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 572 THR OG1 : rot -76:sc= 1.55 USER MOD Set 1.2: A 574 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 575 SER OG : rot 180:sc= 0.00868 USER MOD Set 2.1: A 569 THR OG1 : rot 180:sc= 0.165 USER MOD Set 2.2: A 579 SER OG : rot -110:sc= -0.0501 USER MOD Set 3.1: A 568 SER OG : rot 31:sc= 0.127 USER MOD Set 3.2: A 571 GLN : amide:sc= -0.571 X(o=-0.44,f=-0.038) USER MOD Single : A 561 THR OG1 : rot -120:sc= 0.521 USER MOD Single : A 564 THR OG1 : rot 180:sc= -0.079 USER MOD Single : A 565 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 573 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 577 THR OG1 : rot -162:sc= -0.917 USER MOD Single : A 581 THR OG1 : rot 87:sc= 0.579 USER MOD Single : A 583 SER OG : rot 180:sc= -0.0303 USER MOD Single : A 584 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 586 ASN : amide:sc= -0.441 K(o=-0.44,f=-1.4) USER MOD Single : A 590 THR OG1 : rot 180:sc= 0 USER MOD Single : A 592 TYR OH : rot 30:sc= 0.324 USER MOD Single : A 595 TYR OH : rot 180:sc= 0 USER MOD Single : A 596 ASN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 598 THR OG1 : rot 180:sc= 0 USER MOD Single : A 602 THR OG1 : rot 156:sc= 0.639 USER MOD Single : A 603 THR OG1 : rot 180:sc= 0 USER MOD Single : A 605 THR OG1 : rot 180:sc= 0 USER MOD Single : A 607 THR OG1 : rot 180:sc= 0 USER MOD Single : A 608 THR OG1 : rot 180:sc= 0 USER MOD Single : A 610 THR OG1 : rot 180:sc= 0 USER MOD Single : A 612 SER OG : rot 180:sc= 0 USER MOD Single : A 618 THR OG1 : rot 87:sc= 0.526 USER MOD Single : A 619 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 620 TYR OH : rot 30:sc= -1.09 USER MOD Single : A 621 THR OG1 : rot 180:sc= 0 USER MOD Single : A 623 THR OG1 : rot 180:sc= -0.0495 USER MOD Single : A 625 LYS NZ :NH3+ -174:sc= 0.128 (180deg=0.12) USER MOD Single : A 627 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 632 ASN : amide:sc=-0.00644 X(o=-0.0064,f=-0.28) USER MOD Single : A 634 SER OG : rot 86:sc= -1.54! USER MOD Single : A 637 SER OG : rot 120:sc= -0.619 USER MOD Single : A 638 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 641 SER OG : rot 180:sc= 0.0764 USER MOD Single : A 643 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 644 THR OG1 : rot -68:sc= 0.467 USER MOD ----------------------------------------------------------------- ATOM 38 N ALA A 559 -17.465 3.445 3.555 1.00 0.00 N ATOM 39 CA ALA A 559 -16.022 3.301 3.397 1.00 0.00 C ATOM 40 C ALA A 559 -15.614 1.829 3.400 1.00 0.00 C ATOM 41 O ALA A 559 -16.163 1.027 4.157 1.00 0.00 O ATOM 42 CB ALA A 559 -15.292 4.057 4.498 1.00 0.00 C ATOM 0 HA ALA A 559 -15.742 3.727 2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 559 -14.216 3.941 4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 559 -15.552 5.114 4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 559 -15.585 3.658 5.469 1.00 0.00 H new ATOM 48 N PRO A 560 -14.641 1.452 2.550 1.00 0.00 N ATOM 49 CA PRO A 560 -14.161 0.067 2.458 1.00 0.00 C ATOM 50 C PRO A 560 -13.359 -0.354 3.684 1.00 0.00 C ATOM 51 O PRO A 560 -13.183 0.424 4.622 1.00 0.00 O ATOM 52 CB PRO A 560 -13.270 0.083 1.218 1.00 0.00 C ATOM 53 CG PRO A 560 -12.796 1.491 1.115 1.00 0.00 C ATOM 54 CD PRO A 560 -13.930 2.343 1.611 1.00 0.00 C ATOM 0 HA PRO A 560 -14.984 -0.645 2.400 1.00 0.00 H new ATOM 0 HB2 PRO A 560 -12.435 -0.610 1.321 1.00 0.00 H new ATOM 0 HB3 PRO A 560 -13.824 -0.215 0.328 1.00 0.00 H new ATOM 0 HG2 PRO A 560 -11.899 1.646 1.715 1.00 0.00 H new ATOM 0 HG3 PRO A 560 -12.539 1.743 0.086 1.00 0.00 H new ATOM 0 HD2 PRO A 560 -13.569 3.244 2.107 1.00 0.00 H new ATOM 0 HD3 PRO A 560 -14.577 2.666 0.795 1.00 0.00 H new ATOM 62 N THR A 561 -12.875 -1.593 3.668 1.00 0.00 N ATOM 63 CA THR A 561 -12.090 -2.122 4.777 1.00 0.00 C ATOM 64 C THR A 561 -10.597 -1.937 4.531 1.00 0.00 C ATOM 65 O THR A 561 -10.106 -2.169 3.425 1.00 0.00 O ATOM 66 CB THR A 561 -12.384 -3.616 5.015 1.00 0.00 C ATOM 67 OG1 THR A 561 -11.449 -4.424 4.290 1.00 0.00 O ATOM 68 CG2 THR A 561 -13.803 -3.966 4.584 1.00 0.00 C ATOM 0 H THR A 561 -13.013 -2.249 2.899 1.00 0.00 H new ATOM 0 HA THR A 561 -12.380 -1.560 5.665 1.00 0.00 H new ATOM 0 HB THR A 561 -12.285 -3.815 6.082 1.00 0.00 H new ATOM 0 HG1 THR A 561 -11.932 -4.994 3.656 1.00 0.00 H new ATOM 0 HG21 THR A 561 -13.986 -5.026 4.762 1.00 0.00 H new ATOM 0 HG22 THR A 561 -14.515 -3.373 5.159 1.00 0.00 H new ATOM 0 HG23 THR A 561 -13.925 -3.750 3.523 1.00 0.00 H new ATOM 76 N ALA A 562 -9.881 -1.514 5.567 1.00 0.00 N ATOM 77 CA ALA A 562 -8.443 -1.290 5.470 1.00 0.00 C ATOM 78 C ALA A 562 -7.691 -2.591 5.188 1.00 0.00 C ATOM 79 O ALA A 562 -7.889 -3.590 5.879 1.00 0.00 O ATOM 80 CB ALA A 562 -7.927 -0.657 6.753 1.00 0.00 C ATOM 0 H ALA A 562 -10.275 -1.319 6.487 1.00 0.00 H new ATOM 0 HA ALA A 562 -8.265 -0.613 4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 562 -6.852 -0.493 6.671 1.00 0.00 H new ATOM 0 HB2 ALA A 562 -8.428 0.297 6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 562 -8.130 -1.321 7.593 1.00 0.00 H new ATOM 86 N PRO A 563 -6.811 -2.593 4.165 1.00 0.00 N ATOM 87 CA PRO A 563 -6.024 -3.776 3.799 1.00 0.00 C ATOM 88 C PRO A 563 -5.404 -4.454 5.015 1.00 0.00 C ATOM 89 O PRO A 563 -4.939 -3.786 5.939 1.00 0.00 O ATOM 90 CB PRO A 563 -4.933 -3.199 2.898 1.00 0.00 C ATOM 91 CG PRO A 563 -5.561 -2.006 2.267 1.00 0.00 C ATOM 92 CD PRO A 563 -6.512 -1.441 3.291 1.00 0.00 C ATOM 0 HA PRO A 563 -6.632 -4.545 3.323 1.00 0.00 H new ATOM 0 HB2 PRO A 563 -4.048 -2.924 3.472 1.00 0.00 H new ATOM 0 HB3 PRO A 563 -4.614 -3.923 2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 563 -4.806 -1.270 1.989 1.00 0.00 H new ATOM 0 HG3 PRO A 563 -6.090 -2.281 1.354 1.00 0.00 H new ATOM 0 HD2 PRO A 563 -6.059 -0.622 3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 563 -7.415 -1.047 2.824 1.00 0.00 H new ATOM 100 N THR A 564 -5.409 -5.782 5.016 1.00 0.00 N ATOM 101 CA THR A 564 -4.853 -6.542 6.128 1.00 0.00 C ATOM 102 C THR A 564 -3.759 -7.498 5.667 1.00 0.00 C ATOM 103 O THR A 564 -3.749 -7.941 4.518 1.00 0.00 O ATOM 104 CB THR A 564 -5.945 -7.348 6.855 1.00 0.00 C ATOM 105 OG1 THR A 564 -5.347 -8.293 7.749 1.00 0.00 O ATOM 106 CG2 THR A 564 -6.826 -8.076 5.855 1.00 0.00 C ATOM 0 H THR A 564 -5.791 -6.353 4.262 1.00 0.00 H new ATOM 0 HA THR A 564 -4.421 -5.814 6.815 1.00 0.00 H new ATOM 0 HB THR A 564 -6.561 -6.654 7.426 1.00 0.00 H new ATOM 0 HG1 THR A 564 -6.050 -8.799 8.208 1.00 0.00 H new ATOM 0 HG21 THR A 564 -7.592 -8.640 6.388 1.00 0.00 H new ATOM 0 HG22 THR A 564 -7.303 -7.351 5.195 1.00 0.00 H new ATOM 0 HG23 THR A 564 -6.217 -8.760 5.264 1.00 0.00 H new ATOM 114 N ASN A 565 -2.846 -7.815 6.581 1.00 0.00 N ATOM 115 CA ASN A 565 -1.743 -8.727 6.294 1.00 0.00 C ATOM 116 C ASN A 565 -0.863 -8.212 5.158 1.00 0.00 C ATOM 117 O ASN A 565 -0.740 -8.857 4.116 1.00 0.00 O ATOM 118 CB ASN A 565 -2.283 -10.117 5.951 1.00 0.00 C ATOM 119 CG ASN A 565 -1.547 -11.223 6.684 1.00 0.00 C ATOM 120 OD1 ASN A 565 -0.320 -11.309 6.632 1.00 0.00 O ATOM 121 ND2 ASN A 565 -2.297 -12.076 7.374 1.00 0.00 N ATOM 0 H ASN A 565 -2.849 -7.450 7.534 1.00 0.00 H new ATOM 0 HA ASN A 565 -1.125 -8.789 7.190 1.00 0.00 H new ATOM 0 HB2 ASN A 565 -3.343 -10.163 6.200 1.00 0.00 H new ATOM 0 HB3 ASN A 565 -2.201 -10.280 4.876 1.00 0.00 H new ATOM 0 HD21 ASN A 565 -1.859 -12.840 7.888 1.00 0.00 H new ATOM 0 HD22 ASN A 565 -3.311 -11.967 7.389 1.00 0.00 H new ATOM 128 N LEU A 566 -0.236 -7.057 5.369 1.00 0.00 N ATOM 129 CA LEU A 566 0.649 -6.479 4.362 1.00 0.00 C ATOM 130 C LEU A 566 2.027 -7.119 4.453 1.00 0.00 C ATOM 131 O LEU A 566 2.389 -7.684 5.485 1.00 0.00 O ATOM 132 CB LEU A 566 0.763 -4.961 4.540 1.00 0.00 C ATOM 133 CG LEU A 566 1.787 -4.277 3.627 1.00 0.00 C ATOM 134 CD1 LEU A 566 1.375 -4.398 2.168 1.00 0.00 C ATOM 135 CD2 LEU A 566 1.954 -2.818 4.009 1.00 0.00 C ATOM 0 H LEU A 566 -0.324 -6.506 6.223 1.00 0.00 H new ATOM 0 HA LEU A 566 0.224 -6.677 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -0.215 -4.515 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 566 1.025 -4.751 5.577 1.00 0.00 H new ATOM 0 HG LEU A 566 2.745 -4.781 3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.116 -3.906 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.309 -5.451 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 566 0.404 -3.924 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 566 2.685 -2.351 3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 566 0.997 -2.305 3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 566 2.300 -2.749 5.040 1.00 0.00 H new ATOM 147 N ALA A 567 2.793 -7.033 3.374 1.00 0.00 N ATOM 148 CA ALA A 567 4.128 -7.614 3.352 1.00 0.00 C ATOM 149 C ALA A 567 4.983 -7.025 2.236 1.00 0.00 C ATOM 150 O ALA A 567 4.509 -6.226 1.429 1.00 0.00 O ATOM 151 CB ALA A 567 4.043 -9.126 3.209 1.00 0.00 C ATOM 0 H ALA A 567 2.516 -6.570 2.508 1.00 0.00 H new ATOM 0 HA ALA A 567 4.609 -7.370 4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 567 5.048 -9.547 3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.489 -9.540 4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 567 3.531 -9.375 2.279 1.00 0.00 H new ATOM 157 N SER A 568 6.244 -7.441 2.196 1.00 0.00 N ATOM 158 CA SER A 568 7.179 -6.976 1.180 1.00 0.00 C ATOM 159 C SER A 568 7.888 -8.162 0.533 1.00 0.00 C ATOM 160 O SER A 568 8.520 -8.965 1.219 1.00 0.00 O ATOM 161 CB SER A 568 8.205 -6.023 1.795 1.00 0.00 C ATOM 162 OG SER A 568 8.790 -6.585 2.957 1.00 0.00 O ATOM 0 H SER A 568 6.643 -8.104 2.861 1.00 0.00 H new ATOM 0 HA SER A 568 6.619 -6.439 0.414 1.00 0.00 H new ATOM 0 HB2 SER A 568 8.982 -5.800 1.064 1.00 0.00 H new ATOM 0 HB3 SER A 568 7.723 -5.078 2.047 1.00 0.00 H new ATOM 0 HG SER A 568 8.827 -7.560 2.866 1.00 0.00 H new ATOM 168 N THR A 569 7.768 -8.275 -0.785 1.00 0.00 N ATOM 169 CA THR A 569 8.389 -9.374 -1.514 1.00 0.00 C ATOM 170 C THR A 569 9.697 -8.945 -2.175 1.00 0.00 C ATOM 171 O THR A 569 10.773 -9.108 -1.601 1.00 0.00 O ATOM 172 CB THR A 569 7.439 -9.938 -2.588 1.00 0.00 C ATOM 173 OG1 THR A 569 6.762 -8.867 -3.255 1.00 0.00 O ATOM 174 CG2 THR A 569 6.418 -10.880 -1.968 1.00 0.00 C ATOM 0 H THR A 569 7.248 -7.621 -1.369 1.00 0.00 H new ATOM 0 HA THR A 569 8.605 -10.152 -0.782 1.00 0.00 H new ATOM 0 HB THR A 569 8.035 -10.497 -3.310 1.00 0.00 H new ATOM 0 HG1 THR A 569 6.161 -9.234 -3.937 1.00 0.00 H new ATOM 0 HG21 THR A 569 5.759 -11.265 -2.746 1.00 0.00 H new ATOM 0 HG22 THR A 569 6.934 -11.710 -1.486 1.00 0.00 H new ATOM 0 HG23 THR A 569 5.828 -10.341 -1.227 1.00 0.00 H new ATOM 182 N ALA A 570 9.598 -8.405 -3.387 1.00 0.00 N ATOM 183 CA ALA A 570 10.777 -7.964 -4.125 1.00 0.00 C ATOM 184 C ALA A 570 11.150 -6.530 -3.765 1.00 0.00 C ATOM 185 O ALA A 570 10.596 -5.578 -4.313 1.00 0.00 O ATOM 186 CB ALA A 570 10.537 -8.089 -5.622 1.00 0.00 C ATOM 0 H ALA A 570 8.715 -8.263 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 570 11.611 -8.607 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 570 11.424 -7.757 -6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 570 10.329 -9.129 -5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 570 9.686 -7.470 -5.907 1.00 0.00 H new ATOM 192 N GLN A 571 12.098 -6.385 -2.843 1.00 0.00 N ATOM 193 CA GLN A 571 12.550 -5.067 -2.412 1.00 0.00 C ATOM 194 C GLN A 571 14.014 -4.849 -2.779 1.00 0.00 C ATOM 195 O GLN A 571 14.914 -5.365 -2.116 1.00 0.00 O ATOM 196 CB GLN A 571 12.361 -4.903 -0.902 1.00 0.00 C ATOM 197 CG GLN A 571 11.183 -5.687 -0.346 1.00 0.00 C ATOM 198 CD GLN A 571 11.556 -6.510 0.872 1.00 0.00 C ATOM 199 OE1 GLN A 571 11.160 -7.670 0.996 1.00 0.00 O ATOM 200 NE2 GLN A 571 12.321 -5.913 1.779 1.00 0.00 N ATOM 0 H GLN A 571 12.567 -7.164 -2.381 1.00 0.00 H new ATOM 0 HA GLN A 571 11.947 -4.319 -2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 571 13.271 -5.222 -0.394 1.00 0.00 H new ATOM 0 HB3 GLN A 571 12.223 -3.846 -0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 571 10.383 -4.996 -0.082 1.00 0.00 H new ATOM 0 HG3 GLN A 571 10.792 -6.347 -1.120 1.00 0.00 H new ATOM 0 HE21 GLN A 571 12.626 -4.950 1.635 1.00 0.00 H new ATOM 0 HE22 GLN A 571 12.604 -6.417 2.619 1.00 0.00 H new ATOM 209 N THR A 572 14.243 -4.084 -3.841 1.00 0.00 N ATOM 210 CA THR A 572 15.598 -3.798 -4.302 1.00 0.00 C ATOM 211 C THR A 572 16.109 -2.479 -3.728 1.00 0.00 C ATOM 212 O THR A 572 15.652 -2.034 -2.674 1.00 0.00 O ATOM 213 CB THR A 572 15.665 -3.743 -5.840 1.00 0.00 C ATOM 214 OG1 THR A 572 14.819 -2.696 -6.332 1.00 0.00 O ATOM 215 CG2 THR A 572 15.239 -5.071 -6.446 1.00 0.00 C ATOM 0 H THR A 572 13.508 -3.650 -4.399 1.00 0.00 H new ATOM 0 HA THR A 572 16.233 -4.610 -3.948 1.00 0.00 H new ATOM 0 HB THR A 572 16.696 -3.542 -6.130 1.00 0.00 H new ATOM 0 HG1 THR A 572 13.884 -2.986 -6.294 1.00 0.00 H new ATOM 0 HG21 THR A 572 15.294 -5.009 -7.533 1.00 0.00 H new ATOM 0 HG22 THR A 572 15.902 -5.861 -6.093 1.00 0.00 H new ATOM 0 HG23 THR A 572 14.215 -5.296 -6.147 1.00 0.00 H new ATOM 223 N THR A 573 17.060 -1.862 -4.421 1.00 0.00 N ATOM 224 CA THR A 573 17.635 -0.599 -3.975 1.00 0.00 C ATOM 225 C THR A 573 16.867 0.593 -4.536 1.00 0.00 C ATOM 226 O THR A 573 17.248 1.743 -4.320 1.00 0.00 O ATOM 227 CB THR A 573 19.112 -0.474 -4.391 1.00 0.00 C ATOM 228 OG1 THR A 573 19.285 -0.957 -5.729 1.00 0.00 O ATOM 229 CG2 THR A 573 20.011 -1.255 -3.444 1.00 0.00 C ATOM 0 H THR A 573 17.449 -2.217 -5.295 1.00 0.00 H new ATOM 0 HA THR A 573 17.564 -0.595 -2.887 1.00 0.00 H new ATOM 0 HB THR A 573 19.392 0.578 -4.345 1.00 0.00 H new ATOM 0 HG1 THR A 573 20.226 -0.873 -5.988 1.00 0.00 H new ATOM 0 HG21 THR A 573 21.049 -1.151 -3.759 1.00 0.00 H new ATOM 0 HG22 THR A 573 19.898 -0.866 -2.432 1.00 0.00 H new ATOM 0 HG23 THR A 573 19.730 -2.308 -3.462 1.00 0.00 H new ATOM 237 N SER A 574 15.786 0.318 -5.262 1.00 0.00 N ATOM 238 CA SER A 574 14.981 1.382 -5.851 1.00 0.00 C ATOM 239 C SER A 574 13.527 0.954 -6.032 1.00 0.00 C ATOM 240 O SER A 574 12.608 1.678 -5.648 1.00 0.00 O ATOM 241 CB SER A 574 15.568 1.805 -7.199 1.00 0.00 C ATOM 242 OG SER A 574 16.010 0.680 -7.939 1.00 0.00 O ATOM 0 H SER A 574 15.450 -0.626 -5.455 1.00 0.00 H new ATOM 0 HA SER A 574 15.000 2.228 -5.164 1.00 0.00 H new ATOM 0 HB2 SER A 574 14.817 2.348 -7.772 1.00 0.00 H new ATOM 0 HB3 SER A 574 16.402 2.488 -7.038 1.00 0.00 H new ATOM 0 HG SER A 574 16.379 0.977 -8.797 1.00 0.00 H new ATOM 248 N SER A 575 13.323 -0.216 -6.625 1.00 0.00 N ATOM 249 CA SER A 575 11.975 -0.722 -6.860 1.00 0.00 C ATOM 250 C SER A 575 11.576 -1.751 -5.809 1.00 0.00 C ATOM 251 O SER A 575 12.245 -2.770 -5.639 1.00 0.00 O ATOM 252 CB SER A 575 11.874 -1.338 -8.257 1.00 0.00 C ATOM 253 OG SER A 575 13.117 -1.279 -8.934 1.00 0.00 O ATOM 0 H SER A 575 14.069 -0.830 -6.951 1.00 0.00 H new ATOM 0 HA SER A 575 11.288 0.121 -6.788 1.00 0.00 H new ATOM 0 HB2 SER A 575 11.549 -2.375 -8.177 1.00 0.00 H new ATOM 0 HB3 SER A 575 11.116 -0.810 -8.836 1.00 0.00 H new ATOM 0 HG SER A 575 13.025 -1.681 -9.823 1.00 0.00 H new ATOM 259 N ILE A 576 10.479 -1.478 -5.111 1.00 0.00 N ATOM 260 CA ILE A 576 9.981 -2.381 -4.081 1.00 0.00 C ATOM 261 C ILE A 576 8.616 -2.946 -4.467 1.00 0.00 C ATOM 262 O ILE A 576 7.840 -2.295 -5.167 1.00 0.00 O ATOM 263 CB ILE A 576 9.866 -1.673 -2.714 1.00 0.00 C ATOM 264 CG1 ILE A 576 9.513 -2.684 -1.617 1.00 0.00 C ATOM 265 CG2 ILE A 576 8.828 -0.561 -2.776 1.00 0.00 C ATOM 266 CD1 ILE A 576 9.439 -2.081 -0.230 1.00 0.00 C ATOM 0 H ILE A 576 9.917 -0.637 -5.241 1.00 0.00 H new ATOM 0 HA ILE A 576 10.701 -3.195 -3.996 1.00 0.00 H new ATOM 0 HB ILE A 576 10.830 -1.227 -2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 576 8.554 -3.144 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 576 10.257 -3.481 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 576 8.760 -0.072 -1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 576 9.122 0.170 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 576 7.858 -0.983 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 576 9.185 -2.858 0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 576 10.404 -1.646 0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 576 8.675 -1.304 -0.211 1.00 0.00 H new ATOM 278 N THR A 577 8.331 -4.158 -4.004 1.00 0.00 N ATOM 279 CA THR A 577 7.062 -4.810 -4.296 1.00 0.00 C ATOM 280 C THR A 577 6.306 -5.122 -3.009 1.00 0.00 C ATOM 281 O THR A 577 6.793 -5.860 -2.154 1.00 0.00 O ATOM 282 CB THR A 577 7.269 -6.113 -5.091 1.00 0.00 C ATOM 283 OG1 THR A 577 8.139 -5.872 -6.204 1.00 0.00 O ATOM 284 CG2 THR A 577 5.940 -6.662 -5.590 1.00 0.00 C ATOM 0 H THR A 577 8.964 -4.709 -3.424 1.00 0.00 H new ATOM 0 HA THR A 577 6.477 -4.118 -4.902 1.00 0.00 H new ATOM 0 HB THR A 577 7.721 -6.850 -4.427 1.00 0.00 H new ATOM 0 HG1 THR A 577 8.046 -6.598 -6.855 1.00 0.00 H new ATOM 0 HG21 THR A 577 6.113 -7.582 -6.148 1.00 0.00 H new ATOM 0 HG22 THR A 577 5.290 -6.870 -4.740 1.00 0.00 H new ATOM 0 HG23 THR A 577 5.464 -5.928 -6.240 1.00 0.00 H new ATOM 292 N LEU A 578 5.115 -4.547 -2.877 1.00 0.00 N ATOM 293 CA LEU A 578 4.291 -4.754 -1.692 1.00 0.00 C ATOM 294 C LEU A 578 3.119 -5.683 -1.998 1.00 0.00 C ATOM 295 O LEU A 578 2.466 -5.550 -3.033 1.00 0.00 O ATOM 296 CB LEU A 578 3.772 -3.409 -1.175 1.00 0.00 C ATOM 297 CG LEU A 578 4.128 -3.067 0.279 1.00 0.00 C ATOM 298 CD1 LEU A 578 5.556 -3.479 0.611 1.00 0.00 C ATOM 299 CD2 LEU A 578 3.937 -1.580 0.528 1.00 0.00 C ATOM 0 H LEU A 578 4.699 -3.933 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 578 4.907 -5.222 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 578 4.160 -2.620 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 578 2.687 -3.397 -1.275 1.00 0.00 H new ATOM 0 HG LEU A 578 3.458 -3.627 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 578 5.777 -3.223 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 578 5.666 -4.554 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 578 6.248 -2.955 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 578 4.192 -1.349 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 578 4.584 -1.013 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 578 2.897 -1.311 0.342 1.00 0.00 H new ATOM 311 N SER A 579 2.858 -6.620 -1.093 1.00 0.00 N ATOM 312 CA SER A 579 1.765 -7.570 -1.266 1.00 0.00 C ATOM 313 C SER A 579 0.877 -7.607 -0.026 1.00 0.00 C ATOM 314 O SER A 579 1.350 -7.872 1.080 1.00 0.00 O ATOM 315 CB SER A 579 2.316 -8.966 -1.555 1.00 0.00 C ATOM 316 OG SER A 579 3.705 -9.034 -1.278 1.00 0.00 O ATOM 0 H SER A 579 3.389 -6.742 -0.231 1.00 0.00 H new ATOM 0 HA SER A 579 1.162 -7.243 -2.113 1.00 0.00 H new ATOM 0 HB2 SER A 579 1.785 -9.702 -0.951 1.00 0.00 H new ATOM 0 HB3 SER A 579 2.137 -9.222 -2.599 1.00 0.00 H new ATOM 0 HG SER A 579 4.202 -9.117 -2.118 1.00 0.00 H new ATOM 322 N TRP A 580 -0.410 -7.336 -0.217 1.00 0.00 N ATOM 323 CA TRP A 580 -1.365 -7.333 0.886 1.00 0.00 C ATOM 324 C TRP A 580 -2.677 -7.995 0.476 1.00 0.00 C ATOM 325 O TRP A 580 -2.902 -8.273 -0.703 1.00 0.00 O ATOM 326 CB TRP A 580 -1.629 -5.900 1.347 1.00 0.00 C ATOM 327 CG TRP A 580 -2.228 -5.040 0.276 1.00 0.00 C ATOM 328 CD1 TRP A 580 -3.552 -4.750 0.105 1.00 0.00 C ATOM 329 CD2 TRP A 580 -1.529 -4.368 -0.778 1.00 0.00 C ATOM 330 NE1 TRP A 580 -3.718 -3.936 -0.989 1.00 0.00 N ATOM 331 CE2 TRP A 580 -2.491 -3.687 -1.548 1.00 0.00 C ATOM 332 CE3 TRP A 580 -0.183 -4.273 -1.144 1.00 0.00 C ATOM 333 CZ2 TRP A 580 -2.150 -2.923 -2.661 1.00 0.00 C ATOM 334 CZ3 TRP A 580 0.155 -3.515 -2.249 1.00 0.00 C ATOM 335 CH2 TRP A 580 -0.825 -2.849 -2.997 1.00 0.00 C ATOM 0 H TRP A 580 -0.816 -7.115 -1.126 1.00 0.00 H new ATOM 0 HA TRP A 580 -0.935 -7.904 1.709 1.00 0.00 H new ATOM 0 HB2 TRP A 580 -2.299 -5.919 2.207 1.00 0.00 H new ATOM 0 HB3 TRP A 580 -0.693 -5.454 1.682 1.00 0.00 H new ATOM 0 HD1 TRP A 580 -4.351 -5.108 0.737 1.00 0.00 H new ATOM 0 HE1 TRP A 580 -4.609 -3.575 -1.330 1.00 0.00 H new ATOM 0 HE3 TRP A 580 0.579 -4.783 -0.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 580 -2.903 -2.408 -3.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 580 1.192 -3.435 -2.541 1.00 0.00 H new ATOM 0 HH2 TRP A 580 -0.529 -2.265 -3.856 1.00 0.00 H new ATOM 346 N THR A 581 -3.541 -8.242 1.456 1.00 0.00 N ATOM 347 CA THR A 581 -4.833 -8.870 1.197 1.00 0.00 C ATOM 348 C THR A 581 -5.879 -7.835 0.793 1.00 0.00 C ATOM 349 O THR A 581 -5.846 -6.694 1.251 1.00 0.00 O ATOM 350 CB THR A 581 -5.339 -9.647 2.427 1.00 0.00 C ATOM 351 OG1 THR A 581 -4.248 -10.323 3.064 1.00 0.00 O ATOM 352 CG2 THR A 581 -6.403 -10.658 2.026 1.00 0.00 C ATOM 0 H THR A 581 -3.370 -8.017 2.436 1.00 0.00 H new ATOM 0 HA THR A 581 -4.684 -9.569 0.374 1.00 0.00 H new ATOM 0 HB THR A 581 -5.780 -8.934 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 581 -3.821 -9.720 3.708 1.00 0.00 H new ATOM 0 HG21 THR A 581 -6.746 -11.195 2.910 1.00 0.00 H new ATOM 0 HG22 THR A 581 -7.245 -10.138 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 581 -5.982 -11.366 1.312 1.00 0.00 H new ATOM 360 N ALA A 582 -6.804 -8.246 -0.069 1.00 0.00 N ATOM 361 CA ALA A 582 -7.863 -7.360 -0.543 1.00 0.00 C ATOM 362 C ALA A 582 -8.799 -6.957 0.592 1.00 0.00 C ATOM 363 O ALA A 582 -8.753 -7.528 1.681 1.00 0.00 O ATOM 364 CB ALA A 582 -8.645 -8.031 -1.662 1.00 0.00 C ATOM 0 H ALA A 582 -6.842 -9.190 -0.455 1.00 0.00 H new ATOM 0 HA ALA A 582 -7.397 -6.453 -0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 582 -9.432 -7.361 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 582 -7.973 -8.259 -2.489 1.00 0.00 H new ATOM 0 HB3 ALA A 582 -9.091 -8.954 -1.292 1.00 0.00 H new ATOM 370 N SER A 583 -9.647 -5.967 0.326 1.00 0.00 N ATOM 371 CA SER A 583 -10.596 -5.482 1.323 1.00 0.00 C ATOM 372 C SER A 583 -11.791 -6.425 1.441 1.00 0.00 C ATOM 373 O SER A 583 -12.684 -6.210 2.261 1.00 0.00 O ATOM 374 CB SER A 583 -11.070 -4.072 0.960 1.00 0.00 C ATOM 375 OG SER A 583 -12.481 -4.014 0.845 1.00 0.00 O ATOM 0 H SER A 583 -9.696 -5.485 -0.572 1.00 0.00 H new ATOM 0 HA SER A 583 -10.090 -5.449 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 583 -10.736 -3.367 1.722 1.00 0.00 H new ATOM 0 HB3 SER A 583 -10.614 -3.764 0.019 1.00 0.00 H new ATOM 0 HG SER A 583 -12.753 -3.101 0.614 1.00 0.00 H new ATOM 381 N THR A 584 -11.795 -7.469 0.616 1.00 0.00 N ATOM 382 CA THR A 584 -12.876 -8.453 0.621 1.00 0.00 C ATOM 383 C THR A 584 -14.216 -7.801 0.294 1.00 0.00 C ATOM 384 O THR A 584 -15.275 -8.340 0.621 1.00 0.00 O ATOM 385 CB THR A 584 -12.981 -9.172 1.980 1.00 0.00 C ATOM 386 OG1 THR A 584 -11.700 -9.206 2.618 1.00 0.00 O ATOM 387 CG2 THR A 584 -13.502 -10.590 1.804 1.00 0.00 C ATOM 0 H THR A 584 -11.060 -7.656 -0.066 1.00 0.00 H new ATOM 0 HA THR A 584 -12.636 -9.187 -0.148 1.00 0.00 H new ATOM 0 HB THR A 584 -13.683 -8.618 2.604 1.00 0.00 H new ATOM 0 HG1 THR A 584 -11.777 -9.663 3.481 1.00 0.00 H new ATOM 0 HG21 THR A 584 -13.567 -11.077 2.777 1.00 0.00 H new ATOM 0 HG22 THR A 584 -14.491 -10.560 1.346 1.00 0.00 H new ATOM 0 HG23 THR A 584 -12.822 -11.151 1.163 1.00 0.00 H new ATOM 395 N ASP A 585 -14.164 -6.641 -0.352 1.00 0.00 N ATOM 396 CA ASP A 585 -15.375 -5.917 -0.723 1.00 0.00 C ATOM 397 C ASP A 585 -15.136 -5.044 -1.951 1.00 0.00 C ATOM 398 O ASP A 585 -15.012 -3.825 -1.843 1.00 0.00 O ATOM 399 CB ASP A 585 -15.854 -5.054 0.445 1.00 0.00 C ATOM 400 CG ASP A 585 -16.607 -5.857 1.488 1.00 0.00 C ATOM 401 OD1 ASP A 585 -17.512 -6.627 1.105 1.00 0.00 O ATOM 402 OD2 ASP A 585 -16.290 -5.717 2.687 1.00 0.00 O ATOM 0 H ASP A 585 -13.297 -6.182 -0.630 1.00 0.00 H new ATOM 0 HA ASP A 585 -16.145 -6.649 -0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -14.996 -4.571 0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -16.499 -4.261 0.066 1.00 0.00 H new ATOM 407 N ASN A 586 -15.078 -5.675 -3.121 1.00 0.00 N ATOM 408 CA ASN A 586 -14.858 -4.954 -4.368 1.00 0.00 C ATOM 409 C ASN A 586 -16.181 -4.476 -4.959 1.00 0.00 C ATOM 410 O ASN A 586 -16.348 -4.422 -6.178 1.00 0.00 O ATOM 411 CB ASN A 586 -14.122 -5.842 -5.371 1.00 0.00 C ATOM 412 CG ASN A 586 -13.626 -5.070 -6.579 1.00 0.00 C ATOM 413 OD1 ASN A 586 -13.285 -3.891 -6.481 1.00 0.00 O ATOM 414 ND2 ASN A 586 -13.583 -5.734 -7.728 1.00 0.00 N ATOM 0 H ASN A 586 -15.180 -6.684 -3.230 1.00 0.00 H new ATOM 0 HA ASN A 586 -14.243 -4.080 -4.153 1.00 0.00 H new ATOM 0 HB2 ASN A 586 -13.276 -6.318 -4.876 1.00 0.00 H new ATOM 0 HB3 ASN A 586 -14.788 -6.639 -5.702 1.00 0.00 H new ATOM 0 HD21 ASN A 586 -13.258 -5.267 -8.575 1.00 0.00 H new ATOM 0 HD22 ASN A 586 -13.875 -6.711 -7.764 1.00 0.00 H new ATOM 421 N VAL A 587 -17.120 -4.130 -4.085 1.00 0.00 N ATOM 422 CA VAL A 587 -18.430 -3.656 -4.517 1.00 0.00 C ATOM 423 C VAL A 587 -18.405 -2.156 -4.791 1.00 0.00 C ATOM 424 O VAL A 587 -19.413 -1.571 -5.188 1.00 0.00 O ATOM 425 CB VAL A 587 -19.518 -3.960 -3.466 1.00 0.00 C ATOM 426 CG1 VAL A 587 -20.866 -4.175 -4.137 1.00 0.00 C ATOM 427 CG2 VAL A 587 -19.135 -5.171 -2.628 1.00 0.00 C ATOM 0 H VAL A 587 -16.998 -4.169 -3.073 1.00 0.00 H new ATOM 0 HA VAL A 587 -18.672 -4.188 -5.437 1.00 0.00 H new ATOM 0 HB VAL A 587 -19.600 -3.100 -2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 587 -21.620 -4.388 -3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 587 -21.147 -3.276 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 587 -20.799 -5.015 -4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 587 -19.916 -5.367 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 587 -19.020 -6.040 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 587 -18.194 -4.975 -2.113 1.00 0.00 H new ATOM 437 N GLY A 588 -17.246 -1.540 -4.575 1.00 0.00 N ATOM 438 CA GLY A 588 -17.111 -0.113 -4.802 1.00 0.00 C ATOM 439 C GLY A 588 -15.666 0.316 -4.976 1.00 0.00 C ATOM 440 O GLY A 588 -15.387 1.329 -5.619 1.00 0.00 O ATOM 0 H GLY A 588 -16.399 -2.004 -4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 588 -17.678 0.165 -5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 588 -17.548 0.428 -3.963 1.00 0.00 H new ATOM 444 N VAL A 589 -14.746 -0.454 -4.402 1.00 0.00 N ATOM 445 CA VAL A 589 -13.323 -0.146 -4.496 1.00 0.00 C ATOM 446 C VAL A 589 -12.861 -0.103 -5.950 1.00 0.00 C ATOM 447 O VAL A 589 -13.365 -0.841 -6.795 1.00 0.00 O ATOM 448 CB VAL A 589 -12.469 -1.176 -3.731 1.00 0.00 C ATOM 449 CG1 VAL A 589 -11.031 -0.697 -3.610 1.00 0.00 C ATOM 450 CG2 VAL A 589 -13.062 -1.450 -2.357 1.00 0.00 C ATOM 0 H VAL A 589 -14.961 -1.296 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 589 -13.186 0.836 -4.044 1.00 0.00 H new ATOM 0 HB VAL A 589 -12.471 -2.108 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -10.445 -1.438 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -10.609 -0.559 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -11.007 0.250 -3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -12.444 -2.180 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -13.095 -0.524 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -14.072 -1.843 -2.469 1.00 0.00 H new ATOM 460 N THR A 590 -11.895 0.768 -6.230 1.00 0.00 N ATOM 461 CA THR A 590 -11.360 0.911 -7.578 1.00 0.00 C ATOM 462 C THR A 590 -9.865 0.609 -7.607 1.00 0.00 C ATOM 463 O THR A 590 -9.367 -0.022 -8.540 1.00 0.00 O ATOM 464 CB THR A 590 -11.596 2.329 -8.129 1.00 0.00 C ATOM 465 OG1 THR A 590 -11.439 3.293 -7.081 1.00 0.00 O ATOM 466 CG2 THR A 590 -12.986 2.452 -8.733 1.00 0.00 C ATOM 0 H THR A 590 -11.467 1.385 -5.540 1.00 0.00 H new ATOM 0 HA THR A 590 -11.887 0.194 -8.207 1.00 0.00 H new ATOM 0 HB THR A 590 -10.860 2.518 -8.911 1.00 0.00 H new ATOM 0 HG1 THR A 590 -11.589 4.193 -7.439 1.00 0.00 H new ATOM 0 HG21 THR A 590 -13.128 3.463 -9.115 1.00 0.00 H new ATOM 0 HG22 THR A 590 -13.093 1.737 -9.549 1.00 0.00 H new ATOM 0 HG23 THR A 590 -13.735 2.244 -7.968 1.00 0.00 H new ATOM 474 N GLY A 591 -9.156 1.067 -6.580 1.00 0.00 N ATOM 475 CA GLY A 591 -7.725 0.840 -6.502 1.00 0.00 C ATOM 476 C GLY A 591 -7.194 0.981 -5.089 1.00 0.00 C ATOM 477 O GLY A 591 -7.943 1.306 -4.167 1.00 0.00 O ATOM 0 H GLY A 591 -9.548 1.592 -5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 591 -7.497 -0.159 -6.875 1.00 0.00 H new ATOM 0 HA3 GLY A 591 -7.212 1.548 -7.153 1.00 0.00 H new ATOM 481 N TYR A 592 -5.899 0.734 -4.918 1.00 0.00 N ATOM 482 CA TYR A 592 -5.266 0.835 -3.608 1.00 0.00 C ATOM 483 C TYR A 592 -4.101 1.818 -3.638 1.00 0.00 C ATOM 484 O TYR A 592 -3.138 1.632 -4.382 1.00 0.00 O ATOM 485 CB TYR A 592 -4.772 -0.538 -3.149 1.00 0.00 C ATOM 486 CG TYR A 592 -5.885 -1.515 -2.849 1.00 0.00 C ATOM 487 CD1 TYR A 592 -6.412 -2.324 -3.848 1.00 0.00 C ATOM 488 CD2 TYR A 592 -6.408 -1.631 -1.568 1.00 0.00 C ATOM 489 CE1 TYR A 592 -7.429 -3.221 -3.580 1.00 0.00 C ATOM 490 CE2 TYR A 592 -7.425 -2.525 -1.290 1.00 0.00 C ATOM 491 CZ TYR A 592 -7.931 -3.317 -2.299 1.00 0.00 C ATOM 492 OH TYR A 592 -8.944 -4.207 -2.026 1.00 0.00 O ATOM 0 H TYR A 592 -5.267 0.462 -5.671 1.00 0.00 H new ATOM 0 HA TYR A 592 -6.011 1.203 -2.903 1.00 0.00 H new ATOM 0 HB2 TYR A 592 -4.129 -0.960 -3.921 1.00 0.00 H new ATOM 0 HB3 TYR A 592 -4.159 -0.414 -2.256 1.00 0.00 H new ATOM 0 HD1 TYR A 592 -6.020 -2.251 -4.852 1.00 0.00 H new ATOM 0 HD2 TYR A 592 -6.014 -1.012 -0.775 1.00 0.00 H new ATOM 0 HE1 TYR A 592 -7.828 -3.842 -4.368 1.00 0.00 H new ATOM 0 HE2 TYR A 592 -7.821 -2.603 -0.288 1.00 0.00 H new ATOM 0 HH TYR A 592 -8.875 -4.976 -2.629 1.00 0.00 H new ATOM 502 N ASP A 593 -4.192 2.859 -2.819 1.00 0.00 N ATOM 503 CA ASP A 593 -3.144 3.870 -2.744 1.00 0.00 C ATOM 504 C ASP A 593 -2.247 3.622 -1.538 1.00 0.00 C ATOM 505 O ASP A 593 -2.716 3.603 -0.399 1.00 0.00 O ATOM 506 CB ASP A 593 -3.759 5.267 -2.652 1.00 0.00 C ATOM 507 CG ASP A 593 -4.173 5.810 -4.005 1.00 0.00 C ATOM 508 OD1 ASP A 593 -4.547 5.002 -4.879 1.00 0.00 O ATOM 509 OD2 ASP A 593 -4.120 7.044 -4.190 1.00 0.00 O ATOM 0 H ASP A 593 -4.982 3.025 -2.196 1.00 0.00 H new ATOM 0 HA ASP A 593 -2.542 3.805 -3.650 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -4.629 5.235 -1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -3.040 5.947 -2.196 1.00 0.00 H new ATOM 514 N VAL A 594 -0.956 3.429 -1.789 1.00 0.00 N ATOM 515 CA VAL A 594 -0.005 3.183 -0.711 1.00 0.00 C ATOM 516 C VAL A 594 0.773 4.451 -0.373 1.00 0.00 C ATOM 517 O VAL A 594 1.151 5.215 -1.260 1.00 0.00 O ATOM 518 CB VAL A 594 0.972 2.036 -1.063 1.00 0.00 C ATOM 519 CG1 VAL A 594 1.112 1.895 -2.567 1.00 0.00 C ATOM 520 CG2 VAL A 594 2.334 2.244 -0.412 1.00 0.00 C ATOM 0 H VAL A 594 -0.546 3.438 -2.723 1.00 0.00 H new ATOM 0 HA VAL A 594 -0.580 2.879 0.164 1.00 0.00 H new ATOM 0 HB VAL A 594 0.554 1.111 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 594 1.803 1.083 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 594 0.138 1.675 -3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 594 1.496 2.825 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 594 2.995 1.420 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 594 2.764 3.183 -0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 594 2.218 2.278 0.671 1.00 0.00 H new ATOM 530 N TYR A 595 1.002 4.668 0.918 1.00 0.00 N ATOM 531 CA TYR A 595 1.727 5.842 1.385 1.00 0.00 C ATOM 532 C TYR A 595 3.184 5.503 1.680 1.00 0.00 C ATOM 533 O TYR A 595 3.573 4.334 1.685 1.00 0.00 O ATOM 534 CB TYR A 595 1.068 6.400 2.648 1.00 0.00 C ATOM 535 CG TYR A 595 -0.319 6.962 2.420 1.00 0.00 C ATOM 536 CD1 TYR A 595 -1.429 6.125 2.382 1.00 0.00 C ATOM 537 CD2 TYR A 595 -0.519 8.325 2.241 1.00 0.00 C ATOM 538 CE1 TYR A 595 -2.698 6.632 2.172 1.00 0.00 C ATOM 539 CE2 TYR A 595 -1.785 8.840 2.030 1.00 0.00 C ATOM 540 CZ TYR A 595 -2.868 7.998 2.005 1.00 0.00 C ATOM 541 OH TYR A 595 -4.132 8.499 1.787 1.00 0.00 O ATOM 0 H TYR A 595 0.694 4.042 1.662 1.00 0.00 H new ATOM 0 HA TYR A 595 1.696 6.592 0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 595 1.010 5.609 3.396 1.00 0.00 H new ATOM 0 HB3 TYR A 595 1.703 7.183 3.061 1.00 0.00 H new ATOM 0 HD1 TYR A 595 -1.298 5.062 2.519 1.00 0.00 H new ATOM 0 HD2 TYR A 595 0.329 8.994 2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 595 -3.550 5.969 2.138 1.00 0.00 H new ATOM 0 HE2 TYR A 595 -1.921 9.902 1.885 1.00 0.00 H new ATOM 0 HH TYR A 595 -4.086 9.473 1.691 1.00 0.00 H new ATOM 551 N ASN A 596 3.984 6.534 1.928 1.00 0.00 N ATOM 552 CA ASN A 596 5.399 6.357 2.231 1.00 0.00 C ATOM 553 C ASN A 596 5.837 7.319 3.331 1.00 0.00 C ATOM 554 O ASN A 596 6.320 8.418 3.053 1.00 0.00 O ATOM 555 CB ASN A 596 6.243 6.579 0.973 1.00 0.00 C ATOM 556 CG ASN A 596 7.726 6.399 1.232 1.00 0.00 C ATOM 557 OD1 ASN A 596 8.540 7.247 0.866 1.00 0.00 O ATOM 558 ND2 ASN A 596 8.085 5.290 1.867 1.00 0.00 N ATOM 0 H ASN A 596 3.674 7.506 1.925 1.00 0.00 H new ATOM 0 HA ASN A 596 5.550 5.336 2.582 1.00 0.00 H new ATOM 0 HB2 ASN A 596 5.925 5.882 0.198 1.00 0.00 H new ATOM 0 HB3 ASN A 596 6.063 7.584 0.591 1.00 0.00 H new ATOM 0 HD21 ASN A 596 9.069 5.114 2.070 1.00 0.00 H new ATOM 0 HD22 ASN A 596 7.377 4.614 2.152 1.00 0.00 H new ATOM 565 N GLY A 597 5.657 6.903 4.580 1.00 0.00 N ATOM 566 CA GLY A 597 6.031 7.742 5.705 1.00 0.00 C ATOM 567 C GLY A 597 4.949 8.742 6.060 1.00 0.00 C ATOM 568 O GLY A 597 4.321 8.640 7.114 1.00 0.00 O ATOM 0 H GLY A 597 5.258 5.999 4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 597 6.240 7.114 6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 597 6.952 8.275 5.468 1.00 0.00 H new ATOM 572 N THR A 598 4.728 9.709 5.174 1.00 0.00 N ATOM 573 CA THR A 598 3.711 10.734 5.391 1.00 0.00 C ATOM 574 C THR A 598 3.165 11.246 4.063 1.00 0.00 C ATOM 575 O THR A 598 2.148 11.939 4.025 1.00 0.00 O ATOM 576 CB THR A 598 4.265 11.921 6.200 1.00 0.00 C ATOM 577 OG1 THR A 598 5.628 12.175 5.834 1.00 0.00 O ATOM 578 CG2 THR A 598 4.181 11.646 7.694 1.00 0.00 C ATOM 0 H THR A 598 5.240 9.805 4.297 1.00 0.00 H new ATOM 0 HA THR A 598 2.907 10.268 5.960 1.00 0.00 H new ATOM 0 HB THR A 598 3.659 12.798 5.972 1.00 0.00 H new ATOM 0 HG1 THR A 598 5.970 12.933 6.353 1.00 0.00 H new ATOM 0 HG21 THR A 598 4.578 12.499 8.244 1.00 0.00 H new ATOM 0 HG22 THR A 598 3.141 11.485 7.976 1.00 0.00 H new ATOM 0 HG23 THR A 598 4.764 10.757 7.934 1.00 0.00 H new ATOM 586 N ALA A 599 3.846 10.895 2.976 1.00 0.00 N ATOM 587 CA ALA A 599 3.431 11.313 1.643 1.00 0.00 C ATOM 588 C ALA A 599 3.112 10.105 0.768 1.00 0.00 C ATOM 589 O ALA A 599 3.800 9.087 0.827 1.00 0.00 O ATOM 590 CB ALA A 599 4.511 12.165 0.995 1.00 0.00 C ATOM 0 H ALA A 599 4.689 10.321 2.994 1.00 0.00 H new ATOM 0 HA ALA A 599 2.525 11.911 1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 599 4.186 12.469 0.000 1.00 0.00 H new ATOM 0 HB2 ALA A 599 4.691 13.050 1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 599 5.431 11.587 0.915 1.00 0.00 H new ATOM 596 N LEU A 600 2.063 10.227 -0.041 1.00 0.00 N ATOM 597 CA LEU A 600 1.649 9.144 -0.929 1.00 0.00 C ATOM 598 C LEU A 600 2.798 8.698 -1.828 1.00 0.00 C ATOM 599 O LEU A 600 3.663 9.497 -2.189 1.00 0.00 O ATOM 600 CB LEU A 600 0.460 9.588 -1.785 1.00 0.00 C ATOM 601 CG LEU A 600 -0.072 8.532 -2.755 1.00 0.00 C ATOM 602 CD1 LEU A 600 -1.457 8.069 -2.331 1.00 0.00 C ATOM 603 CD2 LEU A 600 -0.102 9.079 -4.174 1.00 0.00 C ATOM 0 H LEU A 600 1.484 11.065 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 600 1.351 8.298 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 600 -0.351 9.892 -1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 600 0.752 10.469 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 600 0.599 7.673 -2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 600 -1.820 7.318 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 600 -1.406 7.638 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 600 -2.139 8.919 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 600 -0.483 8.314 -4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 600 -0.751 9.954 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 600 0.906 9.361 -4.477 1.00 0.00 H new ATOM 615 N ALA A 601 2.798 7.417 -2.185 1.00 0.00 N ATOM 616 CA ALA A 601 3.836 6.859 -3.042 1.00 0.00 C ATOM 617 C ALA A 601 3.256 6.408 -4.383 1.00 0.00 C ATOM 618 O ALA A 601 2.909 7.238 -5.223 1.00 0.00 O ATOM 619 CB ALA A 601 4.540 5.708 -2.336 1.00 0.00 C ATOM 0 H ALA A 601 2.088 6.745 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 601 4.570 7.638 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 601 5.313 5.300 -2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 601 4.996 6.071 -1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 601 3.816 4.928 -2.100 1.00 0.00 H new ATOM 625 N THR A 602 3.155 5.093 -4.586 1.00 0.00 N ATOM 626 CA THR A 602 2.618 4.561 -5.833 1.00 0.00 C ATOM 627 C THR A 602 1.108 4.353 -5.753 1.00 0.00 C ATOM 628 O THR A 602 0.509 4.426 -4.675 1.00 0.00 O ATOM 629 CB THR A 602 3.298 3.235 -6.231 1.00 0.00 C ATOM 630 OG1 THR A 602 3.061 2.964 -7.618 1.00 0.00 O ATOM 631 CG2 THR A 602 2.785 2.074 -5.393 1.00 0.00 C ATOM 0 H THR A 602 3.436 4.385 -3.908 1.00 0.00 H new ATOM 0 HA THR A 602 2.831 5.306 -6.600 1.00 0.00 H new ATOM 0 HB THR A 602 4.368 3.340 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 602 3.766 2.377 -7.962 1.00 0.00 H new ATOM 0 HG21 THR A 602 3.285 1.155 -5.700 1.00 0.00 H new ATOM 0 HG22 THR A 602 2.992 2.266 -4.340 1.00 0.00 H new ATOM 0 HG23 THR A 602 1.710 1.968 -5.538 1.00 0.00 H new ATOM 639 N THR A 603 0.505 4.091 -6.908 1.00 0.00 N ATOM 640 CA THR A 603 -0.931 3.869 -6.999 1.00 0.00 C ATOM 641 C THR A 603 -1.228 2.625 -7.825 1.00 0.00 C ATOM 642 O THR A 603 -0.834 2.534 -8.988 1.00 0.00 O ATOM 643 CB THR A 603 -1.644 5.075 -7.636 1.00 0.00 C ATOM 644 OG1 THR A 603 -0.742 5.777 -8.500 1.00 0.00 O ATOM 645 CG2 THR A 603 -2.167 6.022 -6.567 1.00 0.00 C ATOM 0 H THR A 603 0.995 4.027 -7.800 1.00 0.00 H new ATOM 0 HA THR A 603 -1.304 3.734 -5.984 1.00 0.00 H new ATOM 0 HB THR A 603 -2.489 4.704 -8.216 1.00 0.00 H new ATOM 0 HG1 THR A 603 -1.204 6.542 -8.903 1.00 0.00 H new ATOM 0 HG21 THR A 603 -2.667 6.866 -7.042 1.00 0.00 H new ATOM 0 HG22 THR A 603 -2.875 5.494 -5.928 1.00 0.00 H new ATOM 0 HG23 THR A 603 -1.335 6.385 -5.964 1.00 0.00 H new ATOM 653 N VAL A 604 -1.913 1.665 -7.218 1.00 0.00 N ATOM 654 CA VAL A 604 -2.248 0.423 -7.901 1.00 0.00 C ATOM 655 C VAL A 604 -3.748 0.145 -7.853 1.00 0.00 C ATOM 656 O VAL A 604 -4.532 0.993 -7.425 1.00 0.00 O ATOM 657 CB VAL A 604 -1.489 -0.764 -7.282 1.00 0.00 C ATOM 658 CG1 VAL A 604 0.005 -0.611 -7.514 1.00 0.00 C ATOM 659 CG2 VAL A 604 -1.792 -0.877 -5.795 1.00 0.00 C ATOM 0 H VAL A 604 -2.247 1.722 -6.256 1.00 0.00 H new ATOM 0 HA VAL A 604 -1.948 0.539 -8.943 1.00 0.00 H new ATOM 0 HB VAL A 604 -1.823 -1.681 -7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 604 0.530 -1.457 -7.071 1.00 0.00 H new ATOM 0 HG12 VAL A 604 0.206 -0.579 -8.585 1.00 0.00 H new ATOM 0 HG13 VAL A 604 0.352 0.313 -7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -1.246 -1.722 -5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -1.486 0.039 -5.291 1.00 0.00 H new ATOM 0 HG23 VAL A 604 -2.862 -1.029 -5.652 1.00 0.00 H new ATOM 669 N THR A 605 -4.139 -1.046 -8.297 1.00 0.00 N ATOM 670 CA THR A 605 -5.543 -1.437 -8.308 1.00 0.00 C ATOM 671 C THR A 605 -5.711 -2.896 -7.897 1.00 0.00 C ATOM 672 O THR A 605 -6.821 -3.351 -7.626 1.00 0.00 O ATOM 673 CB THR A 605 -6.174 -1.234 -9.699 1.00 0.00 C ATOM 674 OG1 THR A 605 -5.309 -1.763 -10.712 1.00 0.00 O ATOM 675 CG2 THR A 605 -6.434 0.241 -9.966 1.00 0.00 C ATOM 0 H THR A 605 -3.501 -1.757 -8.654 1.00 0.00 H new ATOM 0 HA THR A 605 -6.053 -0.797 -7.588 1.00 0.00 H new ATOM 0 HB THR A 605 -7.126 -1.764 -9.722 1.00 0.00 H new ATOM 0 HG1 THR A 605 -5.718 -1.632 -11.593 1.00 0.00 H new ATOM 0 HG21 THR A 605 -6.880 0.359 -10.954 1.00 0.00 H new ATOM 0 HG22 THR A 605 -7.116 0.633 -9.211 1.00 0.00 H new ATOM 0 HG23 THR A 605 -5.493 0.790 -9.925 1.00 0.00 H new ATOM 683 N GLY A 606 -4.598 -3.623 -7.854 1.00 0.00 N ATOM 684 CA GLY A 606 -4.641 -5.025 -7.478 1.00 0.00 C ATOM 685 C GLY A 606 -4.237 -5.250 -6.033 1.00 0.00 C ATOM 686 O GLY A 606 -4.617 -4.483 -5.150 1.00 0.00 O ATOM 0 H GLY A 606 -3.668 -3.266 -8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 606 -5.649 -5.409 -7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 606 -3.978 -5.594 -8.130 1.00 0.00 H new ATOM 690 N THR A 607 -3.464 -6.305 -5.794 1.00 0.00 N ATOM 691 CA THR A 607 -3.008 -6.629 -4.448 1.00 0.00 C ATOM 692 C THR A 607 -1.501 -6.428 -4.317 1.00 0.00 C ATOM 693 O THR A 607 -0.891 -6.848 -3.334 1.00 0.00 O ATOM 694 CB THR A 607 -3.357 -8.081 -4.070 1.00 0.00 C ATOM 695 OG1 THR A 607 -2.651 -8.994 -4.919 1.00 0.00 O ATOM 696 CG2 THR A 607 -4.854 -8.324 -4.190 1.00 0.00 C ATOM 0 H THR A 607 -3.141 -6.950 -6.515 1.00 0.00 H new ATOM 0 HA THR A 607 -3.524 -5.952 -3.767 1.00 0.00 H new ATOM 0 HB THR A 607 -3.058 -8.245 -3.035 1.00 0.00 H new ATOM 0 HG1 THR A 607 -2.878 -9.914 -4.670 1.00 0.00 H new ATOM 0 HG21 THR A 607 -5.078 -9.356 -3.918 1.00 0.00 H new ATOM 0 HG22 THR A 607 -5.387 -7.649 -3.521 1.00 0.00 H new ATOM 0 HG23 THR A 607 -5.171 -8.142 -5.217 1.00 0.00 H new ATOM 704 N THR A 608 -0.910 -5.778 -5.316 1.00 0.00 N ATOM 705 CA THR A 608 0.524 -5.515 -5.318 1.00 0.00 C ATOM 706 C THR A 608 0.812 -4.061 -5.681 1.00 0.00 C ATOM 707 O THR A 608 0.014 -3.412 -6.355 1.00 0.00 O ATOM 708 CB THR A 608 1.263 -6.437 -6.306 1.00 0.00 C ATOM 709 OG1 THR A 608 0.327 -7.043 -7.206 1.00 0.00 O ATOM 710 CG2 THR A 608 2.032 -7.520 -5.563 1.00 0.00 C ATOM 0 H THR A 608 -1.404 -5.424 -6.135 1.00 0.00 H new ATOM 0 HA THR A 608 0.886 -5.715 -4.309 1.00 0.00 H new ATOM 0 HB THR A 608 1.971 -5.832 -6.872 1.00 0.00 H new ATOM 0 HG1 THR A 608 0.805 -7.626 -7.832 1.00 0.00 H new ATOM 0 HG21 THR A 608 2.546 -8.159 -6.281 1.00 0.00 H new ATOM 0 HG22 THR A 608 2.763 -7.057 -4.900 1.00 0.00 H new ATOM 0 HG23 THR A 608 1.338 -8.120 -4.975 1.00 0.00 H new ATOM 718 N ALA A 609 1.954 -3.554 -5.224 1.00 0.00 N ATOM 719 CA ALA A 609 2.344 -2.174 -5.496 1.00 0.00 C ATOM 720 C ALA A 609 3.816 -2.079 -5.882 1.00 0.00 C ATOM 721 O ALA A 609 4.673 -2.709 -5.262 1.00 0.00 O ATOM 722 CB ALA A 609 2.061 -1.300 -4.283 1.00 0.00 C ATOM 0 H ALA A 609 2.626 -4.079 -4.663 1.00 0.00 H new ATOM 0 HA ALA A 609 1.753 -1.817 -6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 609 2.356 -0.273 -4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 609 0.996 -1.331 -4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 609 2.628 -1.669 -3.428 1.00 0.00 H new ATOM 728 N THR A 610 4.100 -1.283 -6.907 1.00 0.00 N ATOM 729 CA THR A 610 5.467 -1.094 -7.380 1.00 0.00 C ATOM 730 C THR A 610 5.889 0.365 -7.252 1.00 0.00 C ATOM 731 O THR A 610 5.350 1.239 -7.934 1.00 0.00 O ATOM 732 CB THR A 610 5.623 -1.542 -8.845 1.00 0.00 C ATOM 733 OG1 THR A 610 4.674 -2.572 -9.147 1.00 0.00 O ATOM 734 CG2 THR A 610 7.033 -2.052 -9.108 1.00 0.00 C ATOM 0 H THR A 610 3.399 -0.756 -7.428 1.00 0.00 H new ATOM 0 HA THR A 610 6.111 -1.712 -6.754 1.00 0.00 H new ATOM 0 HB THR A 610 5.439 -0.680 -9.486 1.00 0.00 H new ATOM 0 HG1 THR A 610 4.779 -2.850 -10.081 1.00 0.00 H new ATOM 0 HG21 THR A 610 7.119 -2.363 -10.149 1.00 0.00 H new ATOM 0 HG22 THR A 610 7.751 -1.257 -8.906 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.240 -2.902 -8.457 1.00 0.00 H new ATOM 742 N ILE A 611 6.849 0.624 -6.371 1.00 0.00 N ATOM 743 CA ILE A 611 7.339 1.981 -6.146 1.00 0.00 C ATOM 744 C ILE A 611 8.732 2.175 -6.739 1.00 0.00 C ATOM 745 O ILE A 611 9.559 1.262 -6.718 1.00 0.00 O ATOM 746 CB ILE A 611 7.378 2.313 -4.640 1.00 0.00 C ATOM 747 CG1 ILE A 611 5.979 2.185 -4.032 1.00 0.00 C ATOM 748 CG2 ILE A 611 7.932 3.713 -4.411 1.00 0.00 C ATOM 749 CD1 ILE A 611 5.946 1.371 -2.757 1.00 0.00 C ATOM 0 H ILE A 611 7.304 -0.088 -5.800 1.00 0.00 H new ATOM 0 HA ILE A 611 6.645 2.657 -6.646 1.00 0.00 H new ATOM 0 HB ILE A 611 8.039 1.600 -4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 611 5.588 3.182 -3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 611 5.314 1.726 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 611 7.951 3.927 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 611 8.944 3.774 -4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.298 4.442 -4.916 1.00 0.00 H new ATOM 0 HD11 ILE A 611 4.923 1.323 -2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.306 0.362 -2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.584 1.841 -2.009 1.00 0.00 H new ATOM 761 N SER A 612 8.984 3.372 -7.266 1.00 0.00 N ATOM 762 CA SER A 612 10.276 3.693 -7.863 1.00 0.00 C ATOM 763 C SER A 612 11.115 4.545 -6.915 1.00 0.00 C ATOM 764 O SER A 612 10.801 4.660 -5.730 1.00 0.00 O ATOM 765 CB SER A 612 10.078 4.425 -9.192 1.00 0.00 C ATOM 766 OG SER A 612 8.887 4.005 -9.833 1.00 0.00 O ATOM 0 H SER A 612 8.308 4.136 -7.291 1.00 0.00 H new ATOM 0 HA SER A 612 10.808 2.760 -8.048 1.00 0.00 H new ATOM 0 HB2 SER A 612 10.040 5.500 -9.016 1.00 0.00 H new ATOM 0 HB3 SER A 612 10.931 4.238 -9.844 1.00 0.00 H new ATOM 0 HG SER A 612 8.783 4.489 -10.679 1.00 0.00 H new ATOM 772 N GLY A 613 12.185 5.140 -7.443 1.00 0.00 N ATOM 773 CA GLY A 613 13.051 5.970 -6.624 1.00 0.00 C ATOM 774 C GLY A 613 13.644 5.200 -5.461 1.00 0.00 C ATOM 775 O GLY A 613 14.498 4.338 -5.654 1.00 0.00 O ATOM 0 H GLY A 613 12.465 5.061 -8.421 1.00 0.00 H new ATOM 0 HA2 GLY A 613 13.855 6.372 -7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 613 12.485 6.820 -6.244 1.00 0.00 H new ATOM 779 N LEU A 614 13.172 5.504 -4.254 1.00 0.00 N ATOM 780 CA LEU A 614 13.640 4.827 -3.048 1.00 0.00 C ATOM 781 C LEU A 614 15.152 4.946 -2.877 1.00 0.00 C ATOM 782 O LEU A 614 15.921 4.261 -3.553 1.00 0.00 O ATOM 783 CB LEU A 614 13.232 3.353 -3.095 1.00 0.00 C ATOM 784 CG LEU A 614 12.208 2.913 -2.043 1.00 0.00 C ATOM 785 CD1 LEU A 614 11.159 3.993 -1.827 1.00 0.00 C ATOM 786 CD2 LEU A 614 11.551 1.607 -2.463 1.00 0.00 C ATOM 0 H LEU A 614 12.463 6.218 -4.086 1.00 0.00 H new ATOM 0 HA LEU A 614 13.175 5.313 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 614 12.825 3.139 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 614 14.128 2.743 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 614 12.730 2.754 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 614 10.442 3.659 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 614 11.643 4.908 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 614 10.638 4.187 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 614 10.826 1.305 -1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 614 11.044 1.745 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 614 12.312 0.833 -2.565 1.00 0.00 H new ATOM 798 N ALA A 615 15.572 5.810 -1.958 1.00 0.00 N ATOM 799 CA ALA A 615 16.991 6.007 -1.689 1.00 0.00 C ATOM 800 C ALA A 615 17.583 4.781 -1.002 1.00 0.00 C ATOM 801 O ALA A 615 17.251 4.481 0.146 1.00 0.00 O ATOM 802 CB ALA A 615 17.200 7.246 -0.832 1.00 0.00 C ATOM 0 H ALA A 615 14.950 6.384 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 615 17.504 6.150 -2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 615 18.264 7.380 -0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 615 16.813 8.120 -1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 615 16.672 7.127 0.114 1.00 0.00 H new ATOM 808 N ALA A 616 18.453 4.071 -1.714 1.00 0.00 N ATOM 809 CA ALA A 616 19.086 2.870 -1.180 1.00 0.00 C ATOM 810 C ALA A 616 19.820 3.159 0.127 1.00 0.00 C ATOM 811 O ALA A 616 20.069 4.317 0.468 1.00 0.00 O ATOM 812 CB ALA A 616 20.042 2.279 -2.204 1.00 0.00 C ATOM 0 H ALA A 616 18.736 4.308 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 616 18.301 2.145 -0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 616 20.508 1.383 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 616 19.492 2.019 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 616 20.813 3.010 -2.446 1.00 0.00 H new ATOM 818 N ASP A 617 20.162 2.096 0.853 1.00 0.00 N ATOM 819 CA ASP A 617 20.866 2.222 2.125 1.00 0.00 C ATOM 820 C ASP A 617 20.054 3.043 3.122 1.00 0.00 C ATOM 821 O ASP A 617 20.611 3.686 4.013 1.00 0.00 O ATOM 822 CB ASP A 617 22.242 2.862 1.914 1.00 0.00 C ATOM 823 CG ASP A 617 23.321 1.835 1.636 1.00 0.00 C ATOM 824 OD1 ASP A 617 23.778 1.179 2.597 1.00 0.00 O ATOM 825 OD2 ASP A 617 23.711 1.686 0.459 1.00 0.00 O ATOM 0 H ASP A 617 19.961 1.134 0.579 1.00 0.00 H new ATOM 0 HA ASP A 617 21.000 1.221 2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 617 22.189 3.564 1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 617 22.512 3.437 2.800 1.00 0.00 H new ATOM 830 N THR A 618 18.733 3.019 2.967 1.00 0.00 N ATOM 831 CA THR A 618 17.844 3.760 3.855 1.00 0.00 C ATOM 832 C THR A 618 16.580 2.964 4.168 1.00 0.00 C ATOM 833 O THR A 618 15.996 2.337 3.285 1.00 0.00 O ATOM 834 CB THR A 618 17.447 5.116 3.247 1.00 0.00 C ATOM 835 OG1 THR A 618 18.540 5.655 2.495 1.00 0.00 O ATOM 836 CG2 THR A 618 17.039 6.099 4.334 1.00 0.00 C ATOM 0 H THR A 618 18.255 2.494 2.234 1.00 0.00 H new ATOM 0 HA THR A 618 18.396 3.931 4.779 1.00 0.00 H new ATOM 0 HB THR A 618 16.595 4.957 2.586 1.00 0.00 H new ATOM 0 HG1 THR A 618 18.508 5.310 1.578 1.00 0.00 H new ATOM 0 HG21 THR A 618 16.763 7.050 3.879 1.00 0.00 H new ATOM 0 HG22 THR A 618 16.188 5.699 4.885 1.00 0.00 H new ATOM 0 HG23 THR A 618 17.874 6.253 5.018 1.00 0.00 H new ATOM 844 N SER A 619 16.160 3.003 5.430 1.00 0.00 N ATOM 845 CA SER A 619 14.960 2.292 5.860 1.00 0.00 C ATOM 846 C SER A 619 13.708 3.090 5.510 1.00 0.00 C ATOM 847 O SER A 619 13.723 4.321 5.525 1.00 0.00 O ATOM 848 CB SER A 619 15.012 2.030 7.366 1.00 0.00 C ATOM 849 OG SER A 619 15.490 3.166 8.066 1.00 0.00 O ATOM 0 H SER A 619 16.633 3.519 6.172 1.00 0.00 H new ATOM 0 HA SER A 619 14.920 1.337 5.336 1.00 0.00 H new ATOM 0 HB2 SER A 619 14.017 1.769 7.727 1.00 0.00 H new ATOM 0 HB3 SER A 619 15.659 1.176 7.567 1.00 0.00 H new ATOM 0 HG SER A 619 15.512 2.973 9.027 1.00 0.00 H new ATOM 855 N TYR A 620 12.626 2.385 5.189 1.00 0.00 N ATOM 856 CA TYR A 620 11.374 3.039 4.829 1.00 0.00 C ATOM 857 C TYR A 620 10.171 2.307 5.414 1.00 0.00 C ATOM 858 O TYR A 620 10.181 1.084 5.554 1.00 0.00 O ATOM 859 CB TYR A 620 11.239 3.112 3.307 1.00 0.00 C ATOM 860 CG TYR A 620 12.136 4.148 2.669 1.00 0.00 C ATOM 861 CD1 TYR A 620 11.994 5.499 2.963 1.00 0.00 C ATOM 862 CD2 TYR A 620 13.127 3.773 1.772 1.00 0.00 C ATOM 863 CE1 TYR A 620 12.815 6.445 2.381 1.00 0.00 C ATOM 864 CE2 TYR A 620 13.952 4.713 1.186 1.00 0.00 C ATOM 865 CZ TYR A 620 13.792 6.047 1.494 1.00 0.00 C ATOM 866 OH TYR A 620 14.612 6.987 0.913 1.00 0.00 O ATOM 0 H TYR A 620 12.592 1.366 5.171 1.00 0.00 H new ATOM 0 HA TYR A 620 11.395 4.046 5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 620 11.468 2.134 2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 620 10.203 3.335 3.053 1.00 0.00 H new ATOM 0 HD1 TYR A 620 11.229 5.814 3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 620 13.255 2.729 1.528 1.00 0.00 H new ATOM 0 HE1 TYR A 620 12.692 7.491 2.620 1.00 0.00 H new ATOM 0 HE2 TYR A 620 14.718 4.405 0.490 1.00 0.00 H new ATOM 0 HH TYR A 620 14.724 7.745 1.524 1.00 0.00 H new ATOM 876 N THR A 621 9.131 3.069 5.738 1.00 0.00 N ATOM 877 CA THR A 621 7.906 2.505 6.292 1.00 0.00 C ATOM 878 C THR A 621 6.747 2.726 5.329 1.00 0.00 C ATOM 879 O THR A 621 6.426 3.864 4.984 1.00 0.00 O ATOM 880 CB THR A 621 7.560 3.130 7.656 1.00 0.00 C ATOM 881 OG1 THR A 621 8.736 3.692 8.252 1.00 0.00 O ATOM 882 CG2 THR A 621 6.963 2.088 8.590 1.00 0.00 C ATOM 0 H THR A 621 9.113 4.083 5.626 1.00 0.00 H new ATOM 0 HA THR A 621 8.072 1.437 6.436 1.00 0.00 H new ATOM 0 HB THR A 621 6.824 3.918 7.494 1.00 0.00 H new ATOM 0 HG1 THR A 621 8.506 4.089 9.118 1.00 0.00 H new ATOM 0 HG21 THR A 621 6.726 2.551 9.548 1.00 0.00 H new ATOM 0 HG22 THR A 621 6.053 1.682 8.148 1.00 0.00 H new ATOM 0 HG23 THR A 621 7.682 1.283 8.744 1.00 0.00 H new ATOM 890 N PHE A 622 6.133 1.636 4.880 1.00 0.00 N ATOM 891 CA PHE A 622 5.025 1.728 3.936 1.00 0.00 C ATOM 892 C PHE A 622 3.691 1.368 4.577 1.00 0.00 C ATOM 893 O PHE A 622 3.638 0.745 5.638 1.00 0.00 O ATOM 894 CB PHE A 622 5.274 0.813 2.738 1.00 0.00 C ATOM 895 CG PHE A 622 6.443 1.233 1.895 1.00 0.00 C ATOM 896 CD1 PHE A 622 6.302 2.226 0.940 1.00 0.00 C ATOM 897 CD2 PHE A 622 7.683 0.634 2.055 1.00 0.00 C ATOM 898 CE1 PHE A 622 7.374 2.616 0.162 1.00 0.00 C ATOM 899 CE2 PHE A 622 8.759 1.020 1.279 1.00 0.00 C ATOM 900 CZ PHE A 622 8.609 2.009 0.337 1.00 0.00 C ATOM 0 H PHE A 622 6.382 0.685 5.152 1.00 0.00 H new ATOM 0 HA PHE A 622 4.971 2.766 3.608 1.00 0.00 H new ATOM 0 HB2 PHE A 622 5.441 -0.203 3.096 1.00 0.00 H new ATOM 0 HB3 PHE A 622 4.379 0.789 2.117 1.00 0.00 H new ATOM 0 HD1 PHE A 622 5.342 2.701 0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 622 7.809 -0.143 2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 622 7.251 3.391 -0.580 1.00 0.00 H new ATOM 0 HE2 PHE A 622 9.719 0.544 1.413 1.00 0.00 H new ATOM 0 HZ PHE A 622 9.451 2.313 -0.266 1.00 0.00 H new ATOM 910 N THR A 623 2.617 1.761 3.901 1.00 0.00 N ATOM 911 CA THR A 623 1.259 1.491 4.355 1.00 0.00 C ATOM 912 C THR A 623 0.312 1.487 3.161 1.00 0.00 C ATOM 913 O THR A 623 0.481 2.271 2.229 1.00 0.00 O ATOM 914 CB THR A 623 0.781 2.540 5.377 1.00 0.00 C ATOM 915 OG1 THR A 623 1.379 3.811 5.093 1.00 0.00 O ATOM 916 CG2 THR A 623 1.131 2.115 6.796 1.00 0.00 C ATOM 0 H THR A 623 2.664 2.276 3.022 1.00 0.00 H new ATOM 0 HA THR A 623 1.259 0.516 4.842 1.00 0.00 H new ATOM 0 HB THR A 623 -0.303 2.623 5.297 1.00 0.00 H new ATOM 0 HG1 THR A 623 1.068 4.472 5.746 1.00 0.00 H new ATOM 0 HG21 THR A 623 0.783 2.872 7.499 1.00 0.00 H new ATOM 0 HG22 THR A 623 0.649 1.163 7.020 1.00 0.00 H new ATOM 0 HG23 THR A 623 2.212 2.005 6.887 1.00 0.00 H new ATOM 924 N VAL A 624 -0.677 0.601 3.179 1.00 0.00 N ATOM 925 CA VAL A 624 -1.626 0.517 2.074 1.00 0.00 C ATOM 926 C VAL A 624 -2.993 1.059 2.466 1.00 0.00 C ATOM 927 O VAL A 624 -3.451 0.873 3.594 1.00 0.00 O ATOM 928 CB VAL A 624 -1.783 -0.926 1.556 1.00 0.00 C ATOM 929 CG1 VAL A 624 -0.999 -1.117 0.268 1.00 0.00 C ATOM 930 CG2 VAL A 624 -1.342 -1.932 2.609 1.00 0.00 C ATOM 0 H VAL A 624 -0.842 -0.062 3.936 1.00 0.00 H new ATOM 0 HA VAL A 624 -1.214 1.133 1.274 1.00 0.00 H new ATOM 0 HB VAL A 624 -2.838 -1.100 1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 624 -1.121 -2.141 -0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 624 -1.370 -0.427 -0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 624 0.057 -0.920 0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 624 -1.462 -2.943 2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 624 -0.295 -1.762 2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 624 -1.953 -1.813 3.504 1.00 0.00 H new ATOM 940 N LYS A 625 -3.637 1.736 1.521 1.00 0.00 N ATOM 941 CA LYS A 625 -4.951 2.318 1.749 1.00 0.00 C ATOM 942 C LYS A 625 -5.901 1.982 0.604 1.00 0.00 C ATOM 943 O LYS A 625 -5.494 1.932 -0.556 1.00 0.00 O ATOM 944 CB LYS A 625 -4.827 3.829 1.897 1.00 0.00 C ATOM 945 CG LYS A 625 -4.747 4.277 3.344 1.00 0.00 C ATOM 946 CD LYS A 625 -5.928 5.154 3.705 1.00 0.00 C ATOM 947 CE LYS A 625 -5.763 5.776 5.080 1.00 0.00 C ATOM 948 NZ LYS A 625 -6.697 6.917 5.286 1.00 0.00 N ATOM 0 H LYS A 625 -3.265 1.895 0.584 1.00 0.00 H new ATOM 0 HA LYS A 625 -5.361 1.897 2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 625 -3.937 4.169 1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 625 -5.683 4.307 1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 625 -4.723 3.405 3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 625 -3.819 4.824 3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 625 -6.038 5.942 2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 625 -6.843 4.562 3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 625 -5.939 5.019 5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 625 -4.736 6.120 5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 625 -6.486 7.379 6.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 625 -6.582 7.603 4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 625 -7.676 6.567 5.296 1.00 0.00 H new ATOM 962 N ALA A 626 -7.168 1.751 0.936 1.00 0.00 N ATOM 963 CA ALA A 626 -8.170 1.419 -0.070 1.00 0.00 C ATOM 964 C ALA A 626 -9.071 2.614 -0.363 1.00 0.00 C ATOM 965 O ALA A 626 -9.480 3.332 0.549 1.00 0.00 O ATOM 966 CB ALA A 626 -8.998 0.227 0.382 1.00 0.00 C ATOM 0 H ALA A 626 -7.524 1.788 1.891 1.00 0.00 H new ATOM 0 HA ALA A 626 -7.650 1.156 -0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 626 -9.742 -0.009 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 626 -8.346 -0.633 0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 626 -9.501 0.468 1.319 1.00 0.00 H new ATOM 972 N LYS A 627 -9.376 2.819 -1.640 1.00 0.00 N ATOM 973 CA LYS A 627 -10.230 3.926 -2.057 1.00 0.00 C ATOM 974 C LYS A 627 -11.364 3.431 -2.949 1.00 0.00 C ATOM 975 O LYS A 627 -11.152 2.603 -3.835 1.00 0.00 O ATOM 976 CB LYS A 627 -9.407 4.984 -2.796 1.00 0.00 C ATOM 977 CG LYS A 627 -8.325 4.398 -3.689 1.00 0.00 C ATOM 978 CD LYS A 627 -7.740 5.449 -4.619 1.00 0.00 C ATOM 979 CE LYS A 627 -7.741 4.975 -6.063 1.00 0.00 C ATOM 980 NZ LYS A 627 -7.754 6.114 -7.022 1.00 0.00 N ATOM 0 H LYS A 627 -9.044 2.232 -2.405 1.00 0.00 H new ATOM 0 HA LYS A 627 -10.664 4.374 -1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 627 -10.076 5.595 -3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 627 -8.944 5.648 -2.066 1.00 0.00 H new ATOM 0 HG2 LYS A 627 -7.532 3.975 -3.072 1.00 0.00 H new ATOM 0 HG3 LYS A 627 -8.741 3.581 -4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 627 -8.316 6.371 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 627 -6.720 5.682 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 627 -6.860 4.359 -6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 627 -8.612 4.344 -6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 627 -7.754 5.748 -7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 627 -8.607 6.688 -6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 627 -6.909 6.702 -6.874 1.00 0.00 H new ATOM 994 N ASP A 628 -12.567 3.944 -2.708 1.00 0.00 N ATOM 995 CA ASP A 628 -13.735 3.553 -3.490 1.00 0.00 C ATOM 996 C ASP A 628 -14.074 4.614 -4.534 1.00 0.00 C ATOM 997 O ASP A 628 -13.545 5.725 -4.498 1.00 0.00 O ATOM 998 CB ASP A 628 -14.934 3.312 -2.566 1.00 0.00 C ATOM 999 CG ASP A 628 -16.010 4.371 -2.709 1.00 0.00 C ATOM 1000 OD1 ASP A 628 -15.795 5.506 -2.234 1.00 0.00 O ATOM 1001 OD2 ASP A 628 -17.069 4.065 -3.299 1.00 0.00 O ATOM 0 H ASP A 628 -12.758 4.631 -1.978 1.00 0.00 H new ATOM 0 HA ASP A 628 -13.501 2.626 -4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 628 -15.363 2.334 -2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 628 -14.590 3.287 -1.532 1.00 0.00 H new ATOM 1006 N ALA A 629 -14.959 4.262 -5.463 1.00 0.00 N ATOM 1007 CA ALA A 629 -15.370 5.181 -6.517 1.00 0.00 C ATOM 1008 C ALA A 629 -16.500 6.091 -6.043 1.00 0.00 C ATOM 1009 O ALA A 629 -17.537 6.204 -6.697 1.00 0.00 O ATOM 1010 CB ALA A 629 -15.798 4.405 -7.754 1.00 0.00 C ATOM 0 H ALA A 629 -15.405 3.346 -5.506 1.00 0.00 H new ATOM 0 HA ALA A 629 -14.516 5.809 -6.772 1.00 0.00 H new ATOM 0 HB1 ALA A 629 -16.103 5.103 -8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 629 -14.963 3.802 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 629 -16.635 3.753 -7.503 1.00 0.00 H new ATOM 1016 N ALA A 630 -16.291 6.738 -4.901 1.00 0.00 N ATOM 1017 CA ALA A 630 -17.292 7.638 -4.338 1.00 0.00 C ATOM 1018 C ALA A 630 -16.642 8.721 -3.484 1.00 0.00 C ATOM 1019 O ALA A 630 -17.202 9.803 -3.305 1.00 0.00 O ATOM 1020 CB ALA A 630 -18.303 6.853 -3.517 1.00 0.00 C ATOM 0 H ALA A 630 -15.438 6.656 -4.347 1.00 0.00 H new ATOM 0 HA ALA A 630 -17.809 8.127 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.044 7.536 -3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -18.800 6.122 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.790 6.338 -2.705 1.00 0.00 H new ATOM 1026 N GLY A 631 -15.460 8.420 -2.955 1.00 0.00 N ATOM 1027 CA GLY A 631 -14.754 9.376 -2.122 1.00 0.00 C ATOM 1028 C GLY A 631 -14.579 8.881 -0.700 1.00 0.00 C ATOM 1029 O GLY A 631 -14.502 9.676 0.236 1.00 0.00 O ATOM 0 H GLY A 631 -14.979 7.531 -3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 631 -13.775 9.580 -2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 631 -15.301 10.319 -2.111 1.00 0.00 H new ATOM 1033 N ASN A 632 -14.514 7.563 -0.541 1.00 0.00 N ATOM 1034 CA ASN A 632 -14.347 6.957 0.775 1.00 0.00 C ATOM 1035 C ASN A 632 -13.093 6.092 0.814 1.00 0.00 C ATOM 1036 O ASN A 632 -12.927 5.186 -0.004 1.00 0.00 O ATOM 1037 CB ASN A 632 -15.573 6.116 1.134 1.00 0.00 C ATOM 1038 CG ASN A 632 -16.872 6.781 0.722 1.00 0.00 C ATOM 1039 OD1 ASN A 632 -17.572 6.302 -0.169 1.00 0.00 O ATOM 1040 ND2 ASN A 632 -17.199 7.893 1.370 1.00 0.00 N ATOM 0 H ASN A 632 -14.575 6.894 -1.308 1.00 0.00 H new ATOM 0 HA ASN A 632 -14.241 7.757 1.507 1.00 0.00 H new ATOM 0 HB2 ASN A 632 -15.497 5.143 0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 632 -15.585 5.937 2.209 1.00 0.00 H new ATOM 0 HD21 ASN A 632 -18.061 8.385 1.135 1.00 0.00 H new ATOM 0 HD22 ASN A 632 -16.588 8.255 2.103 1.00 0.00 H new ATOM 1047 N VAL A 633 -12.211 6.378 1.766 1.00 0.00 N ATOM 1048 CA VAL A 633 -10.970 5.626 1.907 1.00 0.00 C ATOM 1049 C VAL A 633 -10.869 4.973 3.281 1.00 0.00 C ATOM 1050 O VAL A 633 -11.163 5.597 4.301 1.00 0.00 O ATOM 1051 CB VAL A 633 -9.740 6.524 1.686 1.00 0.00 C ATOM 1052 CG1 VAL A 633 -9.591 6.874 0.214 1.00 0.00 C ATOM 1053 CG2 VAL A 633 -9.842 7.781 2.531 1.00 0.00 C ATOM 0 H VAL A 633 -12.333 7.124 2.451 1.00 0.00 H new ATOM 0 HA VAL A 633 -10.987 4.849 1.142 1.00 0.00 H new ATOM 0 HB VAL A 633 -8.851 5.975 1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 633 -8.716 7.509 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 633 -9.469 5.960 -0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 633 -10.481 7.404 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 633 -8.964 8.405 2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 633 -10.739 8.334 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 633 -9.896 7.508 3.585 1.00 0.00 H new ATOM 1063 N SER A 634 -10.448 3.712 3.299 1.00 0.00 N ATOM 1064 CA SER A 634 -10.302 2.967 4.545 1.00 0.00 C ATOM 1065 C SER A 634 -9.134 3.509 5.364 1.00 0.00 C ATOM 1066 O SER A 634 -8.602 4.579 5.072 1.00 0.00 O ATOM 1067 CB SER A 634 -10.087 1.481 4.249 1.00 0.00 C ATOM 1068 OG SER A 634 -9.122 1.300 3.228 1.00 0.00 O ATOM 0 H SER A 634 -10.201 3.183 2.462 1.00 0.00 H new ATOM 0 HA SER A 634 -11.217 3.087 5.125 1.00 0.00 H new ATOM 0 HB2 SER A 634 -9.763 0.969 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 634 -11.031 1.027 3.947 1.00 0.00 H new ATOM 0 HG SER A 634 -8.225 1.293 3.623 1.00 0.00 H new ATOM 1074 N ALA A 635 -8.737 2.761 6.389 1.00 0.00 N ATOM 1075 CA ALA A 635 -7.629 3.166 7.244 1.00 0.00 C ATOM 1076 C ALA A 635 -6.307 2.625 6.713 1.00 0.00 C ATOM 1077 O ALA A 635 -6.287 1.719 5.879 1.00 0.00 O ATOM 1078 CB ALA A 635 -7.860 2.689 8.670 1.00 0.00 C ATOM 0 H ALA A 635 -9.166 1.872 6.647 1.00 0.00 H new ATOM 0 HA ALA A 635 -7.577 4.255 7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 635 -7.024 2.999 9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 635 -8.783 3.124 9.054 1.00 0.00 H new ATOM 0 HB3 ALA A 635 -7.939 1.602 8.682 1.00 0.00 H new ATOM 1084 N ALA A 636 -5.204 3.183 7.200 1.00 0.00 N ATOM 1085 CA ALA A 636 -3.879 2.751 6.773 1.00 0.00 C ATOM 1086 C ALA A 636 -3.519 1.409 7.401 1.00 0.00 C ATOM 1087 O ALA A 636 -3.587 1.245 8.620 1.00 0.00 O ATOM 1088 CB ALA A 636 -2.841 3.804 7.133 1.00 0.00 C ATOM 0 H ALA A 636 -5.201 3.934 7.890 1.00 0.00 H new ATOM 0 HA ALA A 636 -3.890 2.627 5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 636 -1.856 3.469 6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 636 -3.087 4.742 6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 636 -2.836 3.956 8.212 1.00 0.00 H new ATOM 1094 N SER A 637 -3.142 0.449 6.563 1.00 0.00 N ATOM 1095 CA SER A 637 -2.779 -0.884 7.036 1.00 0.00 C ATOM 1096 C SER A 637 -1.537 -0.832 7.923 1.00 0.00 C ATOM 1097 O SER A 637 -1.005 0.241 8.205 1.00 0.00 O ATOM 1098 CB SER A 637 -2.534 -1.819 5.852 1.00 0.00 C ATOM 1099 OG SER A 637 -1.148 -2.000 5.621 1.00 0.00 O ATOM 0 H SER A 637 -3.080 0.568 5.552 1.00 0.00 H new ATOM 0 HA SER A 637 -3.609 -1.268 7.629 1.00 0.00 H new ATOM 0 HB2 SER A 637 -3.002 -2.784 6.044 1.00 0.00 H new ATOM 0 HB3 SER A 637 -3.004 -1.409 4.958 1.00 0.00 H new ATOM 0 HG SER A 637 -0.923 -2.950 5.711 1.00 0.00 H new ATOM 1105 N ASN A 638 -1.085 -2.004 8.360 1.00 0.00 N ATOM 1106 CA ASN A 638 0.091 -2.103 9.216 1.00 0.00 C ATOM 1107 C ASN A 638 1.318 -1.507 8.532 1.00 0.00 C ATOM 1108 O ASN A 638 1.368 -1.403 7.307 1.00 0.00 O ATOM 1109 CB ASN A 638 0.354 -3.560 9.587 1.00 0.00 C ATOM 1110 CG ASN A 638 -0.016 -3.867 11.024 1.00 0.00 C ATOM 1111 OD1 ASN A 638 -1.187 -3.819 11.399 1.00 0.00 O ATOM 1112 ND2 ASN A 638 0.984 -4.183 11.838 1.00 0.00 N ATOM 0 H ASN A 638 -1.517 -2.900 8.134 1.00 0.00 H new ATOM 0 HA ASN A 638 -0.104 -1.534 10.125 1.00 0.00 H new ATOM 0 HB2 ASN A 638 -0.215 -4.210 8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 638 1.408 -3.787 9.430 1.00 0.00 H new ATOM 0 HD21 ASN A 638 0.796 -4.398 12.817 1.00 0.00 H new ATOM 0 HD22 ASN A 638 1.940 -4.211 11.484 1.00 0.00 H new ATOM 1119 N ALA A 639 2.306 -1.119 9.334 1.00 0.00 N ATOM 1120 CA ALA A 639 3.532 -0.533 8.807 1.00 0.00 C ATOM 1121 C ALA A 639 4.579 -1.606 8.527 1.00 0.00 C ATOM 1122 O ALA A 639 4.849 -2.460 9.373 1.00 0.00 O ATOM 1123 CB ALA A 639 4.081 0.501 9.779 1.00 0.00 C ATOM 0 H ALA A 639 2.280 -1.200 10.350 1.00 0.00 H new ATOM 0 HA ALA A 639 3.294 -0.041 7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 639 4.997 0.931 9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 639 3.343 1.290 9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 639 4.297 0.023 10.735 1.00 0.00 H new ATOM 1129 N VAL A 640 5.164 -1.555 7.335 1.00 0.00 N ATOM 1130 CA VAL A 640 6.182 -2.519 6.939 1.00 0.00 C ATOM 1131 C VAL A 640 7.539 -1.842 6.762 1.00 0.00 C ATOM 1132 O VAL A 640 7.743 -1.072 5.823 1.00 0.00 O ATOM 1133 CB VAL A 640 5.793 -3.235 5.629 1.00 0.00 C ATOM 1134 CG1 VAL A 640 4.758 -4.316 5.902 1.00 0.00 C ATOM 1135 CG2 VAL A 640 5.271 -2.237 4.607 1.00 0.00 C ATOM 0 H VAL A 640 4.949 -0.854 6.626 1.00 0.00 H new ATOM 0 HA VAL A 640 6.254 -3.257 7.738 1.00 0.00 H new ATOM 0 HB VAL A 640 6.684 -3.708 5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 640 4.494 -4.812 4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 640 5.171 -5.048 6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 640 3.867 -3.865 6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 640 5.002 -2.762 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 640 4.392 -1.732 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 640 6.045 -1.500 4.390 1.00 0.00 H new ATOM 1145 N SER A 641 8.460 -2.130 7.676 1.00 0.00 N ATOM 1146 CA SER A 641 9.796 -1.546 7.627 1.00 0.00 C ATOM 1147 C SER A 641 10.723 -2.374 6.745 1.00 0.00 C ATOM 1148 O SER A 641 10.958 -3.553 7.009 1.00 0.00 O ATOM 1149 CB SER A 641 10.378 -1.437 9.038 1.00 0.00 C ATOM 1150 OG SER A 641 9.809 -2.406 9.901 1.00 0.00 O ATOM 0 H SER A 641 8.306 -2.764 8.460 1.00 0.00 H new ATOM 0 HA SER A 641 9.713 -0.548 7.196 1.00 0.00 H new ATOM 0 HB2 SER A 641 11.459 -1.570 9.000 1.00 0.00 H new ATOM 0 HB3 SER A 641 10.193 -0.439 9.435 1.00 0.00 H new ATOM 0 HG SER A 641 10.199 -2.316 10.796 1.00 0.00 H new ATOM 1156 N VAL A 642 11.245 -1.749 5.694 1.00 0.00 N ATOM 1157 CA VAL A 642 12.146 -2.427 4.770 1.00 0.00 C ATOM 1158 C VAL A 642 13.474 -1.686 4.650 1.00 0.00 C ATOM 1159 O VAL A 642 13.567 -0.501 4.973 1.00 0.00 O ATOM 1160 CB VAL A 642 11.516 -2.562 3.371 1.00 0.00 C ATOM 1161 CG1 VAL A 642 10.398 -3.593 3.387 1.00 0.00 C ATOM 1162 CG2 VAL A 642 11.001 -1.215 2.884 1.00 0.00 C ATOM 0 H VAL A 642 11.059 -0.773 5.461 1.00 0.00 H new ATOM 0 HA VAL A 642 12.326 -3.422 5.177 1.00 0.00 H new ATOM 0 HB VAL A 642 12.285 -2.903 2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 642 9.964 -3.675 2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 642 10.799 -4.560 3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 642 9.628 -3.283 4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 642 10.560 -1.331 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.246 -0.842 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 642 11.828 -0.507 2.832 1.00 0.00 H new ATOM 1172 N LYS A 643 14.497 -2.392 4.179 1.00 0.00 N ATOM 1173 CA LYS A 643 15.821 -1.804 4.014 1.00 0.00 C ATOM 1174 C LYS A 643 16.252 -1.837 2.551 1.00 0.00 C ATOM 1175 O LYS A 643 16.491 -2.905 1.989 1.00 0.00 O ATOM 1176 CB LYS A 643 16.844 -2.548 4.874 1.00 0.00 C ATOM 1177 CG LYS A 643 17.095 -1.895 6.223 1.00 0.00 C ATOM 1178 CD LYS A 643 18.259 -0.919 6.161 1.00 0.00 C ATOM 1179 CE LYS A 643 19.430 -1.393 7.005 1.00 0.00 C ATOM 1180 NZ LYS A 643 20.495 -0.358 7.107 1.00 0.00 N ATOM 0 H LYS A 643 14.434 -3.372 3.905 1.00 0.00 H new ATOM 0 HA LYS A 643 15.772 -0.764 4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 643 16.498 -3.569 5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 643 17.786 -2.612 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 643 16.196 -1.371 6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 643 17.302 -2.664 6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 643 18.580 -0.800 5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 643 17.932 0.061 6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 643 19.077 -1.651 8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 643 19.847 -2.301 6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 643 21.276 -0.720 7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 643 20.850 -0.130 6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 643 20.104 0.500 7.545 1.00 0.00 H new ATOM 1194 N THR A 644 16.347 -0.660 1.940 1.00 0.00 N ATOM 1195 CA THR A 644 16.748 -0.554 0.543 1.00 0.00 C ATOM 1196 C THR A 644 18.266 -0.521 0.407 1.00 0.00 C ATOM 1197 O THR A 644 18.754 -0.328 -0.726 1.00 0.00 O ATOM 1198 CB THR A 644 16.157 0.706 -0.118 1.00 0.00 C ATOM 1199 OG1 THR A 644 16.551 1.874 0.613 1.00 0.00 O ATOM 1200 CG2 THR A 644 14.639 0.626 -0.177 1.00 0.00 C ATOM 1201 OXT THR A 644 18.954 -0.686 1.436 1.00 0.00 O ATOM 0 H THR A 644 16.151 0.234 2.391 1.00 0.00 H new ATOM 0 HA THR A 644 16.360 -1.437 0.036 1.00 0.00 H new ATOM 0 HB THR A 644 16.541 0.769 -1.136 1.00 0.00 H new ATOM 0 HG1 THR A 644 16.117 1.872 1.492 1.00 0.00 H new ATOM 0 HG21 THR A 644 14.245 1.527 -0.648 1.00 0.00 H new ATOM 0 HG22 THR A 644 14.343 -0.247 -0.759 1.00 0.00 H new ATOM 0 HG23 THR A 644 14.240 0.540 0.834 1.00 0.00 H new