USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=33 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 -150:sc= 0.0141 USER MOD Set 1.2: A 584 THR OG1 : rot 180:sc= -0.0214 USER MOD Set 2.1: A 583 SER OG : rot 150:sc= 0.043 USER MOD Set 2.2: A 592 TYR OH : rot 0:sc= -0.0715 USER MOD Set 3.1: A 572 THR OG1 : rot 2:sc= 2 USER MOD Set 3.2: A 574 SER OG : rot 180:sc=-0.00303 USER MOD Set 3.3: A 575 SER OG : rot 53:sc= 0.671 USER MOD Set 4.1: A 564 THR OG1 : rot 180:sc= -0.0241 USER MOD Set 4.2: A 565 ASN : amide:sc= 0 X(o=-0.024,f=-0.024) USER MOD Single : A 568 SER OG : rot 170:sc= 0 USER MOD Single : A 569 THR OG1 : rot 37:sc= 0.447 USER MOD Single : A 571 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.45) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0.00589 USER MOD Single : A 577 THR OG1 : rot 180:sc= 0 USER MOD Single : A 579 SER OG : rot 180:sc= 0 USER MOD Single : A 581 THR OG1 : rot 180:sc= 0 USER MOD Single : A 586 ASN : amide:sc= 0.699 K(o=0.7,f=0) 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= -0.373 K(o=-0.37,f=-1.3) USER MOD Single : A 598 THR OG1 : rot 25:sc= 0.525 USER MOD Single : A 602 THR OG1 : rot 158:sc= -0.12 USER MOD Single : A 603 THR OG1 : rot -88:sc= 1.25 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 -130:sc= 0 USER MOD Single : A 619 SER OG : rot 180:sc= 0 USER MOD Single : A 620 TYR OH : rot 80:sc= 0.267 USER MOD Single : A 621 THR OG1 : rot 180:sc= 0 USER MOD Single : A 623 THR OG1 : rot 180:sc= 0 USER MOD Single : A 625 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 632 ASN : amide:sc= -0.0724 X(o=-0.072,f=-0.48) USER MOD Single : A 634 SER OG : rot 87:sc= 0.76 USER MOD Single : A 637 SER OG : rot 94:sc= 1.36 USER MOD Single : A 638 ASN : amide:sc= -0.735 K(o=-0.74,f=0) USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD Single : A 643 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 644 THR OG1 : rot 156:sc= 1.73 USER MOD ----------------------------------------------------------------- ATOM 38 N ALA A 559 -16.911 4.024 3.247 1.00 0.00 N ATOM 39 CA ALA A 559 -15.544 3.519 3.168 1.00 0.00 C ATOM 40 C ALA A 559 -15.519 1.994 3.072 1.00 0.00 C ATOM 41 O ALA A 559 -16.380 1.316 3.631 1.00 0.00 O ATOM 42 CB ALA A 559 -14.742 3.983 4.376 1.00 0.00 C ATOM 0 HA ALA A 559 -15.090 3.920 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -13.724 3.600 4.306 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -14.719 5.072 4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -15.208 3.609 5.288 1.00 0.00 H new ATOM 48 N PRO A 560 -14.524 1.432 2.358 1.00 0.00 N ATOM 49 CA PRO A 560 -14.390 -0.014 2.193 1.00 0.00 C ATOM 50 C PRO A 560 -13.676 -0.665 3.377 1.00 0.00 C ATOM 51 O PRO A 560 -13.890 -0.280 4.527 1.00 0.00 O ATOM 52 CB PRO A 560 -13.548 -0.122 0.926 1.00 0.00 C ATOM 53 CG PRO A 560 -12.659 1.072 0.974 1.00 0.00 C ATOM 54 CD PRO A 560 -13.447 2.163 1.657 1.00 0.00 C ATOM 0 HA PRO A 560 -15.351 -0.524 2.134 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.972 -1.047 0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -14.172 -0.118 0.032 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -11.743 0.853 1.523 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.363 1.377 -0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -12.828 2.728 2.354 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -13.850 2.876 0.938 1.00 0.00 H new ATOM 62 N THR A 561 -12.823 -1.646 3.090 1.00 0.00 N ATOM 63 CA THR A 561 -12.078 -2.337 4.135 1.00 0.00 C ATOM 64 C THR A 561 -10.580 -2.084 3.992 1.00 0.00 C ATOM 65 O THR A 561 -9.988 -2.375 2.953 1.00 0.00 O ATOM 66 CB THR A 561 -12.338 -3.853 4.109 1.00 0.00 C ATOM 67 OG1 THR A 561 -13.478 -4.142 3.292 1.00 0.00 O ATOM 68 CG2 THR A 561 -12.569 -4.384 5.516 1.00 0.00 C ATOM 0 H THR A 561 -12.632 -1.978 2.145 1.00 0.00 H new ATOM 0 HA THR A 561 -12.425 -1.939 5.088 1.00 0.00 H new ATOM 0 HB THR A 561 -11.459 -4.343 3.690 1.00 0.00 H new ATOM 0 HG1 THR A 561 -13.924 -4.948 3.626 1.00 0.00 H new ATOM 0 HG21 THR A 561 -12.751 -5.458 5.474 1.00 0.00 H new ATOM 0 HG22 THR A 561 -11.688 -4.189 6.128 1.00 0.00 H new ATOM 0 HG23 THR A 561 -13.434 -3.886 5.955 1.00 0.00 H new ATOM 76 N ALA A 562 -9.977 -1.539 5.043 1.00 0.00 N ATOM 77 CA ALA A 562 -8.549 -1.238 5.043 1.00 0.00 C ATOM 78 C ALA A 562 -7.717 -2.497 4.806 1.00 0.00 C ATOM 79 O ALA A 562 -7.915 -3.511 5.475 1.00 0.00 O ATOM 80 CB ALA A 562 -8.154 -0.589 6.361 1.00 0.00 C ATOM 0 H ALA A 562 -10.457 -1.296 5.910 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.349 -0.545 4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -7.087 -0.368 6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -8.715 0.336 6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.377 -1.270 7.183 1.00 0.00 H new ATOM 86 N PRO A 563 -6.765 -2.447 3.850 1.00 0.00 N ATOM 87 CA PRO A 563 -5.897 -3.587 3.537 1.00 0.00 C ATOM 88 C PRO A 563 -5.340 -4.240 4.797 1.00 0.00 C ATOM 89 O PRO A 563 -4.738 -3.572 5.637 1.00 0.00 O ATOM 90 CB PRO A 563 -4.772 -2.954 2.720 1.00 0.00 C ATOM 91 CG PRO A 563 -5.404 -1.779 2.057 1.00 0.00 C ATOM 92 CD PRO A 563 -6.457 -1.273 3.009 1.00 0.00 C ATOM 0 HA PRO A 563 -6.427 -4.381 3.012 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -3.942 -2.650 3.358 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.372 -3.655 1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.665 -1.006 1.848 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -5.847 -2.063 1.102 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.089 -0.439 3.606 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.340 -0.919 2.477 1.00 0.00 H new ATOM 100 N THR A 564 -5.553 -5.543 4.929 1.00 0.00 N ATOM 101 CA THR A 564 -5.080 -6.275 6.095 1.00 0.00 C ATOM 102 C THR A 564 -3.928 -7.209 5.743 1.00 0.00 C ATOM 103 O THR A 564 -3.847 -7.719 4.624 1.00 0.00 O ATOM 104 CB THR A 564 -6.211 -7.098 6.738 1.00 0.00 C ATOM 105 OG1 THR A 564 -5.681 -7.952 7.758 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.923 -7.934 5.690 1.00 0.00 C ATOM 0 H THR A 564 -6.049 -6.113 4.244 1.00 0.00 H new ATOM 0 HA THR A 564 -4.728 -5.528 6.807 1.00 0.00 H new ATOM 0 HB THR A 564 -6.927 -6.408 7.184 1.00 0.00 H new ATOM 0 HG1 THR A 564 -6.409 -8.470 8.162 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.719 -8.509 6.163 1.00 0.00 H new ATOM 0 HG22 THR A 564 -7.350 -7.279 4.931 1.00 0.00 H new ATOM 0 HG23 THR A 564 -6.212 -8.615 5.223 1.00 0.00 H new ATOM 114 N ASN A 565 -3.047 -7.431 6.713 1.00 0.00 N ATOM 115 CA ASN A 565 -1.897 -8.311 6.532 1.00 0.00 C ATOM 116 C ASN A 565 -1.019 -7.864 5.365 1.00 0.00 C ATOM 117 O ASN A 565 -1.071 -8.445 4.280 1.00 0.00 O ATOM 118 CB ASN A 565 -2.364 -9.749 6.312 1.00 0.00 C ATOM 119 CG ASN A 565 -2.365 -10.559 7.594 1.00 0.00 C ATOM 120 OD1 ASN A 565 -3.319 -10.512 8.371 1.00 0.00 O ATOM 121 ND2 ASN A 565 -1.291 -11.306 7.822 1.00 0.00 N ATOM 0 H ASN A 565 -3.108 -7.010 7.640 1.00 0.00 H new ATOM 0 HA ASN A 565 -1.296 -8.258 7.440 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -3.369 -9.741 5.890 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -1.715 -10.231 5.581 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -1.234 -11.871 8.669 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -0.524 -11.314 7.150 1.00 0.00 H new ATOM 128 N LEU A 566 -0.202 -6.839 5.598 1.00 0.00 N ATOM 129 CA LEU A 566 0.699 -6.334 4.566 1.00 0.00 C ATOM 130 C LEU A 566 2.042 -7.053 4.638 1.00 0.00 C ATOM 131 O LEU A 566 2.393 -7.624 5.671 1.00 0.00 O ATOM 132 CB LEU A 566 0.902 -4.824 4.716 1.00 0.00 C ATOM 133 CG LEU A 566 1.947 -4.219 3.776 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.442 -4.220 2.341 1.00 0.00 C ATOM 135 CD2 LEU A 566 2.310 -2.811 4.214 1.00 0.00 C ATOM 0 H LEU A 566 -0.146 -6.344 6.488 1.00 0.00 H new ATOM 0 HA LEU A 566 0.247 -6.527 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -0.052 -4.325 4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.193 -4.611 5.745 1.00 0.00 H new ATOM 0 HG LEU A 566 2.846 -4.834 3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.199 -3.786 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.237 -5.244 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.527 -3.631 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 566 3.054 -2.399 3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.418 -2.184 4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 566 2.718 -2.838 5.224 1.00 0.00 H new ATOM 147 N ALA A 567 2.792 -7.021 3.541 1.00 0.00 N ATOM 148 CA ALA A 567 4.096 -7.674 3.494 1.00 0.00 C ATOM 149 C ALA A 567 4.950 -7.143 2.348 1.00 0.00 C ATOM 150 O ALA A 567 4.482 -6.365 1.517 1.00 0.00 O ATOM 151 CB ALA A 567 3.927 -9.180 3.374 1.00 0.00 C ATOM 0 H ALA A 567 2.521 -6.552 2.676 1.00 0.00 H new ATOM 0 HA ALA A 567 4.615 -7.447 4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 567 4.908 -9.655 3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.373 -9.554 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.379 -9.413 2.461 1.00 0.00 H new ATOM 157 N SER A 568 6.204 -7.585 2.307 1.00 0.00 N ATOM 158 CA SER A 568 7.135 -7.173 1.261 1.00 0.00 C ATOM 159 C SER A 568 7.711 -8.396 0.552 1.00 0.00 C ATOM 160 O SER A 568 7.959 -9.426 1.181 1.00 0.00 O ATOM 161 CB SER A 568 8.264 -6.328 1.855 1.00 0.00 C ATOM 162 OG SER A 568 8.970 -7.047 2.850 1.00 0.00 O ATOM 0 H SER A 568 6.600 -8.231 2.989 1.00 0.00 H new ATOM 0 HA SER A 568 6.593 -6.569 0.533 1.00 0.00 H new ATOM 0 HB2 SER A 568 8.951 -6.026 1.064 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.852 -5.415 2.285 1.00 0.00 H new ATOM 0 HG SER A 568 9.779 -6.553 3.099 1.00 0.00 H new ATOM 168 N THR A 569 7.916 -8.285 -0.757 1.00 0.00 N ATOM 169 CA THR A 569 8.453 -9.394 -1.537 1.00 0.00 C ATOM 170 C THR A 569 9.700 -8.986 -2.317 1.00 0.00 C ATOM 171 O THR A 569 10.821 -9.112 -1.822 1.00 0.00 O ATOM 172 CB THR A 569 7.404 -9.951 -2.519 1.00 0.00 C ATOM 173 OG1 THR A 569 6.396 -8.964 -2.770 1.00 0.00 O ATOM 174 CG2 THR A 569 6.757 -11.212 -1.964 1.00 0.00 C ATOM 0 H THR A 569 7.719 -7.443 -1.297 1.00 0.00 H new ATOM 0 HA THR A 569 8.723 -10.171 -0.822 1.00 0.00 H new ATOM 0 HB THR A 569 7.909 -10.201 -3.452 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.809 -8.076 -2.801 1.00 0.00 H new ATOM 0 HG21 THR A 569 6.020 -11.586 -2.675 1.00 0.00 H new ATOM 0 HG22 THR A 569 7.522 -11.971 -1.800 1.00 0.00 H new ATOM 0 HG23 THR A 569 6.265 -10.983 -1.019 1.00 0.00 H new ATOM 182 N ALA A 570 9.501 -8.505 -3.543 1.00 0.00 N ATOM 183 CA ALA A 570 10.611 -8.092 -4.394 1.00 0.00 C ATOM 184 C ALA A 570 11.088 -6.685 -4.051 1.00 0.00 C ATOM 185 O ALA A 570 10.455 -5.697 -4.421 1.00 0.00 O ATOM 186 CB ALA A 570 10.205 -8.167 -5.858 1.00 0.00 C ATOM 0 H ALA A 570 8.580 -8.392 -3.968 1.00 0.00 H new ATOM 0 HA ALA A 570 11.440 -8.776 -4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.042 -7.856 -6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 570 9.927 -9.191 -6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.355 -7.507 -6.034 1.00 0.00 H new ATOM 192 N GLN A 571 12.212 -6.602 -3.347 1.00 0.00 N ATOM 193 CA GLN A 571 12.778 -5.315 -2.960 1.00 0.00 C ATOM 194 C GLN A 571 14.196 -5.163 -3.502 1.00 0.00 C ATOM 195 O GLN A 571 15.011 -6.080 -3.405 1.00 0.00 O ATOM 196 CB GLN A 571 12.785 -5.169 -1.436 1.00 0.00 C ATOM 197 CG GLN A 571 11.724 -6.003 -0.736 1.00 0.00 C ATOM 198 CD GLN A 571 12.320 -7.062 0.169 1.00 0.00 C ATOM 199 OE1 GLN A 571 12.863 -8.062 -0.300 1.00 0.00 O ATOM 200 NE2 GLN A 571 12.225 -6.846 1.476 1.00 0.00 N ATOM 0 H GLN A 571 12.749 -7.410 -3.033 1.00 0.00 H new ATOM 0 HA GLN A 571 12.155 -4.530 -3.388 1.00 0.00 H new ATOM 0 HB2 GLN A 571 13.767 -5.454 -1.057 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.637 -4.120 -1.180 1.00 0.00 H new ATOM 0 HG2 GLN A 571 11.081 -5.348 -0.148 1.00 0.00 H new ATOM 0 HG3 GLN A 571 11.092 -6.483 -1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 571 11.766 -6.003 1.822 1.00 0.00 H new ATOM 0 HE22 GLN A 571 12.611 -7.523 2.134 1.00 0.00 H new ATOM 209 N THR A 572 14.482 -3.996 -4.070 1.00 0.00 N ATOM 210 CA THR A 572 15.800 -3.715 -4.626 1.00 0.00 C ATOM 211 C THR A 572 16.336 -2.388 -4.103 1.00 0.00 C ATOM 212 O THR A 572 15.867 -1.878 -3.084 1.00 0.00 O ATOM 213 CB THR A 572 15.769 -3.676 -6.167 1.00 0.00 C ATOM 214 OG1 THR A 572 14.675 -2.868 -6.618 1.00 0.00 O ATOM 215 CG2 THR A 572 15.638 -5.079 -6.741 1.00 0.00 C ATOM 0 H THR A 572 13.816 -3.228 -4.157 1.00 0.00 H new ATOM 0 HA THR A 572 16.458 -4.524 -4.310 1.00 0.00 H new ATOM 0 HB THR A 572 16.707 -3.242 -6.515 1.00 0.00 H new ATOM 0 HG1 THR A 572 14.202 -2.497 -5.844 1.00 0.00 H new ATOM 0 HG21 THR A 572 15.618 -5.026 -7.830 1.00 0.00 H new ATOM 0 HG22 THR A 572 16.487 -5.683 -6.422 1.00 0.00 H new ATOM 0 HG23 THR A 572 14.714 -5.534 -6.383 1.00 0.00 H new ATOM 223 N THR A 573 17.321 -1.831 -4.801 1.00 0.00 N ATOM 224 CA THR A 573 17.918 -0.563 -4.401 1.00 0.00 C ATOM 225 C THR A 573 17.299 0.603 -5.166 1.00 0.00 C ATOM 226 O THR A 573 17.940 1.634 -5.370 1.00 0.00 O ATOM 227 CB THR A 573 19.441 -0.564 -4.632 1.00 0.00 C ATOM 228 OG1 THR A 573 19.739 -1.078 -5.935 1.00 0.00 O ATOM 229 CG2 THR A 573 20.145 -1.405 -3.577 1.00 0.00 C ATOM 0 H THR A 573 17.722 -2.238 -5.646 1.00 0.00 H new ATOM 0 HA THR A 573 17.719 -0.441 -3.336 1.00 0.00 H new ATOM 0 HB THR A 573 19.799 0.463 -4.557 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.709 -1.074 -6.074 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.220 -1.392 -3.759 1.00 0.00 H new ATOM 0 HG22 THR A 573 19.939 -0.995 -2.588 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.781 -2.431 -3.627 1.00 0.00 H new ATOM 237 N SER A 574 16.047 0.434 -5.585 1.00 0.00 N ATOM 238 CA SER A 574 15.344 1.475 -6.327 1.00 0.00 C ATOM 239 C SER A 574 13.856 1.161 -6.449 1.00 0.00 C ATOM 240 O SER A 574 13.014 2.053 -6.344 1.00 0.00 O ATOM 241 CB SER A 574 15.954 1.636 -7.721 1.00 0.00 C ATOM 242 OG SER A 574 15.752 0.471 -8.503 1.00 0.00 O ATOM 0 H SER A 574 15.501 -0.412 -5.423 1.00 0.00 H new ATOM 0 HA SER A 574 15.453 2.408 -5.774 1.00 0.00 H new ATOM 0 HB2 SER A 574 15.506 2.495 -8.220 1.00 0.00 H new ATOM 0 HB3 SER A 574 17.021 1.839 -7.633 1.00 0.00 H new ATOM 0 HG SER A 574 16.149 0.599 -9.390 1.00 0.00 H new ATOM 248 N SER A 575 13.539 -0.109 -6.680 1.00 0.00 N ATOM 249 CA SER A 575 12.151 -0.534 -6.824 1.00 0.00 C ATOM 250 C SER A 575 11.749 -1.494 -5.710 1.00 0.00 C ATOM 251 O SER A 575 12.587 -2.196 -5.148 1.00 0.00 O ATOM 252 CB SER A 575 11.943 -1.199 -8.186 1.00 0.00 C ATOM 253 OG SER A 575 13.179 -1.597 -8.753 1.00 0.00 O ATOM 0 H SER A 575 14.223 -0.860 -6.771 1.00 0.00 H new ATOM 0 HA SER A 575 11.519 0.351 -6.754 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.294 -2.068 -8.075 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.437 -0.507 -8.859 1.00 0.00 H new ATOM 0 HG SER A 575 13.674 -2.144 -8.108 1.00 0.00 H new ATOM 259 N ILE A 576 10.456 -1.520 -5.398 1.00 0.00 N ATOM 260 CA ILE A 576 9.936 -2.395 -4.353 1.00 0.00 C ATOM 261 C ILE A 576 8.544 -2.909 -4.715 1.00 0.00 C ATOM 262 O ILE A 576 7.778 -2.226 -5.396 1.00 0.00 O ATOM 263 CB ILE A 576 9.873 -1.672 -2.991 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.493 -2.658 -1.882 1.00 0.00 C ATOM 265 CG2 ILE A 576 8.886 -0.516 -3.048 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.575 -2.070 -0.489 1.00 0.00 C ATOM 0 H ILE A 576 9.749 -0.944 -5.855 1.00 0.00 H new ATOM 0 HA ILE A 576 10.622 -3.238 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 576 10.859 -1.266 -2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.478 -3.014 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.150 -3.526 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 576 8.854 -0.017 -2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.202 0.195 -3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 576 7.894 -0.896 -3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.292 -2.827 0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.595 -1.740 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 576 8.897 -1.220 -0.412 1.00 0.00 H new ATOM 278 N THR A 577 8.225 -4.115 -4.257 1.00 0.00 N ATOM 279 CA THR A 577 6.928 -4.722 -4.531 1.00 0.00 C ATOM 280 C THR A 577 6.269 -5.202 -3.243 1.00 0.00 C ATOM 281 O THR A 577 6.736 -6.148 -2.609 1.00 0.00 O ATOM 282 CB THR A 577 7.060 -5.910 -5.504 1.00 0.00 C ATOM 283 OG1 THR A 577 7.689 -5.478 -6.717 1.00 0.00 O ATOM 284 CG2 THR A 577 5.697 -6.509 -5.822 1.00 0.00 C ATOM 0 H THR A 577 8.849 -4.692 -3.693 1.00 0.00 H new ATOM 0 HA THR A 577 6.306 -3.955 -4.991 1.00 0.00 H new ATOM 0 HB THR A 577 7.671 -6.675 -5.026 1.00 0.00 H new ATOM 0 HG1 THR A 577 7.772 -6.237 -7.331 1.00 0.00 H new ATOM 0 HG21 THR A 577 5.819 -7.345 -6.510 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.231 -6.861 -4.902 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.064 -5.750 -6.282 1.00 0.00 H new ATOM 292 N LEU A 578 5.182 -4.540 -2.860 1.00 0.00 N ATOM 293 CA LEU A 578 4.459 -4.895 -1.644 1.00 0.00 C ATOM 294 C LEU A 578 3.221 -5.724 -1.964 1.00 0.00 C ATOM 295 O LEU A 578 2.530 -5.469 -2.949 1.00 0.00 O ATOM 296 CB LEU A 578 4.052 -3.635 -0.882 1.00 0.00 C ATOM 297 CG LEU A 578 5.205 -2.852 -0.256 1.00 0.00 C ATOM 298 CD1 LEU A 578 4.701 -1.544 0.335 1.00 0.00 C ATOM 299 CD2 LEU A 578 5.900 -3.687 0.810 1.00 0.00 C ATOM 0 H LEU A 578 4.782 -3.755 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 578 5.125 -5.493 -1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 578 3.514 -2.976 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 578 3.354 -3.916 -0.093 1.00 0.00 H new ATOM 0 HG LEU A 578 5.929 -2.620 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.535 -0.999 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 578 4.249 -0.940 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 578 3.958 -1.755 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 578 6.719 -3.114 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 578 5.185 -3.949 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 578 6.295 -4.598 0.359 1.00 0.00 H new ATOM 311 N SER A 579 2.944 -6.713 -1.120 1.00 0.00 N ATOM 312 CA SER A 579 1.783 -7.576 -1.306 1.00 0.00 C ATOM 313 C SER A 579 0.911 -7.572 -0.053 1.00 0.00 C ATOM 314 O SER A 579 1.421 -7.571 1.067 1.00 0.00 O ATOM 315 CB SER A 579 2.223 -9.003 -1.634 1.00 0.00 C ATOM 316 OG SER A 579 1.114 -9.810 -1.991 1.00 0.00 O ATOM 0 H SER A 579 3.508 -6.937 -0.300 1.00 0.00 H new ATOM 0 HA SER A 579 1.199 -7.190 -2.142 1.00 0.00 H new ATOM 0 HB2 SER A 579 2.943 -8.986 -2.453 1.00 0.00 H new ATOM 0 HB3 SER A 579 2.730 -9.437 -0.773 1.00 0.00 H new ATOM 0 HG SER A 579 1.422 -10.717 -2.198 1.00 0.00 H new ATOM 322 N TRP A 580 -0.404 -7.563 -0.249 1.00 0.00 N ATOM 323 CA TRP A 580 -1.342 -7.549 0.869 1.00 0.00 C ATOM 324 C TRP A 580 -2.683 -8.152 0.468 1.00 0.00 C ATOM 325 O TRP A 580 -2.939 -8.395 -0.712 1.00 0.00 O ATOM 326 CB TRP A 580 -1.549 -6.116 1.363 1.00 0.00 C ATOM 327 CG TRP A 580 -2.147 -5.221 0.322 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.473 -4.974 0.117 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.439 -4.461 -0.663 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.633 -4.106 -0.936 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.399 -3.776 -1.431 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.085 -4.292 -0.968 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.048 -2.938 -2.486 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.262 -3.459 -2.014 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.716 -2.791 -2.761 1.00 0.00 C ATOM 0 H TRP A 580 -0.844 -7.565 -1.169 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.919 -8.153 1.672 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.197 -6.129 2.239 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.591 -5.705 1.681 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.279 -5.399 0.697 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.525 -3.763 -1.291 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.676 -4.803 -0.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -2.800 -2.423 -3.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.305 -3.321 -2.260 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.412 -2.146 -3.572 1.00 0.00 H new ATOM 346 N THR A 581 -3.540 -8.383 1.459 1.00 0.00 N ATOM 347 CA THR A 581 -4.860 -8.949 1.213 1.00 0.00 C ATOM 348 C THR A 581 -5.856 -7.859 0.834 1.00 0.00 C ATOM 349 O THR A 581 -6.066 -6.908 1.587 1.00 0.00 O ATOM 350 CB THR A 581 -5.387 -9.706 2.446 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.381 -10.600 2.940 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.643 -10.492 2.105 1.00 0.00 C ATOM 0 H THR A 581 -3.342 -8.186 2.440 1.00 0.00 H new ATOM 0 HA THR A 581 -4.757 -9.651 0.386 1.00 0.00 H new ATOM 0 HB THR A 581 -5.633 -8.973 3.214 1.00 0.00 H new ATOM 0 HG1 THR A 581 -4.724 -11.076 3.725 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.995 -11.018 2.992 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.417 -9.808 1.757 1.00 0.00 H new ATOM 0 HG23 THR A 581 -6.418 -11.215 1.321 1.00 0.00 H new ATOM 360 N ALA A 582 -6.464 -8.005 -0.339 1.00 0.00 N ATOM 361 CA ALA A 582 -7.439 -7.034 -0.821 1.00 0.00 C ATOM 362 C ALA A 582 -8.585 -6.868 0.169 1.00 0.00 C ATOM 363 O ALA A 582 -8.811 -7.728 1.021 1.00 0.00 O ATOM 364 CB ALA A 582 -7.971 -7.452 -2.184 1.00 0.00 C ATOM 0 H ALA A 582 -6.298 -8.787 -0.973 1.00 0.00 H new ATOM 0 HA ALA A 582 -6.938 -6.071 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -8.698 -6.718 -2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -7.146 -7.510 -2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -8.450 -8.428 -2.104 1.00 0.00 H new ATOM 370 N SER A 583 -9.306 -5.757 0.053 1.00 0.00 N ATOM 371 CA SER A 583 -10.429 -5.476 0.939 1.00 0.00 C ATOM 372 C SER A 583 -11.457 -6.603 0.888 1.00 0.00 C ATOM 373 O SER A 583 -11.496 -7.376 -0.069 1.00 0.00 O ATOM 374 CB SER A 583 -11.084 -4.149 0.559 1.00 0.00 C ATOM 375 OG SER A 583 -10.119 -3.215 0.107 1.00 0.00 O ATOM 0 H SER A 583 -9.132 -5.036 -0.647 1.00 0.00 H new ATOM 0 HA SER A 583 -10.049 -5.404 1.958 1.00 0.00 H new ATOM 0 HB2 SER A 583 -11.826 -4.317 -0.222 1.00 0.00 H new ATOM 0 HB3 SER A 583 -11.614 -3.742 1.420 1.00 0.00 H new ATOM 0 HG SER A 583 -10.530 -2.611 -0.546 1.00 0.00 H new ATOM 381 N THR A 584 -12.282 -6.695 1.927 1.00 0.00 N ATOM 382 CA THR A 584 -13.301 -7.735 2.001 1.00 0.00 C ATOM 383 C THR A 584 -14.659 -7.224 1.531 1.00 0.00 C ATOM 384 O THR A 584 -15.682 -7.880 1.737 1.00 0.00 O ATOM 385 CB THR A 584 -13.443 -8.280 3.436 1.00 0.00 C ATOM 386 OG1 THR A 584 -14.020 -7.282 4.287 1.00 0.00 O ATOM 387 CG2 THR A 584 -12.090 -8.704 3.987 1.00 0.00 C ATOM 0 H THR A 584 -12.264 -6.063 2.727 1.00 0.00 H new ATOM 0 HA THR A 584 -12.973 -8.538 1.340 1.00 0.00 H new ATOM 0 HB THR A 584 -14.097 -9.151 3.407 1.00 0.00 H new ATOM 0 HG1 THR A 584 -14.108 -7.638 5.196 1.00 0.00 H new ATOM 0 HG21 THR A 584 -12.213 -9.085 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 584 -11.668 -9.485 3.354 1.00 0.00 H new ATOM 0 HG23 THR A 584 -11.418 -7.846 4.001 1.00 0.00 H new ATOM 395 N ASP A 585 -14.667 -6.055 0.897 1.00 0.00 N ATOM 396 CA ASP A 585 -15.908 -5.472 0.402 1.00 0.00 C ATOM 397 C ASP A 585 -16.007 -5.595 -1.119 1.00 0.00 C ATOM 398 O ASP A 585 -16.954 -6.186 -1.638 1.00 0.00 O ATOM 399 CB ASP A 585 -16.023 -4.004 0.836 1.00 0.00 C ATOM 400 CG ASP A 585 -15.071 -3.089 0.101 1.00 0.00 C ATOM 401 OD1 ASP A 585 -13.857 -3.149 0.386 1.00 0.00 O ATOM 402 OD2 ASP A 585 -15.538 -2.318 -0.762 1.00 0.00 O ATOM 0 H ASP A 585 -13.833 -5.496 0.715 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.739 -6.028 0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -17.045 -3.662 0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -15.832 -3.932 1.907 1.00 0.00 H new ATOM 407 N ASN A 586 -15.024 -5.040 -1.826 1.00 0.00 N ATOM 408 CA ASN A 586 -14.996 -5.087 -3.285 1.00 0.00 C ATOM 409 C ASN A 586 -16.338 -4.661 -3.882 1.00 0.00 C ATOM 410 O ASN A 586 -16.675 -5.035 -5.006 1.00 0.00 O ATOM 411 CB ASN A 586 -14.628 -6.485 -3.761 1.00 0.00 C ATOM 412 CG ASN A 586 -13.715 -6.468 -4.973 1.00 0.00 C ATOM 413 OD1 ASN A 586 -12.627 -7.044 -4.950 1.00 0.00 O ATOM 414 ND2 ASN A 586 -14.151 -5.809 -6.040 1.00 0.00 N ATOM 0 H ASN A 586 -14.233 -4.550 -1.408 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.238 -4.383 -3.628 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -14.139 -7.024 -2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -15.538 -7.033 -4.004 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -13.578 -5.767 -6.883 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -15.059 -5.345 -6.017 1.00 0.00 H new ATOM 421 N VAL A 587 -17.098 -3.878 -3.122 1.00 0.00 N ATOM 422 CA VAL A 587 -18.401 -3.402 -3.574 1.00 0.00 C ATOM 423 C VAL A 587 -18.303 -1.986 -4.127 1.00 0.00 C ATOM 424 O VAL A 587 -19.285 -1.424 -4.610 1.00 0.00 O ATOM 425 CB VAL A 587 -19.438 -3.430 -2.435 1.00 0.00 C ATOM 426 CG1 VAL A 587 -19.827 -4.862 -2.102 1.00 0.00 C ATOM 427 CG2 VAL A 587 -18.905 -2.714 -1.204 1.00 0.00 C ATOM 0 H VAL A 587 -16.834 -3.560 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 587 -18.729 -4.077 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 587 -20.331 -2.904 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -20.560 -4.862 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -20.258 -5.336 -2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -18.942 -5.416 -1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -19.653 -2.746 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -17.994 -3.206 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -18.685 -1.676 -1.454 1.00 0.00 H new ATOM 437 N GLY A 588 -17.104 -1.419 -4.052 1.00 0.00 N ATOM 438 CA GLY A 588 -16.878 -0.075 -4.546 1.00 0.00 C ATOM 439 C GLY A 588 -15.404 0.229 -4.696 1.00 0.00 C ATOM 440 O GLY A 588 -15.025 1.261 -5.251 1.00 0.00 O ATOM 0 H GLY A 588 -16.280 -1.870 -3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.374 0.046 -5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.329 0.644 -3.862 1.00 0.00 H new ATOM 444 N VAL A 589 -14.569 -0.680 -4.200 1.00 0.00 N ATOM 445 CA VAL A 589 -13.125 -0.518 -4.274 1.00 0.00 C ATOM 446 C VAL A 589 -12.647 -0.549 -5.722 1.00 0.00 C ATOM 447 O VAL A 589 -12.982 -1.462 -6.479 1.00 0.00 O ATOM 448 CB VAL A 589 -12.394 -1.619 -3.479 1.00 0.00 C ATOM 449 CG1 VAL A 589 -10.912 -1.300 -3.360 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.019 -1.790 -2.102 1.00 0.00 C ATOM 0 H VAL A 589 -14.872 -1.539 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 589 -12.890 0.451 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.498 -2.559 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.414 -2.089 -2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.473 -1.234 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -10.785 -0.349 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.489 -2.571 -1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -12.949 -0.852 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.067 -2.070 -2.210 1.00 0.00 H new ATOM 460 N THR A 590 -11.866 0.456 -6.103 1.00 0.00 N ATOM 461 CA THR A 590 -11.345 0.545 -7.463 1.00 0.00 C ATOM 462 C THR A 590 -9.823 0.460 -7.479 1.00 0.00 C ATOM 463 O THR A 590 -9.230 -0.029 -8.441 1.00 0.00 O ATOM 464 CB THR A 590 -11.783 1.852 -8.154 1.00 0.00 C ATOM 465 OG1 THR A 590 -10.778 2.277 -9.082 1.00 0.00 O ATOM 466 CG2 THR A 590 -12.035 2.953 -7.134 1.00 0.00 C ATOM 0 H THR A 590 -11.580 1.220 -5.490 1.00 0.00 H new ATOM 0 HA THR A 590 -11.759 -0.301 -8.011 1.00 0.00 H new ATOM 0 HB THR A 590 -12.713 1.656 -8.688 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.065 3.107 -9.518 1.00 0.00 H new ATOM 0 HG21 THR A 590 -12.342 3.863 -7.649 1.00 0.00 H new ATOM 0 HG22 THR A 590 -12.823 2.640 -6.448 1.00 0.00 H new ATOM 0 HG23 THR A 590 -11.121 3.145 -6.573 1.00 0.00 H new ATOM 474 N GLY A 591 -9.194 0.939 -6.410 1.00 0.00 N ATOM 475 CA GLY A 591 -7.746 0.907 -6.327 1.00 0.00 C ATOM 476 C GLY A 591 -7.237 1.071 -4.909 1.00 0.00 C ATOM 477 O GLY A 591 -8.015 1.317 -3.986 1.00 0.00 O ATOM 0 H GLY A 591 -9.661 1.348 -5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.384 -0.038 -6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.333 1.700 -6.951 1.00 0.00 H new ATOM 481 N TYR A 592 -5.925 0.934 -4.736 1.00 0.00 N ATOM 482 CA TYR A 592 -5.306 1.067 -3.423 1.00 0.00 C ATOM 483 C TYR A 592 -4.183 2.097 -3.453 1.00 0.00 C ATOM 484 O TYR A 592 -3.262 2.004 -4.265 1.00 0.00 O ATOM 485 CB TYR A 592 -4.761 -0.282 -2.954 1.00 0.00 C ATOM 486 CG TYR A 592 -5.815 -1.361 -2.866 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.207 -2.070 -3.994 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.417 -1.671 -1.653 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.171 -3.056 -3.917 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.381 -2.656 -1.567 1.00 0.00 C ATOM 491 CZ TYR A 592 -7.751 -3.350 -2.705 1.00 0.00 C ATOM 492 OH TYR A 592 -8.716 -4.327 -2.620 1.00 0.00 O ATOM 0 H TYR A 592 -5.270 0.731 -5.491 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.069 1.407 -2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -3.977 -0.606 -3.639 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.298 -0.157 -1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -5.751 -1.847 -4.947 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -6.126 -1.133 -0.763 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -7.468 -3.594 -4.805 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -7.843 -2.883 -0.618 1.00 0.00 H new ATOM 0 HH TYR A 592 -8.872 -4.711 -3.508 1.00 0.00 H new ATOM 502 N ASP A 593 -4.265 3.075 -2.559 1.00 0.00 N ATOM 503 CA ASP A 593 -3.257 4.125 -2.474 1.00 0.00 C ATOM 504 C ASP A 593 -2.280 3.840 -1.339 1.00 0.00 C ATOM 505 O ASP A 593 -2.679 3.759 -0.177 1.00 0.00 O ATOM 506 CB ASP A 593 -3.927 5.482 -2.251 1.00 0.00 C ATOM 507 CG ASP A 593 -4.171 6.230 -3.546 1.00 0.00 C ATOM 508 OD1 ASP A 593 -3.210 6.392 -4.328 1.00 0.00 O ATOM 509 OD2 ASP A 593 -5.322 6.650 -3.781 1.00 0.00 O ATOM 0 H ASP A 593 -5.022 3.163 -1.881 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.705 4.148 -3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -4.876 5.334 -1.736 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.301 6.089 -1.597 1.00 0.00 H new ATOM 514 N VAL A 594 -1.002 3.684 -1.674 1.00 0.00 N ATOM 515 CA VAL A 594 0.011 3.405 -0.664 1.00 0.00 C ATOM 516 C VAL A 594 0.777 4.670 -0.287 1.00 0.00 C ATOM 517 O VAL A 594 1.173 5.453 -1.151 1.00 0.00 O ATOM 518 CB VAL A 594 0.991 2.301 -1.128 1.00 0.00 C ATOM 519 CG1 VAL A 594 0.935 2.125 -2.634 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.417 2.585 -0.669 1.00 0.00 C ATOM 0 H VAL A 594 -0.647 3.746 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.511 3.041 0.221 1.00 0.00 H new ATOM 0 HB VAL A 594 0.675 1.368 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.633 1.344 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 594 -0.075 1.843 -2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.207 3.062 -3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 594 3.076 1.788 -1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.750 3.536 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.446 2.634 0.420 1.00 0.00 H new ATOM 530 N TYR A 595 0.976 4.858 1.014 1.00 0.00 N ATOM 531 CA TYR A 595 1.686 6.021 1.527 1.00 0.00 C ATOM 532 C TYR A 595 3.133 5.673 1.864 1.00 0.00 C ATOM 533 O TYR A 595 3.398 4.699 2.570 1.00 0.00 O ATOM 534 CB TYR A 595 0.984 6.557 2.775 1.00 0.00 C ATOM 535 CG TYR A 595 -0.460 6.943 2.548 1.00 0.00 C ATOM 536 CD1 TYR A 595 -0.802 8.222 2.121 1.00 0.00 C ATOM 537 CD2 TYR A 595 -1.483 6.025 2.752 1.00 0.00 C ATOM 538 CE1 TYR A 595 -2.123 8.572 1.906 1.00 0.00 C ATOM 539 CE2 TYR A 595 -2.804 6.368 2.540 1.00 0.00 C ATOM 540 CZ TYR A 595 -3.117 7.662 2.143 1.00 0.00 C ATOM 541 OH TYR A 595 -4.433 7.987 1.903 1.00 0.00 O ATOM 0 H TYR A 595 0.652 4.214 1.735 1.00 0.00 H new ATOM 0 HA TYR A 595 1.684 6.787 0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 595 1.029 5.800 3.558 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.529 7.427 3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 595 -0.024 8.953 1.955 1.00 0.00 H new ATOM 0 HD2 TYR A 595 -1.241 5.026 3.082 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -2.369 9.562 1.552 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -3.586 5.637 2.682 1.00 0.00 H new ATOM 0 HH TYR A 595 -5.005 7.223 2.125 1.00 0.00 H new ATOM 551 N ASN A 596 4.060 6.480 1.363 1.00 0.00 N ATOM 552 CA ASN A 596 5.481 6.265 1.615 1.00 0.00 C ATOM 553 C ASN A 596 6.032 7.348 2.536 1.00 0.00 C ATOM 554 O ASN A 596 6.513 8.385 2.077 1.00 0.00 O ATOM 555 CB ASN A 596 6.261 6.251 0.298 1.00 0.00 C ATOM 556 CG ASN A 596 7.762 6.219 0.512 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.246 5.720 1.529 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.508 6.753 -0.449 1.00 0.00 N ATOM 0 H ASN A 596 3.854 7.290 0.779 1.00 0.00 H new ATOM 0 HA ASN A 596 5.598 5.298 2.104 1.00 0.00 H new ATOM 0 HB2 ASN A 596 5.962 5.382 -0.288 1.00 0.00 H new ATOM 0 HB3 ASN A 596 5.999 7.134 -0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.524 6.760 -0.361 1.00 0.00 H new ATOM 0 HD22 ASN A 596 8.065 7.155 -1.275 1.00 0.00 H new ATOM 565 N GLY A 597 5.958 7.101 3.841 1.00 0.00 N ATOM 566 CA GLY A 597 6.452 8.064 4.808 1.00 0.00 C ATOM 567 C GLY A 597 5.613 9.325 4.851 1.00 0.00 C ATOM 568 O GLY A 597 6.046 10.379 4.384 1.00 0.00 O ATOM 0 H GLY A 597 5.565 6.251 4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.466 7.607 5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 597 7.482 8.325 4.563 1.00 0.00 H new ATOM 572 N THR A 598 4.409 9.213 5.413 1.00 0.00 N ATOM 573 CA THR A 598 3.493 10.348 5.521 1.00 0.00 C ATOM 574 C THR A 598 3.395 11.110 4.202 1.00 0.00 C ATOM 575 O THR A 598 3.166 12.319 4.185 1.00 0.00 O ATOM 576 CB THR A 598 3.921 11.321 6.637 1.00 0.00 C ATOM 577 OG1 THR A 598 5.303 11.668 6.490 1.00 0.00 O ATOM 578 CG2 THR A 598 3.695 10.704 8.009 1.00 0.00 C ATOM 0 H THR A 598 4.045 8.343 5.802 1.00 0.00 H new ATOM 0 HA THR A 598 2.515 9.935 5.770 1.00 0.00 H new ATOM 0 HB THR A 598 3.311 12.221 6.552 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.571 11.554 5.554 1.00 0.00 H new ATOM 0 HG21 THR A 598 4.004 11.409 8.780 1.00 0.00 H new ATOM 0 HG22 THR A 598 2.638 10.471 8.133 1.00 0.00 H new ATOM 0 HG23 THR A 598 4.281 9.789 8.098 1.00 0.00 H new ATOM 586 N ALA A 599 3.573 10.389 3.100 1.00 0.00 N ATOM 587 CA ALA A 599 3.508 10.986 1.771 1.00 0.00 C ATOM 588 C ALA A 599 3.231 9.924 0.715 1.00 0.00 C ATOM 589 O ALA A 599 4.107 9.123 0.386 1.00 0.00 O ATOM 590 CB ALA A 599 4.803 11.720 1.460 1.00 0.00 C ATOM 0 H ALA A 599 3.764 9.387 3.101 1.00 0.00 H new ATOM 0 HA ALA A 599 2.687 11.703 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 599 4.741 12.161 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 599 4.961 12.508 2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 599 5.636 11.018 1.495 1.00 0.00 H new ATOM 596 N LEU A 600 2.006 9.919 0.194 1.00 0.00 N ATOM 597 CA LEU A 600 1.603 8.950 -0.822 1.00 0.00 C ATOM 598 C LEU A 600 2.645 8.837 -1.929 1.00 0.00 C ATOM 599 O LEU A 600 3.204 9.838 -2.378 1.00 0.00 O ATOM 600 CB LEU A 600 0.252 9.339 -1.424 1.00 0.00 C ATOM 601 CG LEU A 600 -0.362 8.298 -2.363 1.00 0.00 C ATOM 602 CD1 LEU A 600 -1.870 8.242 -2.184 1.00 0.00 C ATOM 603 CD2 LEU A 600 -0.010 8.608 -3.810 1.00 0.00 C ATOM 0 H LEU A 600 1.274 10.577 0.460 1.00 0.00 H new ATOM 0 HA LEU A 600 1.516 7.979 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.449 9.532 -0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.371 10.274 -1.971 1.00 0.00 H new ATOM 0 HG LEU A 600 0.052 7.322 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -2.289 7.496 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -2.104 7.971 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 600 -2.300 9.218 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -0.456 7.857 -4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -0.395 9.593 -4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 600 1.073 8.597 -3.931 1.00 0.00 H new ATOM 615 N ALA A 601 2.898 7.608 -2.366 1.00 0.00 N ATOM 616 CA ALA A 601 3.868 7.355 -3.423 1.00 0.00 C ATOM 617 C ALA A 601 3.185 6.807 -4.672 1.00 0.00 C ATOM 618 O ALA A 601 2.735 7.570 -5.527 1.00 0.00 O ATOM 619 CB ALA A 601 4.945 6.397 -2.935 1.00 0.00 C ATOM 0 H ALA A 601 2.443 6.770 -2.003 1.00 0.00 H new ATOM 0 HA ALA A 601 4.339 8.302 -3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.662 6.218 -3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 601 5.459 6.833 -2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 601 4.486 5.453 -2.641 1.00 0.00 H new ATOM 625 N THR A 602 3.108 5.482 -4.776 1.00 0.00 N ATOM 626 CA THR A 602 2.476 4.851 -5.926 1.00 0.00 C ATOM 627 C THR A 602 0.988 4.611 -5.690 1.00 0.00 C ATOM 628 O THR A 602 0.490 4.727 -4.564 1.00 0.00 O ATOM 629 CB THR A 602 3.158 3.519 -6.297 1.00 0.00 C ATOM 630 OG1 THR A 602 2.670 3.055 -7.561 1.00 0.00 O ATOM 631 CG2 THR A 602 2.907 2.461 -5.235 1.00 0.00 C ATOM 0 H THR A 602 3.474 4.831 -4.081 1.00 0.00 H new ATOM 0 HA THR A 602 2.593 5.546 -6.758 1.00 0.00 H new ATOM 0 HB THR A 602 4.232 3.696 -6.361 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.322 2.441 -7.958 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.400 1.532 -5.523 1.00 0.00 H new ATOM 0 HG22 THR A 602 3.306 2.802 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.835 2.289 -5.139 1.00 0.00 H new ATOM 639 N THR A 603 0.288 4.272 -6.767 1.00 0.00 N ATOM 640 CA THR A 603 -1.143 4.011 -6.712 1.00 0.00 C ATOM 641 C THR A 603 -1.494 2.803 -7.569 1.00 0.00 C ATOM 642 O THR A 603 -1.444 2.862 -8.798 1.00 0.00 O ATOM 643 CB THR A 603 -1.952 5.229 -7.194 1.00 0.00 C ATOM 644 OG1 THR A 603 -1.577 6.393 -6.447 1.00 0.00 O ATOM 645 CG2 THR A 603 -3.447 4.985 -7.042 1.00 0.00 C ATOM 0 H THR A 603 0.695 4.171 -7.697 1.00 0.00 H new ATOM 0 HA THR A 603 -1.401 3.810 -5.672 1.00 0.00 H new ATOM 0 HB THR A 603 -1.732 5.386 -8.250 1.00 0.00 H new ATOM 0 HG1 THR A 603 -2.127 6.454 -5.638 1.00 0.00 H new ATOM 0 HG21 THR A 603 -3.996 5.860 -7.389 1.00 0.00 H new ATOM 0 HG22 THR A 603 -3.736 4.117 -7.634 1.00 0.00 H new ATOM 0 HG23 THR A 603 -3.681 4.803 -5.993 1.00 0.00 H new ATOM 653 N VAL A 604 -1.834 1.704 -6.910 1.00 0.00 N ATOM 654 CA VAL A 604 -2.178 0.473 -7.605 1.00 0.00 C ATOM 655 C VAL A 604 -3.679 0.213 -7.563 1.00 0.00 C ATOM 656 O VAL A 604 -4.460 1.090 -7.192 1.00 0.00 O ATOM 657 CB VAL A 604 -1.436 -0.722 -6.986 1.00 0.00 C ATOM 658 CG1 VAL A 604 0.046 -0.656 -7.326 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.644 -0.755 -5.480 1.00 0.00 C ATOM 0 H VAL A 604 -1.879 1.641 -5.893 1.00 0.00 H new ATOM 0 HA VAL A 604 -1.874 0.590 -8.645 1.00 0.00 H new ATOM 0 HB VAL A 604 -1.844 -1.642 -7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.560 -1.508 -6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 604 0.172 -0.680 -8.408 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.469 0.268 -6.932 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.112 -1.607 -5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.262 0.166 -5.040 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.708 -0.847 -5.262 1.00 0.00 H new ATOM 669 N THR A 605 -4.075 -0.995 -7.950 1.00 0.00 N ATOM 670 CA THR A 605 -5.481 -1.374 -7.959 1.00 0.00 C ATOM 671 C THR A 605 -5.652 -2.831 -7.542 1.00 0.00 C ATOM 672 O THR A 605 -6.764 -3.282 -7.267 1.00 0.00 O ATOM 673 CB THR A 605 -6.107 -1.176 -9.351 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.265 -1.751 -10.356 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.318 0.303 -9.644 1.00 0.00 C ATOM 0 H THR A 605 -3.439 -1.729 -8.262 1.00 0.00 H new ATOM 0 HA THR A 605 -5.991 -0.727 -7.245 1.00 0.00 H new ATOM 0 HB THR A 605 -7.076 -1.675 -9.362 1.00 0.00 H new ATOM 0 HG1 THR A 605 -5.673 -1.621 -11.238 1.00 0.00 H new ATOM 0 HG21 THR A 605 -6.761 0.418 -10.633 1.00 0.00 H new ATOM 0 HG22 THR A 605 -6.985 0.731 -8.895 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.359 0.820 -9.614 1.00 0.00 H new ATOM 683 N GLY A 606 -4.540 -3.561 -7.498 1.00 0.00 N ATOM 684 CA GLY A 606 -4.583 -4.959 -7.113 1.00 0.00 C ATOM 685 C GLY A 606 -4.066 -5.191 -5.706 1.00 0.00 C ATOM 686 O GLY A 606 -4.410 -4.452 -4.783 1.00 0.00 O ATOM 0 H GLY A 606 -3.610 -3.208 -7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.609 -5.320 -7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -3.990 -5.544 -7.816 1.00 0.00 H new ATOM 690 N THR A 607 -3.241 -6.220 -5.543 1.00 0.00 N ATOM 691 CA THR A 607 -2.679 -6.547 -4.238 1.00 0.00 C ATOM 692 C THR A 607 -1.177 -6.279 -4.200 1.00 0.00 C ATOM 693 O THR A 607 -0.509 -6.578 -3.211 1.00 0.00 O ATOM 694 CB THR A 607 -2.936 -8.020 -3.871 1.00 0.00 C ATOM 695 OG1 THR A 607 -2.257 -8.883 -4.791 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.427 -8.329 -3.886 1.00 0.00 C ATOM 0 H THR A 607 -2.947 -6.841 -6.297 1.00 0.00 H new ATOM 0 HA THR A 607 -3.176 -5.906 -3.510 1.00 0.00 H new ATOM 0 HB THR A 607 -2.554 -8.191 -2.865 1.00 0.00 H new ATOM 0 HG1 THR A 607 -2.425 -9.817 -4.548 1.00 0.00 H new ATOM 0 HG21 THR A 607 -4.584 -9.375 -3.624 1.00 0.00 H new ATOM 0 HG22 THR A 607 -4.938 -7.693 -3.163 1.00 0.00 H new ATOM 0 HG23 THR A 607 -4.828 -8.140 -4.882 1.00 0.00 H new ATOM 704 N THR A 608 -0.654 -5.709 -5.282 1.00 0.00 N ATOM 705 CA THR A 608 0.768 -5.395 -5.370 1.00 0.00 C ATOM 706 C THR A 608 0.988 -3.888 -5.460 1.00 0.00 C ATOM 707 O THR A 608 0.057 -3.138 -5.741 1.00 0.00 O ATOM 708 CB THR A 608 1.421 -6.072 -6.589 1.00 0.00 C ATOM 709 OG1 THR A 608 0.525 -6.040 -7.707 1.00 0.00 O ATOM 710 CG2 THR A 608 1.791 -7.514 -6.273 1.00 0.00 C ATOM 0 H THR A 608 -1.194 -5.455 -6.110 1.00 0.00 H new ATOM 0 HA THR A 608 1.235 -5.777 -4.462 1.00 0.00 H new ATOM 0 HB THR A 608 2.330 -5.524 -6.836 1.00 0.00 H new ATOM 0 HG1 THR A 608 0.949 -6.471 -8.478 1.00 0.00 H new ATOM 0 HG21 THR A 608 2.251 -7.972 -7.149 1.00 0.00 H new ATOM 0 HG22 THR A 608 2.495 -7.535 -5.441 1.00 0.00 H new ATOM 0 HG23 THR A 608 0.893 -8.069 -6.003 1.00 0.00 H new ATOM 718 N ALA A 609 2.221 -3.451 -5.219 1.00 0.00 N ATOM 719 CA ALA A 609 2.559 -2.030 -5.273 1.00 0.00 C ATOM 720 C ALA A 609 4.017 -1.827 -5.671 1.00 0.00 C ATOM 721 O ALA A 609 4.929 -2.227 -4.946 1.00 0.00 O ATOM 722 CB ALA A 609 2.283 -1.371 -3.930 1.00 0.00 C ATOM 0 H ALA A 609 3.004 -4.061 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 609 1.933 -1.562 -6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.539 -0.313 -3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 609 1.227 -1.476 -3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.885 -1.851 -3.159 1.00 0.00 H new ATOM 728 N THR A 610 4.231 -1.205 -6.826 1.00 0.00 N ATOM 729 CA THR A 610 5.579 -0.949 -7.319 1.00 0.00 C ATOM 730 C THR A 610 5.979 0.505 -7.097 1.00 0.00 C ATOM 731 O THR A 610 5.318 1.422 -7.584 1.00 0.00 O ATOM 732 CB THR A 610 5.702 -1.283 -8.818 1.00 0.00 C ATOM 733 OG1 THR A 610 4.901 -2.427 -9.134 1.00 0.00 O ATOM 734 CG2 THR A 610 7.151 -1.553 -9.194 1.00 0.00 C ATOM 0 H THR A 610 3.488 -0.869 -7.438 1.00 0.00 H new ATOM 0 HA THR A 610 6.250 -1.596 -6.755 1.00 0.00 H new ATOM 0 HB THR A 610 5.348 -0.425 -9.389 1.00 0.00 H new ATOM 0 HG1 THR A 610 4.984 -2.631 -10.089 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.214 -1.787 -10.257 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.753 -0.670 -8.981 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.526 -2.396 -8.614 1.00 0.00 H new ATOM 742 N ILE A 611 7.067 0.708 -6.358 1.00 0.00 N ATOM 743 CA ILE A 611 7.558 2.050 -6.069 1.00 0.00 C ATOM 744 C ILE A 611 8.981 2.234 -6.584 1.00 0.00 C ATOM 745 O ILE A 611 9.892 1.504 -6.195 1.00 0.00 O ATOM 746 CB ILE A 611 7.529 2.346 -4.556 1.00 0.00 C ATOM 747 CG1 ILE A 611 6.094 2.289 -4.032 1.00 0.00 C ATOM 748 CG2 ILE A 611 8.150 3.705 -4.263 1.00 0.00 C ATOM 749 CD1 ILE A 611 5.887 1.253 -2.950 1.00 0.00 C ATOM 0 H ILE A 611 7.625 -0.041 -5.949 1.00 0.00 H new ATOM 0 HA ILE A 611 6.895 2.748 -6.580 1.00 0.00 H new ATOM 0 HB ILE A 611 8.117 1.584 -4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 611 5.819 3.269 -3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.421 2.075 -4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 611 8.120 3.895 -3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 611 9.185 3.713 -4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.590 4.481 -4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 611 4.846 1.269 -2.626 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.131 0.265 -3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.535 1.478 -2.102 1.00 0.00 H new ATOM 761 N SER A 612 9.166 3.220 -7.457 1.00 0.00 N ATOM 762 CA SER A 612 10.479 3.504 -8.023 1.00 0.00 C ATOM 763 C SER A 612 11.123 4.698 -7.324 1.00 0.00 C ATOM 764 O SER A 612 10.500 5.343 -6.479 1.00 0.00 O ATOM 765 CB SER A 612 10.364 3.776 -9.523 1.00 0.00 C ATOM 766 OG SER A 612 9.714 5.011 -9.769 1.00 0.00 O ATOM 0 H SER A 612 8.423 3.835 -7.787 1.00 0.00 H new ATOM 0 HA SER A 612 11.112 2.630 -7.869 1.00 0.00 H new ATOM 0 HB2 SER A 612 11.358 3.789 -9.971 1.00 0.00 H new ATOM 0 HB3 SER A 612 9.810 2.968 -10.001 1.00 0.00 H new ATOM 0 HG SER A 612 9.654 5.163 -10.735 1.00 0.00 H new ATOM 772 N GLY A 613 12.371 4.985 -7.678 1.00 0.00 N ATOM 773 CA GLY A 613 13.078 6.099 -7.071 1.00 0.00 C ATOM 774 C GLY A 613 13.316 5.892 -5.589 1.00 0.00 C ATOM 775 O GLY A 613 12.880 6.695 -4.764 1.00 0.00 O ATOM 0 H GLY A 613 12.906 4.466 -8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 613 14.035 6.236 -7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.505 7.014 -7.220 1.00 0.00 H new ATOM 779 N LEU A 614 14.007 4.806 -5.250 1.00 0.00 N ATOM 780 CA LEU A 614 14.302 4.485 -3.858 1.00 0.00 C ATOM 781 C LEU A 614 15.808 4.418 -3.622 1.00 0.00 C ATOM 782 O LEU A 614 16.541 3.801 -4.394 1.00 0.00 O ATOM 783 CB LEU A 614 13.653 3.149 -3.480 1.00 0.00 C ATOM 784 CG LEU A 614 12.512 3.218 -2.456 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.724 4.513 -2.588 1.00 0.00 C ATOM 786 CD2 LEU A 614 11.591 2.019 -2.619 1.00 0.00 C ATOM 0 H LEU A 614 14.373 4.133 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 614 13.891 5.275 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 614 13.271 2.684 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.428 2.491 -3.087 1.00 0.00 H new ATOM 0 HG LEU A 614 12.952 3.198 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.924 4.529 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 614 12.388 5.361 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 614 11.295 4.577 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.785 2.077 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 614 11.170 2.018 -3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 614 12.157 1.101 -2.462 1.00 0.00 H new ATOM 798 N ALA A 615 16.262 5.059 -2.549 1.00 0.00 N ATOM 799 CA ALA A 615 17.681 5.074 -2.210 1.00 0.00 C ATOM 800 C ALA A 615 18.126 3.733 -1.637 1.00 0.00 C ATOM 801 O ALA A 615 17.304 2.936 -1.185 1.00 0.00 O ATOM 802 CB ALA A 615 17.972 6.193 -1.221 1.00 0.00 C ATOM 0 H ALA A 615 15.668 5.575 -1.900 1.00 0.00 H new ATOM 0 HA ALA A 615 18.246 5.252 -3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 615 19.034 6.194 -0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 615 17.701 7.151 -1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 615 17.390 6.037 -0.313 1.00 0.00 H new ATOM 808 N ALA A 616 19.434 3.491 -1.660 1.00 0.00 N ATOM 809 CA ALA A 616 19.997 2.247 -1.143 1.00 0.00 C ATOM 810 C ALA A 616 20.343 2.377 0.337 1.00 0.00 C ATOM 811 O ALA A 616 20.728 3.450 0.801 1.00 0.00 O ATOM 812 CB ALA A 616 21.230 1.857 -1.944 1.00 0.00 C ATOM 0 H ALA A 616 20.125 4.142 -2.032 1.00 0.00 H new ATOM 0 HA ALA A 616 19.247 1.463 -1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 616 21.641 0.928 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 616 20.955 1.717 -2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 616 21.978 2.646 -1.868 1.00 0.00 H new ATOM 818 N ASP A 617 20.206 1.274 1.073 1.00 0.00 N ATOM 819 CA ASP A 617 20.504 1.260 2.504 1.00 0.00 C ATOM 820 C ASP A 617 19.750 2.371 3.229 1.00 0.00 C ATOM 821 O ASP A 617 20.347 3.173 3.949 1.00 0.00 O ATOM 822 CB ASP A 617 22.009 1.410 2.736 1.00 0.00 C ATOM 823 CG ASP A 617 22.790 0.188 2.294 1.00 0.00 C ATOM 824 OD1 ASP A 617 22.219 -0.922 2.318 1.00 0.00 O ATOM 825 OD2 ASP A 617 23.973 0.342 1.921 1.00 0.00 O ATOM 0 H ASP A 617 19.890 0.378 0.701 1.00 0.00 H new ATOM 0 HA ASP A 617 20.177 0.302 2.908 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.371 2.284 2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.194 1.592 3.795 1.00 0.00 H new ATOM 830 N THR A 618 18.437 2.413 3.031 1.00 0.00 N ATOM 831 CA THR A 618 17.601 3.427 3.661 1.00 0.00 C ATOM 832 C THR A 618 16.343 2.809 4.260 1.00 0.00 C ATOM 833 O THR A 618 15.757 1.889 3.686 1.00 0.00 O ATOM 834 CB THR A 618 17.194 4.518 2.653 1.00 0.00 C ATOM 835 OG1 THR A 618 18.282 4.794 1.763 1.00 0.00 O ATOM 836 CG2 THR A 618 16.783 5.796 3.371 1.00 0.00 C ATOM 0 H THR A 618 17.929 1.756 2.439 1.00 0.00 H new ATOM 0 HA THR A 618 18.193 3.878 4.457 1.00 0.00 H new ATOM 0 HB THR A 618 16.341 4.152 2.082 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.434 5.761 1.723 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.500 6.551 2.637 1.00 0.00 H new ATOM 0 HG22 THR A 618 15.935 5.590 4.024 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.619 6.164 3.966 1.00 0.00 H new ATOM 844 N SER A 619 15.928 3.321 5.415 1.00 0.00 N ATOM 845 CA SER A 619 14.735 2.823 6.090 1.00 0.00 C ATOM 846 C SER A 619 13.480 3.407 5.453 1.00 0.00 C ATOM 847 O SER A 619 13.432 4.594 5.131 1.00 0.00 O ATOM 848 CB SER A 619 14.779 3.172 7.580 1.00 0.00 C ATOM 849 OG SER A 619 13.474 3.273 8.121 1.00 0.00 O ATOM 0 H SER A 619 16.401 4.081 5.903 1.00 0.00 H new ATOM 0 HA SER A 619 14.709 1.738 5.985 1.00 0.00 H new ATOM 0 HB2 SER A 619 15.341 2.409 8.119 1.00 0.00 H new ATOM 0 HB3 SER A 619 15.308 4.115 7.720 1.00 0.00 H new ATOM 0 HG SER A 619 13.531 3.495 9.074 1.00 0.00 H new ATOM 855 N TYR A 620 12.467 2.565 5.265 1.00 0.00 N ATOM 856 CA TYR A 620 11.218 3.002 4.654 1.00 0.00 C ATOM 857 C TYR A 620 10.009 2.391 5.356 1.00 0.00 C ATOM 858 O TYR A 620 9.978 1.193 5.633 1.00 0.00 O ATOM 859 CB TYR A 620 11.197 2.625 3.173 1.00 0.00 C ATOM 860 CG TYR A 620 12.143 3.445 2.324 1.00 0.00 C ATOM 861 CD1 TYR A 620 11.944 4.808 2.146 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.236 2.855 1.702 1.00 0.00 C ATOM 863 CE1 TYR A 620 12.806 5.560 1.373 1.00 0.00 C ATOM 864 CE2 TYR A 620 14.104 3.601 0.927 1.00 0.00 C ATOM 865 CZ TYR A 620 13.885 4.953 0.765 1.00 0.00 C ATOM 866 OH TYR A 620 14.747 5.699 -0.006 1.00 0.00 O ATOM 0 H TYR A 620 12.488 1.579 5.527 1.00 0.00 H new ATOM 0 HA TYR A 620 11.160 4.086 4.757 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.453 1.570 3.072 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.183 2.745 2.791 1.00 0.00 H new ATOM 0 HD1 TYR A 620 11.101 5.288 2.620 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.410 1.796 1.826 1.00 0.00 H new ATOM 0 HE1 TYR A 620 12.636 6.619 1.245 1.00 0.00 H new ATOM 0 HE2 TYR A 620 14.950 3.127 0.451 1.00 0.00 H new ATOM 0 HH TYR A 620 15.374 6.179 0.575 1.00 0.00 H new ATOM 876 N THR A 621 9.010 3.226 5.624 1.00 0.00 N ATOM 877 CA THR A 621 7.786 2.776 6.274 1.00 0.00 C ATOM 878 C THR A 621 6.601 2.944 5.330 1.00 0.00 C ATOM 879 O THR A 621 6.238 4.065 4.973 1.00 0.00 O ATOM 880 CB THR A 621 7.512 3.558 7.571 1.00 0.00 C ATOM 881 OG1 THR A 621 8.671 4.313 7.943 1.00 0.00 O ATOM 882 CG2 THR A 621 7.132 2.611 8.700 1.00 0.00 C ATOM 0 H THR A 621 9.025 4.221 5.400 1.00 0.00 H new ATOM 0 HA THR A 621 7.917 1.724 6.527 1.00 0.00 H new ATOM 0 HB THR A 621 6.680 4.239 7.392 1.00 0.00 H new ATOM 0 HG1 THR A 621 8.487 4.809 8.768 1.00 0.00 H new ATOM 0 HG21 THR A 621 6.943 3.184 9.608 1.00 0.00 H new ATOM 0 HG22 THR A 621 6.233 2.059 8.425 1.00 0.00 H new ATOM 0 HG23 THR A 621 7.948 1.910 8.877 1.00 0.00 H new ATOM 890 N PHE A 622 6.015 1.828 4.908 1.00 0.00 N ATOM 891 CA PHE A 622 4.890 1.869 3.981 1.00 0.00 C ATOM 892 C PHE A 622 3.570 1.502 4.653 1.00 0.00 C ATOM 893 O PHE A 622 3.543 0.877 5.713 1.00 0.00 O ATOM 894 CB PHE A 622 5.145 0.930 2.803 1.00 0.00 C ATOM 895 CG PHE A 622 6.374 1.283 2.014 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.445 2.475 1.313 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.457 0.420 1.972 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.572 2.801 0.585 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.588 0.740 1.246 1.00 0.00 C ATOM 900 CZ PHE A 622 8.649 1.939 0.558 1.00 0.00 C ATOM 0 H PHE A 622 6.298 0.890 5.191 1.00 0.00 H new ATOM 0 HA PHE A 622 4.805 2.896 3.626 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.242 -0.090 3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.280 0.947 2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.609 3.158 1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.417 -0.514 2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.611 3.731 0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.423 0.056 1.216 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.537 2.199 0.001 1.00 0.00 H new ATOM 910 N THR A 623 2.480 1.896 4.002 1.00 0.00 N ATOM 911 CA THR A 623 1.133 1.626 4.488 1.00 0.00 C ATOM 912 C THR A 623 0.147 1.665 3.327 1.00 0.00 C ATOM 913 O THR A 623 0.152 2.606 2.536 1.00 0.00 O ATOM 914 CB THR A 623 0.698 2.652 5.550 1.00 0.00 C ATOM 915 OG1 THR A 623 1.347 3.908 5.313 1.00 0.00 O ATOM 916 CG2 THR A 623 1.032 2.160 6.949 1.00 0.00 C ATOM 0 H THR A 623 2.507 2.412 3.122 1.00 0.00 H new ATOM 0 HA THR A 623 1.139 0.637 4.945 1.00 0.00 H new ATOM 0 HB THR A 623 -0.382 2.781 5.476 1.00 0.00 H new ATOM 0 HG1 THR A 623 1.064 4.556 5.992 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.715 2.903 7.681 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.514 1.220 7.138 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.108 2.004 7.033 1.00 0.00 H new ATOM 924 N VAL A 624 -0.689 0.640 3.214 1.00 0.00 N ATOM 925 CA VAL A 624 -1.657 0.583 2.124 1.00 0.00 C ATOM 926 C VAL A 624 -3.041 1.026 2.576 1.00 0.00 C ATOM 927 O VAL A 624 -3.402 0.894 3.746 1.00 0.00 O ATOM 928 CB VAL A 624 -1.755 -0.825 1.509 1.00 0.00 C ATOM 929 CG1 VAL A 624 -1.171 -0.829 0.107 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.057 -1.856 2.385 1.00 0.00 C ATOM 0 H VAL A 624 -0.718 -0.154 3.854 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.292 1.273 1.363 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.809 -1.098 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.247 -1.831 -0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.723 -0.128 -0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 624 -0.123 -0.531 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.142 -2.841 1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.004 -1.593 2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -1.524 -1.873 3.370 1.00 0.00 H new ATOM 940 N LYS A 625 -3.810 1.556 1.631 1.00 0.00 N ATOM 941 CA LYS A 625 -5.158 2.030 1.911 1.00 0.00 C ATOM 942 C LYS A 625 -6.106 1.685 0.769 1.00 0.00 C ATOM 943 O LYS A 625 -5.728 1.738 -0.402 1.00 0.00 O ATOM 944 CB LYS A 625 -5.137 3.536 2.143 1.00 0.00 C ATOM 945 CG LYS A 625 -4.867 3.908 3.588 1.00 0.00 C ATOM 946 CD LYS A 625 -5.971 4.784 4.138 1.00 0.00 C ATOM 947 CE LYS A 625 -5.565 5.449 5.442 1.00 0.00 C ATOM 948 NZ LYS A 625 -6.361 6.679 5.708 1.00 0.00 N ATOM 0 H LYS A 625 -3.520 1.668 0.660 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.520 1.533 2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -4.373 3.985 1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -6.094 3.959 1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.782 3.003 4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -3.913 4.430 3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.228 5.548 3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -6.866 4.183 4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -5.697 4.746 6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -4.506 5.703 5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -6.054 7.104 6.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -6.216 7.360 4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -7.370 6.433 5.768 1.00 0.00 H new ATOM 962 N ALA A 626 -7.340 1.327 1.115 1.00 0.00 N ATOM 963 CA ALA A 626 -8.340 0.972 0.115 1.00 0.00 C ATOM 964 C ALA A 626 -9.321 2.116 -0.111 1.00 0.00 C ATOM 965 O ALA A 626 -9.973 2.580 0.823 1.00 0.00 O ATOM 966 CB ALA A 626 -9.084 -0.287 0.533 1.00 0.00 C ATOM 0 H ALA A 626 -7.670 1.275 2.079 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.823 0.779 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.827 -0.539 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.377 -1.110 0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.582 -0.115 1.487 1.00 0.00 H new ATOM 972 N LYS A 627 -9.422 2.563 -1.357 1.00 0.00 N ATOM 973 CA LYS A 627 -10.327 3.651 -1.708 1.00 0.00 C ATOM 974 C LYS A 627 -11.436 3.159 -2.631 1.00 0.00 C ATOM 975 O LYS A 627 -11.239 2.226 -3.410 1.00 0.00 O ATOM 976 CB LYS A 627 -9.554 4.790 -2.378 1.00 0.00 C ATOM 977 CG LYS A 627 -8.462 4.314 -3.322 1.00 0.00 C ATOM 978 CD LYS A 627 -8.085 5.392 -4.324 1.00 0.00 C ATOM 979 CE LYS A 627 -8.594 5.063 -5.717 1.00 0.00 C ATOM 980 NZ LYS A 627 -8.564 6.250 -6.614 1.00 0.00 N ATOM 0 H LYS A 627 -8.888 2.189 -2.142 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.782 4.023 -0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.254 5.416 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -9.107 5.417 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.582 4.026 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -8.801 3.424 -3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -8.496 6.349 -4.002 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -7.001 5.503 -4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -7.986 4.268 -6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -9.614 4.684 -5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -8.919 5.983 -7.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -9.165 7.000 -6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -7.587 6.597 -6.698 1.00 0.00 H new ATOM 994 N ASP A 628 -12.602 3.791 -2.539 1.00 0.00 N ATOM 995 CA ASP A 628 -13.743 3.414 -3.365 1.00 0.00 C ATOM 996 C ASP A 628 -13.979 4.436 -4.472 1.00 0.00 C ATOM 997 O ASP A 628 -13.247 5.419 -4.590 1.00 0.00 O ATOM 998 CB ASP A 628 -15.002 3.280 -2.506 1.00 0.00 C ATOM 999 CG ASP A 628 -14.948 2.082 -1.579 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -14.156 1.156 -1.853 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -15.697 2.070 -0.580 1.00 0.00 O ATOM 0 H ASP A 628 -12.781 4.566 -1.901 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.520 2.451 -3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.133 4.187 -1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -15.873 3.194 -3.155 1.00 0.00 H new ATOM 1006 N ALA A 629 -15.010 4.198 -5.277 1.00 0.00 N ATOM 1007 CA ALA A 629 -15.351 5.098 -6.374 1.00 0.00 C ATOM 1008 C ALA A 629 -16.333 6.170 -5.912 1.00 0.00 C ATOM 1009 O ALA A 629 -17.232 6.565 -6.655 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.930 4.311 -7.541 1.00 0.00 C ATOM 0 H ALA A 629 -15.625 3.389 -5.190 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.439 5.595 -6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -16.180 4.995 -8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -15.195 3.586 -7.891 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.830 3.788 -7.217 1.00 0.00 H new ATOM 1016 N ALA A 630 -16.155 6.637 -4.680 1.00 0.00 N ATOM 1017 CA ALA A 630 -17.025 7.663 -4.117 1.00 0.00 C ATOM 1018 C ALA A 630 -16.244 8.616 -3.220 1.00 0.00 C ATOM 1019 O ALA A 630 -16.825 9.480 -2.563 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.163 7.017 -3.340 1.00 0.00 C ATOM 0 H ALA A 630 -15.416 6.321 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 630 -17.442 8.243 -4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.806 7.793 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -18.745 6.382 -4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.754 6.413 -2.531 1.00 0.00 H new ATOM 1026 N GLY A 631 -14.924 8.455 -3.196 1.00 0.00 N ATOM 1027 CA GLY A 631 -14.087 9.309 -2.374 1.00 0.00 C ATOM 1028 C GLY A 631 -14.027 8.846 -0.932 1.00 0.00 C ATOM 1029 O GLY A 631 -13.624 9.601 -0.047 1.00 0.00 O ATOM 0 H GLY A 631 -14.420 7.748 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -13.079 9.331 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -14.469 10.329 -2.409 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.431 7.601 -0.696 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.422 7.036 0.647 1.00 0.00 C ATOM 1035 C ASN A 632 -13.289 6.026 0.802 1.00 0.00 C ATOM 1036 O ASN A 632 -13.315 4.953 0.198 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.764 6.366 0.951 1.00 0.00 C ATOM 1038 CG ASN A 632 -16.944 7.262 0.629 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -17.868 6.860 -0.079 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -16.920 8.486 1.147 1.00 0.00 N ATOM 0 H ASN A 632 -14.769 6.965 -1.419 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.262 7.848 1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.845 5.443 0.376 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.798 6.089 2.005 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -17.687 9.133 0.963 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -16.135 8.778 1.728 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.297 6.375 1.613 1.00 0.00 N ATOM 1048 CA VAL A 633 -11.155 5.499 1.845 1.00 0.00 C ATOM 1049 C VAL A 633 -11.167 4.939 3.265 1.00 0.00 C ATOM 1050 O VAL A 633 -11.571 5.617 4.209 1.00 0.00 O ATOM 1051 CB VAL A 633 -9.822 6.232 1.594 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -9.602 7.315 2.636 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -8.662 5.248 1.586 1.00 0.00 C ATOM 0 H VAL A 633 -12.261 7.259 2.121 1.00 0.00 H new ATOM 0 HA VAL A 633 -11.240 4.674 1.138 1.00 0.00 H new ATOM 0 HB VAL A 633 -9.872 6.707 0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -8.656 7.820 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -10.416 8.038 2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -9.575 6.865 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -7.730 5.785 1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -8.609 4.740 2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -8.814 4.513 0.796 1.00 0.00 H new ATOM 1063 N SER A 634 -10.726 3.692 3.405 1.00 0.00 N ATOM 1064 CA SER A 634 -10.686 3.034 4.705 1.00 0.00 C ATOM 1065 C SER A 634 -9.477 3.494 5.514 1.00 0.00 C ATOM 1066 O SER A 634 -8.874 4.525 5.217 1.00 0.00 O ATOM 1067 CB SER A 634 -10.649 1.515 4.527 1.00 0.00 C ATOM 1068 OG SER A 634 -11.634 0.886 5.328 1.00 0.00 O ATOM 0 H SER A 634 -10.391 3.117 2.632 1.00 0.00 H new ATOM 0 HA SER A 634 -11.588 3.308 5.252 1.00 0.00 H new ATOM 0 HB2 SER A 634 -10.813 1.264 3.479 1.00 0.00 H new ATOM 0 HB3 SER A 634 -9.662 1.138 4.795 1.00 0.00 H new ATOM 0 HG SER A 634 -12.481 0.850 4.837 1.00 0.00 H new ATOM 1074 N ALA A 635 -9.128 2.720 6.539 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.992 3.045 7.393 1.00 0.00 C ATOM 1076 C ALA A 635 -6.681 2.594 6.758 1.00 0.00 C ATOM 1077 O ALA A 635 -6.672 2.011 5.674 1.00 0.00 O ATOM 1078 CB ALA A 635 -8.164 2.405 8.763 1.00 0.00 C ATOM 0 H ALA A 635 -9.617 1.863 6.797 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.955 4.128 7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.309 2.655 9.391 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -9.077 2.778 9.227 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -8.229 1.322 8.653 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.574 2.872 7.440 1.00 0.00 N ATOM 1085 CA ALA A 636 -4.256 2.499 6.942 1.00 0.00 C ATOM 1086 C ALA A 636 -3.851 1.110 7.431 1.00 0.00 C ATOM 1087 O ALA A 636 -4.213 0.698 8.533 1.00 0.00 O ATOM 1088 CB ALA A 636 -3.222 3.531 7.366 1.00 0.00 C ATOM 0 H ALA A 636 -5.564 3.354 8.339 1.00 0.00 H new ATOM 0 HA ALA A 636 -4.303 2.470 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -2.242 3.241 6.988 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.493 4.506 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -3.189 3.587 8.454 1.00 0.00 H new ATOM 1094 N SER A 637 -3.094 0.398 6.602 1.00 0.00 N ATOM 1095 CA SER A 637 -2.632 -0.943 6.943 1.00 0.00 C ATOM 1096 C SER A 637 -1.445 -0.879 7.899 1.00 0.00 C ATOM 1097 O SER A 637 -1.032 0.202 8.316 1.00 0.00 O ATOM 1098 CB SER A 637 -2.239 -1.704 5.683 1.00 0.00 C ATOM 1099 OG SER A 637 -2.112 -3.092 5.938 1.00 0.00 O ATOM 0 H SER A 637 -2.787 0.728 5.687 1.00 0.00 H new ATOM 0 HA SER A 637 -3.450 -1.468 7.437 1.00 0.00 H new ATOM 0 HB2 SER A 637 -2.989 -1.542 4.909 1.00 0.00 H new ATOM 0 HB3 SER A 637 -1.296 -1.315 5.300 1.00 0.00 H new ATOM 0 HG SER A 637 -2.957 -3.542 5.729 1.00 0.00 H new ATOM 1105 N ASN A 638 -0.897 -2.043 8.236 1.00 0.00 N ATOM 1106 CA ASN A 638 0.247 -2.113 9.137 1.00 0.00 C ATOM 1107 C ASN A 638 1.467 -1.455 8.504 1.00 0.00 C ATOM 1108 O ASN A 638 1.688 -1.566 7.299 1.00 0.00 O ATOM 1109 CB ASN A 638 0.564 -3.568 9.488 1.00 0.00 C ATOM 1110 CG ASN A 638 0.781 -3.771 10.974 1.00 0.00 C ATOM 1111 OD1 ASN A 638 0.123 -4.601 11.602 1.00 0.00 O ATOM 1112 ND2 ASN A 638 1.709 -3.012 11.546 1.00 0.00 N ATOM 0 H ASN A 638 -1.226 -2.948 7.899 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.007 -1.577 10.052 1.00 0.00 H new ATOM 0 HB2 ASN A 638 -0.254 -4.206 9.153 1.00 0.00 H new ATOM 0 HB3 ASN A 638 1.456 -3.883 8.947 1.00 0.00 H new ATOM 0 HD21 ASN A 638 1.900 -3.105 12.544 1.00 0.00 H new ATOM 0 HD22 ASN A 638 2.231 -2.337 10.987 1.00 0.00 H new ATOM 1119 N ALA A 639 2.258 -0.770 9.324 1.00 0.00 N ATOM 1120 CA ALA A 639 3.455 -0.095 8.838 1.00 0.00 C ATOM 1121 C ALA A 639 4.605 -1.080 8.668 1.00 0.00 C ATOM 1122 O ALA A 639 5.031 -1.726 9.626 1.00 0.00 O ATOM 1123 CB ALA A 639 3.851 1.025 9.788 1.00 0.00 C ATOM 0 H ALA A 639 2.092 -0.668 10.325 1.00 0.00 H new ATOM 0 HA ALA A 639 3.231 0.335 7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.746 1.521 9.413 1.00 0.00 H new ATOM 0 HB2 ALA A 639 3.038 1.748 9.857 1.00 0.00 H new ATOM 0 HB3 ALA A 639 4.053 0.610 10.776 1.00 0.00 H new ATOM 1129 N VAL A 640 5.103 -1.191 7.440 1.00 0.00 N ATOM 1130 CA VAL A 640 6.203 -2.097 7.139 1.00 0.00 C ATOM 1131 C VAL A 640 7.530 -1.347 7.062 1.00 0.00 C ATOM 1132 O VAL A 640 7.660 -0.365 6.331 1.00 0.00 O ATOM 1133 CB VAL A 640 5.963 -2.849 5.813 1.00 0.00 C ATOM 1134 CG1 VAL A 640 5.763 -1.873 4.665 1.00 0.00 C ATOM 1135 CG2 VAL A 640 7.113 -3.801 5.515 1.00 0.00 C ATOM 0 H VAL A 640 4.761 -0.663 6.637 1.00 0.00 H new ATOM 0 HA VAL A 640 6.251 -2.821 7.952 1.00 0.00 H new ATOM 0 HB VAL A 640 5.052 -3.438 5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 640 5.596 -2.427 3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 640 4.899 -1.241 4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 640 6.651 -1.250 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 640 6.922 -4.320 4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 640 8.042 -3.236 5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 640 7.200 -4.530 6.321 1.00 0.00 H new ATOM 1145 N SER A 641 8.514 -1.818 7.821 1.00 0.00 N ATOM 1146 CA SER A 641 9.833 -1.195 7.836 1.00 0.00 C ATOM 1147 C SER A 641 10.840 -2.059 7.083 1.00 0.00 C ATOM 1148 O SER A 641 11.441 -2.970 7.655 1.00 0.00 O ATOM 1149 CB SER A 641 10.302 -0.976 9.276 1.00 0.00 C ATOM 1150 OG SER A 641 10.900 0.299 9.430 1.00 0.00 O ATOM 0 H SER A 641 8.423 -2.629 8.433 1.00 0.00 H new ATOM 0 HA SER A 641 9.762 -0.228 7.339 1.00 0.00 H new ATOM 0 HB2 SER A 641 9.455 -1.068 9.956 1.00 0.00 H new ATOM 0 HB3 SER A 641 11.017 -1.752 9.551 1.00 0.00 H new ATOM 0 HG SER A 641 11.189 0.415 10.359 1.00 0.00 H new ATOM 1156 N VAL A 642 11.015 -1.772 5.796 1.00 0.00 N ATOM 1157 CA VAL A 642 11.945 -2.528 4.965 1.00 0.00 C ATOM 1158 C VAL A 642 13.267 -1.786 4.800 1.00 0.00 C ATOM 1159 O VAL A 642 13.322 -0.562 4.919 1.00 0.00 O ATOM 1160 CB VAL A 642 11.352 -2.808 3.569 1.00 0.00 C ATOM 1161 CG1 VAL A 642 10.218 -3.817 3.659 1.00 0.00 C ATOM 1162 CG2 VAL A 642 10.874 -1.516 2.924 1.00 0.00 C ATOM 0 H VAL A 642 10.525 -1.022 5.307 1.00 0.00 H new ATOM 0 HA VAL A 642 12.123 -3.475 5.475 1.00 0.00 H new ATOM 0 HB VAL A 642 12.136 -3.234 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 642 9.814 -4.000 2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 642 10.595 -4.751 4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 642 9.431 -3.424 4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 642 10.459 -1.733 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.107 -1.059 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 642 11.714 -0.829 2.820 1.00 0.00 H new ATOM 1172 N LYS A 643 14.328 -2.536 4.523 1.00 0.00 N ATOM 1173 CA LYS A 643 15.651 -1.950 4.340 1.00 0.00 C ATOM 1174 C LYS A 643 16.128 -2.130 2.903 1.00 0.00 C ATOM 1175 O LYS A 643 16.294 -3.255 2.431 1.00 0.00 O ATOM 1176 CB LYS A 643 16.657 -2.585 5.302 1.00 0.00 C ATOM 1177 CG LYS A 643 16.054 -2.987 6.640 1.00 0.00 C ATOM 1178 CD LYS A 643 16.899 -4.042 7.337 1.00 0.00 C ATOM 1179 CE LYS A 643 18.057 -3.414 8.096 1.00 0.00 C ATOM 1180 NZ LYS A 643 19.358 -4.054 7.756 1.00 0.00 N ATOM 0 H LYS A 643 14.298 -3.550 4.420 1.00 0.00 H new ATOM 0 HA LYS A 643 15.579 -0.884 4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 643 17.091 -3.466 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 643 17.472 -1.883 5.477 1.00 0.00 H new ATOM 0 HG2 LYS A 643 15.966 -2.109 7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 643 15.046 -3.371 6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 643 16.276 -4.611 8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 643 17.285 -4.746 6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 643 18.106 -2.349 7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 643 17.879 -3.502 9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 20.121 -3.597 8.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 19.321 -5.065 7.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 19.541 -3.948 6.738 1.00 0.00 H new ATOM 1194 N THR A 644 16.348 -1.017 2.214 1.00 0.00 N ATOM 1195 CA THR A 644 16.807 -1.054 0.832 1.00 0.00 C ATOM 1196 C THR A 644 18.318 -1.240 0.761 1.00 0.00 C ATOM 1197 O THR A 644 18.867 -1.191 -0.359 1.00 0.00 O ATOM 1198 CB THR A 644 16.424 0.228 0.077 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.724 1.377 0.876 1.00 0.00 O ATOM 1200 CG2 THR A 644 14.945 0.224 -0.281 1.00 0.00 C ATOM 1201 OXT THR A 644 18.940 -1.432 1.827 1.00 0.00 O ATOM 0 H THR A 644 16.216 -0.078 2.590 1.00 0.00 H new ATOM 0 HA THR A 644 16.315 -1.904 0.359 1.00 0.00 H new ATOM 0 HB THR A 644 17.005 0.267 -0.845 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.856 2.155 0.294 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.697 1.141 -0.815 1.00 0.00 H new ATOM 0 HG22 THR A 644 14.726 -0.635 -0.915 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.350 0.163 0.630 1.00 0.00 H new