -7.619 5.428 1.00 0.00 O ATOM 104 CB THR A 564 -5.654 -6.919 7.544 1.00 0.00 C ATOM 105 OG1 THR A 564 -6.109 -7.992 6.711 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.831 -6.034 7.926 1.00 0.00 C ATOM 0 H THR A 564 -5.457 -6.139 4.911 1.00 0.00 H new ATOM 0 HA THR A 564 -4.234 -5.293 7.455 1.00 0.00 H new ATOM 0 HB THR A 564 -5.215 -7.327 8.454 1.00 0.00 H new ATOM 0 HG1 THR A 564 -6.796 -8.505 7.185 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.583 -6.631 8.442 1.00 0.00 H new ATOM 0 HG22 THR A 564 -6.488 -5.236 8.584 1.00 0.00 H new ATOM 0 HG23 THR A 564 -7.267 -5.600 7.026 1.00 0.00 H new ATOM 114 N ASN A 565 -2.483 -7.135 7.464 1.00 0.00 N ATOM 115 CA ASN A 565 -1.307 -7.986 7.315 1.00 0.00 C ATOM 116 C ASN A 565 -0.505 -7.618 6.070 1.00 0.00 C ATOM 117 O ASN A 565 -0.342 -8.435 5.163 1.00 0.00 O ATOM 118 CB ASN A 565 -1.724 -9.454 7.258 1.00 0.00 C ATOM 119 CG ASN A 565 -1.922 -10.053 8.636 1.00 0.00 C ATOM 120 OD1 ASN A 565 -3.053 -10.254 9.080 1.00 0.00 O ATOM 121 ND2 ASN A 565 -0.822 -10.339 9.321 1.00 0.00 N ATOM 0 H ASN A 565 -2.535 -6.645 8.357 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.667 -7.828 8.183 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -2.650 -9.544 6.689 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -0.964 -10.024 6.723 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -0.893 -10.742 10.255 1.00 0.00 H new ATOM 0 HD22 ASN A 565 0.095 -10.156 8.913 1.00 0.00 H new ATOM 128 N LEU A 566 0.002 -6.389 6.035 1.00 0.00 N ATOM 129 CA LEU A 566 0.796 -5.929 4.901 1.00 0.00 C ATOM 130 C LEU A 566 2.098 -6.715 4.814 1.00 0.00 C ATOM 131 O LEU A 566 2.542 -7.305 5.800 1.00 0.00 O ATOM 132 CB LEU A 566 1.097 -4.433 5.019 1.00 0.00 C ATOM 133 CG LEU A 566 2.070 -3.889 3.971 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.413 -3.849 2.601 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.566 -2.512 4.364 1.00 0.00 C ATOM 0 H LEU A 566 -0.122 -5.697 6.774 1.00 0.00 H new ATOM 0 HA LEU A 566 0.218 -6.096 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 566 0.160 -3.881 4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.505 -4.236 6.010 1.00 0.00 H new ATOM 0 HG LEU A 566 2.928 -4.560 3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.121 -3.459 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.111 -4.856 2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.536 -3.203 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 566 3.257 -2.144 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.720 -1.830 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 566 3.079 -2.570 5.324 1.00 0.00 H new ATOM 147 N ALA A 567 2.710 -6.721 3.634 1.00 0.00 N ATOM 148 CA ALA A 567 3.962 -7.438 3.437 1.00 0.00 C ATOM 149 C ALA A 567 4.703 -6.945 2.201 1.00 0.00 C ATOM 150 O ALA A 567 4.214 -6.085 1.469 1.00 0.00 O ATOM 151 CB ALA A 567 3.706 -8.934 3.340 1.00 0.00 C ATOM 0 H ALA A 567 2.361 -6.240 2.805 1.00 0.00 H new ATOM 0 HA ALA A 567 4.595 -7.242 4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 567 4.651 -9.456 3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.238 -9.283 4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.045 -9.136 2.497 1.00 0.00 H new ATOM 157 N SER A 568 5.888 -7.507 1.976 1.00 0.00 N ATOM 158 CA SER A 568 6.712 -7.144 0.831 1.00 0.00 C ATOM 159 C SER A 568 7.243 -8.395 0.138 1.00 0.00 C ATOM 160 O SER A 568 7.438 -9.430 0.775 1.00 0.00 O ATOM 161 CB SER A 568 7.876 -6.260 1.277 1.00 0.00 C ATOM 162 OG SER A 568 7.917 -6.143 2.689 1.00 0.00 O ATOM 0 H SER A 568 6.300 -8.221 2.578 1.00 0.00 H new ATOM 0 HA SER A 568 6.096 -6.588 0.125 1.00 0.00 H new ATOM 0 HB2 SER A 568 8.815 -6.681 0.917 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.777 -5.271 0.830 1.00 0.00 H new ATOM 0 HG SER A 568 8.299 -5.275 2.934 1.00 0.00 H new ATOM 168 N THR A 569 7.471 -8.298 -1.168 1.00 0.00 N ATOM 169 CA THR A 569 7.974 -9.430 -1.939 1.00 0.00 C ATOM 170 C THR A 569 9.309 -9.103 -2.605 1.00 0.00 C ATOM 171 O THR A 569 10.371 -9.322 -2.022 1.00 0.00 O ATOM 172 CB THR A 569 6.964 -9.868 -3.017 1.00 0.00 C ATOM 173 OG1 THR A 569 6.367 -8.718 -3.627 1.00 0.00 O ATOM 174 CG2 THR A 569 5.879 -10.749 -2.415 1.00 0.00 C ATOM 0 H THR A 569 7.316 -7.450 -1.713 1.00 0.00 H new ATOM 0 HA THR A 569 8.120 -10.249 -1.234 1.00 0.00 H new ATOM 0 HB THR A 569 7.500 -10.442 -3.773 1.00 0.00 H new ATOM 0 HG1 THR A 569 5.728 -9.006 -4.312 1.00 0.00 H new ATOM 0 HG21 THR A 569 5.177 -11.046 -3.194 1.00 0.00 H new ATOM 0 HG22 THR A 569 6.333 -11.638 -1.978 1.00 0.00 H new ATOM 0 HG23 THR A 569 5.348 -10.195 -1.641 1.00 0.00 H new ATOM 182 N ALA A 570 9.250 -8.584 -3.829 1.00 0.00 N ATOM 183 CA ALA A 570 10.456 -8.236 -4.572 1.00 0.00 C ATOM 184 C ALA A 570 10.878 -6.796 -4.297 1.00 0.00 C ATOM 185 O ALA A 570 10.362 -5.861 -4.909 1.00 0.00 O ATOM 186 CB ALA A 570 10.237 -8.448 -6.062 1.00 0.00 C ATOM 0 H ALA A 570 8.380 -8.396 -4.326 1.00 0.00 H new ATOM 0 HA ALA A 570 11.260 -8.891 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.145 -8.184 -6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 570 9.993 -9.494 -6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.415 -7.818 -6.402 1.00 0.00 H new ATOM 192 N GLN A 571 11.823 -6.627 -3.377 1.00 0.00 N ATOM 193 CA GLN A 571 12.318 -5.302 -3.022 1.00 0.00 C ATOM 194 C GLN A 571 13.777 -5.140 -3.434 1.00 0.00 C ATOM 195 O GLN A 571 14.680 -5.651 -2.770 1.00 0.00 O ATOM 196 CB GLN A 571 12.173 -5.064 -1.516 1.00 0.00 C ATOM 197 CG GLN A 571 11.008 -5.810 -0.889 1.00 0.00 C ATOM 198 CD GLN A 571 11.457 -7.006 -0.069 1.00 0.00 C ATOM 199 OE1 GLN A 571 12.204 -7.858 -0.551 1.00 0.00 O ATOM 200 NE2 GLN A 571 11.002 -7.073 1.176 1.00 0.00 N ATOM 0 H GLN A 571 12.261 -7.392 -2.864 1.00 0.00 H new ATOM 0 HA GLN A 571 11.721 -4.564 -3.558 1.00 0.00 H new ATOM 0 HB2 GLN A 571 13.095 -5.365 -1.019 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.048 -3.996 -1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 571 10.445 -5.128 -0.252 1.00 0.00 H new ATOM 0 HG3 GLN A 571 10.331 -6.146 -1.674 1.00 0.00 H new ATOM 0 HE21 GLN A 571 10.385 -6.344 1.533 1.00 0.00 H new ATOM 0 HE22 GLN A 571 11.270 -7.854 1.775 1.00 0.00 H new ATOM 209 N THR A 572 14.002 -4.429 -4.535 1.00 0.00 N ATOM 210 CA THR A 572 15.353 -4.203 -5.035 1.00 0.00 C ATOM 211 C THR A 572 15.974 -2.958 -4.407 1.00 0.00 C ATOM 212 O THR A 572 15.504 -2.468 -3.381 1.00 0.00 O ATOM 213 CB THR A 572 15.370 -4.059 -6.569 1.00 0.00 C ATOM 214 OG1 THR A 572 14.929 -2.750 -6.945 1.00 0.00 O ATOM 215 CG2 THR A 572 14.480 -5.107 -7.221 1.00 0.00 C ATOM 0 H THR A 572 13.267 -4.000 -5.097 1.00 0.00 H new ATOM 0 HA THR A 572 15.942 -5.076 -4.756 1.00 0.00 H new ATOM 0 HB THR A 572 16.393 -4.209 -6.914 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.944 -2.668 -7.921 1.00 0.00 H new ATOM 0 HG21 THR A 572 14.508 -4.985 -8.304 1.00 0.00 H new ATOM 0 HG22 THR A 572 14.838 -6.103 -6.958 1.00 0.00 H new ATOM 0 HG23 THR A 572 13.456 -4.985 -6.869 1.00 0.00 H new ATOM 223 N THR A 573 17.039 -2.455 -5.028 1.00 0.00 N ATOM 224 CA THR A 573 17.731 -1.273 -4.525 1.00 0.00 C ATOM 225 C THR A 573 17.195 0.007 -5.161 1.00 0.00 C ATOM 226 O THR A 573 17.855 1.045 -5.133 1.00 0.00 O ATOM 227 CB THR A 573 19.248 -1.360 -4.781 1.00 0.00 C ATOM 228 OG1 THR A 573 19.511 -2.230 -5.888 1.00 0.00 O ATOM 229 CG2 THR A 573 19.976 -1.868 -3.547 1.00 0.00 C ATOM 0 H THR A 573 17.440 -2.848 -5.879 1.00 0.00 H new ATOM 0 HA THR A 573 17.547 -1.241 -3.451 1.00 0.00 H new ATOM 0 HB THR A 573 19.612 -0.359 -5.013 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.477 -2.278 -6.044 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.045 -1.921 -3.751 1.00 0.00 H new ATOM 0 HG22 THR A 573 19.799 -1.187 -2.714 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.606 -2.860 -3.289 1.00 0.00 H new ATOM 237 N SER A 574 15.994 -0.068 -5.728 1.00 0.00 N ATOM 238 CA SER A 574 15.378 1.094 -6.362 1.00 0.00 C ATOM 239 C SER A 574 13.865 0.928 -6.467 1.00 0.00 C ATOM 240 O SER A 574 13.108 1.854 -6.177 1.00 0.00 O ATOM 241 CB SER A 574 15.976 1.322 -7.752 1.00 0.00 C ATOM 242 OG SER A 574 15.326 0.525 -8.726 1.00 0.00 O ATOM 0 H SER A 574 15.430 -0.917 -5.762 1.00 0.00 H new ATOM 0 HA SER A 574 15.584 1.963 -5.737 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.887 2.375 -8.021 1.00 0.00 H new ATOM 0 HB3 SER A 574 17.040 1.086 -7.736 1.00 0.00 H new ATOM 0 HG SER A 574 15.726 0.691 -9.605 1.00 0.00 H new ATOM 248 N SER A 575 13.431 -0.255 -6.887 1.00 0.00 N ATOM 249 CA SER A 575 12.008 -0.538 -7.031 1.00 0.00 C ATOM 250 C SER A 575 11.562 -1.600 -6.033 1.00 0.00 C ATOM 251 O SER A 575 12.091 -2.710 -6.016 1.00 0.00 O ATOM 252 CB SER A 575 11.699 -1.001 -8.456 1.00 0.00 C ATOM 253 OG SER A 575 12.470 -2.137 -8.803 1.00 0.00 O ATOM 0 H SER A 575 14.043 -1.033 -7.133 1.00 0.00 H new ATOM 0 HA SER A 575 11.459 0.381 -6.828 1.00 0.00 H new ATOM 0 HB2 SER A 575 10.639 -1.238 -8.543 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.903 -0.191 -9.157 1.00 0.00 H new ATOM 0 HG SER A 575 12.589 -2.705 -8.014 1.00 0.00 H new ATOM 259 N ILE A 576 10.586 -1.250 -5.202 1.00 0.00 N ATOM 260 CA ILE A 576 10.069 -2.174 -4.200 1.00 0.00 C ATOM 261 C ILE A 576 8.663 -2.643 -4.557 1.00 0.00 C ATOM 262 O ILE A 576 7.823 -1.854 -4.992 1.00 0.00 O ATOM 263 CB ILE A 576 10.053 -1.531 -2.797 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.550 -2.530 -1.752 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.193 -0.276 -2.795 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.759 -2.072 -0.325 1.00 0.00 C ATOM 0 H ILE A 576 10.138 -0.334 -5.203 1.00 0.00 H new ATOM 0 HA ILE A 576 10.738 -3.034 -4.186 1.00 0.00 H new ATOM 0 HB ILE A 576 11.073 -1.249 -2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.487 -2.709 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.060 -3.482 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 576 9.193 0.164 -1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.596 0.443 -3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.172 -0.534 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.379 -2.830 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.823 -1.920 -0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.226 -1.135 -0.162 1.00 0.00 H new ATOM 278 N THR A 577 8.412 -3.934 -4.366 1.00 0.00 N ATOM 279 CA THR A 577 7.109 -4.515 -4.661 1.00 0.00 C ATOM 280 C THR A 577 6.421 -4.968 -3.380 1.00 0.00 C ATOM 281 O THR A 577 6.908 -5.862 -2.687 1.00 0.00 O ATOM 282 CB THR A 577 7.230 -5.717 -5.618 1.00 0.00 C ATOM 283 OG1 THR A 577 8.066 -5.377 -6.731 1.00 0.00 O ATOM 284 CG2 THR A 577 5.861 -6.149 -6.122 1.00 0.00 C ATOM 0 H THR A 577 9.097 -4.599 -4.007 1.00 0.00 H new ATOM 0 HA THR A 577 6.514 -3.740 -5.144 1.00 0.00 H new ATOM 0 HB THR A 577 7.676 -6.545 -5.068 1.00 0.00 H new ATOM 0 HG1 THR A 577 9.006 -5.419 -6.459 1.00 0.00 H new ATOM 0 HG21 THR A 577 5.973 -6.999 -6.796 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.236 -6.436 -5.276 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.392 -5.322 -6.656 1.00 0.00 H new ATOM 292 N LEU A 578 5.291 -4.345 -3.064 1.00 0.00 N ATOM 293 CA LEU A 578 4.545 -4.686 -1.859 1.00 0.00 C ATOM 294 C LEU A 578 3.315 -5.522 -2.191 1.00 0.00 C ATOM 295 O LEU A 578 2.802 -5.477 -3.309 1.00 0.00 O ATOM 296 CB LEU A 578 4.123 -3.417 -1.116 1.00 0.00 C ATOM 297 CG LEU A 578 5.239 -2.704 -0.351 1.00 0.00 C ATOM 298 CD1 LEU A 578 4.754 -1.360 0.164 1.00 0.00 C ATOM 299 CD2 LEU A 578 5.735 -3.564 0.802 1.00 0.00 C ATOM 0 H LEU A 578 4.872 -3.603 -3.624 1.00 0.00 H new ATOM 0 HA LEU A 578 5.200 -5.276 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 578 3.696 -2.719 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 578 3.331 -3.674 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 578 6.070 -2.536 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.560 -0.866 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 578 4.447 -0.738 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 578 3.906 -1.511 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 578 6.529 -3.038 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.911 -3.765 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 578 6.121 -4.506 0.413 1.00 0.00 H new ATOM 311 N SER A 579 2.848 -6.279 -1.205 1.00 0.00 N ATOM 312 CA SER A 579 1.675 -7.127 -1.369 1.00 0.00 C ATOM 313 C SER A 579 0.878 -7.174 -0.069 1.00 0.00 C ATOM 314 O SER A 579 1.454 -7.247 1.017 1.00 0.00 O ATOM 315 CB SER A 579 2.090 -8.539 -1.786 1.00 0.00 C ATOM 316 OG SER A 579 2.125 -9.412 -0.670 1.00 0.00 O ATOM 0 H SER A 579 3.268 -6.322 -0.277 1.00 0.00 H new ATOM 0 HA SER A 579 1.047 -6.706 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 579 1.391 -8.922 -2.529 1.00 0.00 H new ATOM 0 HB3 SER A 579 3.072 -8.508 -2.258 1.00 0.00 H new ATOM 0 HG SER A 579 2.391 -10.308 -0.964 1.00 0.00 H new ATOM 322 N TRP A 580 -0.444 -7.118 -0.178 1.00 0.00 N ATOM 323 CA TRP A 580 -1.305 -7.141 1.000 1.00 0.00 C ATOM 324 C TRP A 580 -2.600 -7.897 0.731 1.00 0.00 C ATOM 325 O TRP A 580 -2.910 -8.237 -0.412 1.00 0.00 O ATOM 326 CB TRP A 580 -1.623 -5.714 1.443 1.00 0.00 C ATOM 327 CG TRP A 580 -2.243 -4.888 0.358 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.574 -4.670 0.151 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.553 -4.177 -0.675 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.755 -3.867 -0.948 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.528 -3.550 -1.473 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.205 -4.009 -1.002 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.197 -2.768 -2.576 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.123 -3.232 -2.097 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.870 -2.621 -2.874 1.00 0.00 C ATOM 0 H TRP A 580 -0.942 -7.057 -1.066 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.769 -7.660 1.794 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.299 -5.747 2.298 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.706 -5.231 1.780 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.369 -5.071 0.762 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.655 -3.557 -1.314 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.567 -4.478 -0.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -2.961 -2.294 -3.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.162 -3.094 -2.358 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.582 -2.022 -3.725 1.00 0.00 H new ATOM 346 N THR A 581 -3.354 -8.154 1.796 1.00 0.00 N ATOM 347 CA THR A 581 -4.620 -8.868 1.689 1.00 0.00 C ATOM 348 C THR A 581 -5.739 -7.938 1.236 1.00 0.00 C ATOM 349 O THR A 581 -5.969 -6.889 1.837 1.00 0.00 O ATOM 350 CB THR A 581 -5.017 -9.511 3.030 1.00 0.00 C ATOM 351 OG1 THR A 581 -3.844 -9.929 3.740 1.00 0.00 O ATOM 352 CG2 THR A 581 -5.933 -10.705 2.809 1.00 0.00 C ATOM 0 H THR A 581 -3.108 -7.877 2.746 1.00 0.00 H new ATOM 0 HA THR A 581 -4.478 -9.652 0.945 1.00 0.00 H new ATOM 0 HB THR A 581 -5.553 -8.766 3.619 1.00 0.00 H new ATOM 0 HG1 THR A 581 -3.563 -9.219 4.354 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.200 -11.142 3.771 1.00 0.00 H new ATOM 0 HG22 THR A 581 -6.838 -10.379 2.295 1.00 0.00 H new ATOM 0 HG23 THR A 581 -5.419 -11.450 2.202 1.00 0.00 H new ATOM 360 N ALA A 582 -6.434 -8.334 0.174 1.00 0.00 N ATOM 361 CA ALA A 582 -7.532 -7.538 -0.359 1.00 0.00 C ATOM 362 C ALA A 582 -8.626 -7.352 0.686 1.00 0.00 C ATOM 363 O ALA A 582 -8.673 -8.071 1.686 1.00 0.00 O ATOM 364 CB ALA A 582 -8.096 -8.191 -1.611 1.00 0.00 C ATOM 0 H ALA A 582 -6.256 -9.201 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.145 -6.553 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -8.916 -7.586 -1.999 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -7.313 -8.268 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.464 -9.188 -1.367 1.00 0.00 H new ATOM 370 N SER A 583 -9.503 -6.382 0.452 1.00 0.00 N ATOM 371 CA SER A 583 -10.596 -6.100 1.374 1.00 0.00 C ATOM 372 C SER A 583 -11.819 -6.949 1.045 1.00 0.00 C ATOM 373 O SER A 583 -12.224 -7.051 -0.113 1.00 0.00 O ATOM 374 CB SER A 583 -10.961 -4.614 1.325 1.00 0.00 C ATOM 375 OG SER A 583 -12.320 -4.409 1.668 1.00 0.00 O ATOM 0 H SER A 583 -9.478 -5.777 -0.369 1.00 0.00 H new ATOM 0 HA SER A 583 -10.264 -6.352 2.381 1.00 0.00 H new ATOM 0 HB2 SER A 583 -10.322 -4.057 2.010 1.00 0.00 H new ATOM 0 HB3 SER A 583 -10.773 -4.223 0.325 1.00 0.00 H new ATOM 0 HG SER A 583 -12.704 -3.720 1.086 1.00 0.00 H new ATOM 381 N THR A 584 -12.402 -7.557 2.074 1.00 0.00 N ATOM 382 CA THR A 584 -13.579 -8.398 1.900 1.00 0.00 C ATOM 383 C THR A 584 -14.794 -7.569 1.498 1.00 0.00 C ATOM 384 O THR A 584 -15.846 -8.113 1.162 1.00 0.00 O ATOM 385 CB THR A 584 -13.908 -9.175 3.188 1.00 0.00 C ATOM 386 OG1 THR A 584 -13.418 -8.459 4.329 1.00 0.00 O ATOM 387 CG2 THR A 584 -13.294 -10.566 3.155 1.00 0.00 C ATOM 0 H THR A 584 -12.077 -7.482 3.038 1.00 0.00 H new ATOM 0 HA THR A 584 -13.346 -9.106 1.105 1.00 0.00 H new ATOM 0 HB THR A 584 -14.991 -9.276 3.258 1.00 0.00 H new ATOM 0 HG1 THR A 584 -13.632 -8.958 5.145 1.00 0.00 H new ATOM 0 HG21 THR A 584 -13.541 -11.095 4.076 1.00 0.00 H new ATOM 0 HG22 THR A 584 -13.690 -11.118 2.302 1.00 0.00 H new ATOM 0 HG23 THR A 584 -12.211 -10.484 3.063 1.00 0.00 H new ATOM 395 N ASP A 585 -14.643 -6.249 1.537 1.00 0.00 N ATOM 396 CA ASP A 585 -15.728 -5.343 1.180 1.00 0.00 C ATOM 397 C ASP A 585 -15.555 -4.818 -0.242 1.00 0.00 C ATOM 398 O ASP A 585 -15.535 -3.607 -0.469 1.00 0.00 O ATOM 399 CB ASP A 585 -15.791 -4.176 2.167 1.00 0.00 C ATOM 400 CG ASP A 585 -16.338 -4.589 3.519 1.00 0.00 C ATOM 401 OD1 ASP A 585 -15.916 -5.647 4.032 1.00 0.00 O ATOM 402 OD2 ASP A 585 -17.187 -3.856 4.067 1.00 0.00 O ATOM 0 H ASP A 585 -13.779 -5.783 1.813 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.664 -5.900 1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -14.792 -3.758 2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -16.416 -3.386 1.751 1.00 0.00 H new ATOM 407 N ASN A 586 -15.431 -5.735 -1.196 1.00 0.00 N ATOM 408 CA ASN A 586 -15.263 -5.363 -2.596 1.00 0.00 C ATOM 409 C ASN A 586 -16.563 -4.789 -3.162 1.00 0.00 C ATOM 410 O ASN A 586 -17.218 -3.973 -2.513 1.00 0.00 O ATOM 411 CB ASN A 586 -14.807 -6.568 -3.412 1.00 0.00 C ATOM 412 CG ASN A 586 -14.002 -6.169 -4.634 1.00 0.00 C ATOM 413 OD1 ASN A 586 -14.559 -5.810 -5.671 1.00 0.00 O ATOM 414 ND2 ASN A 586 -12.682 -6.230 -4.516 1.00 0.00 N ATOM 0 H ASN A 586 -15.444 -6.741 -1.025 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.496 -4.591 -2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -14.205 -7.223 -2.782 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -15.679 -7.141 -3.726 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -12.087 -5.974 -5.304 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -12.262 -6.533 -3.637 1.00 0.00 H new ATOM 421 N VAL A 587 -16.934 -5.215 -4.372 1.00 0.00 N ATOM 422 CA VAL A 587 -18.156 -4.734 -5.014 1.00 0.00 C ATOM 423 C VAL A 587 -18.191 -3.208 -5.042 1.00 0.00 C ATOM 424 O VAL A 587 -19.252 -2.598 -5.182 1.00 0.00 O ATOM 425 CB VAL A 587 -19.419 -5.262 -4.303 1.00 0.00 C ATOM 426 CG1 VAL A 587 -20.607 -5.260 -5.253 1.00 0.00 C ATOM 427 CG2 VAL A 587 -19.182 -6.659 -3.745 1.00 0.00 C ATOM 0 H VAL A 587 -16.406 -5.891 -4.924 1.00 0.00 H new ATOM 0 HA VAL A 587 -18.149 -5.114 -6.036 1.00 0.00 H new ATOM 0 HB VAL A 587 -19.643 -4.597 -3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -21.489 -5.636 -4.734 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -20.795 -4.243 -5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -20.390 -5.900 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -20.086 -7.011 -3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -18.928 -7.338 -4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -18.362 -6.630 -3.028 1.00 0.00 H new ATOM 437 N GLY A 588 -17.017 -2.601 -4.907 1.00 0.00 N ATOM 438 CA GLY A 588 -16.911 -1.156 -4.915 1.00 0.00 C ATOM 439 C GLY A 588 -15.469 -0.697 -4.964 1.00 0.00 C ATOM 440 O GLY A 588 -15.155 0.333 -5.560 1.00 0.00 O ATOM 0 H GLY A 588 -16.130 -3.091 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.449 -0.757 -5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.391 -0.752 -4.024 1.00 0.00 H new ATOM 444 N VAL A 589 -14.589 -1.478 -4.342 1.00 0.00 N ATOM 445 CA VAL A 589 -13.166 -1.166 -4.318 1.00 0.00 C ATOM 446 C VAL A 589 -12.581 -1.240 -5.725 1.00 0.00 C ATOM 447 O VAL A 589 -12.600 -2.294 -6.360 1.00 0.00 O ATOM 448 CB VAL A 589 -12.402 -2.133 -3.392 1.00 0.00 C ATOM 449 CG1 VAL A 589 -10.924 -1.774 -3.336 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.011 -2.128 -1.999 1.00 0.00 C ATOM 0 H VAL A 589 -14.840 -2.334 -3.847 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.055 -0.152 -3.933 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.489 -3.139 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.405 -2.470 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.497 -1.835 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -10.810 -0.759 -2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.459 -2.816 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -12.958 -1.122 -1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.053 -2.442 -2.056 1.00 0.00 H new ATOM 460 N THR A 590 -12.080 -0.110 -6.218 1.00 0.00 N ATOM 461 CA THR A 590 -11.512 -0.052 -7.562 1.00 0.00 C ATOM 462 C THR A 590 -9.986 -0.095 -7.545 1.00 0.00 C ATOM 463 O THR A 590 -9.368 -0.674 -8.441 1.00 0.00 O ATOM 464 CB THR A 590 -11.973 1.214 -8.310 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.371 1.262 -9.609 1.00 0.00 O ATOM 466 CG2 THR A 590 -11.609 2.470 -7.532 1.00 0.00 C ATOM 0 H THR A 590 -12.056 0.774 -5.710 1.00 0.00 H new ATOM 0 HA THR A 590 -11.877 -0.936 -8.085 1.00 0.00 H new ATOM 0 HB THR A 590 -13.057 1.172 -8.412 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.670 2.069 -10.079 1.00 0.00 H new ATOM 0 HG21 THR A 590 -11.946 3.349 -8.082 1.00 0.00 H new ATOM 0 HG22 THR A 590 -12.092 2.446 -6.555 1.00 0.00 H new ATOM 0 HG23 THR A 590 -10.528 2.516 -7.401 1.00 0.00 H new ATOM 474 N GLY A 591 -9.376 0.521 -6.536 1.00 0.00 N ATOM 475 CA GLY A 591 -7.924 0.531 -6.455 1.00 0.00 C ATOM 476 C GLY A 591 -7.405 0.781 -5.052 1.00 0.00 C ATOM 477 O GLY A 591 -8.182 0.980 -4.118 1.00 0.00 O ATOM 0 H GLY A 591 -9.855 1.009 -5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.540 -0.425 -6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.535 1.300 -7.122 1.00 0.00 H new ATOM 481 N TYR A 592 -6.082 0.769 -4.911 1.00 0.00 N ATOM 482 CA TYR A 592 -5.440 0.994 -3.621 1.00 0.00 C ATOM 483 C TYR A 592 -4.433 2.140 -3.707 1.00 0.00 C ATOM 484 O TYR A 592 -3.905 2.435 -4.779 1.00 0.00 O ATOM 485 CB TYR A 592 -4.734 -0.281 -3.155 1.00 0.00 C ATOM 486 CG TYR A 592 -5.678 -1.410 -2.806 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.151 -2.273 -3.787 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.099 -1.610 -1.497 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.016 -3.305 -3.471 1.00 0.00 C ATOM 490 CE2 TYR A 592 -6.963 -2.641 -1.175 1.00 0.00 C ATOM 491 CZ TYR A 592 -7.413 -3.489 -2.166 1.00 0.00 C ATOM 492 OH TYR A 592 -8.278 -4.511 -1.850 1.00 0.00 O ATOM 0 H TYR A 592 -5.432 0.605 -5.679 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.211 1.263 -2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.056 -0.617 -3.939 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.123 -0.048 -2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -5.838 -2.136 -4.812 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -5.746 -0.950 -0.719 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -7.379 -3.964 -4.246 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -7.284 -2.781 -0.153 1.00 0.00 H new ATOM 0 HH TYR A 592 -8.149 -5.254 -2.475 1.00 0.00 H new ATOM 502 N ASP A 593 -4.169 2.776 -2.569 1.00 0.00 N ATOM 503 CA ASP A 593 -3.220 3.886 -2.505 1.00 0.00 C ATOM 504 C ASP A 593 -2.242 3.684 -1.353 1.00 0.00 C ATOM 505 O ASP A 593 -2.645 3.631 -0.191 1.00 0.00 O ATOM 506 CB ASP A 593 -3.960 5.214 -2.329 1.00 0.00 C ATOM 507 CG ASP A 593 -4.493 5.761 -3.638 1.00 0.00 C ATOM 508 OD1 ASP A 593 -4.935 4.954 -4.483 1.00 0.00 O ATOM 509 OD2 ASP A 593 -4.468 6.997 -3.821 1.00 0.00 O ATOM 0 H ASP A 593 -4.600 2.541 -1.675 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.663 3.913 -3.442 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -4.788 5.075 -1.633 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.286 5.945 -1.881 1.00 0.00 H new ATOM 514 N VAL A 594 -0.959 3.563 -1.677 1.00 0.00 N ATOM 515 CA VAL A 594 0.063 3.357 -0.657 1.00 0.00 C ATOM 516 C VAL A 594 0.781 4.662 -0.320 1.00 0.00 C ATOM 517 O VAL A 594 1.007 5.502 -1.190 1.00 0.00 O ATOM 518 CB VAL A 594 1.085 2.281 -1.092 1.00 0.00 C ATOM 519 CG1 VAL A 594 1.087 2.130 -2.601 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.485 2.595 -0.580 1.00 0.00 C ATOM 0 H VAL A 594 -0.603 3.604 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.445 3.003 0.240 1.00 0.00 H new ATOM 0 HB VAL A 594 0.779 1.334 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.812 1.369 -2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 594 0.094 1.832 -2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.356 3.081 -3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 594 3.175 1.816 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.810 3.557 -0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.473 2.637 0.509 1.00 0.00 H new ATOM 530 N TYR A 595 1.127 4.823 0.955 1.00 0.00 N ATOM 531 CA TYR A 595 1.811 6.022 1.426 1.00 0.00 C ATOM 532 C TYR A 595 3.265 5.730 1.786 1.00 0.00 C ATOM 533 O TYR A 595 3.625 4.595 2.102 1.00 0.00 O ATOM 534 CB TYR A 595 1.088 6.591 2.649 1.00 0.00 C ATOM 535 CG TYR A 595 -0.276 7.171 2.345 1.00 0.00 C ATOM 536 CD1 TYR A 595 -0.412 8.492 1.938 1.00 0.00 C ATOM 537 CD2 TYR A 595 -1.428 6.401 2.470 1.00 0.00 C ATOM 538 CE1 TYR A 595 -1.655 9.031 1.666 1.00 0.00 C ATOM 539 CE2 TYR A 595 -2.675 6.933 2.198 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.783 8.248 1.797 1.00 0.00 C ATOM 541 OH TYR A 595 -4.021 8.782 1.526 1.00 0.00 O ATOM 0 H TYR A 595 0.943 4.133 1.683 1.00 0.00 H new ATOM 0 HA TYR A 595 1.798 6.752 0.616 1.00 0.00 H new ATOM 0 HB2 TYR A 595 0.978 5.802 3.393 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.709 7.367 3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 595 0.469 9.108 1.832 1.00 0.00 H new ATOM 0 HD2 TYR A 595 -1.347 5.371 2.785 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -1.743 10.061 1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -3.560 6.322 2.299 1.00 0.00 H new ATOM 0 HH TYR A 595 -4.710 8.099 1.666 1.00 0.00 H new ATOM 551 N ASN A 596 4.092 6.772 1.748 1.00 0.00 N ATOM 552 CA ASN A 596 5.506 6.655 2.080 1.00 0.00 C ATOM 553 C ASN A 596 5.836 7.526 3.288 1.00 0.00 C ATOM 554 O ASN A 596 6.288 8.663 3.140 1.00 0.00 O ATOM 555 CB ASN A 596 6.368 7.075 0.887 1.00 0.00 C ATOM 556 CG ASN A 596 5.786 8.255 0.134 1.00 0.00 C ATOM 557 OD1 ASN A 596 4.680 8.184 -0.398 1.00 0.00 O ATOM 558 ND2 ASN A 596 6.533 9.352 0.085 1.00 0.00 N ATOM 0 H ASN A 596 3.802 7.715 1.488 1.00 0.00 H new ATOM 0 HA ASN A 596 5.721 5.614 2.322 1.00 0.00 H new ATOM 0 HB2 ASN A 596 7.368 7.330 1.238 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.475 6.231 0.206 1.00 0.00 H new ATOM 0 HD21 ASN A 596 6.194 10.178 -0.408 1.00 0.00 H new ATOM 0 HD22 ASN A 596 7.446 9.368 0.540 1.00 0.00 H new ATOM 565 N GLY A 597 5.601 6.991 4.481 1.00 0.00 N ATOM 566 CA GLY A 597 5.872 7.738 5.695 1.00 0.00 C ATOM 567 C GLY A 597 4.752 8.705 6.036 1.00 0.00 C ATOM 568 O GLY A 597 4.246 8.707 7.159 1.00 0.00 O ATOM 0 H GLY A 597 5.228 6.053 4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.014 7.043 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 597 6.804 8.291 5.579 1.00 0.00 H new ATOM 572 N THR A 598 4.365 9.523 5.061 1.00 0.00 N ATOM 573 CA THR A 598 3.298 10.499 5.253 1.00 0.00 C ATOM 574 C THR A 598 2.637 10.860 3.925 1.00 0.00 C ATOM 575 O THR A 598 1.412 10.951 3.833 1.00 0.00 O ATOM 576 CB THR A 598 3.822 11.788 5.911 1.00 0.00 C ATOM 577 OG1 THR A 598 5.188 12.008 5.541 1.00 0.00 O ATOM 578 CG2 THR A 598 3.706 11.710 7.426 1.00 0.00 C ATOM 0 H THR A 598 4.776 9.529 4.128 1.00 0.00 H new ATOM 0 HA THR A 598 2.565 10.034 5.912 1.00 0.00 H new ATOM 0 HB THR A 598 3.213 12.621 5.560 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.513 12.831 5.963 1.00 0.00 H new ATOM 0 HG21 THR A 598 4.083 12.633 7.868 1.00 0.00 H new ATOM 0 HG22 THR A 598 2.661 11.575 7.704 1.00 0.00 H new ATOM 0 HG23 THR A 598 4.291 10.867 7.793 1.00 0.00 H new ATOM 586 N ALA A 599 3.459 11.068 2.902 1.00 0.00 N ATOM 587 CA ALA A 599 2.964 11.423 1.574 1.00 0.00 C ATOM 588 C ALA A 599 2.473 10.190 0.822 1.00 0.00 C ATOM 589 O ALA A 599 2.658 9.065 1.277 1.00 0.00 O ATOM 590 CB ALA A 599 4.061 12.114 0.780 1.00 0.00 C ATOM 0 H ALA A 599 4.474 10.997 2.966 1.00 0.00 H new ATOM 0 HA ALA A 599 2.121 12.104 1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 599 3.685 12.376 -0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 599 4.372 13.019 1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 599 4.914 11.443 0.678 1.00 0.00 H new ATOM 596 N LEU A 600 1.856 10.409 -0.336 1.00 0.00 N ATOM 597 CA LEU A 600 1.358 9.306 -1.153 1.00 0.00 C ATOM 598 C LEU A 600 2.427 8.856 -2.144 1.00 0.00 C ATOM 599 O LEU A 600 2.971 9.668 -2.892 1.00 0.00 O ATOM 600 CB LEU A 600 0.091 9.717 -1.907 1.00 0.00 C ATOM 601 CG LEU A 600 -0.511 8.627 -2.800 1.00 0.00 C ATOM 602 CD1 LEU A 600 -1.758 8.035 -2.159 1.00 0.00 C ATOM 603 CD2 LEU A 600 -0.830 9.182 -4.180 1.00 0.00 C ATOM 0 H LEU A 600 1.689 11.336 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 600 1.114 8.476 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.661 10.028 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.319 10.587 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 600 0.226 7.831 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -2.170 7.263 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -1.499 7.597 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 600 -2.500 8.820 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -1.257 8.393 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -1.547 9.998 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 600 0.084 9.553 -4.643 1.00 0.00 H new ATOM 615 N ALA A 601 2.727 7.561 -2.146 1.00 0.00 N ATOM 616 CA ALA A 601 3.732 7.019 -3.047 1.00 0.00 C ATOM 617 C ALA A 601 3.108 6.621 -4.380 1.00 0.00 C ATOM 618 O ALA A 601 2.745 7.481 -5.184 1.00 0.00 O ATOM 619 CB ALA A 601 4.437 5.835 -2.399 1.00 0.00 C ATOM 0 H ALA A 601 2.289 6.871 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 601 4.473 7.793 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.187 5.439 -3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 601 4.922 6.160 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 601 3.708 5.058 -2.170 1.00 0.00 H new ATOM 625 N THR A 602 2.982 5.318 -4.613 1.00 0.00 N ATOM 626 CA THR A 602 2.398 4.824 -5.853 1.00 0.00 C ATOM 627 C THR A 602 0.893 4.616 -5.718 1.00 0.00 C ATOM 628 O THR A 602 0.349 4.581 -4.611 1.00 0.00 O ATOM 629 CB THR A 602 3.058 3.508 -6.313 1.00 0.00 C ATOM 630 OG1 THR A 602 2.339 2.961 -7.425 1.00 0.00 O ATOM 631 CG2 THR A 602 3.099 2.492 -5.184 1.00 0.00 C ATOM 0 H THR A 602 3.275 4.589 -3.962 1.00 0.00 H new ATOM 0 HA THR A 602 2.584 5.589 -6.607 1.00 0.00 H new ATOM 0 HB THR A 602 4.082 3.732 -6.614 1.00 0.00 H new ATOM 0 HG1 THR A 602 2.766 2.127 -7.712 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.569 1.574 -5.537 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.673 2.897 -4.351 1.00 0.00 H new ATOM 0 HG23 THR A 602 2.083 2.275 -4.853 1.00 0.00 H new ATOM 639 N THR A 603 0.231 4.471 -6.861 1.00 0.00 N ATOM 640 CA THR A 603 -1.210 4.258 -6.902 1.00 0.00 C ATOM 641 C THR A 603 -1.545 3.083 -7.808 1.00 0.00 C ATOM 642 O THR A 603 -1.446 3.182 -9.031 1.00 0.00 O ATOM 643 CB THR A 603 -1.950 5.511 -7.406 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.071 6.311 -8.205 1.00 0.00 O ATOM 645 CG2 THR A 603 -2.474 6.335 -6.240 1.00 0.00 C ATOM 0 H THR A 603 0.675 4.498 -7.779 1.00 0.00 H new ATOM 0 HA THR A 603 -1.538 4.045 -5.884 1.00 0.00 H new ATOM 0 HB THR A 603 -2.797 5.187 -8.011 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.550 7.105 -8.523 1.00 0.00 H new ATOM 0 HG21 THR A 603 -2.993 7.215 -6.620 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.165 5.733 -5.650 1.00 0.00 H new ATOM 0 HG23 THR A 603 -1.640 6.649 -5.612 1.00 0.00 H new ATOM 653 N VAL A 604 -1.928 1.967 -7.202 1.00 0.00 N ATOM 654 CA VAL A 604 -2.260 0.766 -7.955 1.00 0.00 C ATOM 655 C VAL A 604 -3.749 0.450 -7.881 1.00 0.00 C ATOM 656 O VAL A 604 -4.525 1.197 -7.288 1.00 0.00 O ATOM 657 CB VAL A 604 -1.459 -0.444 -7.442 1.00 0.00 C ATOM 658 CG1 VAL A 604 0.032 -0.202 -7.616 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.794 -0.728 -5.983 1.00 0.00 C ATOM 0 H VAL A 604 -2.016 1.869 -6.191 1.00 0.00 H new ATOM 0 HA VAL A 604 -1.996 0.961 -8.994 1.00 0.00 H new ATOM 0 HB VAL A 604 -1.736 -1.319 -8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.586 -1.066 -7.249 1.00 0.00 H new ATOM 0 HG12 VAL A 604 0.255 -0.050 -8.672 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.325 0.683 -7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.218 -1.587 -5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.546 0.143 -5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.858 -0.944 -5.889 1.00 0.00 H new ATOM 669 N THR A 605 -4.136 -0.667 -8.491 1.00 0.00 N ATOM 670 CA THR A 605 -5.529 -1.096 -8.501 1.00 0.00 C ATOM 671 C THR A 605 -5.635 -2.597 -8.254 1.00 0.00 C ATOM 672 O THR A 605 -6.688 -3.100 -7.864 1.00 0.00 O ATOM 673 CB THR A 605 -6.215 -0.760 -9.839 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.531 -1.409 -10.918 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.235 0.742 -10.077 1.00 0.00 C ATOM 0 H THR A 605 -3.501 -1.293 -8.986 1.00 0.00 H new ATOM 0 HA THR A 605 -6.034 -0.556 -7.700 1.00 0.00 H new ATOM 0 HB THR A 605 -7.243 -1.118 -9.793 1.00 0.00 H new ATOM 0 HG1 THR A 605 -5.975 -1.192 -11.764 1.00 0.00 H new ATOM 0 HG21 THR A 605 -6.724 0.953 -11.028 1.00 0.00 H new ATOM 0 HG22 THR A 605 -6.782 1.231 -9.271 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.213 1.120 -10.103 1.00 0.00 H new ATOM 683 N GLY A 606 -4.534 -3.306 -8.486 1.00 0.00 N ATOM 684 CA GLY A 606 -4.518 -4.745 -8.287 1.00 0.00 C ATOM 685 C GLY A 606 -4.322 -5.133 -6.835 1.00 0.00 C ATOM 686 O GLY A 606 -5.168 -4.840 -5.989 1.00 0.00 O ATOM 0 H GLY A 606 -3.651 -2.909 -8.809 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.455 -5.168 -8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -3.719 -5.182 -8.886 1.00 0.00 H new ATOM 690 N THR A 607 -3.206 -5.799 -6.545 1.00 0.00 N ATOM 691 CA THR A 607 -2.907 -6.234 -5.186 1.00 0.00 C ATOM 692 C THR A 607 -1.467 -5.909 -4.794 1.00 0.00 C ATOM 693 O THR A 607 -1.066 -6.122 -3.650 1.00 0.00 O ATOM 694 CB THR A 607 -3.137 -7.744 -5.019 1.00 0.00 C ATOM 695 OG1 THR A 607 -3.790 -8.275 -6.178 1.00 0.00 O ATOM 696 CG2 THR A 607 -3.975 -8.030 -3.782 1.00 0.00 C ATOM 0 H THR A 607 -2.496 -6.048 -7.233 1.00 0.00 H new ATOM 0 HA THR A 607 -3.587 -5.689 -4.531 1.00 0.00 H new ATOM 0 HB THR A 607 -2.166 -8.224 -4.900 1.00 0.00 H new ATOM 0 HG1 THR A 607 -3.930 -9.238 -6.062 1.00 0.00 H new ATOM 0 HG21 THR A 607 -4.125 -9.105 -3.685 1.00 0.00 H new ATOM 0 HG22 THR A 607 -3.459 -7.654 -2.898 1.00 0.00 H new ATOM 0 HG23 THR A 607 -4.942 -7.536 -3.876 1.00 0.00 H new ATOM 704 N THR A 608 -0.696 -5.397 -5.747 1.00 0.00 N ATOM 705 CA THR A 608 0.699 -5.049 -5.494 1.00 0.00 C ATOM 706 C THR A 608 0.963 -3.576 -5.792 1.00 0.00 C ATOM 707 O THR A 608 0.236 -2.953 -6.562 1.00 0.00 O ATOM 708 CB THR A 608 1.657 -5.909 -6.342 1.00 0.00 C ATOM 709 OG1 THR A 608 1.838 -5.313 -7.633 1.00 0.00 O ATOM 710 CG2 THR A 608 1.120 -7.324 -6.503 1.00 0.00 C ATOM 0 H THR A 608 -1.011 -5.214 -6.700 1.00 0.00 H new ATOM 0 HA THR A 608 0.884 -5.243 -4.438 1.00 0.00 H new ATOM 0 HB THR A 608 2.616 -5.959 -5.826 1.00 0.00 H new ATOM 0 HG1 THR A 608 2.449 -5.864 -8.165 1.00 0.00 H new ATOM 0 HG21 THR A 608 1.814 -7.910 -7.105 1.00 0.00 H new ATOM 0 HG22 THR A 608 1.011 -7.786 -5.522 1.00 0.00 H new ATOM 0 HG23 THR A 608 0.149 -7.291 -6.998 1.00 0.00 H new ATOM 718 N ALA A 609 2.008 -3.029 -5.177 1.00 0.00 N ATOM 719 CA ALA A 609 2.373 -1.629 -5.374 1.00 0.00 C ATOM 720 C ALA A 609 3.875 -1.481 -5.598 1.00 0.00 C ATOM 721 O ALA A 609 4.680 -2.008 -4.832 1.00 0.00 O ATOM 722 CB ALA A 609 1.932 -0.800 -4.177 1.00 0.00 C ATOM 0 H ALA A 609 2.619 -3.536 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 609 1.862 -1.265 -6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.209 0.242 -4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.851 -0.875 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.420 -1.173 -3.276 1.00 0.00 H new ATOM 728 N THR A 610 4.245 -0.763 -6.656 1.00 0.00 N ATOM 729 CA THR A 610 5.652 -0.551 -6.979 1.00 0.00 C ATOM 730 C THR A 610 6.061 0.899 -6.737 1.00 0.00 C ATOM 731 O THR A 610 5.439 1.825 -7.259 1.00 0.00 O ATOM 732 CB THR A 610 5.953 -0.919 -8.444 1.00 0.00 C ATOM 733 OG1 THR A 610 5.489 -2.247 -8.723 1.00 0.00 O ATOM 734 CG2 THR A 610 7.445 -0.830 -8.730 1.00 0.00 C ATOM 0 H THR A 610 3.592 -0.320 -7.302 1.00 0.00 H new ATOM 0 HA THR A 610 6.228 -1.202 -6.322 1.00 0.00 H new ATOM 0 HB THR A 610 5.432 -0.209 -9.086 1.00 0.00 H new ATOM 0 HG1 THR A 610 5.683 -2.472 -9.657 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.632 -1.094 -9.771 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.791 0.187 -8.546 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.982 -1.519 -8.078 1.00 0.00 H new ATOM 742 N ILE A 611 7.111 1.087 -5.946 1.00 0.00 N ATOM 743 CA ILE A 611 7.608 2.423 -5.636 1.00 0.00 C ATOM 744 C ILE A 611 8.968 2.664 -6.286 1.00 0.00 C ATOM 745 O ILE A 611 9.842 1.797 -6.261 1.00 0.00 O ATOM 746 CB ILE A 611 7.724 2.636 -4.111 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.336 2.633 -3.470 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.450 3.938 -3.802 1.00 0.00 C ATOM 749 CD1 ILE A 611 6.027 1.370 -2.697 1.00 0.00 C ATOM 0 H ILE A 611 7.635 0.330 -5.507 1.00 0.00 H new ATOM 0 HA ILE A 611 6.888 3.136 -6.038 1.00 0.00 H new ATOM 0 HB ILE A 611 8.305 1.815 -3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 611 6.253 3.488 -2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.585 2.765 -4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.520 4.068 -2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.452 3.906 -4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.898 4.773 -4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 611 5.026 1.440 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.077 0.512 -3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.755 1.247 -1.895 1.00 0.00 H new ATOM 761 N SER A 612 9.138 3.848 -6.869 1.00 0.00 N ATOM 762 CA SER A 612 10.390 4.205 -7.528 1.00 0.00 C ATOM 763 C SER A 612 11.090 5.342 -6.789 1.00 0.00 C ATOM 764 O SER A 612 10.574 5.861 -5.799 1.00 0.00 O ATOM 765 CB SER A 612 10.129 4.612 -8.978 1.00 0.00 C ATOM 766 OG SER A 612 9.442 5.850 -9.044 1.00 0.00 O ATOM 0 H SER A 612 8.424 4.576 -6.898 1.00 0.00 H new ATOM 0 HA SER A 612 11.040 3.330 -7.513 1.00 0.00 H new ATOM 0 HB2 SER A 612 11.075 4.689 -9.514 1.00 0.00 H new ATOM 0 HB3 SER A 612 9.542 3.840 -9.476 1.00 0.00 H new ATOM 0 HG SER A 612 9.288 6.089 -9.982 1.00 0.00 H new ATOM 772 N GLY A 613 12.266 5.724 -7.279 1.00 0.00 N ATOM 773 CA GLY A 613 13.018 6.798 -6.653 1.00 0.00 C ATOM 774 C GLY A 613 13.460 6.451 -5.246 1.00 0.00 C ATOM 775 O GLY A 613 13.486 7.311 -4.365 1.00 0.00 O ATOM 0 H GLY A 613 12.712 5.310 -8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 613 13.894 7.026 -7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.405 7.699 -6.626 1.00 0.00 H new ATOM 779 N LEU A 614 13.806 5.186 -5.036 1.00 0.00 N ATOM 780 CA LEU A 614 14.248 4.718 -3.729 1.00 0.00 C ATOM 781 C LEU A 614 15.753 4.902 -3.563 1.00 0.00 C ATOM 782 O LEU A 614 16.416 5.485 -4.421 1.00 0.00 O ATOM 783 CB LEU A 614 13.880 3.242 -3.547 1.00 0.00 C ATOM 784 CG LEU A 614 12.927 2.932 -2.388 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.763 3.909 -2.371 1.00 0.00 C ATOM 786 CD2 LEU A 614 12.420 1.501 -2.491 1.00 0.00 C ATOM 0 H LEU A 614 13.789 4.465 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 614 13.743 5.312 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 614 13.427 2.883 -4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.798 2.673 -3.400 1.00 0.00 H new ATOM 0 HG LEU A 614 13.476 3.042 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 614 11.099 3.670 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 614 12.142 4.924 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 614 11.212 3.835 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 614 11.744 1.294 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 614 11.888 1.370 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 614 13.264 0.812 -2.452 1.00 0.00 H new ATOM 798 N ALA A 615 16.285 4.400 -2.454 1.00 0.00 N ATOM 799 CA ALA A 615 17.711 4.505 -2.172 1.00 0.00 C ATOM 800 C ALA A 615 18.202 3.288 -1.394 1.00 0.00 C ATOM 801 O ALA A 615 17.414 2.596 -0.748 1.00 0.00 O ATOM 802 CB ALA A 615 18.003 5.783 -1.401 1.00 0.00 C ATOM 0 H ALA A 615 15.748 3.915 -1.735 1.00 0.00 H new ATOM 0 HA ALA A 615 18.246 4.539 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.072 5.849 -1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 615 17.693 6.644 -1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.454 5.773 -0.459 1.00 0.00 H new ATOM 808 N ALA A 616 19.504 3.030 -1.462 1.00 0.00 N ATOM 809 CA ALA A 616 20.093 1.892 -0.766 1.00 0.00 C ATOM 810 C ALA A 616 20.513 2.269 0.652 1.00 0.00 C ATOM 811 O ALA A 616 20.738 3.442 0.952 1.00 0.00 O ATOM 812 CB ALA A 616 21.284 1.356 -1.546 1.00 0.00 C ATOM 0 H ALA A 616 20.170 3.593 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 616 19.336 1.111 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.714 0.507 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.957 1.037 -2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 616 22.035 2.139 -1.647 1.00 0.00 H new ATOM 818 N ASP A 617 20.617 1.262 1.518 1.00 0.00 N ATOM 819 CA ASP A 617 21.010 1.477 2.907 1.00 0.00 C ATOM 820 C ASP A 617 20.090 2.486 3.588 1.00 0.00 C ATOM 821 O ASP A 617 20.548 3.373 4.309 1.00 0.00 O ATOM 822 CB ASP A 617 22.461 1.959 2.981 1.00 0.00 C ATOM 823 CG ASP A 617 23.358 0.996 3.737 1.00 0.00 C ATOM 824 OD1 ASP A 617 22.914 -0.141 4.004 1.00 0.00 O ATOM 825 OD2 ASP A 617 24.501 1.378 4.063 1.00 0.00 O ATOM 0 H ASP A 617 20.434 0.287 1.280 1.00 0.00 H new ATOM 0 HA ASP A 617 20.923 0.526 3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.848 2.093 1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.492 2.935 3.466 1.00 0.00 H new ATOM 830 N THR A 618 18.790 2.349 3.349 1.00 0.00 N ATOM 831 CA THR A 618 17.806 3.250 3.934 1.00 0.00 C ATOM 832 C THR A 618 16.555 2.499 4.375 1.00 0.00 C ATOM 833 O THR A 618 16.126 1.549 3.721 1.00 0.00 O ATOM 834 CB THR A 618 17.399 4.352 2.939 1.00 0.00 C ATOM 835 OG1 THR A 618 18.566 4.922 2.334 1.00 0.00 O ATOM 836 CG2 THR A 618 16.596 5.443 3.634 1.00 0.00 C ATOM 0 H THR A 618 18.394 1.622 2.754 1.00 0.00 H new ATOM 0 HA THR A 618 18.277 3.704 4.806 1.00 0.00 H new ATOM 0 HB THR A 618 16.774 3.901 2.168 1.00 0.00 H new ATOM 0 HG1 THR A 618 19.034 4.235 1.815 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.321 6.210 2.910 1.00 0.00 H new ATOM 0 HG22 THR A 618 15.693 5.011 4.066 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.198 5.891 4.425 1.00 0.00 H new ATOM 844 N SER A 619 15.967 2.940 5.484 1.00 0.00 N ATOM 845 CA SER A 619 14.756 2.318 6.008 1.00 0.00 C ATOM 846 C SER A 619 13.521 2.998 5.430 1.00 0.00 C ATOM 847 O SER A 619 13.494 4.218 5.269 1.00 0.00 O ATOM 848 CB SER A 619 14.730 2.397 7.536 1.00 0.00 C ATOM 849 OG SER A 619 15.229 3.644 7.991 1.00 0.00 O ATOM 0 H SER A 619 16.310 3.726 6.037 1.00 0.00 H new ATOM 0 HA SER A 619 14.753 1.269 5.713 1.00 0.00 H new ATOM 0 HB2 SER A 619 13.710 2.258 7.893 1.00 0.00 H new ATOM 0 HB3 SER A 619 15.328 1.588 7.955 1.00 0.00 H new ATOM 0 HG SER A 619 15.200 3.670 8.970 1.00 0.00 H new ATOM 855 N TYR A 620 12.504 2.206 5.107 1.00 0.00 N ATOM 856 CA TYR A 620 11.276 2.745 4.536 1.00 0.00 C ATOM 857 C TYR A 620 10.036 2.138 5.188 1.00 0.00 C ATOM 858 O TYR A 620 9.845 0.922 5.170 1.00 0.00 O ATOM 859 CB TYR A 620 11.238 2.487 3.029 1.00 0.00 C ATOM 860 CG TYR A 620 12.222 3.322 2.241 1.00 0.00 C ATOM 861 CD1 TYR A 620 11.885 4.593 1.797 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.490 2.837 1.944 1.00 0.00 C ATOM 863 CE1 TYR A 620 12.785 5.360 1.079 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.395 3.598 1.227 1.00 0.00 C ATOM 865 CZ TYR A 620 14.030 4.854 0.784 1.00 0.00 C ATOM 866 OH TYR A 620 14.936 5.619 0.086 1.00 0.00 O ATOM 0 H TYR A 620 12.506 1.193 5.230 1.00 0.00 H new ATOM 0 HA TYR A 620 11.270 3.818 4.727 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.442 1.432 2.845 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.231 2.685 2.661 1.00 0.00 H new ATOM 0 HD1 TYR A 620 10.905 4.990 2.016 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.773 1.850 2.279 1.00 0.00 H new ATOM 0 HE1 TYR A 620 12.511 6.352 0.751 1.00 0.00 H new ATOM 0 HE2 TYR A 620 15.381 3.212 1.015 1.00 0.00 H new ATOM 0 HH TYR A 620 15.579 6.016 0.710 1.00 0.00 H new ATOM 876 N THR A 621 9.189 2.999 5.743 1.00 0.00 N ATOM 877 CA THR A 621 7.952 2.559 6.379 1.00 0.00 C ATOM 878 C THR A 621 6.769 2.831 5.457 1.00 0.00 C ATOM 879 O THR A 621 6.359 3.981 5.286 1.00 0.00 O ATOM 880 CB THR A 621 7.719 3.268 7.726 1.00 0.00 C ATOM 881 OG1 THR A 621 8.863 4.059 8.070 1.00 0.00 O ATOM 882 CG2 THR A 621 7.447 2.256 8.830 1.00 0.00 C ATOM 0 H THR A 621 9.337 4.008 5.765 1.00 0.00 H new ATOM 0 HA THR A 621 8.042 1.489 6.568 1.00 0.00 H new ATOM 0 HB THR A 621 6.848 3.915 7.624 1.00 0.00 H new ATOM 0 HG1 THR A 621 8.705 4.507 8.927 1.00 0.00 H new ATOM 0 HG21 THR A 621 7.285 2.780 9.772 1.00 0.00 H new ATOM 0 HG22 THR A 621 6.559 1.675 8.581 1.00 0.00 H new ATOM 0 HG23 THR A 621 8.302 1.587 8.929 1.00 0.00 H new ATOM 890 N PHE A 622 6.239 1.778 4.846 1.00 0.00 N ATOM 891 CA PHE A 622 5.122 1.921 3.919 1.00 0.00 C ATOM 892 C PHE A 622 3.785 1.572 4.561 1.00 0.00 C ATOM 893 O PHE A 622 3.719 1.146 5.714 1.00 0.00 O ATOM 894 CB PHE A 622 5.338 1.037 2.691 1.00 0.00 C ATOM 895 CG PHE A 622 6.497 1.465 1.837 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.429 2.628 1.086 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.653 0.703 1.782 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.491 3.023 0.298 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.719 1.094 0.995 1.00 0.00 C ATOM 900 CZ PHE A 622 8.638 2.255 0.251 1.00 0.00 C ATOM 0 H PHE A 622 6.563 0.819 4.975 1.00 0.00 H new ATOM 0 HA PHE A 622 5.088 2.970 3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.498 0.009 3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.431 1.042 2.086 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.534 3.232 1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.721 -0.206 2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.425 3.932 -0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.615 0.492 0.961 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.470 2.562 -0.366 1.00 0.00 H new ATOM 910 N THR A 623 2.725 1.758 3.781 1.00 0.00 N ATOM 911 CA THR A 623 1.363 1.475 4.212 1.00 0.00 C ATOM 912 C THR A 623 0.421 1.561 3.019 1.00 0.00 C ATOM 913 O THR A 623 0.724 2.237 2.037 1.00 0.00 O ATOM 914 CB THR A 623 0.890 2.458 5.298 1.00 0.00 C ATOM 915 OG1 THR A 623 1.705 3.636 5.286 1.00 0.00 O ATOM 916 CG2 THR A 623 0.942 1.814 6.676 1.00 0.00 C ATOM 0 H THR A 623 2.789 2.112 2.826 1.00 0.00 H new ATOM 0 HA THR A 623 1.353 0.470 4.634 1.00 0.00 H new ATOM 0 HB THR A 623 -0.143 2.730 5.081 1.00 0.00 H new ATOM 0 HG1 THR A 623 1.395 4.255 5.979 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.603 2.530 7.425 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.295 0.937 6.692 1.00 0.00 H new ATOM 0 HG23 THR A 623 1.966 1.513 6.899 1.00 0.00 H new ATOM 924 N VAL A 624 -0.713 0.876 3.092 1.00 0.00 N ATOM 925 CA VAL A 624 -1.673 0.895 1.994 1.00 0.00 C ATOM 926 C VAL A 624 -3.018 1.455 2.437 1.00 0.00 C ATOM 927 O VAL A 624 -3.329 1.487 3.628 1.00 0.00 O ATOM 928 CB VAL A 624 -1.880 -0.505 1.383 1.00 0.00 C ATOM 929 CG1 VAL A 624 -1.365 -0.541 -0.048 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.201 -1.575 2.225 1.00 0.00 C ATOM 0 H VAL A 624 -0.990 0.306 3.891 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.249 1.548 1.231 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.949 -0.716 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.519 -1.536 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.906 0.191 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 624 -0.301 -0.304 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.363 -2.553 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.131 -1.372 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -1.621 -1.568 3.231 1.00 0.00 H new ATOM 940 N LYS A 625 -3.804 1.907 1.468 1.00 0.00 N ATOM 941 CA LYS A 625 -5.114 2.479 1.744 1.00 0.00 C ATOM 942 C LYS A 625 -6.135 2.053 0.693 1.00 0.00 C ATOM 943 O LYS A 625 -6.032 2.428 -0.474 1.00 0.00 O ATOM 944 CB LYS A 625 -5.008 3.997 1.803 1.00 0.00 C ATOM 945 CG LYS A 625 -4.811 4.516 3.216 1.00 0.00 C ATOM 946 CD LYS A 625 -5.978 5.378 3.645 1.00 0.00 C ATOM 947 CE LYS A 625 -5.781 5.932 5.045 1.00 0.00 C ATOM 948 NZ LYS A 625 -6.641 7.120 5.301 1.00 0.00 N ATOM 0 H LYS A 625 -3.554 1.888 0.479 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.459 2.106 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.175 4.323 1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -5.912 4.437 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.702 3.677 3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -3.888 5.094 3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.100 6.202 2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -6.896 4.791 3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -6.007 5.156 5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -4.735 6.205 5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -6.475 7.467 6.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -6.408 7.870 4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -7.641 6.854 5.195 1.00 0.00 H new ATOM 962 N ALA A 626 -7.117 1.263 1.113 1.00 0.00 N ATOM 963 CA ALA A 626 -8.151 0.780 0.206 1.00 0.00 C ATOM 964 C ALA A 626 -9.214 1.843 -0.047 1.00 0.00 C ATOM 965 O ALA A 626 -9.887 2.294 0.879 1.00 0.00 O ATOM 966 CB ALA A 626 -8.791 -0.479 0.767 1.00 0.00 C ATOM 0 H ALA A 626 -7.219 0.944 2.076 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.678 0.549 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.562 -0.832 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.031 -1.251 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.240 -0.259 1.736 1.00 0.00 H new ATOM 972 N LYS A 627 -9.360 2.234 -1.310 1.00 0.00 N ATOM 973 CA LYS A 627 -10.343 3.241 -1.692 1.00 0.00 C ATOM 974 C LYS A 627 -11.375 2.654 -2.651 1.00 0.00 C ATOM 975 O LYS A 627 -11.181 1.568 -3.198 1.00 0.00 O ATOM 976 CB LYS A 627 -9.653 4.444 -2.342 1.00 0.00 C ATOM 977 CG LYS A 627 -8.350 4.095 -3.044 1.00 0.00 C ATOM 978 CD LYS A 627 -8.247 4.770 -4.404 1.00 0.00 C ATOM 979 CE LYS A 627 -8.016 6.269 -4.275 1.00 0.00 C ATOM 980 NZ LYS A 627 -7.298 6.618 -3.017 1.00 0.00 N ATOM 0 H LYS A 627 -8.809 1.868 -2.086 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.855 3.572 -0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.334 4.897 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -9.454 5.194 -1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.508 4.399 -2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -8.281 3.014 -3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -7.430 4.324 -4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -9.162 4.590 -4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -7.440 6.622 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -8.975 6.787 -4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -6.796 7.520 -3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -7.983 6.709 -2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -6.613 5.869 -2.789 1.00 0.00 H new ATOM 994 N ASP A 628 -12.470 3.381 -2.850 1.00 0.00 N ATOM 995 CA ASP A 628 -13.535 2.935 -3.742 1.00 0.00 C ATOM 996 C ASP A 628 -13.831 3.997 -4.799 1.00 0.00 C ATOM 997 O ASP A 628 -13.429 5.152 -4.661 1.00 0.00 O ATOM 998 CB ASP A 628 -14.800 2.615 -2.937 1.00 0.00 C ATOM 999 CG ASP A 628 -15.957 3.542 -3.262 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -15.979 4.673 -2.733 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -16.841 3.135 -4.045 1.00 0.00 O ATOM 0 H ASP A 628 -12.643 4.282 -2.405 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.205 2.029 -4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.099 1.586 -3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -14.574 2.683 -1.873 1.00 0.00 H new ATOM 1006 N ALA A 629 -14.536 3.596 -5.853 1.00 0.00 N ATOM 1007 CA ALA A 629 -14.886 4.514 -6.931 1.00 0.00 C ATOM 1008 C ALA A 629 -16.155 5.293 -6.597 1.00 0.00 C ATOM 1009 O ALA A 629 -17.135 5.253 -7.341 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.055 3.754 -8.237 1.00 0.00 C ATOM 0 H ALA A 629 -14.875 2.643 -5.983 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.072 5.230 -7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -15.316 4.452 -9.033 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -14.122 3.250 -8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -15.849 3.015 -8.128 1.00 0.00 H new ATOM 1016 N ALA A 630 -16.127 6.003 -5.473 1.00 0.00 N ATOM 1017 CA ALA A 630 -17.274 6.793 -5.038 1.00 0.00 C ATOM 1018 C ALA A 630 -16.854 7.866 -4.040 1.00 0.00 C ATOM 1019 O ALA A 630 -17.577 8.838 -3.817 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.335 5.890 -4.428 1.00 0.00 C ATOM 0 H ALA A 630 -15.323 6.047 -4.847 1.00 0.00 H new ATOM 0 HA ALA A 630 -17.694 7.291 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.185 6.492 -4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -18.665 5.163 -5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.917 5.367 -3.568 1.00 0.00 H new ATOM 1026 N GLY A 631 -15.683 7.682 -3.439 1.00 0.00 N ATOM 1027 CA GLY A 631 -15.187 8.640 -2.469 1.00 0.00 C ATOM 1028 C GLY A 631 -15.126 8.061 -1.069 1.00 0.00 C ATOM 1029 O GLY A 631 -15.204 8.794 -0.082 1.00 0.00 O ATOM 0 H GLY A 631 -15.068 6.886 -3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -14.192 8.973 -2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -15.831 9.520 -2.468 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.989 6.742 -0.987 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.921 6.056 0.298 1.00 0.00 C ATOM 1035 C ASN A 632 -13.620 5.268 0.422 1.00 0.00 C ATOM 1036 O ASN A 632 -13.335 4.391 -0.394 1.00 0.00 O ATOM 1037 CB ASN A 632 -16.117 5.118 0.458 1.00 0.00 C ATOM 1038 CG ASN A 632 -17.400 5.726 -0.076 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -18.047 5.162 -0.957 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -17.771 6.884 0.456 1.00 0.00 N ATOM 0 H ASN A 632 -14.923 6.126 -1.797 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.948 6.806 1.088 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.915 4.183 -0.065 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -16.245 4.872 1.512 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -18.624 7.342 0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -17.203 7.316 1.185 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.834 5.589 1.444 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.561 4.913 1.671 1.00 0.00 C ATOM 1049 C VAL A 633 -11.342 4.631 3.155 1.00 0.00 C ATOM 1050 O VAL A 633 -11.562 5.498 4.002 1.00 0.00 O ATOM 1051 CB VAL A 633 -10.382 5.749 1.127 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -10.498 7.197 1.578 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -9.048 5.154 1.557 1.00 0.00 C ATOM 0 H VAL A 633 -13.055 6.312 2.128 1.00 0.00 H new ATOM 0 HA VAL A 633 -11.601 3.965 1.134 1.00 0.00 H new ATOM 0 HB VAL A 633 -10.425 5.726 0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -9.658 7.769 1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -11.431 7.620 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -10.488 7.241 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -8.234 5.761 1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -8.991 5.137 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -8.962 4.138 1.173 1.00 0.00 H new ATOM 1063 N SER A 634 -10.905 3.413 3.460 1.00 0.00 N ATOM 1064 CA SER A 634 -10.651 3.008 4.840 1.00 0.00 C ATOM 1065 C SER A 634 -9.345 3.607 5.349 1.00 0.00 C ATOM 1066 O SER A 634 -8.690 4.378 4.647 1.00 0.00 O ATOM 1067 CB SER A 634 -10.599 1.482 4.943 1.00 0.00 C ATOM 1068 OG SER A 634 -11.330 1.019 6.066 1.00 0.00 O ATOM 0 H SER A 634 -10.719 2.687 2.768 1.00 0.00 H new ATOM 0 HA SER A 634 -11.467 3.380 5.459 1.00 0.00 H new ATOM 0 HB2 SER A 634 -11.005 1.039 4.034 1.00 0.00 H new ATOM 0 HB3 SER A 634 -9.562 1.155 5.021 1.00 0.00 H new ATOM 0 HG SER A 634 -12.154 0.583 5.763 1.00 0.00 H new ATOM 1074 N ALA A 635 -8.971 3.249 6.573 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.741 3.752 7.174 1.00 0.00 C ATOM 1076 C ALA A 635 -6.518 3.075 6.566 1.00 0.00 C ATOM 1077 O ALA A 635 -6.643 2.177 5.733 1.00 0.00 O ATOM 1078 CB ALA A 635 -7.768 3.550 8.682 1.00 0.00 C ATOM 0 H ALA A 635 -9.502 2.613 7.168 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.673 4.820 6.965 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -6.844 3.930 9.117 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -8.616 4.087 9.106 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -7.864 2.487 8.905 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.335 3.513 6.983 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.090 2.951 6.476 1.00 0.00 C ATOM 1086 C ALA A 636 -3.841 1.561 7.052 1.00 0.00 C ATOM 1087 O ALA A 636 -4.328 1.230 8.132 1.00 0.00 O ATOM 1088 CB ALA A 636 -2.925 3.877 6.794 1.00 0.00 C ATOM 0 H ALA A 636 -5.213 4.256 7.671 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.176 2.855 5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.001 3.445 6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.094 4.847 6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -2.845 4.003 7.874 1.00 0.00 H new ATOM 1094 N SER A 637 -3.078 0.754 6.322 1.00 0.00 N ATOM 1095 CA SER A 637 -2.764 -0.602 6.757 1.00 0.00 C ATOM 1096 C SER A 637 -1.642 -0.592 7.792 1.00 0.00 C ATOM 1097 O SER A 637 -1.334 0.447 8.377 1.00 0.00 O ATOM 1098 CB SER A 637 -2.362 -1.463 5.557 1.00 0.00 C ATOM 1099 OG SER A 637 -0.967 -1.384 5.315 1.00 0.00 O ATOM 0 H SER A 637 -2.666 1.016 5.426 1.00 0.00 H new ATOM 0 HA SER A 637 -3.655 -1.028 7.218 1.00 0.00 H new ATOM 0 HB2 SER A 637 -2.644 -2.500 5.739 1.00 0.00 H new ATOM 0 HB3 SER A 637 -2.907 -1.135 4.672 1.00 0.00 H new ATOM 0 HG SER A 637 -0.521 -2.158 5.718 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.034 -1.754 8.009 1.00 0.00 N ATOM 1106 CA ASN A 638 0.055 -1.877 8.969 1.00 0.00 C ATOM 1107 C ASN A 638 1.338 -1.269 8.413 1.00 0.00 C ATOM 1108 O ASN A 638 1.584 -1.314 7.207 1.00 0.00 O ATOM 1109 CB ASN A 638 0.286 -3.345 9.322 1.00 0.00 C ATOM 1110 CG ASN A 638 0.092 -3.623 10.800 1.00 0.00 C ATOM 1111 OD1 ASN A 638 0.708 -2.980 11.650 1.00 0.00 O ATOM 1112 ND2 ASN A 638 -0.769 -4.584 11.111 1.00 0.00 N ATOM 0 H ASN A 638 -1.277 -2.623 7.533 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.224 -1.333 9.871 1.00 0.00 H new ATOM 0 HB2 ASN A 638 -0.399 -3.966 8.745 1.00 0.00 H new ATOM 0 HB3 ASN A 638 1.297 -3.631 9.031 1.00 0.00 H new ATOM 0 HD21 ASN A 638 -0.943 -4.816 12.089 1.00 0.00 H new ATOM 0 HD22 ASN A 638 -1.257 -5.090 10.372 1.00 0.00 H new ATOM 1119 N ALA A 639 2.151 -0.702 9.297 1.00 0.00 N ATOM 1120 CA ALA A 639 3.408 -0.086 8.891 1.00 0.00 C ATOM 1121 C ALA A 639 4.488 -1.140 8.682 1.00 0.00 C ATOM 1122 O ALA A 639 4.835 -1.880 9.604 1.00 0.00 O ATOM 1123 CB ALA A 639 3.856 0.934 9.928 1.00 0.00 C ATOM 0 H ALA A 639 1.962 -0.656 10.298 1.00 0.00 H new ATOM 0 HA ALA A 639 3.246 0.426 7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.796 1.386 9.611 1.00 0.00 H new ATOM 0 HB2 ALA A 639 3.096 1.709 10.028 1.00 0.00 H new ATOM 0 HB3 ALA A 639 3.997 0.438 10.889 1.00 0.00 H new ATOM 1129 N VAL A 640 5.015 -1.206 7.464 1.00 0.00 N ATOM 1130 CA VAL A 640 6.054 -2.173 7.135 1.00 0.00 C ATOM 1131 C VAL A 640 7.429 -1.512 7.083 1.00 0.00 C ATOM 1132 O VAL A 640 7.595 -0.443 6.498 1.00 0.00 O ATOM 1133 CB VAL A 640 5.770 -2.870 5.787 1.00 0.00 C ATOM 1134 CG1 VAL A 640 5.942 -1.902 4.624 1.00 0.00 C ATOM 1135 CG2 VAL A 640 6.666 -4.088 5.616 1.00 0.00 C ATOM 0 H VAL A 640 4.740 -0.602 6.690 1.00 0.00 H new ATOM 0 HA VAL A 640 6.050 -2.922 7.926 1.00 0.00 H new ATOM 0 HB VAL A 640 4.733 -3.206 5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 640 5.736 -2.419 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 640 5.249 -1.069 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 640 6.965 -1.525 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 640 6.451 -4.566 4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 640 7.711 -3.778 5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 640 6.479 -4.794 6.425 1.00 0.00 H new ATOM 1145 N SER A 641 8.411 -2.160 7.699 1.00 0.00 N ATOM 1146 CA SER A 641 9.771 -1.642 7.719 1.00 0.00 C ATOM 1147 C SER A 641 10.677 -2.498 6.841 1.00 0.00 C ATOM 1148 O SER A 641 11.034 -3.618 7.207 1.00 0.00 O ATOM 1149 CB SER A 641 10.308 -1.610 9.152 1.00 0.00 C ATOM 1150 OG SER A 641 9.352 -1.061 10.043 1.00 0.00 O ATOM 0 H SER A 641 8.289 -3.045 8.191 1.00 0.00 H new ATOM 0 HA SER A 641 9.759 -0.625 7.326 1.00 0.00 H new ATOM 0 HB2 SER A 641 10.567 -2.620 9.469 1.00 0.00 H new ATOM 0 HB3 SER A 641 11.224 -1.020 9.187 1.00 0.00 H new ATOM 0 HG SER A 641 9.718 -1.053 10.952 1.00 0.00 H new ATOM 1156 N VAL A 642 11.038 -1.967 5.678 1.00 0.00 N ATOM 1157 CA VAL A 642 11.895 -2.686 4.742 1.00 0.00 C ATOM 1158 C VAL A 642 13.275 -2.045 4.655 1.00 0.00 C ATOM 1159 O VAL A 642 13.398 -0.834 4.473 1.00 0.00 O ATOM 1160 CB VAL A 642 11.278 -2.740 3.327 1.00 0.00 C ATOM 1161 CG1 VAL A 642 11.049 -4.180 2.900 1.00 0.00 C ATOM 1162 CG2 VAL A 642 9.980 -1.949 3.271 1.00 0.00 C ATOM 0 H VAL A 642 10.751 -1.041 5.361 1.00 0.00 H new ATOM 0 HA VAL A 642 11.989 -3.702 5.125 1.00 0.00 H new ATOM 0 HB VAL A 642 11.981 -2.283 2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 642 10.614 -4.198 1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 642 12.000 -4.713 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.369 -4.664 3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 642 9.565 -2.002 2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 642 9.267 -2.369 3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 642 10.177 -0.908 3.528 1.00 0.00 H new ATOM 1172 N LYS A 643 14.313 -2.867 4.784 1.00 0.00 N ATOM 1173 CA LYS A 643 15.686 -2.381 4.718 1.00 0.00 C ATOM 1174 C LYS A 643 16.258 -2.560 3.315 1.00 0.00 C ATOM 1175 O LYS A 643 16.311 -3.674 2.792 1.00 0.00 O ATOM 1176 CB LYS A 643 16.560 -3.111 5.742 1.00 0.00 C ATOM 1177 CG LYS A 643 16.530 -4.624 5.601 1.00 0.00 C ATOM 1178 CD LYS A 643 17.841 -5.254 6.043 1.00 0.00 C ATOM 1179 CE LYS A 643 18.943 -5.029 5.020 1.00 0.00 C ATOM 1180 NZ LYS A 643 19.820 -3.885 5.392 1.00 0.00 N ATOM 0 H LYS A 643 14.228 -3.872 4.935 1.00 0.00 H new ATOM 0 HA LYS A 643 15.682 -1.317 4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 643 17.589 -2.766 5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 643 16.231 -2.842 6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 643 15.712 -5.029 6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 643 16.330 -4.889 4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 643 18.143 -4.833 7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 643 17.698 -6.324 6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 643 19.545 -5.933 4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 643 18.498 -4.843 4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 19.563 -3.052 4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 19.698 -3.668 6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 20.813 -4.135 5.209 1.00 0.00 H new ATOM 1194 N THR A 644 16.680 -1.456 2.710 1.00 0.00 N ATOM 1195 CA THR A 644 17.243 -1.486 1.366 1.00 0.00 C ATOM 1196 C THR A 644 18.766 -1.548 1.410 1.00 0.00 C ATOM 1197 O THR A 644 19.400 -1.248 0.376 1.00 0.00 O ATOM 1198 CB THR A 644 16.813 -0.251 0.552 1.00 0.00 C ATOM 1199 OG1 THR A 644 17.166 0.946 1.257 1.00 0.00 O ATOM 1200 CG2 THR A 644 15.314 -0.269 0.296 1.00 0.00 C ATOM 1201 OXT THR A 644 19.312 -1.896 2.478 1.00 0.00 O ATOM 0 H THR A 644 16.643 -0.527 3.130 1.00 0.00 H new ATOM 0 HA THR A 644 16.860 -2.384 0.881 1.00 0.00 H new ATOM 0 HB THR A 644 17.331 -0.275 -0.407 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.974 1.725 0.695 1.00 0.00 H new ATOM 0 HG21 THR A 644 15.033 0.612 -0.280 1.00 0.00 H new ATOM 0 HG22 THR A 644 15.051 -1.167 -0.263 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.782 -0.265 1.248 1.00 0.00 H new