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 -82:sc= -0.0663 USER MOD Set 1.2: A 592 TYR OH : rot 30:sc= 0.238 USER MOD Set 2.1: A 572 THR OG1 : rot -39:sc= 0.62 USER MOD Set 2.2: A 574 SER OG : rot 180:sc= -0.0603 USER MOD Set 2.3: A 575 SER OG : rot 180:sc= 0.019 USER MOD Single : A 561 THR OG1 : rot 180:sc= -0.0276 USER MOD Single : A 564 THR OG1 : rot 180:sc= -0.0625 USER MOD Single : A 565 ASN : amide:sc= -0.0806 X(o=-0.081,f=-0.089) USER MOD Single : A 568 SER OG : rot -90:sc= -0.732 USER MOD Single : A 569 THR OG1 : rot 180:sc= -0.491 USER MOD Single : A 571 GLN : amide:sc= -0.0288 K(o=-0.029,f=-0.58) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0.00618 USER MOD Single : A 577 THR OG1 : rot -150:sc= -2.01! USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 180:sc= 0 USER MOD Single : A 584 THR OG1 : rot -20:sc= 0.915 USER MOD Single : A 586 ASN : amide:sc= -0.884 X(o=-0.88,f=-1.1) USER MOD Single : A 590 THR OG1 : rot 180:sc= 0 USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN : amide:sc= -0.893 K(o=-0.89,f=-0.14) USER MOD Single : A 598 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 THR OG1 : rot 148:sc= -0.0889 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=-0.00577 USER MOD Single : A 618 THR OG1 : rot 180:sc= 0 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 TYR OH : rot 150:sc= 0.0544 USER MOD Single : A 621 THR OG1 : rot 180:sc= 0.00374 USER MOD Single : A 623 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 625 LYS NZ :NH3+ 179:sc= 0.337 (180deg=0.337) USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 632 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.4!) USER MOD Single : A 634 SER OG : rot 90:sc= 0.0555 USER MOD Single : A 637 SER OG : rot 60:sc= 1.23 USER MOD Single : A 638 ASN : amide:sc= -4.65! K(o=-4.7!,f=-0.034) USER MOD Single : A 641 SER OG : rot 180:sc= -0.123 USER MOD Single : A 643 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 644 THR OG1 : rot 140:sc= 0.965 USER MOD ----------------------------------------------------------------- ATOM 38 N ALA A 559 -17.588 3.907 3.722 1.00 0.00 N ATOM 39 CA ALA A 559 -16.152 3.690 3.592 1.00 0.00 C ATOM 40 C ALA A 559 -15.831 2.204 3.429 1.00 0.00 C ATOM 41 O ALA A 559 -16.482 1.353 4.036 1.00 0.00 O ATOM 42 CB ALA A 559 -15.421 4.260 4.798 1.00 0.00 C ATOM 0 HA ALA A 559 -15.812 4.208 2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -14.350 4.091 4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -15.614 5.330 4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -15.775 3.768 5.704 1.00 0.00 H new ATOM 48 N PRO A 560 -14.820 1.872 2.604 1.00 0.00 N ATOM 49 CA PRO A 560 -14.418 0.482 2.366 1.00 0.00 C ATOM 50 C PRO A 560 -13.688 -0.123 3.562 1.00 0.00 C ATOM 51 O PRO A 560 -13.892 0.298 4.701 1.00 0.00 O ATOM 52 CB PRO A 560 -13.481 0.591 1.164 1.00 0.00 C ATOM 53 CG PRO A 560 -12.899 1.956 1.270 1.00 0.00 C ATOM 54 CD PRO A 560 -13.987 2.824 1.841 1.00 0.00 C ATOM 0 HA PRO A 560 -15.275 -0.171 2.199 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.706 -0.175 1.194 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -14.021 0.461 0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -12.020 1.957 1.914 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.579 2.321 0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.582 3.607 2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.559 3.319 1.056 1.00 0.00 H new ATOM 62 N THR A 561 -12.838 -1.110 3.296 1.00 0.00 N ATOM 63 CA THR A 561 -12.078 -1.771 4.349 1.00 0.00 C ATOM 64 C THR A 561 -10.581 -1.541 4.174 1.00 0.00 C ATOM 65 O THR A 561 -10.055 -1.633 3.064 1.00 0.00 O ATOM 66 CB THR A 561 -12.353 -3.286 4.375 1.00 0.00 C ATOM 67 OG1 THR A 561 -13.738 -3.539 4.108 1.00 0.00 O ATOM 68 CG2 THR A 561 -11.976 -3.881 5.724 1.00 0.00 C ATOM 0 H THR A 561 -12.659 -1.469 2.358 1.00 0.00 H new ATOM 0 HA THR A 561 -12.402 -1.334 5.294 1.00 0.00 H new ATOM 0 HB THR A 561 -11.743 -3.756 3.604 1.00 0.00 H new ATOM 0 HG1 THR A 561 -13.903 -4.505 4.125 1.00 0.00 H new ATOM 0 HG21 THR A 561 -12.179 -4.952 5.719 1.00 0.00 H new ATOM 0 HG22 THR A 561 -10.915 -3.714 5.912 1.00 0.00 H new ATOM 0 HG23 THR A 561 -12.563 -3.404 6.509 1.00 0.00 H new ATOM 76 N ALA A 562 -9.901 -1.240 5.274 1.00 0.00 N ATOM 77 CA ALA A 562 -8.463 -0.995 5.245 1.00 0.00 C ATOM 78 C ALA A 562 -7.684 -2.301 5.090 1.00 0.00 C ATOM 79 O ALA A 562 -7.900 -3.250 5.843 1.00 0.00 O ATOM 80 CB ALA A 562 -8.029 -0.272 6.511 1.00 0.00 C ATOM 0 H ALA A 562 -10.323 -1.159 6.199 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.244 -0.366 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -6.954 -0.095 6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -8.552 0.682 6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.269 -0.884 7.380 1.00 0.00 H new ATOM 86 N PRO A 563 -6.758 -2.363 4.112 1.00 0.00 N ATOM 87 CA PRO A 563 -5.940 -3.560 3.868 1.00 0.00 C ATOM 88 C PRO A 563 -5.337 -4.118 5.153 1.00 0.00 C ATOM 89 O PRO A 563 -5.141 -3.388 6.125 1.00 0.00 O ATOM 90 CB PRO A 563 -4.838 -3.046 2.943 1.00 0.00 C ATOM 91 CG PRO A 563 -5.456 -1.903 2.215 1.00 0.00 C ATOM 92 CD PRO A 563 -6.434 -1.273 3.171 1.00 0.00 C ATOM 0 HA PRO A 563 -6.524 -4.378 3.448 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -3.963 -2.728 3.509 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.507 -3.822 2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.698 -1.184 1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -5.961 -2.245 1.311 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -5.996 -0.417 3.685 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.324 -0.913 2.654 1.00 0.00 H new ATOM 100 N THR A 564 -5.047 -5.415 5.153 1.00 0.00 N ATOM 101 CA THR A 564 -4.468 -6.065 6.323 1.00 0.00 C ATOM 102 C THR A 564 -3.393 -7.070 5.923 1.00 0.00 C ATOM 103 O THR A 564 -3.416 -7.613 4.819 1.00 0.00 O ATOM 104 CB THR A 564 -5.542 -6.783 7.161 1.00 0.00 C ATOM 105 OG1 THR A 564 -4.959 -7.877 7.878 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.668 -7.295 6.277 1.00 0.00 C ATOM 0 H THR A 564 -5.203 -6.035 4.358 1.00 0.00 H new ATOM 0 HA THR A 564 -4.016 -5.277 6.926 1.00 0.00 H new ATOM 0 HB THR A 564 -5.954 -6.064 7.869 1.00 0.00 H new ATOM 0 HG1 THR A 564 -5.650 -8.326 8.409 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.414 -7.798 6.893 1.00 0.00 H new ATOM 0 HG22 THR A 564 -7.132 -6.457 5.757 1.00 0.00 H new ATOM 0 HG23 THR A 564 -6.266 -7.998 5.547 1.00 0.00 H new ATOM 114 N ASN A 565 -2.455 -7.311 6.836 1.00 0.00 N ATOM 115 CA ASN A 565 -1.365 -8.251 6.594 1.00 0.00 C ATOM 116 C ASN A 565 -0.568 -7.870 5.347 1.00 0.00 C ATOM 117 O ASN A 565 -0.573 -8.592 4.350 1.00 0.00 O ATOM 118 CB ASN A 565 -1.907 -9.671 6.458 1.00 0.00 C ATOM 119 CG ASN A 565 -0.805 -10.708 6.374 1.00 0.00 C ATOM 120 OD1 ASN A 565 -0.611 -11.343 5.338 1.00 0.00 O ATOM 121 ND2 ASN A 565 -0.074 -10.886 7.469 1.00 0.00 N ATOM 0 H ASN A 565 -2.429 -6.866 7.753 1.00 0.00 H new ATOM 0 HA ASN A 565 -0.692 -8.208 7.451 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -2.548 -9.895 7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -2.530 -9.735 5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 565 0.682 -11.571 7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -0.269 -10.338 8.307 1.00 0.00 H new ATOM 128 N LEU A 566 0.123 -6.735 5.415 1.00 0.00 N ATOM 129 CA LEU A 566 0.933 -6.266 4.296 1.00 0.00 C ATOM 130 C LEU A 566 2.330 -6.873 4.364 1.00 0.00 C ATOM 131 O LEU A 566 2.766 -7.328 5.422 1.00 0.00 O ATOM 132 CB LEU A 566 1.019 -4.736 4.297 1.00 0.00 C ATOM 133 CG LEU A 566 2.013 -4.133 3.299 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.534 -4.331 1.868 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.223 -2.660 3.585 1.00 0.00 C ATOM 0 H LEU A 566 0.138 -6.125 6.232 1.00 0.00 H new ATOM 0 HA LEU A 566 0.457 -6.584 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 566 0.028 -4.333 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.291 -4.405 5.299 1.00 0.00 H new ATOM 0 HG LEU A 566 2.965 -4.651 3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.257 -3.894 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.434 -5.397 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.568 -3.844 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 566 2.932 -2.247 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.272 -2.134 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 566 2.616 -2.538 4.594 1.00 0.00 H new ATOM 147 N ALA A 567 3.029 -6.881 3.234 1.00 0.00 N ATOM 148 CA ALA A 567 4.373 -7.438 3.180 1.00 0.00 C ATOM 149 C ALA A 567 5.139 -6.947 1.956 1.00 0.00 C ATOM 150 O ALA A 567 4.578 -6.288 1.082 1.00 0.00 O ATOM 151 CB ALA A 567 4.313 -8.959 3.188 1.00 0.00 C ATOM 0 H ALA A 567 2.688 -6.509 2.347 1.00 0.00 H new ATOM 0 HA ALA A 567 4.909 -7.095 4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 567 5.324 -9.363 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.823 -9.299 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.749 -9.305 2.322 1.00 0.00 H new ATOM 157 N SER A 568 6.423 -7.288 1.902 1.00 0.00 N ATOM 158 CA SER A 568 7.278 -6.901 0.787 1.00 0.00 C ATOM 159 C SER A 568 7.981 -8.128 0.212 1.00 0.00 C ATOM 160 O SER A 568 8.490 -8.966 0.958 1.00 0.00 O ATOM 161 CB SER A 568 8.309 -5.864 1.241 1.00 0.00 C ATOM 162 OG SER A 568 9.612 -6.420 1.279 1.00 0.00 O ATOM 0 H SER A 568 6.895 -7.835 2.622 1.00 0.00 H new ATOM 0 HA SER A 568 6.657 -6.456 0.010 1.00 0.00 H new ATOM 0 HB2 SER A 568 8.294 -5.011 0.562 1.00 0.00 H new ATOM 0 HB3 SER A 568 8.041 -5.490 2.229 1.00 0.00 H new ATOM 0 HG SER A 568 9.780 -6.799 2.167 1.00 0.00 H new ATOM 168 N THR A 569 7.997 -8.235 -1.112 1.00 0.00 N ATOM 169 CA THR A 569 8.628 -9.373 -1.774 1.00 0.00 C ATOM 170 C THR A 569 9.937 -8.978 -2.455 1.00 0.00 C ATOM 171 O THR A 569 11.013 -9.120 -1.875 1.00 0.00 O ATOM 172 CB THR A 569 7.687 -10.003 -2.816 1.00 0.00 C ATOM 173 OG1 THR A 569 6.800 -9.008 -3.339 1.00 0.00 O ATOM 174 CG2 THR A 569 6.877 -11.134 -2.199 1.00 0.00 C ATOM 0 H THR A 569 7.583 -7.552 -1.746 1.00 0.00 H new ATOM 0 HA THR A 569 8.845 -10.104 -0.995 1.00 0.00 H new ATOM 0 HB THR A 569 8.295 -10.410 -3.624 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.205 -9.416 -4.003 1.00 0.00 H new ATOM 0 HG21 THR A 569 6.219 -11.564 -2.954 1.00 0.00 H new ATOM 0 HG22 THR A 569 7.553 -11.904 -1.825 1.00 0.00 H new ATOM 0 HG23 THR A 569 6.278 -10.745 -1.375 1.00 0.00 H new ATOM 182 N ALA A 570 9.840 -8.493 -3.690 1.00 0.00 N ATOM 183 CA ALA A 570 11.021 -8.092 -4.449 1.00 0.00 C ATOM 184 C ALA A 570 11.435 -6.661 -4.123 1.00 0.00 C ATOM 185 O ALA A 570 10.827 -5.704 -4.600 1.00 0.00 O ATOM 186 CB ALA A 570 10.763 -8.241 -5.940 1.00 0.00 C ATOM 0 H ALA A 570 8.957 -8.368 -4.186 1.00 0.00 H new ATOM 0 HA ALA A 570 11.842 -8.749 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.651 -7.939 -6.495 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.530 -9.281 -6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.923 -7.610 -6.229 1.00 0.00 H new ATOM 192 N GLN A 571 12.480 -6.524 -3.313 1.00 0.00 N ATOM 193 CA GLN A 571 12.984 -5.210 -2.929 1.00 0.00 C ATOM 194 C GLN A 571 14.425 -5.030 -3.393 1.00 0.00 C ATOM 195 O GLN A 571 15.274 -5.893 -3.166 1.00 0.00 O ATOM 196 CB GLN A 571 12.897 -5.020 -1.412 1.00 0.00 C ATOM 197 CG GLN A 571 12.092 -6.098 -0.704 1.00 0.00 C ATOM 198 CD GLN A 571 12.974 -7.138 -0.041 1.00 0.00 C ATOM 199 OE1 GLN A 571 13.269 -8.182 -0.624 1.00 0.00 O ATOM 200 NE2 GLN A 571 13.399 -6.859 1.186 1.00 0.00 N ATOM 0 H GLN A 571 12.994 -7.307 -2.910 1.00 0.00 H new ATOM 0 HA GLN A 571 12.363 -4.456 -3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 571 13.906 -5.003 -0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.450 -4.049 -1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 571 11.453 -5.635 0.048 1.00 0.00 H new ATOM 0 HG3 GLN A 571 11.435 -6.588 -1.423 1.00 0.00 H new ATOM 0 HE21 GLN A 571 13.130 -5.982 1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 571 13.994 -7.522 1.683 1.00 0.00 H new ATOM 209 N THR A 572 14.691 -3.905 -4.048 1.00 0.00 N ATOM 210 CA THR A 572 16.026 -3.609 -4.551 1.00 0.00 C ATOM 211 C THR A 572 16.534 -2.271 -4.021 1.00 0.00 C ATOM 212 O THR A 572 16.080 -1.795 -2.979 1.00 0.00 O ATOM 213 CB THR A 572 16.047 -3.584 -6.091 1.00 0.00 C ATOM 214 OG1 THR A 572 15.189 -2.545 -6.575 1.00 0.00 O ATOM 215 CG2 THR A 572 15.601 -4.923 -6.658 1.00 0.00 C ATOM 0 H THR A 572 13.998 -3.182 -4.243 1.00 0.00 H new ATOM 0 HA THR A 572 16.683 -4.404 -4.197 1.00 0.00 H new ATOM 0 HB THR A 572 17.069 -3.391 -6.417 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.383 -2.501 -6.019 1.00 0.00 H new ATOM 0 HG21 THR A 572 15.623 -4.883 -7.747 1.00 0.00 H new ATOM 0 HG22 THR A 572 16.273 -5.707 -6.310 1.00 0.00 H new ATOM 0 HG23 THR A 572 14.586 -5.140 -6.324 1.00 0.00 H new ATOM 223 N THR A 573 17.479 -1.669 -4.741 1.00 0.00 N ATOM 224 CA THR A 573 18.049 -0.389 -4.338 1.00 0.00 C ATOM 225 C THR A 573 17.338 0.777 -5.020 1.00 0.00 C ATOM 226 O THR A 573 17.899 1.865 -5.148 1.00 0.00 O ATOM 227 CB THR A 573 19.552 -0.319 -4.665 1.00 0.00 C ATOM 228 OG1 THR A 573 19.787 -0.785 -5.999 1.00 0.00 O ATOM 229 CG2 THR A 573 20.360 -1.155 -3.682 1.00 0.00 C ATOM 0 H THR A 573 17.865 -2.049 -5.606 1.00 0.00 H new ATOM 0 HA THR A 573 17.911 -0.310 -3.260 1.00 0.00 H new ATOM 0 HB THR A 573 19.870 0.720 -4.582 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.745 -0.735 -6.199 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.419 -1.090 -3.933 1.00 0.00 H new ATOM 0 HG22 THR A 573 20.203 -0.780 -2.671 1.00 0.00 H new ATOM 0 HG23 THR A 573 20.037 -2.195 -3.737 1.00 0.00 H new ATOM 237 N SER A 574 16.102 0.545 -5.457 1.00 0.00 N ATOM 238 CA SER A 574 15.324 1.584 -6.123 1.00 0.00 C ATOM 239 C SER A 574 13.846 1.208 -6.188 1.00 0.00 C ATOM 240 O SER A 574 12.978 2.011 -5.845 1.00 0.00 O ATOM 241 CB SER A 574 15.862 1.829 -7.534 1.00 0.00 C ATOM 242 OG SER A 574 15.764 0.660 -8.328 1.00 0.00 O ATOM 0 H SER A 574 15.621 -0.349 -5.362 1.00 0.00 H new ATOM 0 HA SER A 574 15.420 2.500 -5.540 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.304 2.639 -8.004 1.00 0.00 H new ATOM 0 HB3 SER A 574 16.903 2.149 -7.479 1.00 0.00 H new ATOM 0 HG SER A 574 16.113 0.844 -9.225 1.00 0.00 H new ATOM 248 N SER A 575 13.567 -0.014 -6.630 1.00 0.00 N ATOM 249 CA SER A 575 12.192 -0.492 -6.740 1.00 0.00 C ATOM 250 C SER A 575 11.855 -1.450 -5.601 1.00 0.00 C ATOM 251 O SER A 575 12.745 -1.949 -4.916 1.00 0.00 O ATOM 252 CB SER A 575 11.977 -1.184 -8.086 1.00 0.00 C ATOM 253 OG SER A 575 13.214 -1.471 -8.715 1.00 0.00 O ATOM 0 H SER A 575 14.273 -0.691 -6.918 1.00 0.00 H new ATOM 0 HA SER A 575 11.528 0.370 -6.673 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.418 -2.108 -7.938 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.375 -0.547 -8.734 1.00 0.00 H new ATOM 0 HG SER A 575 13.049 -1.915 -9.573 1.00 0.00 H new ATOM 259 N ILE A 576 10.564 -1.702 -5.405 1.00 0.00 N ATOM 260 CA ILE A 576 10.111 -2.600 -4.348 1.00 0.00 C ATOM 261 C ILE A 576 8.713 -3.141 -4.640 1.00 0.00 C ATOM 262 O ILE A 576 7.872 -2.444 -5.208 1.00 0.00 O ATOM 263 CB ILE A 576 10.100 -1.893 -2.976 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.760 -2.889 -1.862 1.00 0.00 C ATOM 265 CG2 ILE A 576 9.113 -0.734 -2.984 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.746 -2.275 -0.479 1.00 0.00 C ATOM 0 H ILE A 576 9.813 -1.297 -5.964 1.00 0.00 H new ATOM 0 HA ILE A 576 10.817 -3.430 -4.317 1.00 0.00 H new ATOM 0 HB ILE A 576 11.096 -1.493 -2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.783 -3.328 -2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.485 -3.703 -1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 576 9.117 -0.246 -2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.402 -0.015 -3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 576 8.112 -1.110 -3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.498 -3.040 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.729 -1.861 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 576 9.001 -1.480 -0.441 1.00 0.00 H new ATOM 278 N THR A 577 8.474 -4.386 -4.240 1.00 0.00 N ATOM 279 CA THR A 577 7.179 -5.023 -4.447 1.00 0.00 C ATOM 280 C THR A 577 6.425 -5.140 -3.128 1.00 0.00 C ATOM 281 O THR A 577 7.004 -5.501 -2.103 1.00 0.00 O ATOM 282 CB THR A 577 7.332 -6.423 -5.070 1.00 0.00 C ATOM 283 OG1 THR A 577 8.248 -6.372 -6.171 1.00 0.00 O ATOM 284 CG2 THR A 577 5.989 -6.955 -5.547 1.00 0.00 C ATOM 0 H THR A 577 9.162 -4.974 -3.770 1.00 0.00 H new ATOM 0 HA THR A 577 6.615 -4.395 -5.137 1.00 0.00 H new ATOM 0 HB THR A 577 7.720 -7.095 -4.305 1.00 0.00 H new ATOM 0 HG1 THR A 577 8.006 -7.056 -6.830 1.00 0.00 H new ATOM 0 HG21 THR A 577 6.124 -7.945 -5.983 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.303 -7.021 -4.703 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.577 -6.281 -6.298 1.00 0.00 H new ATOM 292 N LEU A 578 5.136 -4.822 -3.154 1.00 0.00 N ATOM 293 CA LEU A 578 4.313 -4.882 -1.951 1.00 0.00 C ATOM 294 C LEU A 578 3.053 -5.710 -2.182 1.00 0.00 C ATOM 295 O LEU A 578 2.283 -5.444 -3.104 1.00 0.00 O ATOM 296 CB LEU A 578 3.934 -3.466 -1.504 1.00 0.00 C ATOM 297 CG LEU A 578 4.310 -3.103 -0.062 1.00 0.00 C ATOM 298 CD1 LEU A 578 5.717 -3.577 0.274 1.00 0.00 C ATOM 299 CD2 LEU A 578 4.195 -1.601 0.154 1.00 0.00 C ATOM 0 H LEU A 578 4.639 -4.521 -3.992 1.00 0.00 H new ATOM 0 HA LEU A 578 4.896 -5.366 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 578 4.411 -2.752 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 578 2.857 -3.343 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 578 3.613 -3.610 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.956 -3.306 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 578 5.773 -4.660 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 578 6.431 -3.105 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 578 4.465 -1.360 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.868 -1.083 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 578 3.170 -1.284 -0.036 1.00 0.00 H new ATOM 311 N SER A 579 2.848 -6.710 -1.332 1.00 0.00 N ATOM 312 CA SER A 579 1.678 -7.575 -1.429 1.00 0.00 C ATOM 313 C SER A 579 0.875 -7.528 -0.134 1.00 0.00 C ATOM 314 O SER A 579 1.445 -7.538 0.958 1.00 0.00 O ATOM 315 CB SER A 579 2.101 -9.015 -1.729 1.00 0.00 C ATOM 316 OG SER A 579 0.994 -9.897 -1.655 1.00 0.00 O ATOM 0 H SER A 579 3.479 -6.942 -0.565 1.00 0.00 H new ATOM 0 HA SER A 579 1.052 -7.216 -2.246 1.00 0.00 H new ATOM 0 HB2 SER A 579 2.546 -9.067 -2.723 1.00 0.00 H new ATOM 0 HB3 SER A 579 2.867 -9.328 -1.020 1.00 0.00 H new ATOM 0 HG SER A 579 1.290 -10.810 -1.852 1.00 0.00 H new ATOM 322 N TRP A 580 -0.447 -7.469 -0.258 1.00 0.00 N ATOM 323 CA TRP A 580 -1.316 -7.410 0.912 1.00 0.00 C ATOM 324 C TRP A 580 -2.670 -8.052 0.631 1.00 0.00 C ATOM 325 O TRP A 580 -2.995 -8.367 -0.515 1.00 0.00 O ATOM 326 CB TRP A 580 -1.512 -5.957 1.346 1.00 0.00 C ATOM 327 CG TRP A 580 -2.185 -5.117 0.303 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.521 -4.857 0.197 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.556 -4.433 -0.785 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.761 -4.051 -0.889 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.570 -3.776 -1.509 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.232 -4.308 -1.219 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.301 -3.009 -2.639 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.032 -3.546 -2.341 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.998 -2.905 -3.040 1.00 0.00 C ATOM 0 H TRP A 580 -0.938 -7.461 -1.152 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.835 -7.969 1.715 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.105 -5.934 2.260 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.542 -5.521 1.584 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.279 -5.231 0.869 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.676 -3.712 -1.186 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.570 -4.798 -0.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -3.094 -2.513 -3.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.051 -3.443 -2.685 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.758 -2.317 -3.913 1.00 0.00 H new ATOM 346 N THR A 581 -3.455 -8.241 1.687 1.00 0.00 N ATOM 347 CA THR A 581 -4.777 -8.841 1.565 1.00 0.00 C ATOM 348 C THR A 581 -5.811 -7.805 1.140 1.00 0.00 C ATOM 349 O THR A 581 -5.792 -6.667 1.610 1.00 0.00 O ATOM 350 CB THR A 581 -5.225 -9.490 2.889 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.217 -10.395 3.355 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.539 -10.236 2.713 1.00 0.00 C ATOM 0 H THR A 581 -3.196 -7.986 2.640 1.00 0.00 H new ATOM 0 HA THR A 581 -4.706 -9.614 0.800 1.00 0.00 H new ATOM 0 HB THR A 581 -5.373 -8.698 3.623 1.00 0.00 H new ATOM 0 HG1 THR A 581 -4.507 -10.803 4.198 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.833 -10.685 3.662 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.312 -9.540 2.386 1.00 0.00 H new ATOM 0 HG23 THR A 581 -6.416 -11.019 1.965 1.00 0.00 H new ATOM 360 N ALA A 582 -6.712 -8.207 0.249 1.00 0.00 N ATOM 361 CA ALA A 582 -7.756 -7.314 -0.240 1.00 0.00 C ATOM 362 C ALA A 582 -8.642 -6.835 0.903 1.00 0.00 C ATOM 363 O ALA A 582 -8.581 -7.365 2.013 1.00 0.00 O ATOM 364 CB ALA A 582 -8.593 -8.008 -1.305 1.00 0.00 C ATOM 0 H ALA A 582 -6.740 -9.146 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.276 -6.443 -0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -9.368 -7.328 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -7.954 -8.296 -2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -9.058 -8.897 -0.880 1.00 0.00 H new ATOM 370 N SER A 583 -9.467 -5.831 0.626 1.00 0.00 N ATOM 371 CA SER A 583 -10.367 -5.283 1.633 1.00 0.00 C ATOM 372 C SER A 583 -11.473 -6.276 1.971 1.00 0.00 C ATOM 373 O SER A 583 -12.294 -6.025 2.854 1.00 0.00 O ATOM 374 CB SER A 583 -10.977 -3.968 1.145 1.00 0.00 C ATOM 375 OG SER A 583 -11.765 -4.170 -0.015 1.00 0.00 O ATOM 0 H SER A 583 -9.531 -5.381 -0.287 1.00 0.00 H new ATOM 0 HA SER A 583 -9.787 -5.091 2.535 1.00 0.00 H new ATOM 0 HB2 SER A 583 -11.591 -3.533 1.934 1.00 0.00 H new ATOM 0 HB3 SER A 583 -10.183 -3.253 0.929 1.00 0.00 H new ATOM 0 HG SER A 583 -11.184 -4.201 -0.804 1.00 0.00 H new ATOM 381 N THR A 584 -11.489 -7.402 1.261 1.00 0.00 N ATOM 382 CA THR A 584 -12.494 -8.438 1.478 1.00 0.00 C ATOM 383 C THR A 584 -13.901 -7.855 1.420 1.00 0.00 C ATOM 384 O THR A 584 -14.842 -8.411 1.991 1.00 0.00 O ATOM 385 CB THR A 584 -12.290 -9.151 2.830 1.00 0.00 C ATOM 386 OG1 THR A 584 -12.779 -8.333 3.900 1.00 0.00 O ATOM 387 CG2 THR A 584 -10.819 -9.467 3.058 1.00 0.00 C ATOM 0 H THR A 584 -10.814 -7.620 0.528 1.00 0.00 H new ATOM 0 HA THR A 584 -12.375 -9.169 0.678 1.00 0.00 H new ATOM 0 HB THR A 584 -12.849 -10.087 2.808 1.00 0.00 H new ATOM 0 HG1 THR A 584 -12.832 -7.401 3.601 1.00 0.00 H new ATOM 0 HG21 THR A 584 -10.699 -9.970 4.018 1.00 0.00 H new ATOM 0 HG22 THR A 584 -10.459 -10.117 2.261 1.00 0.00 H new ATOM 0 HG23 THR A 584 -10.244 -8.541 3.059 1.00 0.00 H new ATOM 395 N ASP A 585 -14.036 -6.732 0.724 1.00 0.00 N ATOM 396 CA ASP A 585 -15.322 -6.065 0.580 1.00 0.00 C ATOM 397 C ASP A 585 -15.673 -5.882 -0.890 1.00 0.00 C ATOM 398 O ASP A 585 -16.740 -6.299 -1.340 1.00 0.00 O ATOM 399 CB ASP A 585 -15.297 -4.707 1.277 1.00 0.00 C ATOM 400 CG ASP A 585 -16.600 -4.394 1.987 1.00 0.00 C ATOM 401 OD1 ASP A 585 -17.358 -5.342 2.286 1.00 0.00 O ATOM 402 OD2 ASP A 585 -16.864 -3.201 2.243 1.00 0.00 O ATOM 0 H ASP A 585 -13.265 -6.263 0.249 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.082 -6.692 1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -14.480 -4.688 1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -15.092 -3.929 0.542 1.00 0.00 H new ATOM 407 N ASN A 586 -14.759 -5.255 -1.633 1.00 0.00 N ATOM 408 CA ASN A 586 -14.953 -5.006 -3.059 1.00 0.00 C ATOM 409 C ASN A 586 -16.356 -4.465 -3.330 1.00 0.00 C ATOM 410 O ASN A 586 -16.974 -3.863 -2.451 1.00 0.00 O ATOM 411 CB ASN A 586 -14.704 -6.281 -3.873 1.00 0.00 C ATOM 412 CG ASN A 586 -14.347 -7.473 -3.006 1.00 0.00 C ATOM 413 OD1 ASN A 586 -13.247 -7.550 -2.458 1.00 0.00 O ATOM 414 ND2 ASN A 586 -15.278 -8.411 -2.877 1.00 0.00 N ATOM 0 H ASN A 586 -13.872 -4.909 -1.266 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.229 -4.253 -3.370 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -15.596 -6.515 -4.455 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -13.898 -6.101 -4.584 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -15.095 -9.236 -2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -16.176 -8.306 -3.349 1.00 0.00 H new ATOM 421 N VAL A 587 -16.854 -4.676 -4.547 1.00 0.00 N ATOM 422 CA VAL A 587 -18.184 -4.200 -4.923 1.00 0.00 C ATOM 423 C VAL A 587 -18.312 -2.701 -4.661 1.00 0.00 C ATOM 424 O VAL A 587 -19.416 -2.163 -4.564 1.00 0.00 O ATOM 425 CB VAL A 587 -19.293 -4.950 -4.156 1.00 0.00 C ATOM 426 CG1 VAL A 587 -20.621 -4.846 -4.891 1.00 0.00 C ATOM 427 CG2 VAL A 587 -18.909 -6.407 -3.947 1.00 0.00 C ATOM 0 H VAL A 587 -16.358 -5.172 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 587 -18.307 -4.395 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 587 -19.407 -4.482 -3.178 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -21.389 -5.382 -4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -20.905 -3.798 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -20.522 -5.284 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -19.704 -6.919 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -18.763 -6.887 -4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -17.985 -6.461 -3.372 1.00 0.00 H new ATOM 437 N GLY A 588 -17.168 -2.036 -4.544 1.00 0.00 N ATOM 438 CA GLY A 588 -17.149 -0.608 -4.291 1.00 0.00 C ATOM 439 C GLY A 588 -15.753 -0.032 -4.420 1.00 0.00 C ATOM 440 O GLY A 588 -15.584 1.136 -4.770 1.00 0.00 O ATOM 0 H GLY A 588 -16.246 -2.465 -4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.816 -0.106 -4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.532 -0.411 -3.290 1.00 0.00 H new ATOM 444 N VAL A 589 -14.753 -0.862 -4.143 1.00 0.00 N ATOM 445 CA VAL A 589 -13.359 -0.447 -4.233 1.00 0.00 C ATOM 446 C VAL A 589 -12.882 -0.475 -5.683 1.00 0.00 C ATOM 447 O VAL A 589 -13.152 -1.430 -6.412 1.00 0.00 O ATOM 448 CB VAL A 589 -12.448 -1.355 -3.383 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.049 -0.765 -3.281 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.045 -1.570 -1.999 1.00 0.00 C ATOM 0 H VAL A 589 -14.884 -1.831 -3.853 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.298 0.571 -3.849 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.374 -2.324 -3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.421 -1.420 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.621 -0.670 -4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.102 0.218 -2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.387 -2.213 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.153 -0.609 -1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.023 -2.042 -2.094 1.00 0.00 H new ATOM 460 N THR A 590 -12.184 0.576 -6.098 1.00 0.00 N ATOM 461 CA THR A 590 -11.687 0.664 -7.467 1.00 0.00 C ATOM 462 C THR A 590 -10.178 0.895 -7.510 1.00 0.00 C ATOM 463 O THR A 590 -9.653 1.414 -8.496 1.00 0.00 O ATOM 464 CB THR A 590 -12.387 1.795 -8.246 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.976 3.068 -7.735 1.00 0.00 O ATOM 466 CG2 THR A 590 -13.899 1.666 -8.143 1.00 0.00 C ATOM 0 H THR A 590 -11.950 1.376 -5.510 1.00 0.00 H new ATOM 0 HA THR A 590 -11.911 -0.294 -7.937 1.00 0.00 H new ATOM 0 HB THR A 590 -12.102 1.716 -9.295 1.00 0.00 H new ATOM 0 HG1 THR A 590 -12.424 3.782 -8.236 1.00 0.00 H new ATOM 0 HG21 THR A 590 -14.372 2.475 -8.700 1.00 0.00 H new ATOM 0 HG22 THR A 590 -14.212 0.708 -8.558 1.00 0.00 H new ATOM 0 HG23 THR A 590 -14.199 1.723 -7.097 1.00 0.00 H new ATOM 474 N GLY A 591 -9.482 0.504 -6.446 1.00 0.00 N ATOM 475 CA GLY A 591 -8.040 0.681 -6.409 1.00 0.00 C ATOM 476 C GLY A 591 -7.493 0.835 -5.002 1.00 0.00 C ATOM 477 O GLY A 591 -8.249 1.030 -4.049 1.00 0.00 O ATOM 0 H GLY A 591 -9.886 0.071 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.563 -0.175 -6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.773 1.561 -6.994 1.00 0.00 H new ATOM 481 N TYR A 592 -6.172 0.749 -4.879 1.00 0.00 N ATOM 482 CA TYR A 592 -5.509 0.878 -3.586 1.00 0.00 C ATOM 483 C TYR A 592 -4.344 1.860 -3.663 1.00 0.00 C ATOM 484 O TYR A 592 -3.463 1.729 -4.513 1.00 0.00 O ATOM 485 CB TYR A 592 -5.000 -0.485 -3.114 1.00 0.00 C ATOM 486 CG TYR A 592 -6.100 -1.478 -2.822 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.622 -2.284 -3.826 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.618 -1.607 -1.541 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.628 -3.191 -3.560 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.626 -2.511 -1.267 1.00 0.00 C ATOM 491 CZ TYR A 592 -8.123 -3.308 -2.285 1.00 0.00 C ATOM 492 OH TYR A 592 -9.131 -4.201 -2.010 1.00 0.00 O ATOM 0 H TYR A 592 -5.538 0.590 -5.662 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.239 1.260 -2.872 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.341 -0.900 -3.876 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.400 -0.347 -2.215 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.235 -2.200 -4.831 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -6.227 -0.991 -0.745 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -8.025 -3.807 -4.353 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -8.024 -2.596 -0.266 1.00 0.00 H new ATOM 0 HH TYR A 592 -9.067 -4.965 -2.621 1.00 0.00 H new ATOM 502 N ASP A 593 -4.342 2.838 -2.764 1.00 0.00 N ATOM 503 CA ASP A 593 -3.282 3.840 -2.718 1.00 0.00 C ATOM 504 C ASP A 593 -2.351 3.573 -1.540 1.00 0.00 C ATOM 505 O ASP A 593 -2.775 3.616 -0.386 1.00 0.00 O ATOM 506 CB ASP A 593 -3.880 5.242 -2.605 1.00 0.00 C ATOM 507 CG ASP A 593 -5.140 5.404 -3.435 1.00 0.00 C ATOM 508 OD1 ASP A 593 -5.087 5.133 -4.653 1.00 0.00 O ATOM 509 OD2 ASP A 593 -6.179 5.798 -2.865 1.00 0.00 O ATOM 0 H ASP A 593 -5.065 2.959 -2.055 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.707 3.777 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -4.107 5.454 -1.560 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.141 5.976 -2.925 1.00 0.00 H new ATOM 514 N VAL A 594 -1.086 3.286 -1.833 1.00 0.00 N ATOM 515 CA VAL A 594 -0.113 3.003 -0.785 1.00 0.00 C ATOM 516 C VAL A 594 0.744 4.228 -0.480 1.00 0.00 C ATOM 517 O VAL A 594 1.184 4.934 -1.387 1.00 0.00 O ATOM 518 CB VAL A 594 0.786 1.801 -1.160 1.00 0.00 C ATOM 519 CG1 VAL A 594 0.711 1.519 -2.650 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.230 2.022 -0.727 1.00 0.00 C ATOM 0 H VAL A 594 -0.713 3.244 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.674 2.743 0.113 1.00 0.00 H new ATOM 0 HB VAL A 594 0.411 0.930 -0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.350 0.670 -2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 594 -0.318 1.288 -2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.047 2.396 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 594 2.830 1.157 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.625 2.912 -1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.269 2.156 0.354 1.00 0.00 H new ATOM 530 N TYR A 595 0.972 4.470 0.807 1.00 0.00 N ATOM 531 CA TYR A 595 1.770 5.607 1.250 1.00 0.00 C ATOM 532 C TYR A 595 3.195 5.184 1.589 1.00 0.00 C ATOM 533 O TYR A 595 3.500 3.994 1.678 1.00 0.00 O ATOM 534 CB TYR A 595 1.128 6.258 2.477 1.00 0.00 C ATOM 535 CG TYR A 595 -0.255 6.813 2.228 1.00 0.00 C ATOM 536 CD1 TYR A 595 -1.378 5.995 2.289 1.00 0.00 C ATOM 537 CD2 TYR A 595 -0.439 8.159 1.937 1.00 0.00 C ATOM 538 CE1 TYR A 595 -2.645 6.504 2.065 1.00 0.00 C ATOM 539 CE2 TYR A 595 -1.701 8.674 1.711 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.800 7.844 1.777 1.00 0.00 C ATOM 541 OH TYR A 595 -4.058 8.355 1.552 1.00 0.00 O ATOM 0 H TYR A 595 0.613 3.890 1.565 1.00 0.00 H new ATOM 0 HA TYR A 595 1.807 6.325 0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 595 1.073 5.522 3.279 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.773 7.063 2.827 1.00 0.00 H new ATOM 0 HD1 TYR A 595 -1.259 4.946 2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 595 0.419 8.814 1.887 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -3.507 5.856 2.115 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -1.826 9.722 1.484 1.00 0.00 H new ATOM 0 HH TYR A 595 -3.992 9.315 1.364 1.00 0.00 H new ATOM 551 N ASN A 596 4.058 6.173 1.791 1.00 0.00 N ATOM 552 CA ASN A 596 5.451 5.924 2.138 1.00 0.00 C ATOM 553 C ASN A 596 5.871 6.826 3.294 1.00 0.00 C ATOM 554 O ASN A 596 6.428 7.904 3.085 1.00 0.00 O ATOM 555 CB ASN A 596 6.356 6.161 0.926 1.00 0.00 C ATOM 556 CG ASN A 596 7.830 6.134 1.283 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.621 6.921 0.762 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.207 5.225 2.176 1.00 0.00 N ATOM 0 H ASN A 596 3.815 7.161 1.720 1.00 0.00 H new ATOM 0 HA ASN A 596 5.553 4.884 2.446 1.00 0.00 H new ATOM 0 HB2 ASN A 596 6.155 5.399 0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.112 7.124 0.478 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.186 5.160 2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 596 7.517 4.593 2.582 1.00 0.00 H new ATOM 565 N GLY A 597 5.585 6.382 4.512 1.00 0.00 N ATOM 566 CA GLY A 597 5.926 7.162 5.686 1.00 0.00 C ATOM 567 C GLY A 597 4.801 8.088 6.106 1.00 0.00 C ATOM 568 O GLY A 597 4.378 8.076 7.261 1.00 0.00 O ATOM 0 H GLY A 597 5.122 5.494 4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.167 6.490 6.509 1.00 0.00 H new ATOM 0 HA3 GLY A 597 6.821 7.750 5.482 1.00 0.00 H new ATOM 572 N THR A 598 4.315 8.890 5.161 1.00 0.00 N ATOM 573 CA THR A 598 3.229 9.826 5.432 1.00 0.00 C ATOM 574 C THR A 598 2.513 10.227 4.148 1.00 0.00 C ATOM 575 O THR A 598 1.287 10.151 4.061 1.00 0.00 O ATOM 576 CB THR A 598 3.740 11.097 6.134 1.00 0.00 C ATOM 577 OG1 THR A 598 5.097 11.356 5.755 1.00 0.00 O ATOM 578 CG2 THR A 598 3.648 10.957 7.646 1.00 0.00 C ATOM 0 H THR A 598 4.657 8.910 4.200 1.00 0.00 H new ATOM 0 HA THR A 598 2.530 9.311 6.091 1.00 0.00 H new ATOM 0 HB THR A 598 3.111 11.932 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.413 12.167 6.205 1.00 0.00 H new ATOM 0 HG21 THR A 598 4.015 11.868 8.119 1.00 0.00 H new ATOM 0 HG22 THR A 598 2.610 10.792 7.934 1.00 0.00 H new ATOM 0 HG23 THR A 598 4.253 10.111 7.971 1.00 0.00 H new ATOM 586 N ALA A 599 3.284 10.652 3.152 1.00 0.00 N ATOM 587 CA ALA A 599 2.720 11.063 1.874 1.00 0.00 C ATOM 588 C ALA A 599 2.392 9.852 1.008 1.00 0.00 C ATOM 589 O ALA A 599 2.715 8.720 1.365 1.00 0.00 O ATOM 590 CB ALA A 599 3.682 11.990 1.145 1.00 0.00 C ATOM 0 H ALA A 599 4.300 10.720 3.207 1.00 0.00 H new ATOM 0 HA ALA A 599 1.793 11.602 2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 599 3.247 12.289 0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 599 3.866 12.875 1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 599 4.624 11.470 0.967 1.00 0.00 H new ATOM 596 N LEU A 600 1.748 10.095 -0.128 1.00 0.00 N ATOM 597 CA LEU A 600 1.377 9.019 -1.040 1.00 0.00 C ATOM 598 C LEU A 600 2.572 8.581 -1.882 1.00 0.00 C ATOM 599 O LEU A 600 3.451 9.383 -2.195 1.00 0.00 O ATOM 600 CB LEU A 600 0.232 9.463 -1.951 1.00 0.00 C ATOM 601 CG LEU A 600 -0.276 8.393 -2.919 1.00 0.00 C ATOM 602 CD1 LEU A 600 -1.656 7.909 -2.505 1.00 0.00 C ATOM 603 CD2 LEU A 600 -0.302 8.930 -4.342 1.00 0.00 C ATOM 0 H LEU A 600 1.472 11.026 -0.439 1.00 0.00 H new ATOM 0 HA LEU A 600 1.046 8.170 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.600 9.793 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.561 10.327 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 600 0.409 7.546 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -2.000 7.148 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -1.607 7.483 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 600 -2.352 8.748 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -0.666 8.155 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -0.963 9.795 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 600 0.705 9.225 -4.638 1.00 0.00 H new ATOM 615 N ALA A 601 2.591 7.304 -2.250 1.00 0.00 N ATOM 616 CA ALA A 601 3.671 6.757 -3.062 1.00 0.00 C ATOM 617 C ALA A 601 3.144 6.282 -4.414 1.00 0.00 C ATOM 618 O ALA A 601 2.852 7.097 -5.291 1.00 0.00 O ATOM 619 CB ALA A 601 4.367 5.623 -2.322 1.00 0.00 C ATOM 0 H ALA A 601 1.870 6.628 -1.998 1.00 0.00 H new ATOM 0 HA ALA A 601 4.400 7.546 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.171 5.224 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 601 4.781 5.999 -1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 601 3.648 4.832 -2.108 1.00 0.00 H new ATOM 625 N THR A 602 3.015 4.968 -4.580 1.00 0.00 N ATOM 626 CA THR A 602 2.515 4.407 -5.829 1.00 0.00 C ATOM 627 C THR A 602 0.998 4.241 -5.790 1.00 0.00 C ATOM 628 O THR A 602 0.384 4.256 -4.719 1.00 0.00 O ATOM 629 CB THR A 602 3.172 3.050 -6.150 1.00 0.00 C ATOM 630 OG1 THR A 602 2.686 2.553 -7.401 1.00 0.00 O ATOM 631 CG2 THR A 602 2.890 2.035 -5.055 1.00 0.00 C ATOM 0 H THR A 602 3.249 4.276 -3.868 1.00 0.00 H new ATOM 0 HA THR A 602 2.777 5.113 -6.617 1.00 0.00 H new ATOM 0 HB THR A 602 4.249 3.203 -6.212 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.392 2.040 -7.846 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.365 1.087 -5.307 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.289 2.401 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.814 1.889 -4.963 1.00 0.00 H new ATOM 639 N THR A 603 0.404 4.084 -6.969 1.00 0.00 N ATOM 640 CA THR A 603 -1.040 3.917 -7.088 1.00 0.00 C ATOM 641 C THR A 603 -1.378 2.675 -7.902 1.00 0.00 C ATOM 642 O THR A 603 -1.037 2.584 -9.082 1.00 0.00 O ATOM 643 CB THR A 603 -1.691 5.145 -7.750 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.256 6.343 -7.099 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.209 5.053 -7.693 1.00 0.00 C ATOM 0 H THR A 603 0.903 4.069 -7.859 1.00 0.00 H new ATOM 0 HA THR A 603 -1.435 3.806 -6.078 1.00 0.00 H new ATOM 0 HB THR A 603 -1.384 5.169 -8.796 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.674 7.119 -7.528 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.645 5.932 -8.167 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.539 4.157 -8.218 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.532 5.004 -6.653 1.00 0.00 H new ATOM 653 N VAL A 604 -2.044 1.718 -7.266 1.00 0.00 N ATOM 654 CA VAL A 604 -2.419 0.479 -7.935 1.00 0.00 C ATOM 655 C VAL A 604 -3.920 0.231 -7.851 1.00 0.00 C ATOM 656 O VAL A 604 -4.675 1.077 -7.372 1.00 0.00 O ATOM 657 CB VAL A 604 -1.675 -0.725 -7.332 1.00 0.00 C ATOM 658 CG1 VAL A 604 -0.189 -0.633 -7.640 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.916 -0.806 -5.831 1.00 0.00 C ATOM 0 H VAL A 604 -2.335 1.776 -6.290 1.00 0.00 H new ATOM 0 HA VAL A 604 -2.137 0.589 -8.982 1.00 0.00 H new ATOM 0 HB VAL A 604 -2.063 -1.638 -7.784 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.326 -1.491 -7.208 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -0.041 -0.627 -8.720 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.215 0.285 -7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.382 -1.664 -5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.556 0.106 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.983 -0.918 -5.639 1.00 0.00 H new ATOM 669 N THR A 605 -4.344 -0.937 -8.324 1.00 0.00 N ATOM 670 CA THR A 605 -5.753 -1.308 -8.306 1.00 0.00 C ATOM 671 C THR A 605 -5.927 -2.781 -7.955 1.00 0.00 C ATOM 672 O THR A 605 -7.037 -3.238 -7.681 1.00 0.00 O ATOM 673 CB THR A 605 -6.422 -1.036 -9.667 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.641 -1.610 -10.722 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.581 0.459 -9.905 1.00 0.00 C ATOM 0 H THR A 605 -3.729 -1.644 -8.726 1.00 0.00 H new ATOM 0 HA THR A 605 -6.233 -0.695 -7.543 1.00 0.00 H new ATOM 0 HB THR A 605 -7.411 -1.494 -9.656 1.00 0.00 H new ATOM 0 HG1 THR A 605 -6.075 -1.434 -11.583 1.00 0.00 H new ATOM 0 HG21 THR A 605 -7.056 0.625 -10.872 1.00 0.00 H new ATOM 0 HG22 THR A 605 -7.201 0.889 -9.118 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.601 0.935 -9.895 1.00 0.00 H new ATOM 683 N GLY A 606 -4.822 -3.522 -7.970 1.00 0.00 N ATOM 684 CA GLY A 606 -4.870 -4.939 -7.655 1.00 0.00 C ATOM 685 C GLY A 606 -4.424 -5.237 -6.236 1.00 0.00 C ATOM 686 O GLY A 606 -4.742 -4.493 -5.309 1.00 0.00 O ATOM 0 H GLY A 606 -3.893 -3.165 -8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.887 -5.305 -7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -4.235 -5.484 -8.353 1.00 0.00 H new ATOM 690 N THR A 607 -3.687 -6.332 -6.067 1.00 0.00 N ATOM 691 CA THR A 607 -3.197 -6.731 -4.752 1.00 0.00 C ATOM 692 C THR A 607 -1.680 -6.599 -4.662 1.00 0.00 C ATOM 693 O THR A 607 -1.029 -7.317 -3.903 1.00 0.00 O ATOM 694 CB THR A 607 -3.596 -8.182 -4.420 1.00 0.00 C ATOM 695 OG1 THR A 607 -3.680 -8.954 -5.625 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.930 -8.223 -3.691 1.00 0.00 C ATOM 0 H THR A 607 -3.416 -6.958 -6.825 1.00 0.00 H new ATOM 0 HA THR A 607 -3.659 -6.059 -4.028 1.00 0.00 H new ATOM 0 HB THR A 607 -2.832 -8.607 -3.769 1.00 0.00 H new ATOM 0 HG1 THR A 607 -3.932 -9.875 -5.406 1.00 0.00 H new ATOM 0 HG21 THR A 607 -5.191 -9.257 -3.467 1.00 0.00 H new ATOM 0 HG22 THR A 607 -4.854 -7.659 -2.762 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.703 -7.782 -4.321 1.00 0.00 H new ATOM 704 N THR A 608 -1.124 -5.677 -5.441 1.00 0.00 N ATOM 705 CA THR A 608 0.317 -5.448 -5.448 1.00 0.00 C ATOM 706 C THR A 608 0.636 -3.995 -5.776 1.00 0.00 C ATOM 707 O THR A 608 -0.140 -3.319 -6.447 1.00 0.00 O ATOM 708 CB THR A 608 1.026 -6.359 -6.467 1.00 0.00 C ATOM 709 OG1 THR A 608 0.106 -6.763 -7.488 1.00 0.00 O ATOM 710 CG2 THR A 608 1.602 -7.590 -5.782 1.00 0.00 C ATOM 0 H THR A 608 -1.649 -5.076 -6.076 1.00 0.00 H new ATOM 0 HA THR A 608 0.681 -5.683 -4.448 1.00 0.00 H new ATOM 0 HB THR A 608 1.843 -5.796 -6.917 1.00 0.00 H new ATOM 0 HG1 THR A 608 0.566 -7.341 -8.133 1.00 0.00 H new ATOM 0 HG21 THR A 608 2.098 -8.219 -6.521 1.00 0.00 H new ATOM 0 HG22 THR A 608 2.323 -7.281 -5.025 1.00 0.00 H new ATOM 0 HG23 THR A 608 0.798 -8.153 -5.308 1.00 0.00 H new ATOM 718 N ALA A 609 1.783 -3.521 -5.298 1.00 0.00 N ATOM 719 CA ALA A 609 2.205 -2.145 -5.539 1.00 0.00 C ATOM 720 C ALA A 609 3.690 -2.080 -5.882 1.00 0.00 C ATOM 721 O ALA A 609 4.494 -2.843 -5.345 1.00 0.00 O ATOM 722 CB ALA A 609 1.903 -1.281 -4.325 1.00 0.00 C ATOM 0 H ALA A 609 2.437 -4.070 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 609 1.644 -1.762 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.223 -0.257 -4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.831 -1.295 -4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.438 -1.671 -3.459 1.00 0.00 H new ATOM 728 N THR A 610 4.046 -1.167 -6.780 1.00 0.00 N ATOM 729 CA THR A 610 5.434 -1.004 -7.196 1.00 0.00 C ATOM 730 C THR A 610 5.924 0.418 -6.944 1.00 0.00 C ATOM 731 O THR A 610 5.489 1.361 -7.606 1.00 0.00 O ATOM 732 CB THR A 610 5.612 -1.337 -8.690 1.00 0.00 C ATOM 733 OG1 THR A 610 5.087 -2.640 -8.968 1.00 0.00 O ATOM 734 CG2 THR A 610 7.080 -1.282 -9.086 1.00 0.00 C ATOM 0 H THR A 610 3.392 -0.529 -7.233 1.00 0.00 H new ATOM 0 HA THR A 610 6.026 -1.699 -6.600 1.00 0.00 H new ATOM 0 HB THR A 610 5.067 -0.594 -9.272 1.00 0.00 H new ATOM 0 HG1 THR A 610 5.203 -2.843 -9.920 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.180 -1.521 -10.145 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.469 -0.281 -8.901 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.643 -2.005 -8.496 1.00 0.00 H new ATOM 742 N ILE A 611 6.834 0.564 -5.986 1.00 0.00 N ATOM 743 CA ILE A 611 7.385 1.871 -5.649 1.00 0.00 C ATOM 744 C ILE A 611 8.808 2.018 -6.183 1.00 0.00 C ATOM 745 O ILE A 611 9.691 1.227 -5.850 1.00 0.00 O ATOM 746 CB ILE A 611 7.389 2.106 -4.125 1.00 0.00 C ATOM 747 CG1 ILE A 611 5.980 1.935 -3.559 1.00 0.00 C ATOM 748 CG2 ILE A 611 7.930 3.491 -3.800 1.00 0.00 C ATOM 749 CD1 ILE A 611 5.846 0.759 -2.616 1.00 0.00 C ATOM 0 H ILE A 611 7.205 -0.206 -5.430 1.00 0.00 H new ATOM 0 HA ILE A 611 6.744 2.617 -6.118 1.00 0.00 H new ATOM 0 HB ILE A 611 8.041 1.366 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 611 5.695 2.846 -3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.278 1.811 -4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 611 7.925 3.639 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 611 8.950 3.580 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.303 4.247 -4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 611 4.820 0.699 -2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.099 -0.161 -3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.522 0.891 -1.771 1.00 0.00 H new ATOM 761 N SER A 612 9.020 3.035 -7.012 1.00 0.00 N ATOM 762 CA SER A 612 10.333 3.287 -7.593 1.00 0.00 C ATOM 763 C SER A 612 10.871 4.644 -7.151 1.00 0.00 C ATOM 764 O SER A 612 10.152 5.441 -6.547 1.00 0.00 O ATOM 765 CB SER A 612 10.258 3.228 -9.120 1.00 0.00 C ATOM 766 OG SER A 612 11.549 3.104 -9.690 1.00 0.00 O ATOM 0 H SER A 612 8.299 3.698 -7.296 1.00 0.00 H new ATOM 0 HA SER A 612 11.014 2.513 -7.240 1.00 0.00 H new ATOM 0 HB2 SER A 612 9.640 2.383 -9.424 1.00 0.00 H new ATOM 0 HB3 SER A 612 9.775 4.129 -9.498 1.00 0.00 H new ATOM 0 HG SER A 612 11.473 3.067 -10.666 1.00 0.00 H new ATOM 772 N GLY A 613 12.140 4.901 -7.454 1.00 0.00 N ATOM 773 CA GLY A 613 12.752 6.161 -7.077 1.00 0.00 C ATOM 774 C GLY A 613 13.115 6.209 -5.607 1.00 0.00 C ATOM 775 O GLY A 613 12.732 7.139 -4.896 1.00 0.00 O ATOM 0 H GLY A 613 12.755 4.259 -7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 613 13.649 6.320 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.067 6.978 -7.306 1.00 0.00 H new ATOM 779 N LEU A 614 13.852 5.202 -5.150 1.00 0.00 N ATOM 780 CA LEU A 614 14.267 5.128 -3.753 1.00 0.00 C ATOM 781 C LEU A 614 15.786 5.060 -3.639 1.00 0.00 C ATOM 782 O LEU A 614 16.478 4.740 -4.605 1.00 0.00 O ATOM 783 CB LEU A 614 13.635 3.908 -3.076 1.00 0.00 C ATOM 784 CG LEU A 614 12.108 3.878 -3.089 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.599 2.445 -3.142 1.00 0.00 C ATOM 786 CD2 LEU A 614 11.563 4.591 -1.868 1.00 0.00 C ATOM 0 H LEU A 614 14.175 4.425 -5.727 1.00 0.00 H new ATOM 0 HA LEU A 614 13.925 6.032 -3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 614 14.005 3.008 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 614 13.975 3.870 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 614 11.758 4.395 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.509 2.446 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 614 11.968 1.961 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 614 11.954 1.900 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.474 4.564 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 614 11.923 4.095 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 614 11.900 5.628 -1.871 1.00 0.00 H new ATOM 798 N ALA A 615 16.298 5.364 -2.450 1.00 0.00 N ATOM 799 CA ALA A 615 17.734 5.340 -2.204 1.00 0.00 C ATOM 800 C ALA A 615 18.126 4.138 -1.350 1.00 0.00 C ATOM 801 O ALA A 615 17.294 3.566 -0.646 1.00 0.00 O ATOM 802 CB ALA A 615 18.177 6.633 -1.535 1.00 0.00 C ATOM 0 H ALA A 615 15.737 5.630 -1.641 1.00 0.00 H new ATOM 0 HA ALA A 615 18.240 5.249 -3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.252 6.601 -1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 615 17.941 7.477 -2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.655 6.748 -0.585 1.00 0.00 H new ATOM 808 N ALA A 616 19.399 3.761 -1.420 1.00 0.00 N ATOM 809 CA ALA A 616 19.906 2.627 -0.655 1.00 0.00 C ATOM 810 C ALA A 616 20.314 3.048 0.753 1.00 0.00 C ATOM 811 O ALA A 616 20.469 4.236 1.036 1.00 0.00 O ATOM 812 CB ALA A 616 21.085 1.992 -1.379 1.00 0.00 C ATOM 0 H ALA A 616 20.099 4.225 -1.999 1.00 0.00 H new ATOM 0 HA ALA A 616 19.105 1.893 -0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.456 1.147 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.765 1.646 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.880 2.729 -1.495 1.00 0.00 H new ATOM 818 N ASP A 617 20.489 2.062 1.631 1.00 0.00 N ATOM 819 CA ASP A 617 20.883 2.319 3.014 1.00 0.00 C ATOM 820 C ASP A 617 19.908 3.274 3.698 1.00 0.00 C ATOM 821 O ASP A 617 20.318 4.182 4.423 1.00 0.00 O ATOM 822 CB ASP A 617 22.301 2.892 3.063 1.00 0.00 C ATOM 823 CG ASP A 617 22.905 2.828 4.453 1.00 0.00 C ATOM 824 OD1 ASP A 617 22.445 1.996 5.264 1.00 0.00 O ATOM 825 OD2 ASP A 617 23.837 3.611 4.732 1.00 0.00 O ATOM 0 H ASP A 617 20.364 1.075 1.408 1.00 0.00 H new ATOM 0 HA ASP A 617 20.862 1.371 3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.936 2.342 2.369 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.283 3.928 2.726 1.00 0.00 H new ATOM 830 N THR A 618 18.617 3.065 3.462 1.00 0.00 N ATOM 831 CA THR A 618 17.589 3.910 4.056 1.00 0.00 C ATOM 832 C THR A 618 16.379 3.090 4.495 1.00 0.00 C ATOM 833 O THR A 618 15.945 2.179 3.789 1.00 0.00 O ATOM 834 CB THR A 618 17.124 4.999 3.072 1.00 0.00 C ATOM 835 OG1 THR A 618 18.243 5.500 2.331 1.00 0.00 O ATOM 836 CG2 THR A 618 16.447 6.144 3.808 1.00 0.00 C ATOM 0 H THR A 618 18.259 2.319 2.865 1.00 0.00 H new ATOM 0 HA THR A 618 18.037 4.382 4.930 1.00 0.00 H new ATOM 0 HB THR A 618 16.403 4.552 2.387 1.00 0.00 H new ATOM 0 HG1 THR A 618 17.939 6.191 1.706 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.128 6.900 3.090 1.00 0.00 H new ATOM 0 HG22 THR A 618 15.578 5.767 4.348 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.148 6.588 4.514 1.00 0.00 H new ATOM 844 N SER A 619 15.833 3.428 5.660 1.00 0.00 N ATOM 845 CA SER A 619 14.665 2.733 6.188 1.00 0.00 C ATOM 846 C SER A 619 13.394 3.278 5.549 1.00 0.00 C ATOM 847 O SER A 619 13.240 4.490 5.396 1.00 0.00 O ATOM 848 CB SER A 619 14.593 2.885 7.710 1.00 0.00 C ATOM 849 OG SER A 619 14.818 1.645 8.359 1.00 0.00 O ATOM 0 H SER A 619 16.181 4.179 6.256 1.00 0.00 H new ATOM 0 HA SER A 619 14.756 1.674 5.947 1.00 0.00 H new ATOM 0 HB2 SER A 619 15.335 3.612 8.041 1.00 0.00 H new ATOM 0 HB3 SER A 619 13.615 3.275 7.994 1.00 0.00 H new ATOM 0 HG SER A 619 14.768 1.770 9.330 1.00 0.00 H new ATOM 855 N TYR A 620 12.488 2.384 5.167 1.00 0.00 N ATOM 856 CA TYR A 620 11.242 2.797 4.534 1.00 0.00 C ATOM 857 C TYR A 620 10.043 2.044 5.102 1.00 0.00 C ATOM 858 O TYR A 620 9.951 0.823 4.988 1.00 0.00 O ATOM 859 CB TYR A 620 11.318 2.574 3.022 1.00 0.00 C ATOM 860 CG TYR A 620 12.232 3.544 2.305 1.00 0.00 C ATOM 861 CD1 TYR A 620 11.948 4.903 2.269 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.379 3.096 1.658 1.00 0.00 C ATOM 863 CE1 TYR A 620 12.780 5.790 1.611 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.216 3.976 0.999 1.00 0.00 C ATOM 865 CZ TYR A 620 13.912 5.321 0.978 1.00 0.00 C ATOM 866 OH TYR A 620 14.743 6.200 0.321 1.00 0.00 O ATOM 0 H TYR A 620 12.592 1.376 5.284 1.00 0.00 H new ATOM 0 HA TYR A 620 11.105 3.858 4.743 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.662 1.557 2.831 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.316 2.656 2.602 1.00 0.00 H new ATOM 0 HD1 TYR A 620 11.062 5.273 2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.619 2.043 1.671 1.00 0.00 H new ATOM 0 HE1 TYR A 620 12.545 6.844 1.593 1.00 0.00 H new ATOM 0 HE2 TYR A 620 15.104 3.612 0.503 1.00 0.00 H new ATOM 0 HH TYR A 620 15.663 5.864 0.349 1.00 0.00 H new ATOM 876 N THR A 621 9.116 2.791 5.693 1.00 0.00 N ATOM 877 CA THR A 621 7.905 2.210 6.259 1.00 0.00 C ATOM 878 C THR A 621 6.722 2.479 5.339 1.00 0.00 C ATOM 879 O THR A 621 6.254 3.613 5.231 1.00 0.00 O ATOM 880 CB THR A 621 7.601 2.779 7.657 1.00 0.00 C ATOM 881 OG1 THR A 621 8.527 3.825 7.973 1.00 0.00 O ATOM 882 CG2 THR A 621 7.681 1.688 8.714 1.00 0.00 C ATOM 0 H THR A 621 9.182 3.804 5.792 1.00 0.00 H new ATOM 0 HA THR A 621 8.068 1.137 6.355 1.00 0.00 H new ATOM 0 HB THR A 621 6.588 3.182 7.649 1.00 0.00 H new ATOM 0 HG1 THR A 621 8.325 4.182 8.863 1.00 0.00 H new ATOM 0 HG21 THR A 621 7.463 2.114 9.693 1.00 0.00 H new ATOM 0 HG22 THR A 621 6.955 0.908 8.487 1.00 0.00 H new ATOM 0 HG23 THR A 621 8.683 1.260 8.720 1.00 0.00 H new ATOM 890 N PHE A 622 6.256 1.439 4.655 1.00 0.00 N ATOM 891 CA PHE A 622 5.146 1.579 3.720 1.00 0.00 C ATOM 892 C PHE A 622 3.823 1.133 4.332 1.00 0.00 C ATOM 893 O PHE A 622 3.789 0.390 5.313 1.00 0.00 O ATOM 894 CB PHE A 622 5.418 0.769 2.453 1.00 0.00 C ATOM 895 CG PHE A 622 6.680 1.165 1.740 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.737 2.335 1.000 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.809 0.363 1.808 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.897 2.698 0.340 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.970 0.721 1.151 1.00 0.00 C ATOM 900 CZ PHE A 622 9.015 1.890 0.416 1.00 0.00 C ATOM 0 H PHE A 622 6.629 0.493 4.730 1.00 0.00 H new ATOM 0 HA PHE A 622 5.064 2.638 3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.475 -0.288 2.714 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.575 0.884 1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.866 2.971 0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.780 -0.552 2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.929 3.612 -0.234 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.842 0.087 1.212 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.922 2.172 -0.098 1.00 0.00 H new ATOM 910 N THR A 623 2.735 1.594 3.722 1.00 0.00 N ATOM 911 CA THR A 623 1.389 1.258 4.165 1.00 0.00 C ATOM 912 C THR A 623 0.433 1.281 2.978 1.00 0.00 C ATOM 913 O THR A 623 0.668 1.991 2.003 1.00 0.00 O ATOM 914 CB THR A 623 0.885 2.240 5.239 1.00 0.00 C ATOM 915 OG1 THR A 623 1.260 3.580 4.895 1.00 0.00 O ATOM 916 CG2 THR A 623 1.450 1.887 6.607 1.00 0.00 C ATOM 0 H THR A 623 2.763 2.209 2.909 1.00 0.00 H new ATOM 0 HA THR A 623 1.423 0.259 4.601 1.00 0.00 H new ATOM 0 HB THR A 623 -0.202 2.166 5.282 1.00 0.00 H new ATOM 0 HG1 THR A 623 0.934 4.198 5.582 1.00 0.00 H new ATOM 0 HG21 THR A 623 1.079 2.595 7.348 1.00 0.00 H new ATOM 0 HG22 THR A 623 1.138 0.879 6.881 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.539 1.933 6.574 1.00 0.00 H new ATOM 924 N VAL A 624 -0.641 0.503 3.056 1.00 0.00 N ATOM 925 CA VAL A 624 -1.614 0.452 1.970 1.00 0.00 C ATOM 926 C VAL A 624 -2.959 1.023 2.399 1.00 0.00 C ATOM 927 O VAL A 624 -3.307 1.002 3.578 1.00 0.00 O ATOM 928 CB VAL A 624 -1.815 -0.981 1.443 1.00 0.00 C ATOM 929 CG1 VAL A 624 -1.112 -1.151 0.105 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.319 -2.007 2.451 1.00 0.00 C ATOM 0 H VAL A 624 -0.859 -0.096 3.852 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.206 1.064 1.166 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.882 -1.149 1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.261 -2.168 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.525 -0.445 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 624 -0.046 -0.962 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.473 -3.011 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.257 -1.849 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -1.872 -1.897 3.384 1.00 0.00 H new ATOM 940 N LYS A 625 -3.707 1.539 1.429 1.00 0.00 N ATOM 941 CA LYS A 625 -5.011 2.128 1.700 1.00 0.00 C ATOM 942 C LYS A 625 -6.017 1.765 0.612 1.00 0.00 C ATOM 943 O LYS A 625 -5.651 1.584 -0.550 1.00 0.00 O ATOM 944 CB LYS A 625 -4.881 3.643 1.814 1.00 0.00 C ATOM 945 CG LYS A 625 -4.709 4.121 3.243 1.00 0.00 C ATOM 946 CD LYS A 625 -5.841 5.042 3.649 1.00 0.00 C ATOM 947 CE LYS A 625 -5.517 5.797 4.926 1.00 0.00 C ATOM 948 NZ LYS A 625 -6.447 6.938 5.148 1.00 0.00 N ATOM 0 H LYS A 625 -3.431 1.561 0.447 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.379 1.726 2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.028 3.974 1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -5.767 4.111 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.675 3.264 3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -3.757 4.643 3.343 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.039 5.752 2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -6.751 4.460 3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -5.570 5.115 5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -4.493 6.167 4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -6.203 7.417 6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -6.365 7.611 4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -7.424 6.584 5.202 1.00 0.00 H new ATOM 962 N ALA A 626 -7.285 1.661 0.998 1.00 0.00 N ATOM 963 CA ALA A 626 -8.345 1.319 0.056 1.00 0.00 C ATOM 964 C ALA A 626 -9.223 2.529 -0.246 1.00 0.00 C ATOM 965 O ALA A 626 -9.553 3.307 0.648 1.00 0.00 O ATOM 966 CB ALA A 626 -9.187 0.177 0.604 1.00 0.00 C ATOM 0 H ALA A 626 -7.603 1.809 1.956 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.880 0.999 -0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.975 -0.069 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.555 -0.697 0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.635 0.477 1.551 1.00 0.00 H new ATOM 972 N LYS A 627 -9.595 2.680 -1.512 1.00 0.00 N ATOM 973 CA LYS A 627 -10.433 3.797 -1.932 1.00 0.00 C ATOM 974 C LYS A 627 -11.587 3.316 -2.805 1.00 0.00 C ATOM 975 O LYS A 627 -11.465 2.323 -3.522 1.00 0.00 O ATOM 976 CB LYS A 627 -9.600 4.830 -2.692 1.00 0.00 C ATOM 977 CG LYS A 627 -8.905 4.266 -3.921 1.00 0.00 C ATOM 978 CD LYS A 627 -9.548 4.770 -5.202 1.00 0.00 C ATOM 979 CE LYS A 627 -8.591 5.640 -6.000 1.00 0.00 C ATOM 980 NZ LYS A 627 -8.504 5.211 -7.424 1.00 0.00 N ATOM 0 H LYS A 627 -9.330 2.044 -2.264 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.848 4.262 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.247 5.653 -2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -8.850 5.246 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.852 4.546 -3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -8.945 3.177 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -9.864 3.922 -5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -10.445 5.341 -4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -8.920 6.678 -5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -7.600 5.599 -5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -7.841 5.830 -7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -8.166 4.229 -7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -9.444 5.275 -7.864 1.00 0.00 H new ATOM 994 N ASP A 628 -12.706 4.030 -2.740 1.00 0.00 N ATOM 995 CA ASP A 628 -13.882 3.681 -3.526 1.00 0.00 C ATOM 996 C ASP A 628 -14.176 4.753 -4.568 1.00 0.00 C ATOM 997 O ASP A 628 -13.582 5.832 -4.548 1.00 0.00 O ATOM 998 CB ASP A 628 -15.095 3.497 -2.612 1.00 0.00 C ATOM 999 CG ASP A 628 -14.951 2.300 -1.690 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -13.963 1.551 -1.842 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -15.825 2.112 -0.817 1.00 0.00 O ATOM 0 H ASP A 628 -12.822 4.854 -2.150 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.678 2.743 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.235 4.397 -2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -15.990 3.376 -3.222 1.00 0.00 H new ATOM 1006 N ALA A 629 -15.095 4.451 -5.479 1.00 0.00 N ATOM 1007 CA ALA A 629 -15.467 5.389 -6.529 1.00 0.00 C ATOM 1008 C ALA A 629 -16.476 6.415 -6.019 1.00 0.00 C ATOM 1009 O ALA A 629 -17.016 7.206 -6.791 1.00 0.00 O ATOM 1010 CB ALA A 629 -16.029 4.640 -7.728 1.00 0.00 C ATOM 0 H ALA A 629 -15.596 3.563 -5.510 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.570 5.926 -6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -16.303 5.352 -8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -15.275 3.953 -8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.911 4.077 -7.424 1.00 0.00 H new ATOM 1016 N ALA A 630 -16.719 6.396 -4.711 1.00 0.00 N ATOM 1017 CA ALA A 630 -17.659 7.326 -4.095 1.00 0.00 C ATOM 1018 C ALA A 630 -16.923 8.433 -3.350 1.00 0.00 C ATOM 1019 O ALA A 630 -17.525 9.424 -2.938 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.594 6.584 -3.150 1.00 0.00 C ATOM 0 H ALA A 630 -16.278 5.747 -4.059 1.00 0.00 H new ATOM 0 HA ALA A 630 -18.250 7.785 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.290 7.291 -2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -19.152 5.831 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.010 6.098 -2.368 1.00 0.00 H new ATOM 1026 N GLY A 631 -15.616 8.255 -3.178 1.00 0.00 N ATOM 1027 CA GLY A 631 -14.817 9.245 -2.480 1.00 0.00 C ATOM 1028 C GLY A 631 -14.525 8.847 -1.046 1.00 0.00 C ATOM 1029 O GLY A 631 -14.106 9.677 -0.238 1.00 0.00 O ATOM 0 H GLY A 631 -15.097 7.442 -3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -13.877 9.390 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -15.339 10.202 -2.489 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.748 7.574 -0.731 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.508 7.065 0.616 1.00 0.00 C ATOM 1035 C ASN A 632 -13.142 6.392 0.707 1.00 0.00 C ATOM 1036 O ASN A 632 -12.714 5.705 -0.220 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.605 6.075 1.013 1.00 0.00 C ATOM 1038 CG ASN A 632 -16.921 6.356 0.312 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -17.536 5.456 -0.259 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -17.357 7.609 0.351 1.00 0.00 N ATOM 0 H ASN A 632 -15.094 6.876 -1.390 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.524 7.909 1.305 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.279 5.062 0.776 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.755 6.117 2.092 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -18.235 7.858 -0.104 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -16.814 8.323 0.836 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.462 6.597 1.833 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.143 6.013 2.049 1.00 0.00 C ATOM 1049 C VAL A 633 -11.046 5.383 3.437 1.00 0.00 C ATOM 1050 O VAL A 633 -11.372 6.018 4.440 1.00 0.00 O ATOM 1051 CB VAL A 633 -10.031 7.073 1.889 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -8.734 6.610 2.540 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -9.804 7.392 0.419 1.00 0.00 C ATOM 0 H VAL A 633 -12.804 7.163 2.609 1.00 0.00 H new ATOM 0 HA VAL A 633 -11.004 5.239 1.294 1.00 0.00 H new ATOM 0 HB VAL A 633 -10.358 7.981 2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -7.969 7.376 2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -8.902 6.439 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -8.402 5.684 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -9.017 8.141 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -9.506 6.486 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -10.726 7.779 -0.016 1.00 0.00 H new ATOM 1063 N SER A 634 -10.594 4.133 3.484 1.00 0.00 N ATOM 1064 CA SER A 634 -10.447 3.419 4.748 1.00 0.00 C ATOM 1065 C SER A 634 -9.187 3.868 5.480 1.00 0.00 C ATOM 1066 O SER A 634 -8.532 4.827 5.071 1.00 0.00 O ATOM 1067 CB SER A 634 -10.400 1.910 4.504 1.00 0.00 C ATOM 1068 OG SER A 634 -11.259 1.222 5.397 1.00 0.00 O ATOM 0 H SER A 634 -10.323 3.594 2.661 1.00 0.00 H new ATOM 0 HA SER A 634 -11.311 3.651 5.371 1.00 0.00 H new ATOM 0 HB2 SER A 634 -10.692 1.695 3.476 1.00 0.00 H new ATOM 0 HB3 SER A 634 -9.379 1.550 4.627 1.00 0.00 H new ATOM 0 HG SER A 634 -12.148 1.136 4.994 1.00 0.00 H new ATOM 1074 N ALA A 635 -8.849 3.171 6.559 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.664 3.502 7.340 1.00 0.00 C ATOM 1076 C ALA A 635 -6.406 2.941 6.685 1.00 0.00 C ATOM 1077 O ALA A 635 -6.480 2.244 5.673 1.00 0.00 O ATOM 1078 CB ALA A 635 -7.802 2.978 8.762 1.00 0.00 C ATOM 0 H ALA A 635 -9.379 2.374 6.912 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.573 4.588 7.376 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -6.909 3.233 9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -8.675 3.430 9.233 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -7.921 1.895 8.741 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.252 3.251 7.266 1.00 0.00 N ATOM 1085 CA ALA A 636 -3.979 2.776 6.736 1.00 0.00 C ATOM 1086 C ALA A 636 -3.594 1.434 7.353 1.00 0.00 C ATOM 1087 O ALA A 636 -3.690 1.247 8.566 1.00 0.00 O ATOM 1088 CB ALA A 636 -2.887 3.806 6.982 1.00 0.00 C ATOM 0 H ALA A 636 -5.172 3.828 8.103 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.091 2.633 5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -1.943 3.438 6.581 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.151 4.741 6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -2.784 3.978 8.053 1.00 0.00 H new ATOM 1094 N SER A 637 -3.156 0.504 6.507 1.00 0.00 N ATOM 1095 CA SER A 637 -2.753 -0.823 6.962 1.00 0.00 C ATOM 1096 C SER A 637 -1.509 -0.749 7.841 1.00 0.00 C ATOM 1097 O SER A 637 -0.978 0.333 8.093 1.00 0.00 O ATOM 1098 CB SER A 637 -2.486 -1.731 5.769 1.00 0.00 C ATOM 1099 OG SER A 637 -2.537 -3.098 6.143 1.00 0.00 O ATOM 0 H SER A 637 -3.071 0.646 5.501 1.00 0.00 H new ATOM 0 HA SER A 637 -3.570 -1.236 7.554 1.00 0.00 H new ATOM 0 HB2 SER A 637 -3.222 -1.537 4.989 1.00 0.00 H new ATOM 0 HB3 SER A 637 -1.507 -1.503 5.347 1.00 0.00 H new ATOM 0 HG SER A 637 -3.427 -3.307 6.497 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.047 -1.908 8.303 1.00 0.00 N ATOM 1106 CA ASN A 638 0.136 -1.977 9.152 1.00 0.00 C ATOM 1107 C ASN A 638 1.351 -1.396 8.433 1.00 0.00 C ATOM 1108 O ASN A 638 1.342 -1.233 7.213 1.00 0.00 O ATOM 1109 CB ASN A 638 0.409 -3.425 9.566 1.00 0.00 C ATOM 1110 CG ASN A 638 1.274 -4.165 8.564 1.00 0.00 C ATOM 1111 OD1 ASN A 638 2.492 -4.255 8.723 1.00 0.00 O ATOM 1112 ND2 ASN A 638 0.647 -4.699 7.524 1.00 0.00 N ATOM 0 H ASN A 638 -1.475 -2.812 8.103 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.050 -1.384 10.048 1.00 0.00 H new ATOM 0 HB2 ASN A 638 0.899 -3.434 10.540 1.00 0.00 H new ATOM 0 HB3 ASN A 638 -0.539 -3.951 9.681 1.00 0.00 H new ATOM 0 HD21 ASN A 638 1.176 -5.209 6.816 1.00 0.00 H new ATOM 0 HD22 ASN A 638 -0.364 -4.600 7.432 1.00 0.00 H new ATOM 1119 N ALA A 639 2.391 -1.083 9.197 1.00 0.00 N ATOM 1120 CA ALA A 639 3.609 -0.514 8.631 1.00 0.00 C ATOM 1121 C ALA A 639 4.660 -1.588 8.379 1.00 0.00 C ATOM 1122 O ALA A 639 4.984 -2.376 9.267 1.00 0.00 O ATOM 1123 CB ALA A 639 4.164 0.559 9.554 1.00 0.00 C ATOM 0 H ALA A 639 2.416 -1.213 10.208 1.00 0.00 H new ATOM 0 HA ALA A 639 3.355 -0.064 7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 639 5.073 0.977 9.121 1.00 0.00 H new ATOM 0 HB2 ALA A 639 3.425 1.350 9.678 1.00 0.00 H new ATOM 0 HB3 ALA A 639 4.393 0.121 10.525 1.00 0.00 H new ATOM 1129 N VAL A 640 5.198 -1.606 7.162 1.00 0.00 N ATOM 1130 CA VAL A 640 6.221 -2.575 6.789 1.00 0.00 C ATOM 1131 C VAL A 640 7.599 -1.921 6.757 1.00 0.00 C ATOM 1132 O VAL A 640 7.916 -1.161 5.841 1.00 0.00 O ATOM 1133 CB VAL A 640 5.932 -3.209 5.413 1.00 0.00 C ATOM 1134 CG1 VAL A 640 4.894 -4.313 5.539 1.00 0.00 C ATOM 1135 CG2 VAL A 640 5.480 -2.152 4.418 1.00 0.00 C ATOM 0 H VAL A 640 4.941 -0.958 6.417 1.00 0.00 H new ATOM 0 HA VAL A 640 6.205 -3.360 7.545 1.00 0.00 H new ATOM 0 HB VAL A 640 6.855 -3.652 5.040 1.00 0.00 H new ATOM 0 HG11 VAL A 640 4.704 -4.748 4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 640 5.265 -5.086 6.212 1.00 0.00 H new ATOM 0 HG13 VAL A 640 3.968 -3.898 5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 640 5.282 -2.621 3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 640 4.571 -1.674 4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 640 6.263 -1.403 4.303 1.00 0.00 H new ATOM 1145 N SER A 641 8.412 -2.216 7.766 1.00 0.00 N ATOM 1146 CA SER A 641 9.755 -1.653 7.854 1.00 0.00 C ATOM 1147 C SER A 641 10.745 -2.477 7.039 1.00 0.00 C ATOM 1148 O SER A 641 11.265 -3.487 7.513 1.00 0.00 O ATOM 1149 CB SER A 641 10.208 -1.585 9.314 1.00 0.00 C ATOM 1150 OG SER A 641 9.421 -0.665 10.050 1.00 0.00 O ATOM 0 H SER A 641 8.165 -2.841 8.533 1.00 0.00 H new ATOM 0 HA SER A 641 9.726 -0.644 7.443 1.00 0.00 H new ATOM 0 HB2 SER A 641 10.136 -2.574 9.767 1.00 0.00 H new ATOM 0 HB3 SER A 641 11.256 -1.289 9.359 1.00 0.00 H new ATOM 0 HG SER A 641 9.729 -0.641 10.980 1.00 0.00 H new ATOM 1156 N VAL A 642 10.999 -2.039 5.810 1.00 0.00 N ATOM 1157 CA VAL A 642 11.926 -2.736 4.927 1.00 0.00 C ATOM 1158 C VAL A 642 13.158 -1.884 4.647 1.00 0.00 C ATOM 1159 O VAL A 642 13.048 -0.734 4.221 1.00 0.00 O ATOM 1160 CB VAL A 642 11.258 -3.110 3.590 1.00 0.00 C ATOM 1161 CG1 VAL A 642 10.448 -4.388 3.737 1.00 0.00 C ATOM 1162 CG2 VAL A 642 10.382 -1.971 3.092 1.00 0.00 C ATOM 0 H VAL A 642 10.576 -1.205 5.403 1.00 0.00 H new ATOM 0 HA VAL A 642 12.226 -3.650 5.440 1.00 0.00 H new ATOM 0 HB VAL A 642 12.041 -3.285 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 642 9.984 -4.636 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.105 -5.202 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 642 9.674 -4.243 4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 642 9.919 -2.254 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 642 9.606 -1.761 3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 642 10.993 -1.080 2.944 1.00 0.00 H new ATOM 1172 N LYS A 643 14.332 -2.458 4.891 1.00 0.00 N ATOM 1173 CA LYS A 643 15.589 -1.755 4.668 1.00 0.00 C ATOM 1174 C LYS A 643 16.054 -1.915 3.225 1.00 0.00 C ATOM 1175 O LYS A 643 15.866 -2.968 2.616 1.00 0.00 O ATOM 1176 CB LYS A 643 16.665 -2.278 5.623 1.00 0.00 C ATOM 1177 CG LYS A 643 16.596 -1.665 7.012 1.00 0.00 C ATOM 1178 CD LYS A 643 17.488 -2.408 7.993 1.00 0.00 C ATOM 1179 CE LYS A 643 18.901 -1.849 7.991 1.00 0.00 C ATOM 1180 NZ LYS A 643 19.920 -2.909 7.755 1.00 0.00 N ATOM 0 H LYS A 643 14.438 -3.409 5.244 1.00 0.00 H new ATOM 0 HA LYS A 643 15.423 -0.695 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 643 16.569 -3.360 5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 643 17.647 -2.078 5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 643 16.898 -0.619 6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 643 15.566 -1.684 7.369 1.00 0.00 H new ATOM 0 HD2 LYS A 643 17.068 -2.335 8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 643 17.514 -3.466 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 643 18.987 -1.085 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 643 19.099 -1.361 8.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 20.870 -2.485 7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 19.856 -3.626 8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 19.747 -3.357 6.833 1.00 0.00 H new ATOM 1194 N THR A 644 16.664 -0.865 2.685 1.00 0.00 N ATOM 1195 CA THR A 644 17.160 -0.892 1.314 1.00 0.00 C ATOM 1196 C THR A 644 18.676 -0.741 1.276 1.00 0.00 C ATOM 1197 O THR A 644 19.232 -0.641 0.163 1.00 0.00 O ATOM 1198 CB THR A 644 16.523 0.219 0.460 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.611 1.475 1.141 1.00 0.00 O ATOM 1200 CG2 THR A 644 15.067 -0.099 0.156 1.00 0.00 C ATOM 1201 OXT THR A 644 19.294 -0.721 2.362 1.00 0.00 O ATOM 0 H THR A 644 16.827 0.014 3.175 1.00 0.00 H new ATOM 0 HA THR A 644 16.882 -1.860 0.898 1.00 0.00 H new ATOM 0 HB THR A 644 17.069 0.280 -0.481 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.833 2.181 0.498 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.639 0.700 -0.448 1.00 0.00 H new ATOM 0 HG22 THR A 644 15.007 -1.040 -0.391 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.511 -0.186 1.089 1.00 0.00 H new