USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 845 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 547 HIS :FLIP no HD1:sc= -2.47 F(o=-3.9!,f=-2.5) USER MOD Set 1.2: A 587 GLN : amide:sc= 0 X(o=-2.5,f=-2.9) USER MOD Single : A 530 SER OG : rot 180:sc= 0 USER MOD Single : A 531 SER OG : rot 180:sc= 0 USER MOD Single : A 533 SER OG : rot 180:sc= 0 USER MOD Single : A 534 SER OG : rot 180:sc= 0 USER MOD Single : A 540 ASN : amide:sc= -0.526 K(o=-0.53,f=-1.6!) USER MOD Single : A 541 SER OG : rot 44:sc= 0.918 USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 CYS SG : rot 17:sc= -1.13 USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= -4.95! C(o=-4.9!,f=-6.4!) USER MOD Single : A 554 SER OG : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 LYS NZ :NH3+ -138:sc= 0.36 (180deg=-0.00606) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 562 GLN : amide:sc= -0.435 X(o=-0.43,f=-0.43) USER MOD Single : A 572 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 575 HIS : no HD1:sc= -1.97 K(o=-2,f=-4!) USER MOD Single : A 580 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 581 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 583 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 591 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 SER OG : rot -47:sc= 0.387 USER MOD Single : A 605 HIS : no HD1:sc= -4.49 K(o=-4.5,f=-8.1!) USER MOD Single : A 607 LYS NZ :NH3+ -156:sc= -0.194 (180deg=-0.808) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -0.0916 K(o=-0.092,f=-0.81) USER MOD Single : A 617 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 620 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 630 ASN : amide:sc= -0.448 K(o=-0.45,f=-1.2) USER MOD Single : A 634 GLN : amide:sc=-0.00363 K(o=-0.0036,f=-1) USER MOD Single : A 636 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 637 SER OG : rot 180:sc= 0 USER MOD Single : A 640 SER OG : rot 180:sc= 0 USER MOD Single : A 641 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 529 10.697 34.844 -14.429 1.00 0.00 N ATOM 2 CA GLY A 529 10.721 33.523 -13.827 1.00 0.00 C ATOM 3 C GLY A 529 11.608 33.462 -12.600 1.00 0.00 C ATOM 4 O GLY A 529 12.154 34.477 -12.168 1.00 0.00 O ATOM 0 HA2 GLY A 529 9.707 33.233 -13.553 1.00 0.00 H new ATOM 0 HA3 GLY A 529 11.072 32.798 -14.562 1.00 0.00 H new ATOM 8 N SER A 530 11.752 32.267 -12.035 1.00 0.00 N ATOM 9 CA SER A 530 12.575 32.077 -10.847 1.00 0.00 C ATOM 10 C SER A 530 13.647 31.019 -11.091 1.00 0.00 C ATOM 11 O SER A 530 13.405 30.019 -11.767 1.00 0.00 O ATOM 12 CB SER A 530 11.704 31.671 -9.656 1.00 0.00 C ATOM 13 OG SER A 530 12.381 31.889 -8.431 1.00 0.00 O ATOM 0 H SER A 530 11.309 31.416 -12.381 1.00 0.00 H new ATOM 0 HA SER A 530 13.067 33.023 -10.622 1.00 0.00 H new ATOM 0 HB2 SER A 530 10.776 32.242 -9.669 1.00 0.00 H new ATOM 0 HB3 SER A 530 11.432 30.619 -9.742 1.00 0.00 H new ATOM 0 HG SER A 530 11.803 31.623 -7.686 1.00 0.00 H new ATOM 19 N SER A 531 14.832 31.247 -10.535 1.00 0.00 N ATOM 20 CA SER A 531 15.943 30.317 -10.694 1.00 0.00 C ATOM 21 C SER A 531 15.841 29.171 -9.693 1.00 0.00 C ATOM 22 O SER A 531 15.981 28.002 -10.051 1.00 0.00 O ATOM 23 CB SER A 531 17.276 31.045 -10.519 1.00 0.00 C ATOM 24 OG SER A 531 18.353 30.128 -10.436 1.00 0.00 O ATOM 0 H SER A 531 15.047 32.068 -9.970 1.00 0.00 H new ATOM 0 HA SER A 531 15.894 29.902 -11.701 1.00 0.00 H new ATOM 0 HB2 SER A 531 17.436 31.723 -11.357 1.00 0.00 H new ATOM 0 HB3 SER A 531 17.244 31.656 -9.617 1.00 0.00 H new ATOM 0 HG SER A 531 19.194 30.620 -10.326 1.00 0.00 H new ATOM 30 N GLY A 532 15.595 29.516 -8.432 1.00 0.00 N ATOM 31 CA GLY A 532 15.479 28.507 -7.396 1.00 0.00 C ATOM 32 C GLY A 532 16.366 28.796 -6.202 1.00 0.00 C ATOM 33 O GLY A 532 17.592 28.736 -6.302 1.00 0.00 O ATOM 0 H GLY A 532 15.474 30.476 -8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 532 14.442 28.446 -7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 532 15.740 27.533 -7.811 1.00 0.00 H new ATOM 37 N SER A 533 15.748 29.112 -5.068 1.00 0.00 N ATOM 38 CA SER A 533 16.491 29.417 -3.852 1.00 0.00 C ATOM 39 C SER A 533 17.367 28.237 -3.439 1.00 0.00 C ATOM 40 O SER A 533 16.890 27.278 -2.834 1.00 0.00 O ATOM 41 CB SER A 533 15.529 29.773 -2.717 1.00 0.00 C ATOM 42 OG SER A 533 14.777 30.933 -3.030 1.00 0.00 O ATOM 0 H SER A 533 14.734 29.163 -4.967 1.00 0.00 H new ATOM 0 HA SER A 533 17.135 30.272 -4.055 1.00 0.00 H new ATOM 0 HB2 SER A 533 14.854 28.937 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 533 16.091 29.937 -1.798 1.00 0.00 H new ATOM 0 HG SER A 533 14.169 31.138 -2.290 1.00 0.00 H new ATOM 48 N SER A 534 18.651 28.318 -3.772 1.00 0.00 N ATOM 49 CA SER A 534 19.594 27.256 -3.441 1.00 0.00 C ATOM 50 C SER A 534 19.837 27.196 -1.936 1.00 0.00 C ATOM 51 O SER A 534 19.817 28.217 -1.251 1.00 0.00 O ATOM 52 CB SER A 534 20.919 27.474 -4.176 1.00 0.00 C ATOM 53 OG SER A 534 20.868 26.941 -5.487 1.00 0.00 O ATOM 0 H SER A 534 19.062 29.107 -4.270 1.00 0.00 H new ATOM 0 HA SER A 534 19.162 26.307 -3.760 1.00 0.00 H new ATOM 0 HB2 SER A 534 21.142 28.540 -4.222 1.00 0.00 H new ATOM 0 HB3 SER A 534 21.729 27.003 -3.620 1.00 0.00 H new ATOM 0 HG SER A 534 21.725 27.094 -5.936 1.00 0.00 H new ATOM 59 N GLY A 535 20.068 25.988 -1.428 1.00 0.00 N ATOM 60 CA GLY A 535 20.313 25.815 -0.008 1.00 0.00 C ATOM 61 C GLY A 535 19.385 24.794 0.619 1.00 0.00 C ATOM 62 O GLY A 535 19.815 23.701 0.989 1.00 0.00 O ATOM 0 H GLY A 535 20.090 25.127 -1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 535 21.347 25.504 0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 535 20.190 26.772 0.498 1.00 0.00 H new ATOM 66 N GLU A 536 18.110 25.149 0.740 1.00 0.00 N ATOM 67 CA GLU A 536 17.121 24.255 1.331 1.00 0.00 C ATOM 68 C GLU A 536 16.007 23.944 0.336 1.00 0.00 C ATOM 69 O GLU A 536 15.571 24.813 -0.417 1.00 0.00 O ATOM 70 CB GLU A 536 16.530 24.877 2.597 1.00 0.00 C ATOM 71 CG GLU A 536 15.787 26.179 2.347 1.00 0.00 C ATOM 72 CD GLU A 536 15.543 26.966 3.619 1.00 0.00 C ATOM 73 OE1 GLU A 536 16.532 27.333 4.287 1.00 0.00 O ATOM 74 OE2 GLU A 536 14.365 27.214 3.947 1.00 0.00 O ATOM 0 H GLU A 536 17.738 26.049 0.437 1.00 0.00 H new ATOM 0 HA GLU A 536 17.622 23.323 1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 536 15.848 24.162 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 536 17.333 25.058 3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 536 16.359 26.791 1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 536 14.831 25.962 1.870 1.00 0.00 H new ATOM 81 N GLY A 537 15.551 22.694 0.338 1.00 0.00 N ATOM 82 CA GLY A 537 14.492 22.289 -0.568 1.00 0.00 C ATOM 83 C GLY A 537 13.133 22.268 0.101 1.00 0.00 C ATOM 84 O GLY A 537 13.012 22.576 1.286 1.00 0.00 O ATOM 0 H GLY A 537 15.896 21.955 0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 537 14.465 22.971 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 537 14.715 21.297 -0.962 1.00 0.00 H new ATOM 88 N ASP A 538 12.106 21.903 -0.660 1.00 0.00 N ATOM 89 CA ASP A 538 10.748 21.843 -0.134 1.00 0.00 C ATOM 90 C ASP A 538 10.157 20.447 -0.313 1.00 0.00 C ATOM 91 O ASP A 538 10.313 19.826 -1.365 1.00 0.00 O ATOM 92 CB ASP A 538 9.863 22.878 -0.829 1.00 0.00 C ATOM 93 CG ASP A 538 9.489 22.466 -2.239 1.00 0.00 C ATOM 94 OD1 ASP A 538 10.339 21.863 -2.927 1.00 0.00 O ATOM 95 OD2 ASP A 538 8.346 22.748 -2.658 1.00 0.00 O ATOM 0 H ASP A 538 12.189 21.644 -1.643 1.00 0.00 H new ATOM 0 HA ASP A 538 10.787 22.067 0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 538 8.955 23.027 -0.244 1.00 0.00 H new ATOM 0 HB3 ASP A 538 10.383 23.835 -0.859 1.00 0.00 H new ATOM 100 N VAL A 539 9.481 19.960 0.722 1.00 0.00 N ATOM 101 CA VAL A 539 8.867 18.637 0.679 1.00 0.00 C ATOM 102 C VAL A 539 7.488 18.692 0.030 1.00 0.00 C ATOM 103 O VAL A 539 6.557 18.020 0.471 1.00 0.00 O ATOM 104 CB VAL A 539 8.735 18.034 2.090 1.00 0.00 C ATOM 105 CG1 VAL A 539 10.104 17.879 2.735 1.00 0.00 C ATOM 106 CG2 VAL A 539 7.824 18.893 2.953 1.00 0.00 C ATOM 0 H VAL A 539 9.344 20.461 1.600 1.00 0.00 H new ATOM 0 HA VAL A 539 9.522 18.003 0.081 1.00 0.00 H new ATOM 0 HB VAL A 539 8.287 17.044 2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 539 9.991 17.452 3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 539 10.721 17.219 2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 539 10.583 18.855 2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 539 7.742 18.452 3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 539 8.241 19.897 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 539 6.835 18.947 2.497 1.00 0.00 H new ATOM 116 N ASN A 540 7.365 19.499 -1.019 1.00 0.00 N ATOM 117 CA ASN A 540 6.100 19.642 -1.728 1.00 0.00 C ATOM 118 C ASN A 540 5.374 18.303 -1.823 1.00 0.00 C ATOM 119 O ASN A 540 5.994 17.243 -1.734 1.00 0.00 O ATOM 120 CB ASN A 540 6.338 20.207 -3.130 1.00 0.00 C ATOM 121 CG ASN A 540 7.355 19.399 -3.914 1.00 0.00 C ATOM 122 OD1 ASN A 540 7.367 18.169 -3.854 1.00 0.00 O ATOM 123 ND2 ASN A 540 8.216 20.089 -4.653 1.00 0.00 N ATOM 0 H ASN A 540 8.126 20.063 -1.396 1.00 0.00 H new ATOM 0 HA ASN A 540 5.474 20.335 -1.166 1.00 0.00 H new ATOM 0 HB2 ASN A 540 5.395 20.227 -3.676 1.00 0.00 H new ATOM 0 HB3 ASN A 540 6.681 21.238 -3.050 1.00 0.00 H new ATOM 0 HD21 ASN A 540 8.924 19.600 -5.201 1.00 0.00 H new ATOM 0 HD22 ASN A 540 8.169 21.108 -4.673 1.00 0.00 H new ATOM 130 N SER A 541 4.059 18.361 -2.005 1.00 0.00 N ATOM 131 CA SER A 541 3.249 17.152 -2.110 1.00 0.00 C ATOM 132 C SER A 541 3.976 16.078 -2.912 1.00 0.00 C ATOM 133 O SER A 541 3.982 16.104 -4.142 1.00 0.00 O ATOM 134 CB SER A 541 1.903 17.471 -2.765 1.00 0.00 C ATOM 135 OG SER A 541 2.082 17.988 -4.072 1.00 0.00 O ATOM 0 H SER A 541 3.532 19.231 -2.083 1.00 0.00 H new ATOM 0 HA SER A 541 3.075 16.772 -1.103 1.00 0.00 H new ATOM 0 HB2 SER A 541 1.293 16.569 -2.808 1.00 0.00 H new ATOM 0 HB3 SER A 541 1.361 18.194 -2.156 1.00 0.00 H new ATOM 0 HG SER A 541 2.759 17.459 -4.543 1.00 0.00 H new ATOM 141 N ALA A 542 4.590 15.135 -2.205 1.00 0.00 N ATOM 142 CA ALA A 542 5.319 14.049 -2.849 1.00 0.00 C ATOM 143 C ALA A 542 4.692 12.697 -2.524 1.00 0.00 C ATOM 144 O ALA A 542 4.383 12.407 -1.368 1.00 0.00 O ATOM 145 CB ALA A 542 6.781 14.072 -2.427 1.00 0.00 C ATOM 0 H ALA A 542 4.597 15.101 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 542 5.262 14.195 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 542 7.314 13.256 -2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 542 7.229 15.022 -2.718 1.00 0.00 H new ATOM 0 HB3 ALA A 542 6.849 13.954 -1.346 1.00 0.00 H new ATOM 151 N LYS A 543 4.509 11.873 -3.549 1.00 0.00 N ATOM 152 CA LYS A 543 3.920 10.551 -3.372 1.00 0.00 C ATOM 153 C LYS A 543 4.982 9.531 -2.979 1.00 0.00 C ATOM 154 O LYS A 543 5.787 9.105 -3.808 1.00 0.00 O ATOM 155 CB LYS A 543 3.221 10.105 -4.659 1.00 0.00 C ATOM 156 CG LYS A 543 1.803 10.634 -4.796 1.00 0.00 C ATOM 157 CD LYS A 543 1.341 10.621 -6.243 1.00 0.00 C ATOM 158 CE LYS A 543 -0.169 10.773 -6.347 1.00 0.00 C ATOM 159 NZ LYS A 543 -0.583 11.293 -7.680 1.00 0.00 N ATOM 0 H LYS A 543 4.760 12.097 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 543 3.185 10.612 -2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.808 10.437 -5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 543 3.198 9.016 -4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 543 1.128 10.028 -4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.754 11.651 -4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 543 1.828 11.429 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 543 1.647 9.688 -6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 543 -0.644 9.808 -6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 543 -0.521 11.449 -5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 -1.619 11.383 -7.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 -0.150 12.225 -7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 -0.270 10.635 -8.422 1.00 0.00 H new ATOM 173 N VAL A 544 4.980 9.139 -1.709 1.00 0.00 N ATOM 174 CA VAL A 544 5.943 8.166 -1.205 1.00 0.00 C ATOM 175 C VAL A 544 5.253 7.089 -0.376 1.00 0.00 C ATOM 176 O VAL A 544 5.796 6.620 0.624 1.00 0.00 O ATOM 177 CB VAL A 544 7.028 8.843 -0.348 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.876 9.777 -1.199 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.398 9.593 0.815 1.00 0.00 C ATOM 0 H VAL A 544 4.321 9.481 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 544 6.413 7.705 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 544 7.679 8.069 0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.637 10.246 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 544 8.358 9.208 -1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 544 7.241 10.547 -1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 544 7.180 10.065 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.722 10.357 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.840 8.895 1.439 1.00 0.00 H new ATOM 189 N CYS A 545 4.055 6.702 -0.799 1.00 0.00 N ATOM 190 CA CYS A 545 3.289 5.679 -0.095 1.00 0.00 C ATOM 191 C CYS A 545 2.368 4.932 -1.053 1.00 0.00 C ATOM 192 O CYS A 545 1.735 5.537 -1.919 1.00 0.00 O ATOM 193 CB CYS A 545 2.470 6.311 1.031 1.00 0.00 C ATOM 194 SG CYS A 545 3.444 6.778 2.481 1.00 0.00 S ATOM 0 H CYS A 545 3.593 7.081 -1.626 1.00 0.00 H new ATOM 0 HA CYS A 545 3.992 4.965 0.333 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.965 7.197 0.645 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.694 5.610 1.339 1.00 0.00 H new ATOM 0 HG CYS A 545 4.705 6.810 2.165 1.00 0.00 H new ATOM 200 N ALA A 546 2.300 3.615 -0.894 1.00 0.00 N ATOM 201 CA ALA A 546 1.455 2.786 -1.746 1.00 0.00 C ATOM 202 C ALA A 546 0.513 1.924 -0.913 1.00 0.00 C ATOM 203 O ALA A 546 0.932 1.279 0.050 1.00 0.00 O ATOM 204 CB ALA A 546 2.313 1.912 -2.648 1.00 0.00 C ATOM 0 H ALA A 546 2.819 3.099 -0.184 1.00 0.00 H new ATOM 0 HA ALA A 546 0.848 3.446 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.670 1.298 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.941 2.544 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.944 1.267 -2.036 1.00 0.00 H new ATOM 210 N HIS A 547 -0.763 1.917 -1.287 1.00 0.00 N ATOM 211 CA HIS A 547 -1.765 1.134 -0.573 1.00 0.00 C ATOM 212 C HIS A 547 -2.154 -0.107 -1.370 1.00 0.00 C ATOM 213 O HIS A 547 -2.373 -0.035 -2.580 1.00 0.00 O ATOM 214 CB HIS A 547 -3.004 1.985 -0.295 1.00 0.00 C ATOM 215 CG HIS A 547 -4.030 1.292 0.549 1.00 0.00 C ATOM 216 ND1 HIS A 547 -3.890 0.456 1.604 1.00 0.00 N flip ATOM 217 CD2 HIS A 547 -5.387 1.422 0.341 1.00 0.00 C flip ATOM 218 CE1 HIS A 547 -5.152 0.102 2.013 1.00 0.00 C flip ATOM 219 NE2 HIS A 547 -6.038 0.698 1.235 1.00 0.00 N flip ATOM 0 H HIS A 547 -1.127 2.445 -2.080 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.333 0.814 0.375 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -2.698 2.906 0.202 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.459 2.271 -1.244 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -5.846 2.021 -0.431 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -5.383 -0.557 2.837 1.00 0.00 H new ATOM 0 HE2 HIS A 547 -7.052 0.614 1.311 1.00 0.00 H new ATOM 227 N ILE A 548 -2.237 -1.242 -0.685 1.00 0.00 N ATOM 228 CA ILE A 548 -2.599 -2.498 -1.330 1.00 0.00 C ATOM 229 C ILE A 548 -3.961 -2.989 -0.851 1.00 0.00 C ATOM 230 O ILE A 548 -4.225 -3.049 0.351 1.00 0.00 O ATOM 231 CB ILE A 548 -1.549 -3.592 -1.063 1.00 0.00 C ATOM 232 CG1 ILE A 548 -0.147 -3.073 -1.386 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.861 -4.837 -1.879 1.00 0.00 C ATOM 234 CD1 ILE A 548 0.962 -3.931 -0.816 1.00 0.00 C ATOM 0 H ILE A 548 -2.059 -1.318 0.316 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.642 -2.301 -2.401 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.583 -3.857 -0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 548 -0.030 -3.015 -2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 548 -0.046 -2.059 -0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -1.110 -5.601 -1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.845 -5.215 -1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.852 -4.588 -2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 548 1.928 -3.503 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 548 0.871 -3.969 0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 548 0.887 -4.940 -1.222 1.00 0.00 H new ATOM 246 N THR A 549 -4.824 -3.341 -1.799 1.00 0.00 N ATOM 247 CA THR A 549 -6.160 -3.827 -1.475 1.00 0.00 C ATOM 248 C THR A 549 -6.495 -5.083 -2.271 1.00 0.00 C ATOM 249 O THR A 549 -5.686 -5.559 -3.066 1.00 0.00 O ATOM 250 CB THR A 549 -7.231 -2.755 -1.753 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.198 -2.375 -3.133 1.00 0.00 O ATOM 252 CG2 THR A 549 -7.009 -1.530 -0.879 1.00 0.00 C ATOM 0 H THR A 549 -4.622 -3.299 -2.798 1.00 0.00 H new ATOM 0 HA THR A 549 -6.162 -4.063 -0.411 1.00 0.00 H new ATOM 0 HB THR A 549 -8.207 -3.179 -1.517 1.00 0.00 H new ATOM 0 HG1 THR A 549 -7.883 -1.695 -3.301 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.777 -0.787 -1.093 1.00 0.00 H new ATOM 0 HG22 THR A 549 -7.064 -1.817 0.171 1.00 0.00 H new ATOM 0 HG23 THR A 549 -6.026 -1.107 -1.088 1.00 0.00 H new ATOM 260 N ASN A 550 -7.694 -5.614 -2.052 1.00 0.00 N ATOM 261 CA ASN A 550 -8.136 -6.816 -2.750 1.00 0.00 C ATOM 262 C ASN A 550 -7.211 -7.991 -2.450 1.00 0.00 C ATOM 263 O ASN A 550 -7.095 -8.922 -3.247 1.00 0.00 O ATOM 264 CB ASN A 550 -8.188 -6.565 -4.258 1.00 0.00 C ATOM 265 CG ASN A 550 -8.848 -7.703 -5.011 1.00 0.00 C ATOM 266 OD1 ASN A 550 -9.178 -8.738 -4.431 1.00 0.00 O ATOM 267 ND2 ASN A 550 -9.044 -7.518 -6.311 1.00 0.00 N ATOM 0 H ASN A 550 -8.376 -5.231 -1.397 1.00 0.00 H new ATOM 0 HA ASN A 550 -9.136 -7.065 -2.395 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.733 -5.641 -4.451 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -7.175 -6.423 -4.635 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -9.484 -8.249 -6.870 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -8.755 -6.644 -6.751 1.00 0.00 H new ATOM 274 N ILE A 551 -6.556 -7.941 -1.295 1.00 0.00 N ATOM 275 CA ILE A 551 -5.643 -9.002 -0.889 1.00 0.00 C ATOM 276 C ILE A 551 -6.289 -9.919 0.145 1.00 0.00 C ATOM 277 O ILE A 551 -7.193 -9.523 0.882 1.00 0.00 O ATOM 278 CB ILE A 551 -4.337 -8.429 -0.306 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.649 -7.379 0.763 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.482 -7.830 -1.411 1.00 0.00 C ATOM 281 CD1 ILE A 551 -3.467 -7.050 1.648 1.00 0.00 C ATOM 0 H ILE A 551 -6.641 -7.177 -0.624 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.410 -9.577 -1.785 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.777 -9.240 0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -4.993 -6.467 0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -5.470 -7.737 1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.563 -7.429 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -3.236 -8.602 -2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -4.033 -7.028 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.760 -6.299 2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -3.136 -7.952 2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.652 -6.661 1.037 1.00 0.00 H new ATOM 293 N PRO A 552 -5.815 -11.172 0.203 1.00 0.00 N ATOM 294 CA PRO A 552 -6.331 -12.170 1.145 1.00 0.00 C ATOM 295 C PRO A 552 -5.868 -11.912 2.574 1.00 0.00 C ATOM 296 O PRO A 552 -4.697 -11.620 2.814 1.00 0.00 O ATOM 297 CB PRO A 552 -5.747 -13.486 0.622 1.00 0.00 C ATOM 298 CG PRO A 552 -4.492 -13.091 -0.077 1.00 0.00 C ATOM 299 CD PRO A 552 -4.740 -11.712 -0.646 1.00 0.00 C ATOM 0 HA PRO A 552 -7.420 -12.160 1.194 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -5.545 -14.181 1.437 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -6.439 -13.984 -0.057 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.649 -13.081 0.614 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -4.248 -13.800 -0.868 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.844 -11.093 -0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -5.042 -11.759 -1.692 1.00 0.00 H new ATOM 307 N PHE A 553 -6.795 -12.020 3.520 1.00 0.00 N ATOM 308 CA PHE A 553 -6.481 -11.798 4.927 1.00 0.00 C ATOM 309 C PHE A 553 -5.929 -13.068 5.568 1.00 0.00 C ATOM 310 O PHE A 553 -6.098 -13.296 6.766 1.00 0.00 O ATOM 311 CB PHE A 553 -7.728 -11.333 5.682 1.00 0.00 C ATOM 312 CG PHE A 553 -8.932 -12.201 5.445 1.00 0.00 C ATOM 313 CD1 PHE A 553 -9.114 -13.368 6.170 1.00 0.00 C ATOM 314 CD2 PHE A 553 -9.878 -11.852 4.495 1.00 0.00 C ATOM 315 CE1 PHE A 553 -10.220 -14.169 5.954 1.00 0.00 C ATOM 316 CE2 PHE A 553 -10.986 -12.649 4.275 1.00 0.00 C ATOM 317 CZ PHE A 553 -11.157 -13.809 5.005 1.00 0.00 C ATOM 0 H PHE A 553 -7.770 -12.260 3.338 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.718 -11.021 4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -7.510 -11.312 6.750 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -7.963 -10.311 5.385 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -8.384 -13.655 6.912 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -9.748 -10.947 3.920 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -10.351 -15.075 6.527 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -11.717 -12.365 3.533 1.00 0.00 H new ATOM 0 HZ PHE A 553 -12.022 -14.433 4.834 1.00 0.00 H new ATOM 327 N SER A 554 -5.265 -13.890 4.762 1.00 0.00 N ATOM 328 CA SER A 554 -4.691 -15.139 5.248 1.00 0.00 C ATOM 329 C SER A 554 -3.169 -15.056 5.290 1.00 0.00 C ATOM 330 O SER A 554 -2.514 -15.804 6.018 1.00 0.00 O ATOM 331 CB SER A 554 -5.126 -16.306 4.359 1.00 0.00 C ATOM 332 OG SER A 554 -4.621 -16.158 3.042 1.00 0.00 O ATOM 0 H SER A 554 -5.111 -13.713 3.769 1.00 0.00 H new ATOM 0 HA SER A 554 -5.057 -15.309 6.261 1.00 0.00 H new ATOM 0 HB2 SER A 554 -4.771 -17.244 4.785 1.00 0.00 H new ATOM 0 HB3 SER A 554 -6.214 -16.360 4.331 1.00 0.00 H new ATOM 0 HG SER A 554 -4.911 -16.917 2.493 1.00 0.00 H new ATOM 338 N ILE A 555 -2.610 -14.141 4.504 1.00 0.00 N ATOM 339 CA ILE A 555 -1.165 -13.959 4.452 1.00 0.00 C ATOM 340 C ILE A 555 -0.680 -13.074 5.596 1.00 0.00 C ATOM 341 O ILE A 555 -1.473 -12.390 6.245 1.00 0.00 O ATOM 342 CB ILE A 555 -0.724 -13.337 3.114 1.00 0.00 C ATOM 343 CG1 ILE A 555 -1.241 -11.901 3.000 1.00 0.00 C ATOM 344 CG2 ILE A 555 -1.221 -14.179 1.948 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.636 -11.131 1.846 1.00 0.00 C ATOM 0 H ILE A 555 -3.136 -13.515 3.895 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.719 -14.949 4.548 1.00 0.00 H new ATOM 0 HB ILE A 555 0.365 -13.315 3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.325 -11.922 2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -1.030 -11.372 3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.901 -13.726 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -0.809 -15.185 2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.310 -14.230 1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -1.048 -10.122 1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.446 -11.079 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.869 -11.637 0.909 1.00 0.00 H new ATOM 357 N THR A 556 0.627 -13.089 5.836 1.00 0.00 N ATOM 358 CA THR A 556 1.218 -12.288 6.900 1.00 0.00 C ATOM 359 C THR A 556 2.186 -11.253 6.337 1.00 0.00 C ATOM 360 O THR A 556 2.521 -11.282 5.152 1.00 0.00 O ATOM 361 CB THR A 556 1.964 -13.170 7.919 1.00 0.00 C ATOM 362 OG1 THR A 556 3.034 -13.868 7.272 1.00 0.00 O ATOM 363 CG2 THR A 556 1.017 -14.170 8.565 1.00 0.00 C ATOM 0 H THR A 556 1.297 -13.648 5.307 1.00 0.00 H new ATOM 0 HA THR A 556 0.397 -11.778 7.404 1.00 0.00 H new ATOM 0 HB THR A 556 2.370 -12.524 8.697 1.00 0.00 H new ATOM 0 HG1 THR A 556 3.504 -14.425 7.927 1.00 0.00 H new ATOM 0 HG21 THR A 556 1.566 -14.782 9.281 1.00 0.00 H new ATOM 0 HG22 THR A 556 0.220 -13.635 9.081 1.00 0.00 H new ATOM 0 HG23 THR A 556 0.585 -14.811 7.796 1.00 0.00 H new ATOM 371 N LYS A 557 2.630 -10.339 7.193 1.00 0.00 N ATOM 372 CA LYS A 557 3.561 -9.295 6.781 1.00 0.00 C ATOM 373 C LYS A 557 4.631 -9.856 5.850 1.00 0.00 C ATOM 374 O LYS A 557 4.901 -9.293 4.789 1.00 0.00 O ATOM 375 CB LYS A 557 4.220 -8.659 8.008 1.00 0.00 C ATOM 376 CG LYS A 557 4.666 -7.224 7.782 1.00 0.00 C ATOM 377 CD LYS A 557 5.688 -6.789 8.820 1.00 0.00 C ATOM 378 CE LYS A 557 5.634 -5.287 9.059 1.00 0.00 C ATOM 379 NZ LYS A 557 4.482 -4.903 9.921 1.00 0.00 N ATOM 0 H LYS A 557 2.360 -10.300 8.176 1.00 0.00 H new ATOM 0 HA LYS A 557 2.999 -8.533 6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.519 -8.686 8.842 1.00 0.00 H new ATOM 0 HB3 LYS A 557 5.083 -9.258 8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 557 5.095 -7.128 6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 557 3.801 -6.562 7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 557 5.503 -7.315 9.757 1.00 0.00 H new ATOM 0 HD3 LYS A 557 6.688 -7.070 8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 557 6.563 -4.960 9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 557 5.560 -4.770 8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 4.037 -4.043 9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 3.786 -5.676 9.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 4.818 -4.722 10.889 1.00 0.00 H new ATOM 393 N MET A 558 5.236 -10.969 6.253 1.00 0.00 N ATOM 394 CA MET A 558 6.274 -11.606 5.451 1.00 0.00 C ATOM 395 C MET A 558 5.835 -11.738 3.997 1.00 0.00 C ATOM 396 O MET A 558 6.549 -11.326 3.083 1.00 0.00 O ATOM 397 CB MET A 558 6.613 -12.986 6.022 1.00 0.00 C ATOM 398 CG MET A 558 7.641 -12.945 7.141 1.00 0.00 C ATOM 399 SD MET A 558 7.135 -11.885 8.509 1.00 0.00 S ATOM 400 CE MET A 558 8.720 -11.239 9.039 1.00 0.00 C ATOM 0 H MET A 558 5.026 -11.448 7.129 1.00 0.00 H new ATOM 0 HA MET A 558 7.163 -10.977 5.486 1.00 0.00 H new ATOM 0 HB2 MET A 558 5.700 -13.450 6.395 1.00 0.00 H new ATOM 0 HB3 MET A 558 6.988 -13.620 5.219 1.00 0.00 H new ATOM 0 HG2 MET A 558 7.809 -13.956 7.512 1.00 0.00 H new ATOM 0 HG3 MET A 558 8.592 -12.590 6.743 1.00 0.00 H new ATOM 0 HE1 MET A 558 8.574 -10.564 9.882 1.00 0.00 H new ATOM 0 HE2 MET A 558 9.366 -12.063 9.342 1.00 0.00 H new ATOM 0 HE3 MET A 558 9.185 -10.697 8.216 1.00 0.00 H new ATOM 410 N ASP A 559 4.656 -12.315 3.790 1.00 0.00 N ATOM 411 CA ASP A 559 4.122 -12.501 2.446 1.00 0.00 C ATOM 412 C ASP A 559 4.181 -11.200 1.653 1.00 0.00 C ATOM 413 O ASP A 559 4.823 -11.127 0.606 1.00 0.00 O ATOM 414 CB ASP A 559 2.680 -13.007 2.513 1.00 0.00 C ATOM 415 CG ASP A 559 2.593 -14.448 2.977 1.00 0.00 C ATOM 416 OD1 ASP A 559 3.321 -14.811 3.925 1.00 0.00 O ATOM 417 OD2 ASP A 559 1.797 -15.212 2.392 1.00 0.00 O ATOM 0 H ASP A 559 4.052 -12.662 4.536 1.00 0.00 H new ATOM 0 HA ASP A 559 4.736 -13.244 1.937 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.107 -12.375 3.191 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.220 -12.917 1.529 1.00 0.00 H new ATOM 422 N VAL A 560 3.505 -10.173 2.160 1.00 0.00 N ATOM 423 CA VAL A 560 3.480 -8.873 1.499 1.00 0.00 C ATOM 424 C VAL A 560 4.875 -8.461 1.045 1.00 0.00 C ATOM 425 O VAL A 560 5.089 -8.133 -0.124 1.00 0.00 O ATOM 426 CB VAL A 560 2.911 -7.784 2.426 1.00 0.00 C ATOM 427 CG1 VAL A 560 2.981 -6.420 1.755 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.481 -8.117 2.825 1.00 0.00 C ATOM 0 H VAL A 560 2.968 -10.216 3.026 1.00 0.00 H new ATOM 0 HA VAL A 560 2.833 -8.973 0.628 1.00 0.00 H new ATOM 0 HB VAL A 560 3.518 -7.749 3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.574 -5.663 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 560 4.019 -6.181 1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.400 -6.438 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 560 1.095 -7.336 3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 560 0.860 -8.181 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.463 -9.073 3.349 1.00 0.00 H new ATOM 438 N LEU A 561 5.824 -8.479 1.975 1.00 0.00 N ATOM 439 CA LEU A 561 7.201 -8.107 1.672 1.00 0.00 C ATOM 440 C LEU A 561 7.731 -8.905 0.485 1.00 0.00 C ATOM 441 O LEU A 561 8.476 -8.383 -0.344 1.00 0.00 O ATOM 442 CB LEU A 561 8.093 -8.334 2.893 1.00 0.00 C ATOM 443 CG LEU A 561 7.733 -7.535 4.146 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.599 -7.962 5.319 1.00 0.00 C ATOM 445 CD2 LEU A 561 7.878 -6.042 3.887 1.00 0.00 C ATOM 0 H LEU A 561 5.664 -8.748 2.946 1.00 0.00 H new ATOM 0 HA LEU A 561 7.216 -7.049 1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.069 -9.395 3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.120 -8.095 2.617 1.00 0.00 H new ATOM 0 HG LEU A 561 6.692 -7.740 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.328 -7.382 6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.443 -9.022 5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.648 -7.788 5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 561 7.618 -5.489 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 561 8.908 -5.819 3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 561 7.212 -5.747 3.076 1.00 0.00 H new ATOM 457 N GLN A 562 7.340 -10.174 0.409 1.00 0.00 N ATOM 458 CA GLN A 562 7.775 -11.043 -0.678 1.00 0.00 C ATOM 459 C GLN A 562 7.134 -10.627 -1.997 1.00 0.00 C ATOM 460 O GLN A 562 7.611 -10.991 -3.072 1.00 0.00 O ATOM 461 CB GLN A 562 7.428 -12.499 -0.364 1.00 0.00 C ATOM 462 CG GLN A 562 8.398 -13.500 -0.969 1.00 0.00 C ATOM 463 CD GLN A 562 9.847 -13.101 -0.773 1.00 0.00 C ATOM 464 OE1 GLN A 562 10.288 -12.853 0.350 1.00 0.00 O ATOM 465 NE2 GLN A 562 10.598 -13.037 -1.867 1.00 0.00 N ATOM 0 H GLN A 562 6.723 -10.622 1.087 1.00 0.00 H new ATOM 0 HA GLN A 562 8.856 -10.948 -0.776 1.00 0.00 H new ATOM 0 HB2 GLN A 562 7.408 -12.634 0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.424 -12.712 -0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 562 8.231 -14.479 -0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 562 8.194 -13.599 -2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 562 10.192 -13.251 -2.778 1.00 0.00 H new ATOM 0 HE22 GLN A 562 11.581 -12.774 -1.796 1.00 0.00 H new ATOM 474 N PHE A 563 6.049 -9.865 -1.909 1.00 0.00 N ATOM 475 CA PHE A 563 5.341 -9.401 -3.096 1.00 0.00 C ATOM 476 C PHE A 563 5.909 -8.072 -3.583 1.00 0.00 C ATOM 477 O PHE A 563 5.775 -7.718 -4.756 1.00 0.00 O ATOM 478 CB PHE A 563 3.847 -9.252 -2.798 1.00 0.00 C ATOM 479 CG PHE A 563 3.101 -8.481 -3.850 1.00 0.00 C ATOM 480 CD1 PHE A 563 3.185 -8.845 -5.184 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.316 -7.394 -3.504 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.500 -8.138 -6.154 1.00 0.00 C ATOM 483 CE2 PHE A 563 1.628 -6.683 -4.469 1.00 0.00 C ATOM 484 CZ PHE A 563 1.721 -7.055 -5.797 1.00 0.00 C ATOM 0 H PHE A 563 5.641 -9.556 -1.027 1.00 0.00 H new ATOM 0 HA PHE A 563 5.476 -10.143 -3.883 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.403 -10.243 -2.701 1.00 0.00 H new ATOM 0 HB3 PHE A 563 3.724 -8.753 -1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 563 3.793 -9.691 -5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 563 2.241 -7.098 -2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 563 2.574 -8.432 -7.191 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.018 -5.838 -4.186 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.186 -6.500 -6.553 1.00 0.00 H new ATOM 494 N LEU A 564 6.544 -7.338 -2.676 1.00 0.00 N ATOM 495 CA LEU A 564 7.134 -6.047 -3.012 1.00 0.00 C ATOM 496 C LEU A 564 8.656 -6.135 -3.046 1.00 0.00 C ATOM 497 O LEU A 564 9.350 -5.160 -2.761 1.00 0.00 O ATOM 498 CB LEU A 564 6.695 -4.986 -2.001 1.00 0.00 C ATOM 499 CG LEU A 564 5.189 -4.753 -1.882 1.00 0.00 C ATOM 500 CD1 LEU A 564 4.857 -4.066 -0.567 1.00 0.00 C ATOM 501 CD2 LEU A 564 4.681 -3.933 -3.058 1.00 0.00 C ATOM 0 H LEU A 564 6.664 -7.615 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 564 6.784 -5.762 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.077 -5.268 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 564 7.168 -4.041 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 564 4.689 -5.721 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 564 3.780 -3.909 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 564 5.184 -4.692 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 564 5.368 -3.104 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 564 3.607 -3.777 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 564 5.188 -2.968 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 564 4.884 -4.465 -3.987 1.00 0.00 H new ATOM 513 N GLU A 565 9.168 -7.310 -3.399 1.00 0.00 N ATOM 514 CA GLU A 565 10.608 -7.524 -3.472 1.00 0.00 C ATOM 515 C GLU A 565 11.219 -6.728 -4.621 1.00 0.00 C ATOM 516 O GLU A 565 10.708 -6.740 -5.740 1.00 0.00 O ATOM 517 CB GLU A 565 10.917 -9.013 -3.648 1.00 0.00 C ATOM 518 CG GLU A 565 12.332 -9.393 -3.244 1.00 0.00 C ATOM 519 CD GLU A 565 13.382 -8.545 -3.933 1.00 0.00 C ATOM 520 OE1 GLU A 565 13.483 -8.616 -5.176 1.00 0.00 O ATOM 521 OE2 GLU A 565 14.105 -7.809 -3.229 1.00 0.00 O ATOM 0 H GLU A 565 8.607 -8.128 -3.639 1.00 0.00 H new ATOM 0 HA GLU A 565 11.048 -7.177 -2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 565 10.211 -9.595 -3.056 1.00 0.00 H new ATOM 0 HB3 GLU A 565 10.760 -9.287 -4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 565 12.438 -9.289 -2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 565 12.504 -10.443 -3.482 1.00 0.00 H new ATOM 528 N GLY A 566 12.318 -6.036 -4.335 1.00 0.00 N ATOM 529 CA GLY A 566 12.981 -5.242 -5.354 1.00 0.00 C ATOM 530 C GLY A 566 12.953 -3.759 -5.042 1.00 0.00 C ATOM 531 O GLY A 566 13.776 -2.995 -5.548 1.00 0.00 O ATOM 0 H GLY A 566 12.761 -6.011 -3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 566 14.016 -5.571 -5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.500 -5.417 -6.317 1.00 0.00 H new ATOM 535 N ILE A 567 12.001 -3.349 -4.211 1.00 0.00 N ATOM 536 CA ILE A 567 11.869 -1.946 -3.834 1.00 0.00 C ATOM 537 C ILE A 567 12.494 -1.682 -2.469 1.00 0.00 C ATOM 538 O ILE A 567 11.953 -2.054 -1.428 1.00 0.00 O ATOM 539 CB ILE A 567 10.393 -1.508 -3.803 1.00 0.00 C ATOM 540 CG1 ILE A 567 9.721 -1.809 -5.144 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.286 -0.028 -3.472 1.00 0.00 C ATOM 542 CD1 ILE A 567 8.210 -1.821 -5.074 1.00 0.00 C ATOM 0 H ILE A 567 11.310 -3.967 -3.786 1.00 0.00 H new ATOM 0 HA ILE A 567 12.396 -1.365 -4.591 1.00 0.00 H new ATOM 0 HB ILE A 567 9.879 -2.072 -3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 567 10.037 -1.064 -5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 567 10.068 -2.777 -5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 567 9.237 0.266 -3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 567 10.732 0.160 -2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 567 10.813 0.553 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 567 7.802 -2.041 -6.060 1.00 0.00 H new ATOM 0 HD12 ILE A 567 7.885 -2.585 -4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 567 7.853 -0.846 -4.743 1.00 0.00 H new ATOM 554 N PRO A 568 13.662 -1.023 -2.470 1.00 0.00 N ATOM 555 CA PRO A 568 14.387 -0.692 -1.240 1.00 0.00 C ATOM 556 C PRO A 568 13.467 -0.140 -0.157 1.00 0.00 C ATOM 557 O PRO A 568 13.101 1.036 -0.177 1.00 0.00 O ATOM 558 CB PRO A 568 15.383 0.379 -1.691 1.00 0.00 C ATOM 559 CG PRO A 568 15.628 0.085 -3.131 1.00 0.00 C ATOM 560 CD PRO A 568 14.367 -0.550 -3.675 1.00 0.00 C ATOM 0 HA PRO A 568 14.857 -1.570 -0.796 1.00 0.00 H new ATOM 0 HB2 PRO A 568 14.976 1.381 -1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.306 0.329 -1.114 1.00 0.00 H new ATOM 0 HG2 PRO A 568 15.865 0.999 -3.676 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.479 -0.586 -3.248 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.767 0.168 -4.233 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.594 -1.372 -4.354 1.00 0.00 H new ATOM 568 N VAL A 569 13.095 -0.996 0.790 1.00 0.00 N ATOM 569 CA VAL A 569 12.217 -0.592 1.883 1.00 0.00 C ATOM 570 C VAL A 569 12.405 -1.494 3.099 1.00 0.00 C ATOM 571 O VAL A 569 12.849 -2.635 2.975 1.00 0.00 O ATOM 572 CB VAL A 569 10.738 -0.626 1.457 1.00 0.00 C ATOM 573 CG1 VAL A 569 10.350 -2.017 0.981 1.00 0.00 C ATOM 574 CG2 VAL A 569 9.844 -0.177 2.603 1.00 0.00 C ATOM 0 H VAL A 569 13.387 -1.973 0.823 1.00 0.00 H new ATOM 0 HA VAL A 569 12.488 0.431 2.146 1.00 0.00 H new ATOM 0 HB VAL A 569 10.601 0.066 0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 569 9.301 -2.021 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.969 -2.296 0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 569 10.501 -2.733 1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 569 8.802 -0.207 2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 569 9.983 -0.843 3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 569 10.106 0.841 2.892 1.00 0.00 H new ATOM 584 N ASP A 570 12.063 -0.973 4.272 1.00 0.00 N ATOM 585 CA ASP A 570 12.192 -1.731 5.511 1.00 0.00 C ATOM 586 C ASP A 570 10.907 -2.494 5.818 1.00 0.00 C ATOM 587 O ASP A 570 9.847 -2.187 5.274 1.00 0.00 O ATOM 588 CB ASP A 570 12.535 -0.797 6.672 1.00 0.00 C ATOM 589 CG ASP A 570 13.237 -1.515 7.807 1.00 0.00 C ATOM 590 OD1 ASP A 570 12.574 -2.310 8.507 1.00 0.00 O ATOM 591 OD2 ASP A 570 14.449 -1.285 7.996 1.00 0.00 O ATOM 0 H ASP A 570 11.695 -0.029 4.391 1.00 0.00 H new ATOM 0 HA ASP A 570 13.000 -2.452 5.384 1.00 0.00 H new ATOM 0 HB2 ASP A 570 13.171 0.010 6.309 1.00 0.00 H new ATOM 0 HB3 ASP A 570 11.620 -0.338 7.047 1.00 0.00 H new ATOM 596 N GLU A 571 11.010 -3.489 6.694 1.00 0.00 N ATOM 597 CA GLU A 571 9.856 -4.296 7.070 1.00 0.00 C ATOM 598 C GLU A 571 8.767 -3.429 7.698 1.00 0.00 C ATOM 599 O GLU A 571 7.637 -3.389 7.215 1.00 0.00 O ATOM 600 CB GLU A 571 10.273 -5.397 8.048 1.00 0.00 C ATOM 601 CG GLU A 571 11.525 -6.146 7.623 1.00 0.00 C ATOM 602 CD GLU A 571 11.408 -6.736 6.232 1.00 0.00 C ATOM 603 OE1 GLU A 571 11.436 -5.961 5.253 1.00 0.00 O ATOM 604 OE2 GLU A 571 11.288 -7.974 6.121 1.00 0.00 O ATOM 0 H GLU A 571 11.880 -3.755 7.156 1.00 0.00 H new ATOM 0 HA GLU A 571 9.455 -4.755 6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 571 10.440 -4.955 9.030 1.00 0.00 H new ATOM 0 HB3 GLU A 571 9.453 -6.107 8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 571 12.378 -5.468 7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 571 11.726 -6.945 8.337 1.00 0.00 H new ATOM 611 N ASN A 572 9.118 -2.738 8.777 1.00 0.00 N ATOM 612 CA ASN A 572 8.172 -1.872 9.472 1.00 0.00 C ATOM 613 C ASN A 572 7.415 -0.990 8.484 1.00 0.00 C ATOM 614 O ASN A 572 6.214 -0.765 8.630 1.00 0.00 O ATOM 615 CB ASN A 572 8.903 -1.001 10.495 1.00 0.00 C ATOM 616 CG ASN A 572 9.147 -1.728 11.803 1.00 0.00 C ATOM 617 OD1 ASN A 572 9.437 -2.924 11.817 1.00 0.00 O ATOM 618 ND2 ASN A 572 9.033 -1.007 12.912 1.00 0.00 N ATOM 0 H ASN A 572 10.051 -2.761 9.190 1.00 0.00 H new ATOM 0 HA ASN A 572 7.452 -2.505 9.992 1.00 0.00 H new ATOM 0 HB2 ASN A 572 9.857 -0.679 10.078 1.00 0.00 H new ATOM 0 HB3 ASN A 572 8.318 -0.101 10.686 1.00 0.00 H new ATOM 0 HD21 ASN A 572 9.188 -1.442 13.821 1.00 0.00 H new ATOM 0 HD22 ASN A 572 8.791 -0.018 12.855 1.00 0.00 H new ATOM 625 N ALA A 573 8.127 -0.494 7.477 1.00 0.00 N ATOM 626 CA ALA A 573 7.523 0.363 6.464 1.00 0.00 C ATOM 627 C ALA A 573 6.150 -0.159 6.052 1.00 0.00 C ATOM 628 O ALA A 573 5.275 0.611 5.659 1.00 0.00 O ATOM 629 CB ALA A 573 8.434 0.468 5.251 1.00 0.00 C ATOM 0 H ALA A 573 9.122 -0.671 7.341 1.00 0.00 H new ATOM 0 HA ALA A 573 7.392 1.356 6.894 1.00 0.00 H new ATOM 0 HB1 ALA A 573 7.971 1.111 4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.392 0.893 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.593 -0.524 4.829 1.00 0.00 H new ATOM 635 N VAL A 574 5.970 -1.473 6.145 1.00 0.00 N ATOM 636 CA VAL A 574 4.703 -2.098 5.782 1.00 0.00 C ATOM 637 C VAL A 574 3.759 -2.161 6.978 1.00 0.00 C ATOM 638 O VAL A 574 4.144 -2.598 8.063 1.00 0.00 O ATOM 639 CB VAL A 574 4.916 -3.521 5.234 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.579 -4.193 4.957 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.774 -3.486 3.979 1.00 0.00 C ATOM 0 H VAL A 574 6.685 -2.125 6.468 1.00 0.00 H new ATOM 0 HA VAL A 574 4.257 -1.480 5.003 1.00 0.00 H new ATOM 0 HB VAL A 574 5.441 -4.107 5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.750 -5.198 4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 574 3.004 -4.253 5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 574 3.025 -3.611 4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 574 5.914 -4.500 3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.279 -2.884 3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.744 -3.049 4.214 1.00 0.00 H new ATOM 651 N HIS A 575 2.522 -1.722 6.772 1.00 0.00 N ATOM 652 CA HIS A 575 1.522 -1.731 7.833 1.00 0.00 C ATOM 653 C HIS A 575 0.322 -2.589 7.444 1.00 0.00 C ATOM 654 O HIS A 575 -0.532 -2.163 6.666 1.00 0.00 O ATOM 655 CB HIS A 575 1.064 -0.305 8.142 1.00 0.00 C ATOM 656 CG HIS A 575 2.158 0.576 8.665 1.00 0.00 C ATOM 657 ND1 HIS A 575 1.984 1.447 9.719 1.00 0.00 N ATOM 658 CD2 HIS A 575 3.447 0.714 8.273 1.00 0.00 C ATOM 659 CE1 HIS A 575 3.118 2.084 9.952 1.00 0.00 C ATOM 660 NE2 HIS A 575 4.021 1.657 9.088 1.00 0.00 N ATOM 0 H HIS A 575 2.188 -1.356 5.881 1.00 0.00 H new ATOM 0 HA HIS A 575 1.979 -2.161 8.724 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.652 0.140 7.236 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.257 -0.342 8.874 1.00 0.00 H new ATOM 0 HD2 HIS A 575 3.933 0.181 7.469 1.00 0.00 H new ATOM 0 HE1 HIS A 575 3.279 2.827 10.719 1.00 0.00 H new ATOM 0 HE2 HIS A 575 4.988 1.976 9.035 1.00 0.00 H new ATOM 668 N VAL A 576 0.265 -3.800 7.988 1.00 0.00 N ATOM 669 CA VAL A 576 -0.830 -4.718 7.698 1.00 0.00 C ATOM 670 C VAL A 576 -2.006 -4.485 8.638 1.00 0.00 C ATOM 671 O VAL A 576 -1.855 -4.516 9.860 1.00 0.00 O ATOM 672 CB VAL A 576 -0.377 -6.185 7.813 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.547 -7.126 7.568 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.759 -6.470 6.842 1.00 0.00 C ATOM 0 H VAL A 576 0.965 -4.169 8.632 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.145 -4.522 6.673 1.00 0.00 H new ATOM 0 HB VAL A 576 -0.010 -6.355 8.825 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.208 -8.158 7.653 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.326 -6.938 8.307 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -1.947 -6.957 6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 576 1.066 -7.511 6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.422 -6.283 5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.604 -5.820 7.070 1.00 0.00 H new ATOM 684 N LEU A 577 -3.181 -4.252 8.062 1.00 0.00 N ATOM 685 CA LEU A 577 -4.386 -4.014 8.849 1.00 0.00 C ATOM 686 C LEU A 577 -4.854 -5.296 9.530 1.00 0.00 C ATOM 687 O LEU A 577 -4.591 -6.399 9.049 1.00 0.00 O ATOM 688 CB LEU A 577 -5.499 -3.461 7.958 1.00 0.00 C ATOM 689 CG LEU A 577 -5.331 -2.015 7.492 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.270 -1.714 6.335 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.576 -1.052 8.645 1.00 0.00 C ATOM 0 H LEU A 577 -3.324 -4.223 7.053 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.148 -3.281 9.620 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.582 -4.098 7.077 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.442 -3.540 8.498 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.306 -1.882 7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.136 -0.680 6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.047 -2.381 5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.301 -1.864 6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.452 -0.027 8.296 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.590 -1.187 9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.862 -1.252 9.444 1.00 0.00 H new ATOM 703 N VAL A 578 -5.549 -5.144 10.652 1.00 0.00 N ATOM 704 CA VAL A 578 -6.057 -6.290 11.399 1.00 0.00 C ATOM 705 C VAL A 578 -7.360 -5.947 12.113 1.00 0.00 C ATOM 706 O VAL A 578 -7.673 -4.776 12.325 1.00 0.00 O ATOM 707 CB VAL A 578 -5.030 -6.784 12.435 1.00 0.00 C ATOM 708 CG1 VAL A 578 -3.750 -7.232 11.748 1.00 0.00 C ATOM 709 CG2 VAL A 578 -4.742 -5.696 13.459 1.00 0.00 C ATOM 0 H VAL A 578 -5.774 -4.239 11.065 1.00 0.00 H new ATOM 0 HA VAL A 578 -6.242 -7.084 10.675 1.00 0.00 H new ATOM 0 HB VAL A 578 -5.452 -7.642 12.958 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -3.037 -7.577 12.497 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -3.973 -8.045 11.057 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -3.321 -6.395 11.197 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -4.014 -6.062 14.184 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -4.341 -4.818 12.954 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -5.664 -5.428 13.975 1.00 0.00 H new ATOM 719 N ASP A 579 -8.114 -6.977 12.480 1.00 0.00 N ATOM 720 CA ASP A 579 -9.383 -6.785 13.172 1.00 0.00 C ATOM 721 C ASP A 579 -9.346 -7.416 14.561 1.00 0.00 C ATOM 722 O ASP A 579 -8.355 -8.037 14.945 1.00 0.00 O ATOM 723 CB ASP A 579 -10.529 -7.387 12.356 1.00 0.00 C ATOM 724 CG ASP A 579 -11.887 -6.884 12.808 1.00 0.00 C ATOM 725 OD1 ASP A 579 -12.138 -5.668 12.687 1.00 0.00 O ATOM 726 OD2 ASP A 579 -12.697 -7.708 13.282 1.00 0.00 O ATOM 0 H ASP A 579 -7.869 -7.952 12.310 1.00 0.00 H new ATOM 0 HA ASP A 579 -9.549 -5.714 13.283 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -10.387 -7.146 11.303 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -10.500 -8.473 12.441 1.00 0.00 H new ATOM 731 N ASN A 580 -10.431 -7.251 15.311 1.00 0.00 N ATOM 732 CA ASN A 580 -10.520 -7.801 16.657 1.00 0.00 C ATOM 733 C ASN A 580 -10.007 -9.238 16.693 1.00 0.00 C ATOM 734 O ASN A 580 -9.264 -9.619 17.597 1.00 0.00 O ATOM 735 CB ASN A 580 -11.966 -7.753 17.155 1.00 0.00 C ATOM 736 CG ASN A 580 -12.418 -6.343 17.482 1.00 0.00 C ATOM 737 OD1 ASN A 580 -11.878 -5.699 18.382 1.00 0.00 O ATOM 738 ND2 ASN A 580 -13.414 -5.857 16.750 1.00 0.00 N ATOM 0 H ASN A 580 -11.261 -6.740 15.008 1.00 0.00 H new ATOM 0 HA ASN A 580 -9.896 -7.194 17.312 1.00 0.00 H new ATOM 0 HB2 ASN A 580 -12.623 -8.175 16.395 1.00 0.00 H new ATOM 0 HB3 ASN A 580 -12.063 -8.378 18.043 1.00 0.00 H new ATOM 0 HD21 ASN A 580 -13.761 -4.914 16.924 1.00 0.00 H new ATOM 0 HD22 ASN A 580 -13.831 -6.427 16.014 1.00 0.00 H new ATOM 745 N ASN A 581 -10.406 -10.028 15.702 1.00 0.00 N ATOM 746 CA ASN A 581 -9.986 -11.422 15.620 1.00 0.00 C ATOM 747 C ASN A 581 -8.536 -11.527 15.155 1.00 0.00 C ATOM 748 O ASN A 581 -7.859 -12.519 15.420 1.00 0.00 O ATOM 749 CB ASN A 581 -10.897 -12.196 14.664 1.00 0.00 C ATOM 750 CG ASN A 581 -12.364 -12.049 15.018 1.00 0.00 C ATOM 751 OD1 ASN A 581 -12.714 -11.812 16.174 1.00 0.00 O ATOM 752 ND2 ASN A 581 -13.230 -12.190 14.021 1.00 0.00 N ATOM 0 H ASN A 581 -11.019 -9.727 14.945 1.00 0.00 H new ATOM 0 HA ASN A 581 -10.062 -11.857 16.616 1.00 0.00 H new ATOM 0 HB2 ASN A 581 -10.735 -11.843 13.646 1.00 0.00 H new ATOM 0 HB3 ASN A 581 -10.626 -13.251 14.682 1.00 0.00 H new ATOM 0 HD21 ASN A 581 -14.231 -12.102 14.198 1.00 0.00 H new ATOM 0 HD22 ASN A 581 -12.894 -12.386 13.078 1.00 0.00 H new ATOM 759 N GLY A 582 -8.067 -10.495 14.460 1.00 0.00 N ATOM 760 CA GLY A 582 -6.701 -10.490 13.970 1.00 0.00 C ATOM 761 C GLY A 582 -6.614 -10.816 12.493 1.00 0.00 C ATOM 762 O GLY A 582 -5.705 -10.356 11.802 1.00 0.00 O ATOM 0 H GLY A 582 -8.609 -9.663 14.228 1.00 0.00 H new ATOM 0 HA2 GLY A 582 -6.257 -9.511 14.149 1.00 0.00 H new ATOM 0 HA3 GLY A 582 -6.113 -11.214 14.534 1.00 0.00 H new ATOM 766 N GLN A 583 -7.560 -11.613 12.007 1.00 0.00 N ATOM 767 CA GLN A 583 -7.584 -12.003 10.602 1.00 0.00 C ATOM 768 C GLN A 583 -7.344 -10.796 9.699 1.00 0.00 C ATOM 769 O GLN A 583 -6.533 -10.851 8.777 1.00 0.00 O ATOM 770 CB GLN A 583 -8.923 -12.656 10.255 1.00 0.00 C ATOM 771 CG GLN A 583 -9.214 -13.911 11.062 1.00 0.00 C ATOM 772 CD GLN A 583 -10.664 -14.343 10.966 1.00 0.00 C ATOM 773 OE1 GLN A 583 -11.302 -14.187 9.925 1.00 0.00 O ATOM 774 NE2 GLN A 583 -11.191 -14.893 12.054 1.00 0.00 N ATOM 0 H GLN A 583 -8.320 -12.001 12.565 1.00 0.00 H new ATOM 0 HA GLN A 583 -6.783 -12.724 10.437 1.00 0.00 H new ATOM 0 HB2 GLN A 583 -9.723 -11.934 10.419 1.00 0.00 H new ATOM 0 HB3 GLN A 583 -8.932 -12.906 9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 583 -8.574 -14.720 10.711 1.00 0.00 H new ATOM 0 HG3 GLN A 583 -8.960 -13.733 12.107 1.00 0.00 H new ATOM 0 HE21 GLN A 583 -10.625 -15.003 12.895 1.00 0.00 H new ATOM 0 HE22 GLN A 583 -12.162 -15.206 12.048 1.00 0.00 H new ATOM 783 N GLY A 584 -8.058 -9.708 9.973 1.00 0.00 N ATOM 784 CA GLY A 584 -7.910 -8.504 9.177 1.00 0.00 C ATOM 785 C GLY A 584 -8.946 -8.405 8.076 1.00 0.00 C ATOM 786 O GLY A 584 -9.654 -9.373 7.790 1.00 0.00 O ATOM 0 H GLY A 584 -8.736 -9.639 10.732 1.00 0.00 H new ATOM 0 HA2 GLY A 584 -7.989 -7.632 9.826 1.00 0.00 H new ATOM 0 HA3 GLY A 584 -6.913 -8.484 8.736 1.00 0.00 H new ATOM 790 N LEU A 585 -9.041 -7.233 7.457 1.00 0.00 N ATOM 791 CA LEU A 585 -10.001 -7.011 6.382 1.00 0.00 C ATOM 792 C LEU A 585 -9.417 -7.427 5.036 1.00 0.00 C ATOM 793 O LEU A 585 -10.143 -7.857 4.139 1.00 0.00 O ATOM 794 CB LEU A 585 -10.415 -5.539 6.337 1.00 0.00 C ATOM 795 CG LEU A 585 -11.148 -5.011 7.571 1.00 0.00 C ATOM 796 CD1 LEU A 585 -10.864 -3.529 7.767 1.00 0.00 C ATOM 797 CD2 LEU A 585 -12.645 -5.256 7.446 1.00 0.00 C ATOM 0 H LEU A 585 -8.465 -6.422 7.681 1.00 0.00 H new ATOM 0 HA LEU A 585 -10.880 -7.624 6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 585 -9.521 -4.935 6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 585 -11.054 -5.388 5.467 1.00 0.00 H new ATOM 0 HG LEU A 585 -10.783 -5.549 8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 585 -11.394 -3.171 8.650 1.00 0.00 H new ATOM 0 HD12 LEU A 585 -9.793 -3.378 7.901 1.00 0.00 H new ATOM 0 HD13 LEU A 585 -11.202 -2.975 6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 585 -13.151 -4.874 8.333 1.00 0.00 H new ATOM 0 HD22 LEU A 585 -13.025 -4.744 6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 585 -12.832 -6.326 7.354 1.00 0.00 H new ATOM 809 N GLY A 586 -8.101 -7.299 4.902 1.00 0.00 N ATOM 810 CA GLY A 586 -7.441 -7.669 3.663 1.00 0.00 C ATOM 811 C GLY A 586 -6.817 -6.479 2.962 1.00 0.00 C ATOM 812 O GLY A 586 -7.038 -6.267 1.769 1.00 0.00 O ATOM 0 H GLY A 586 -7.479 -6.946 5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 586 -6.669 -8.409 3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -8.163 -8.142 2.997 1.00 0.00 H new ATOM 816 N GLN A 587 -6.035 -5.701 3.703 1.00 0.00 N ATOM 817 CA GLN A 587 -5.379 -4.524 3.144 1.00 0.00 C ATOM 818 C GLN A 587 -4.102 -4.197 3.912 1.00 0.00 C ATOM 819 O GLN A 587 -3.922 -4.632 5.049 1.00 0.00 O ATOM 820 CB GLN A 587 -6.327 -3.323 3.172 1.00 0.00 C ATOM 821 CG GLN A 587 -7.593 -3.529 2.357 1.00 0.00 C ATOM 822 CD GLN A 587 -8.630 -2.452 2.608 1.00 0.00 C ATOM 823 OE1 GLN A 587 -8.348 -1.261 2.480 1.00 0.00 O ATOM 824 NE2 GLN A 587 -9.839 -2.867 2.968 1.00 0.00 N ATOM 0 H GLN A 587 -5.840 -5.864 4.691 1.00 0.00 H new ATOM 0 HA GLN A 587 -5.114 -4.744 2.110 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.601 -3.111 4.205 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -5.801 -2.446 2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.340 -3.544 1.297 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -8.020 -4.503 2.597 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -10.029 -3.865 3.062 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -10.578 -2.188 3.150 1.00 0.00 H new ATOM 833 N ALA A 588 -3.219 -3.430 3.282 1.00 0.00 N ATOM 834 CA ALA A 588 -1.959 -3.044 3.906 1.00 0.00 C ATOM 835 C ALA A 588 -1.368 -1.810 3.232 1.00 0.00 C ATOM 836 O ALA A 588 -1.509 -1.624 2.023 1.00 0.00 O ATOM 837 CB ALA A 588 -0.971 -4.200 3.858 1.00 0.00 C ATOM 0 H ALA A 588 -3.353 -3.063 2.340 1.00 0.00 H new ATOM 0 HA ALA A 588 -2.159 -2.795 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 588 -0.035 -3.898 4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.385 -5.055 4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.784 -4.476 2.820 1.00 0.00 H new ATOM 843 N LEU A 589 -0.707 -0.971 4.021 1.00 0.00 N ATOM 844 CA LEU A 589 -0.094 0.246 3.500 1.00 0.00 C ATOM 845 C LEU A 589 1.427 0.141 3.518 1.00 0.00 C ATOM 846 O LEU A 589 1.996 -0.660 4.262 1.00 0.00 O ATOM 847 CB LEU A 589 -0.543 1.457 4.319 1.00 0.00 C ATOM 848 CG LEU A 589 -2.010 1.862 4.170 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.443 2.738 5.336 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.234 2.582 2.849 1.00 0.00 C ATOM 0 H LEU A 589 -0.582 -1.111 5.024 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.418 0.373 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.349 1.251 5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 589 0.078 2.309 4.041 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.618 0.958 4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.490 3.016 5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.321 2.188 6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.829 3.638 5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.284 2.862 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.615 3.478 2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -1.964 1.922 2.025 1.00 0.00 H new ATOM 862 N VAL A 590 2.082 0.956 2.697 1.00 0.00 N ATOM 863 CA VAL A 590 3.538 0.956 2.621 1.00 0.00 C ATOM 864 C VAL A 590 4.085 2.379 2.564 1.00 0.00 C ATOM 865 O VAL A 590 3.685 3.173 1.713 1.00 0.00 O ATOM 866 CB VAL A 590 4.036 0.176 1.390 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.557 0.157 1.350 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.477 -1.238 1.394 1.00 0.00 C ATOM 0 H VAL A 590 1.627 1.625 2.075 1.00 0.00 H new ATOM 0 HA VAL A 590 3.902 0.466 3.524 1.00 0.00 H new ATOM 0 HB VAL A 590 3.679 0.681 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.891 -0.398 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.932 1.179 1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.939 -0.323 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.839 -1.775 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.803 -1.755 2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.388 -1.199 1.371 1.00 0.00 H new ATOM 878 N GLN A 591 5.001 2.692 3.474 1.00 0.00 N ATOM 879 CA GLN A 591 5.601 4.019 3.527 1.00 0.00 C ATOM 880 C GLN A 591 7.014 4.001 2.950 1.00 0.00 C ATOM 881 O GLN A 591 7.922 3.400 3.526 1.00 0.00 O ATOM 882 CB GLN A 591 5.633 4.532 4.968 1.00 0.00 C ATOM 883 CG GLN A 591 5.593 6.048 5.076 1.00 0.00 C ATOM 884 CD GLN A 591 6.318 6.564 6.303 1.00 0.00 C ATOM 885 OE1 GLN A 591 7.446 7.049 6.214 1.00 0.00 O ATOM 886 NE2 GLN A 591 5.672 6.463 7.458 1.00 0.00 N ATOM 0 H GLN A 591 5.344 2.045 4.184 1.00 0.00 H new ATOM 0 HA GLN A 591 4.989 4.690 2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.786 4.115 5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 591 6.536 4.165 5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 591 6.041 6.484 4.183 1.00 0.00 H new ATOM 0 HG3 GLN A 591 4.555 6.379 5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 591 4.738 6.054 7.486 1.00 0.00 H new ATOM 0 HE22 GLN A 591 6.110 6.794 8.318 1.00 0.00 H new ATOM 895 N PHE A 592 7.191 4.662 1.812 1.00 0.00 N ATOM 896 CA PHE A 592 8.493 4.720 1.157 1.00 0.00 C ATOM 897 C PHE A 592 9.214 6.023 1.493 1.00 0.00 C ATOM 898 O PHE A 592 8.593 6.996 1.921 1.00 0.00 O ATOM 899 CB PHE A 592 8.331 4.590 -0.358 1.00 0.00 C ATOM 900 CG PHE A 592 7.921 3.214 -0.802 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.708 2.113 -0.505 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.748 3.024 -1.515 1.00 0.00 C ATOM 903 CE1 PHE A 592 8.333 0.846 -0.912 1.00 0.00 C ATOM 904 CE2 PHE A 592 6.368 1.759 -1.922 1.00 0.00 C ATOM 905 CZ PHE A 592 7.161 0.669 -1.622 1.00 0.00 C ATOM 0 H PHE A 592 6.450 5.165 1.324 1.00 0.00 H new ATOM 0 HA PHE A 592 9.094 3.888 1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 592 7.587 5.310 -0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.273 4.853 -0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.625 2.246 0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.125 3.873 -1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.955 -0.004 -0.675 1.00 0.00 H new ATOM 0 HE2 PHE A 592 5.450 1.623 -2.475 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.866 -0.319 -1.942 1.00 0.00 H new ATOM 915 N LYS A 593 10.527 6.033 1.296 1.00 0.00 N ATOM 916 CA LYS A 593 11.335 7.215 1.577 1.00 0.00 C ATOM 917 C LYS A 593 11.197 8.245 0.460 1.00 0.00 C ATOM 918 O LYS A 593 10.914 9.415 0.714 1.00 0.00 O ATOM 919 CB LYS A 593 12.805 6.824 1.747 1.00 0.00 C ATOM 920 CG LYS A 593 13.150 6.354 3.149 1.00 0.00 C ATOM 921 CD LYS A 593 12.856 4.874 3.329 1.00 0.00 C ATOM 922 CE LYS A 593 13.902 4.010 2.640 1.00 0.00 C ATOM 923 NZ LYS A 593 15.048 3.704 3.540 1.00 0.00 N ATOM 0 H LYS A 593 11.056 5.236 0.943 1.00 0.00 H new ATOM 0 HA LYS A 593 10.975 7.660 2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.046 6.032 1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.432 7.680 1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 593 14.205 6.543 3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 593 12.580 6.930 3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 593 12.827 4.634 4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 593 11.870 4.646 2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 593 13.443 3.079 2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 593 14.266 4.522 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 15.739 3.114 3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 15.502 4.591 3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 14.704 3.193 4.378 1.00 0.00 H new ATOM 937 N ASN A 594 11.398 7.802 -0.776 1.00 0.00 N ATOM 938 CA ASN A 594 11.296 8.686 -1.932 1.00 0.00 C ATOM 939 C ASN A 594 10.528 8.012 -3.065 1.00 0.00 C ATOM 940 O ASN A 594 10.386 6.789 -3.091 1.00 0.00 O ATOM 941 CB ASN A 594 12.689 9.091 -2.416 1.00 0.00 C ATOM 942 CG ASN A 594 13.285 10.212 -1.586 1.00 0.00 C ATOM 943 OD1 ASN A 594 12.974 11.385 -1.794 1.00 0.00 O ATOM 944 ND2 ASN A 594 14.146 9.855 -0.640 1.00 0.00 N ATOM 0 H ASN A 594 11.633 6.836 -1.004 1.00 0.00 H new ATOM 0 HA ASN A 594 10.751 9.580 -1.628 1.00 0.00 H new ATOM 0 HB2 ASN A 594 13.350 8.225 -2.380 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.632 9.405 -3.458 1.00 0.00 H new ATOM 0 HD21 ASN A 594 14.579 10.566 -0.050 1.00 0.00 H new ATOM 0 HD22 ASN A 594 14.374 8.870 -0.503 1.00 0.00 H new ATOM 951 N GLU A 595 10.037 8.819 -4.001 1.00 0.00 N ATOM 952 CA GLU A 595 9.283 8.300 -5.137 1.00 0.00 C ATOM 953 C GLU A 595 10.058 7.190 -5.843 1.00 0.00 C ATOM 954 O GLU A 595 9.469 6.309 -6.469 1.00 0.00 O ATOM 955 CB GLU A 595 8.969 9.425 -6.125 1.00 0.00 C ATOM 956 CG GLU A 595 8.223 10.592 -5.502 1.00 0.00 C ATOM 957 CD GLU A 595 8.089 11.771 -6.446 1.00 0.00 C ATOM 958 OE1 GLU A 595 9.059 12.547 -6.567 1.00 0.00 O ATOM 959 OE2 GLU A 595 7.014 11.916 -7.066 1.00 0.00 O ATOM 0 H GLU A 595 10.148 9.833 -3.995 1.00 0.00 H new ATOM 0 HA GLU A 595 8.348 7.884 -4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.902 9.789 -6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.375 9.021 -6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 595 7.230 10.262 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 595 8.745 10.911 -4.600 1.00 0.00 H new ATOM 966 N ASP A 596 11.381 7.240 -5.735 1.00 0.00 N ATOM 967 CA ASP A 596 12.237 6.239 -6.361 1.00 0.00 C ATOM 968 C ASP A 596 11.757 4.830 -6.030 1.00 0.00 C ATOM 969 O ASP A 596 11.941 3.901 -6.817 1.00 0.00 O ATOM 970 CB ASP A 596 13.686 6.419 -5.905 1.00 0.00 C ATOM 971 CG ASP A 596 14.259 7.762 -6.311 1.00 0.00 C ATOM 972 OD1 ASP A 596 14.170 8.108 -7.508 1.00 0.00 O ATOM 973 OD2 ASP A 596 14.796 8.468 -5.433 1.00 0.00 O ATOM 0 H ASP A 596 11.884 7.963 -5.220 1.00 0.00 H new ATOM 0 HA ASP A 596 12.185 6.376 -7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 596 13.738 6.318 -4.821 1.00 0.00 H new ATOM 0 HB3 ASP A 596 14.298 5.623 -6.329 1.00 0.00 H new ATOM 978 N ASP A 597 11.144 4.679 -4.863 1.00 0.00 N ATOM 979 CA ASP A 597 10.637 3.382 -4.427 1.00 0.00 C ATOM 980 C ASP A 597 9.175 3.208 -4.827 1.00 0.00 C ATOM 981 O ASP A 597 8.796 2.186 -5.400 1.00 0.00 O ATOM 982 CB ASP A 597 10.785 3.236 -2.912 1.00 0.00 C ATOM 983 CG ASP A 597 12.083 3.826 -2.397 1.00 0.00 C ATOM 984 OD1 ASP A 597 13.147 3.221 -2.641 1.00 0.00 O ATOM 985 OD2 ASP A 597 12.033 4.893 -1.749 1.00 0.00 O ATOM 0 H ASP A 597 10.985 5.438 -4.200 1.00 0.00 H new ATOM 0 HA ASP A 597 11.224 2.606 -4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 597 9.946 3.727 -2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.738 2.180 -2.646 1.00 0.00 H new ATOM 990 N ALA A 598 8.359 4.211 -4.520 1.00 0.00 N ATOM 991 CA ALA A 598 6.940 4.167 -4.848 1.00 0.00 C ATOM 992 C ALA A 598 6.728 3.891 -6.333 1.00 0.00 C ATOM 993 O ALA A 598 6.027 2.950 -6.704 1.00 0.00 O ATOM 994 CB ALA A 598 6.267 5.473 -4.450 1.00 0.00 C ATOM 0 H ALA A 598 8.656 5.063 -4.045 1.00 0.00 H new ATOM 0 HA ALA A 598 6.487 3.351 -4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.207 5.427 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.380 5.628 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 598 6.731 6.300 -4.987 1.00 0.00 H new ATOM 1000 N ARG A 599 7.336 4.718 -7.176 1.00 0.00 N ATOM 1001 CA ARG A 599 7.212 4.564 -8.621 1.00 0.00 C ATOM 1002 C ARG A 599 7.294 3.093 -9.019 1.00 0.00 C ATOM 1003 O ARG A 599 6.775 2.690 -10.060 1.00 0.00 O ATOM 1004 CB ARG A 599 8.305 5.359 -9.336 1.00 0.00 C ATOM 1005 CG ARG A 599 7.962 6.827 -9.529 1.00 0.00 C ATOM 1006 CD ARG A 599 8.937 7.507 -10.479 1.00 0.00 C ATOM 1007 NE ARG A 599 8.913 8.961 -10.340 1.00 0.00 N ATOM 1008 CZ ARG A 599 9.612 9.784 -11.112 1.00 0.00 C ATOM 1009 NH1 ARG A 599 10.386 9.299 -12.075 1.00 0.00 N ATOM 1010 NH2 ARG A 599 9.537 11.095 -10.925 1.00 0.00 N ATOM 0 H ARG A 599 7.920 5.502 -6.884 1.00 0.00 H new ATOM 0 HA ARG A 599 6.238 4.950 -8.920 1.00 0.00 H new ATOM 0 HB2 ARG A 599 9.230 5.283 -8.765 1.00 0.00 H new ATOM 0 HB3 ARG A 599 8.493 4.907 -10.310 1.00 0.00 H new ATOM 0 HG2 ARG A 599 6.949 6.917 -9.920 1.00 0.00 H new ATOM 0 HG3 ARG A 599 7.977 7.335 -8.565 1.00 0.00 H new ATOM 0 HD2 ARG A 599 9.946 7.141 -10.286 1.00 0.00 H new ATOM 0 HD3 ARG A 599 8.691 7.237 -11.506 1.00 0.00 H new ATOM 0 HE ARG A 599 8.327 9.366 -9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 599 10.445 8.292 -12.223 1.00 0.00 H new ATOM 0 HH12 ARG A 599 10.922 9.934 -12.667 1.00 0.00 H new ATOM 0 HH21 ARG A 599 8.942 11.472 -10.187 1.00 0.00 H new ATOM 0 HH22 ARG A 599 10.075 11.726 -11.519 1.00 0.00 H new ATOM 1024 N LYS A 600 7.952 2.295 -8.184 1.00 0.00 N ATOM 1025 CA LYS A 600 8.104 0.870 -8.447 1.00 0.00 C ATOM 1026 C LYS A 600 6.933 0.082 -7.866 1.00 0.00 C ATOM 1027 O LYS A 600 6.461 -0.882 -8.469 1.00 0.00 O ATOM 1028 CB LYS A 600 9.419 0.358 -7.857 1.00 0.00 C ATOM 1029 CG LYS A 600 10.653 0.936 -8.529 1.00 0.00 C ATOM 1030 CD LYS A 600 11.883 0.801 -7.647 1.00 0.00 C ATOM 1031 CE LYS A 600 13.158 0.750 -8.475 1.00 0.00 C ATOM 1032 NZ LYS A 600 14.251 0.028 -7.765 1.00 0.00 N ATOM 0 H LYS A 600 8.389 2.612 -7.319 1.00 0.00 H new ATOM 0 HA LYS A 600 8.117 0.725 -9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.448 0.598 -6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.446 -0.729 -7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 600 10.826 0.425 -9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.484 1.988 -8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 600 11.930 1.642 -6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 600 11.803 -0.104 -7.044 1.00 0.00 H new ATOM 0 HE2 LYS A 600 12.954 0.257 -9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 600 13.483 1.765 -8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 15.103 0.015 -8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 14.463 0.513 -6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 13.951 -0.948 -7.568 1.00 0.00 H new ATOM 1046 N SER A 601 6.469 0.499 -6.693 1.00 0.00 N ATOM 1047 CA SER A 601 5.355 -0.169 -6.030 1.00 0.00 C ATOM 1048 C SER A 601 4.084 -0.064 -6.866 1.00 0.00 C ATOM 1049 O SER A 601 3.189 -0.902 -6.761 1.00 0.00 O ATOM 1050 CB SER A 601 5.121 0.438 -4.646 1.00 0.00 C ATOM 1051 OG SER A 601 4.490 1.703 -4.743 1.00 0.00 O ATOM 0 H SER A 601 6.847 1.297 -6.182 1.00 0.00 H new ATOM 0 HA SER A 601 5.609 -1.223 -5.918 1.00 0.00 H new ATOM 0 HB2 SER A 601 4.504 -0.235 -4.050 1.00 0.00 H new ATOM 0 HB3 SER A 601 6.073 0.542 -4.126 1.00 0.00 H new ATOM 0 HG SER A 601 4.940 2.242 -5.427 1.00 0.00 H new ATOM 1057 N GLU A 602 4.011 0.972 -7.695 1.00 0.00 N ATOM 1058 CA GLU A 602 2.849 1.188 -8.548 1.00 0.00 C ATOM 1059 C GLU A 602 2.904 0.289 -9.780 1.00 0.00 C ATOM 1060 O GLU A 602 1.872 -0.128 -10.304 1.00 0.00 O ATOM 1061 CB GLU A 602 2.768 2.655 -8.977 1.00 0.00 C ATOM 1062 CG GLU A 602 4.038 3.168 -9.634 1.00 0.00 C ATOM 1063 CD GLU A 602 3.851 4.525 -10.285 1.00 0.00 C ATOM 1064 OE1 GLU A 602 3.680 5.518 -9.548 1.00 0.00 O ATOM 1065 OE2 GLU A 602 3.876 4.592 -11.531 1.00 0.00 O ATOM 0 H GLU A 602 4.743 1.675 -7.794 1.00 0.00 H new ATOM 0 HA GLU A 602 1.957 0.935 -7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 602 1.936 2.777 -9.670 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.547 3.269 -8.103 1.00 0.00 H new ATOM 0 HG2 GLU A 602 4.828 3.234 -8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 602 4.369 2.451 -10.385 1.00 0.00 H new ATOM 1072 N ARG A 603 4.117 -0.004 -10.238 1.00 0.00 N ATOM 1073 CA ARG A 603 4.308 -0.852 -11.408 1.00 0.00 C ATOM 1074 C ARG A 603 3.731 -2.244 -11.171 1.00 0.00 C ATOM 1075 O ARG A 603 3.381 -2.952 -12.117 1.00 0.00 O ATOM 1076 CB ARG A 603 5.795 -0.956 -11.752 1.00 0.00 C ATOM 1077 CG ARG A 603 6.114 -2.054 -12.753 1.00 0.00 C ATOM 1078 CD ARG A 603 7.597 -2.092 -13.086 1.00 0.00 C ATOM 1079 NE ARG A 603 8.339 -2.965 -12.181 1.00 0.00 N ATOM 1080 CZ ARG A 603 9.640 -3.208 -12.296 1.00 0.00 C ATOM 1081 NH1 ARG A 603 10.339 -2.645 -13.272 1.00 0.00 N ATOM 1082 NH2 ARG A 603 10.245 -4.014 -11.432 1.00 0.00 N ATOM 0 H ARG A 603 4.982 0.334 -9.816 1.00 0.00 H new ATOM 0 HA ARG A 603 3.780 -0.397 -12.245 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.134 -0.001 -12.153 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.359 -1.136 -10.837 1.00 0.00 H new ATOM 0 HG2 ARG A 603 5.806 -3.018 -12.347 1.00 0.00 H new ATOM 0 HG3 ARG A 603 5.539 -1.894 -13.665 1.00 0.00 H new ATOM 0 HD2 ARG A 603 7.729 -2.436 -14.112 1.00 0.00 H new ATOM 0 HD3 ARG A 603 8.006 -1.083 -13.033 1.00 0.00 H new ATOM 0 HE ARG A 603 7.831 -3.413 -11.419 1.00 0.00 H new ATOM 0 HH11 ARG A 603 9.878 -2.024 -13.937 1.00 0.00 H new ATOM 0 HH12 ARG A 603 11.338 -2.833 -13.358 1.00 0.00 H new ATOM 0 HH21 ARG A 603 9.711 -4.447 -10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 603 11.244 -4.200 -11.521 1.00 0.00 H new ATOM 1096 N LEU A 604 3.636 -2.631 -9.905 1.00 0.00 N ATOM 1097 CA LEU A 604 3.102 -3.940 -9.542 1.00 0.00 C ATOM 1098 C LEU A 604 1.579 -3.906 -9.473 1.00 0.00 C ATOM 1099 O LEU A 604 0.946 -4.854 -9.006 1.00 0.00 O ATOM 1100 CB LEU A 604 3.676 -4.392 -8.199 1.00 0.00 C ATOM 1101 CG LEU A 604 5.187 -4.622 -8.157 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.647 -4.890 -6.733 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.577 -5.775 -9.071 1.00 0.00 C ATOM 0 H LEU A 604 3.922 -2.058 -9.111 1.00 0.00 H new ATOM 0 HA LEU A 604 3.396 -4.652 -10.313 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.422 -3.644 -7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.180 -5.318 -7.908 1.00 0.00 H new ATOM 0 HG LEU A 604 5.682 -3.719 -8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.725 -5.051 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.402 -4.034 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 604 5.144 -5.777 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.656 -5.924 -9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 604 5.072 -6.684 -8.745 1.00 0.00 H new ATOM 0 HD23 LEU A 604 5.283 -5.543 -10.095 1.00 0.00 H new ATOM 1115 N HIS A 605 0.994 -2.808 -9.943 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.456 -2.652 -9.936 1.00 0.00 C ATOM 1117 C HIS A 605 -1.127 -3.764 -10.737 1.00 0.00 C ATOM 1118 O HIS A 605 -0.616 -4.190 -11.773 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.846 -1.289 -10.508 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.326 -1.089 -10.624 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -3.199 -1.311 -9.580 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -3.085 -0.683 -11.668 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.433 -1.053 -9.978 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.390 -0.669 -11.241 1.00 0.00 N ATOM 0 H HIS A 605 1.502 -2.014 -10.333 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.798 -2.716 -8.903 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.430 -0.506 -9.874 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.394 -1.175 -11.493 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.730 -0.419 -12.653 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.324 -1.141 -9.374 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.196 -0.405 -11.808 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.272 -4.230 -10.250 1.00 0.00 N ATOM 1133 CA ARG A 606 -3.011 -5.293 -10.920 1.00 0.00 C ATOM 1134 C ARG A 606 -2.175 -6.568 -11.000 1.00 0.00 C ATOM 1135 O ARG A 606 -2.071 -7.190 -12.059 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.421 -4.851 -12.326 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.335 -3.637 -12.339 1.00 0.00 C ATOM 1138 CD ARG A 606 -4.217 -2.866 -13.645 1.00 0.00 C ATOM 1139 NE ARG A 606 -5.166 -3.340 -14.648 1.00 0.00 N ATOM 1140 CZ ARG A 606 -5.277 -2.813 -15.862 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -4.501 -1.801 -16.223 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -6.165 -3.300 -16.720 1.00 0.00 N ATOM 0 H ARG A 606 -2.708 -3.888 -9.394 1.00 0.00 H new ATOM 0 HA ARG A 606 -3.908 -5.502 -10.336 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.524 -4.626 -12.903 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -3.923 -5.679 -12.826 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.367 -3.956 -12.195 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -4.084 -2.982 -11.504 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -4.388 -1.806 -13.457 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -3.203 -2.962 -14.032 1.00 0.00 H new ATOM 0 HE ARG A 606 -5.777 -4.119 -14.403 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -3.816 -1.425 -15.568 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -4.589 -1.399 -17.156 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -6.763 -4.080 -16.447 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -6.249 -2.894 -17.652 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.581 -6.951 -9.876 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.754 -8.151 -9.817 1.00 0.00 C ATOM 1158 C LYS A 607 -1.529 -9.315 -9.205 1.00 0.00 C ATOM 1159 O LYS A 607 -2.527 -9.115 -8.513 1.00 0.00 O ATOM 1160 CB LYS A 607 0.513 -7.884 -9.002 1.00 0.00 C ATOM 1161 CG LYS A 607 1.666 -7.341 -9.830 1.00 0.00 C ATOM 1162 CD LYS A 607 2.497 -8.462 -10.431 1.00 0.00 C ATOM 1163 CE LYS A 607 3.429 -7.946 -11.516 1.00 0.00 C ATOM 1164 NZ LYS A 607 2.684 -7.247 -12.601 1.00 0.00 N ATOM 0 H LYS A 607 -1.657 -6.448 -8.992 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.473 -8.419 -10.836 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.281 -7.174 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.827 -8.810 -8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.276 -6.708 -10.627 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.300 -6.712 -9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 607 3.081 -8.943 -9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 607 1.837 -9.222 -10.849 1.00 0.00 H new ATOM 0 HE2 LYS A 607 4.156 -7.263 -11.076 1.00 0.00 H new ATOM 0 HE3 LYS A 607 3.990 -8.779 -11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 3.244 -7.270 -13.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 1.773 -7.723 -12.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 2.514 -6.259 -12.325 1.00 0.00 H new ATOM 1178 N LYS A 608 -1.060 -10.532 -9.463 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.706 -11.727 -8.936 1.00 0.00 C ATOM 1180 C LYS A 608 -0.953 -12.262 -7.722 1.00 0.00 C ATOM 1181 O LYS A 608 0.035 -12.987 -7.861 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.786 -12.808 -10.017 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.486 -12.349 -11.284 1.00 0.00 C ATOM 1184 CD LYS A 608 -2.623 -13.482 -12.287 1.00 0.00 C ATOM 1185 CE LYS A 608 -2.707 -12.957 -13.712 1.00 0.00 C ATOM 1186 NZ LYS A 608 -1.361 -12.826 -14.336 1.00 0.00 N ATOM 0 H LYS A 608 -0.235 -10.716 -10.034 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.715 -11.457 -8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.777 -13.135 -10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -2.311 -13.674 -9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.474 -11.961 -11.035 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -1.926 -11.529 -11.734 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -1.771 -14.155 -12.196 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -3.516 -14.065 -12.060 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -3.321 -13.630 -14.311 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -3.203 -11.987 -13.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -1.462 -12.465 -15.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -0.783 -12.165 -13.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -0.897 -13.756 -14.359 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.424 -11.905 -6.534 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.795 -12.350 -5.295 1.00 0.00 C ATOM 1202 C LEU A 609 -1.468 -13.613 -4.767 1.00 0.00 C ATOM 1203 O LEU A 609 -2.607 -13.574 -4.304 1.00 0.00 O ATOM 1204 CB LEU A 609 -0.860 -11.245 -4.240 1.00 0.00 C ATOM 1205 CG LEU A 609 0.070 -11.408 -3.037 1.00 0.00 C ATOM 1206 CD1 LEU A 609 0.206 -10.094 -2.285 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.442 -12.503 -2.113 1.00 0.00 C ATOM 0 H LEU A 609 -2.240 -11.308 -6.401 1.00 0.00 H new ATOM 0 HA LEU A 609 0.249 -12.578 -5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.632 -10.295 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -1.885 -11.179 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 609 1.056 -11.698 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.871 -10.230 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.618 -9.335 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -0.774 -9.773 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 609 0.232 -12.606 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.439 -12.242 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -0.486 -13.447 -2.657 1.00 0.00 H new ATOM 1219 N ASN A 610 -0.754 -14.732 -4.836 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.282 -16.006 -4.364 1.00 0.00 C ATOM 1221 C ASN A 610 -2.514 -16.415 -5.164 1.00 0.00 C ATOM 1222 O ASN A 610 -3.411 -17.081 -4.647 1.00 0.00 O ATOM 1223 CB ASN A 610 -1.632 -15.917 -2.877 1.00 0.00 C ATOM 1224 CG ASN A 610 -0.425 -16.135 -1.985 1.00 0.00 C ATOM 1225 OD1 ASN A 610 0.713 -15.900 -2.392 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -0.669 -16.587 -0.760 1.00 0.00 N ATOM 0 H ASN A 610 0.192 -14.782 -5.214 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.512 -16.764 -4.505 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -2.064 -14.939 -2.666 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.394 -16.660 -2.641 1.00 0.00 H new ATOM 0 HD21 ASN A 610 0.103 -16.753 -0.114 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -1.628 -16.768 -0.465 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.551 -16.014 -6.431 1.00 0.00 N ATOM 1234 CA GLY A 611 -3.678 -16.347 -7.283 1.00 0.00 C ATOM 1235 C GLY A 611 -4.833 -15.379 -7.123 1.00 0.00 C ATOM 1236 O GLY A 611 -5.939 -15.638 -7.598 1.00 0.00 O ATOM 0 H GLY A 611 -1.820 -15.464 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.354 -16.352 -8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.019 -17.356 -7.051 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.578 -14.262 -6.450 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.607 -13.253 -6.225 1.00 0.00 C ATOM 1242 C ARG A 612 -5.183 -11.906 -6.805 1.00 0.00 C ATOM 1243 O ARG A 612 -4.046 -11.474 -6.627 1.00 0.00 O ATOM 1244 CB ARG A 612 -5.892 -13.109 -4.730 1.00 0.00 C ATOM 1245 CG ARG A 612 -6.256 -14.420 -4.050 1.00 0.00 C ATOM 1246 CD ARG A 612 -7.187 -14.195 -2.870 1.00 0.00 C ATOM 1247 NE ARG A 612 -8.583 -14.086 -3.287 1.00 0.00 N ATOM 1248 CZ ARG A 612 -9.583 -13.835 -2.450 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -9.343 -13.668 -1.156 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -10.826 -13.750 -2.905 1.00 0.00 N ATOM 0 H ARG A 612 -3.668 -14.032 -6.051 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.516 -13.578 -6.731 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -5.014 -12.687 -4.240 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.707 -12.399 -4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -6.734 -15.084 -4.770 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -5.349 -14.919 -3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -7.083 -15.019 -2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -6.894 -13.286 -2.345 1.00 0.00 H new ATOM 0 HE ARG A 612 -8.802 -14.210 -4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -8.389 -13.732 -0.802 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -10.113 -13.475 -0.515 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -11.015 -13.878 -3.899 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -11.593 -13.557 -2.261 1.00 0.00 H new ATOM 1264 N GLU A 613 -6.107 -11.250 -7.500 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.829 -9.954 -8.107 1.00 0.00 C ATOM 1266 C GLU A 613 -5.816 -8.851 -7.051 1.00 0.00 C ATOM 1267 O GLU A 613 -6.808 -8.628 -6.360 1.00 0.00 O ATOM 1268 CB GLU A 613 -6.870 -9.634 -9.180 1.00 0.00 C ATOM 1269 CG GLU A 613 -6.962 -10.687 -10.272 1.00 0.00 C ATOM 1270 CD GLU A 613 -7.801 -11.882 -9.861 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -8.935 -11.675 -9.383 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -7.320 -13.025 -10.017 1.00 0.00 O ATOM 0 H GLU A 613 -7.054 -11.595 -7.657 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.844 -10.003 -8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.846 -9.527 -8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.629 -8.673 -9.633 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -7.390 -10.239 -11.169 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -5.959 -11.024 -10.532 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.683 -8.165 -6.935 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.540 -7.086 -5.967 1.00 0.00 C ATOM 1281 C ALA A 614 -4.413 -5.735 -6.664 1.00 0.00 C ATOM 1282 O ALA A 614 -3.958 -5.656 -7.805 1.00 0.00 O ATOM 1283 CB ALA A 614 -3.334 -7.335 -5.073 1.00 0.00 C ATOM 0 H ALA A 614 -3.851 -8.338 -7.500 1.00 0.00 H new ATOM 0 HA ALA A 614 -5.438 -7.064 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -3.239 -6.521 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -3.465 -8.276 -4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.433 -7.386 -5.684 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.821 -4.676 -5.972 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.754 -3.330 -6.527 1.00 0.00 C ATOM 1291 C PHE A 615 -3.858 -2.436 -5.676 1.00 0.00 C ATOM 1292 O PHE A 615 -3.990 -2.387 -4.453 1.00 0.00 O ATOM 1293 CB PHE A 615 -6.156 -2.724 -6.620 1.00 0.00 C ATOM 1294 CG PHE A 615 -7.056 -3.441 -7.585 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -6.697 -3.581 -8.916 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -8.262 -3.978 -7.161 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -7.523 -4.240 -9.806 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -9.092 -4.639 -8.047 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.722 -4.771 -9.371 1.00 0.00 C ATOM 0 H PHE A 615 -5.201 -4.724 -5.027 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.327 -3.397 -7.528 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.614 -2.735 -5.631 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -6.073 -1.680 -6.921 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -5.760 -3.170 -9.262 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -8.556 -3.879 -6.127 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -7.232 -4.340 -10.841 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -10.029 -5.052 -7.704 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.368 -5.288 -10.065 1.00 0.00 H new ATOM 1309 N VAL A 616 -2.943 -1.728 -6.332 1.00 0.00 N ATOM 1310 CA VAL A 616 -2.024 -0.835 -5.638 1.00 0.00 C ATOM 1311 C VAL A 616 -2.264 0.617 -6.034 1.00 0.00 C ATOM 1312 O VAL A 616 -2.197 0.970 -7.213 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.556 -1.199 -5.933 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.379 -0.443 -5.002 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.346 -2.701 -5.809 1.00 0.00 C ATOM 0 H VAL A 616 -2.819 -1.756 -7.344 1.00 0.00 H new ATOM 0 HA VAL A 616 -2.213 -0.954 -4.571 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.325 -0.905 -6.957 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.411 -0.713 -5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 616 0.245 0.629 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.151 -0.703 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.696 -2.941 -6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.594 -3.021 -4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -0.989 -3.218 -6.521 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.545 1.457 -5.043 1.00 0.00 N ATOM 1326 CA HIS A 617 -2.795 2.874 -5.288 1.00 0.00 C ATOM 1327 C HIS A 617 -1.708 3.735 -4.652 1.00 0.00 C ATOM 1328 O HIS A 617 -1.316 3.513 -3.506 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.165 3.273 -4.738 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.304 2.885 -5.630 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -5.959 1.677 -5.532 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -5.904 3.556 -6.642 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -6.913 1.620 -6.444 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -6.901 2.748 -7.131 1.00 0.00 N ATOM 0 H HIS A 617 -2.605 1.182 -4.063 1.00 0.00 H new ATOM 0 HA HIS A 617 -2.781 3.040 -6.365 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.305 2.809 -3.762 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.186 4.352 -4.584 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -5.646 4.543 -6.998 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.588 0.792 -6.601 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.530 2.981 -7.900 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.223 4.717 -5.404 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.182 5.612 -4.915 1.00 0.00 C ATOM 1344 C VAL A 618 -0.783 6.874 -4.305 1.00 0.00 C ATOM 1345 O VAL A 618 -1.567 7.574 -4.946 1.00 0.00 O ATOM 1346 CB VAL A 618 0.790 6.012 -6.041 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.995 6.746 -5.471 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.225 4.787 -6.829 1.00 0.00 C ATOM 0 H VAL A 618 -1.535 4.913 -6.355 1.00 0.00 H new ATOM 0 HA VAL A 618 0.368 5.067 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 618 0.272 6.688 -6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.670 7.021 -6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 618 1.662 7.647 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.517 6.097 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 618 1.911 5.088 -7.620 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.725 4.085 -6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.350 4.309 -7.270 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.409 7.160 -3.062 1.00 0.00 N ATOM 1359 CA VAL A 619 -0.910 8.339 -2.364 1.00 0.00 C ATOM 1360 C VAL A 619 0.195 9.010 -1.556 1.00 0.00 C ATOM 1361 O VAL A 619 1.344 8.567 -1.565 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.075 7.981 -1.423 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.242 7.405 -2.212 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.613 7.007 -0.350 1.00 0.00 C ATOM 0 H VAL A 619 0.239 6.591 -2.517 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.269 9.030 -3.127 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.415 8.892 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.056 7.158 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.588 8.140 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -2.919 6.504 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.449 6.765 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.245 6.095 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -0.813 7.462 0.234 1.00 0.00 H new ATOM 1374 N THR A 620 -0.160 10.084 -0.856 1.00 0.00 N ATOM 1375 CA THR A 620 0.800 10.817 -0.042 1.00 0.00 C ATOM 1376 C THR A 620 0.918 10.209 1.351 1.00 0.00 C ATOM 1377 O THR A 620 0.125 9.348 1.732 1.00 0.00 O ATOM 1378 CB THR A 620 0.409 12.300 0.088 1.00 0.00 C ATOM 1379 OG1 THR A 620 -0.996 12.416 0.340 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.768 13.069 -1.175 1.00 0.00 C ATOM 0 H THR A 620 -1.106 10.465 -0.837 1.00 0.00 H new ATOM 0 HA THR A 620 1.763 10.746 -0.548 1.00 0.00 H new ATOM 0 HB THR A 620 0.964 12.727 0.923 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.236 13.362 0.423 1.00 0.00 H new ATOM 0 HG21 THR A 620 0.482 14.114 -1.058 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.842 13.004 -1.348 1.00 0.00 H new ATOM 0 HG23 THR A 620 0.237 12.640 -2.025 1.00 0.00 H new ATOM 1388 N LEU A 621 1.911 10.664 2.107 1.00 0.00 N ATOM 1389 CA LEU A 621 2.132 10.165 3.461 1.00 0.00 C ATOM 1390 C LEU A 621 0.892 10.369 4.325 1.00 0.00 C ATOM 1391 O LEU A 621 0.307 9.408 4.824 1.00 0.00 O ATOM 1392 CB LEU A 621 3.332 10.870 4.096 1.00 0.00 C ATOM 1393 CG LEU A 621 3.878 10.243 5.378 1.00 0.00 C ATOM 1394 CD1 LEU A 621 5.340 10.611 5.573 1.00 0.00 C ATOM 1395 CD2 LEU A 621 3.051 10.679 6.579 1.00 0.00 C ATOM 0 H LEU A 621 2.576 11.377 1.806 1.00 0.00 H new ATOM 0 HA LEU A 621 2.337 9.096 3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 621 4.137 10.906 3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 621 3.050 11.901 4.311 1.00 0.00 H new ATOM 0 HG LEU A 621 3.808 9.159 5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 621 5.711 10.155 6.491 1.00 0.00 H new ATOM 0 HD12 LEU A 621 5.923 10.248 4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 621 5.436 11.695 5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 621 3.454 10.223 7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 621 3.089 11.764 6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 621 2.017 10.362 6.443 1.00 0.00 H new ATOM 1407 N GLU A 622 0.496 11.626 4.496 1.00 0.00 N ATOM 1408 CA GLU A 622 -0.675 11.954 5.300 1.00 0.00 C ATOM 1409 C GLU A 622 -1.834 11.012 4.982 1.00 0.00 C ATOM 1410 O GLU A 622 -2.362 10.341 5.869 1.00 0.00 O ATOM 1411 CB GLU A 622 -1.100 13.404 5.053 1.00 0.00 C ATOM 1412 CG GLU A 622 -1.815 14.037 6.235 1.00 0.00 C ATOM 1413 CD GLU A 622 -2.235 15.468 5.962 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -1.422 16.384 6.208 1.00 0.00 O ATOM 1415 OE2 GLU A 622 -3.379 15.674 5.504 1.00 0.00 O ATOM 0 H GLU A 622 0.968 12.433 4.089 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.409 11.834 6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -0.217 13.997 4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -1.754 13.439 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -2.696 13.444 6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -1.160 14.014 7.106 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.224 10.970 3.713 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.319 10.111 3.278 1.00 0.00 C ATOM 1424 C ASP A 623 -3.197 8.721 3.895 1.00 0.00 C ATOM 1425 O ASP A 623 -4.166 8.182 4.430 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.337 10.005 1.752 1.00 0.00 C ATOM 1427 CG ASP A 623 -4.006 11.196 1.097 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -4.822 11.863 1.769 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -3.714 11.464 -0.088 1.00 0.00 O ATOM 0 H ASP A 623 -1.798 11.521 2.967 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.254 10.558 3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -2.314 9.919 1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -3.858 9.093 1.460 1.00 0.00 H new ATOM 1434 N MET A 624 -2.001 8.147 3.817 1.00 0.00 N ATOM 1435 CA MET A 624 -1.754 6.820 4.369 1.00 0.00 C ATOM 1436 C MET A 624 -2.132 6.765 5.846 1.00 0.00 C ATOM 1437 O MET A 624 -2.812 5.840 6.289 1.00 0.00 O ATOM 1438 CB MET A 624 -0.284 6.437 4.192 1.00 0.00 C ATOM 1439 CG MET A 624 0.064 5.076 4.774 1.00 0.00 C ATOM 1440 SD MET A 624 1.782 4.967 5.308 1.00 0.00 S ATOM 1441 CE MET A 624 1.602 5.187 7.076 1.00 0.00 C ATOM 0 H MET A 624 -1.188 8.579 3.377 1.00 0.00 H new ATOM 0 HA MET A 624 -2.376 6.107 3.827 1.00 0.00 H new ATOM 0 HB2 MET A 624 -0.041 6.441 3.129 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.340 7.195 4.665 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.590 4.870 5.622 1.00 0.00 H new ATOM 0 HG3 MET A 624 -0.130 4.306 4.027 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.583 5.144 7.550 1.00 0.00 H new ATOM 0 HE2 MET A 624 1.144 6.155 7.277 1.00 0.00 H new ATOM 0 HE3 MET A 624 0.970 4.396 7.479 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.686 7.763 6.603 1.00 0.00 N ATOM 1452 CA ARG A 625 -1.976 7.827 8.030 1.00 0.00 C ATOM 1453 C ARG A 625 -3.482 7.866 8.278 1.00 0.00 C ATOM 1454 O ARG A 625 -4.018 7.048 9.024 1.00 0.00 O ATOM 1455 CB ARG A 625 -1.314 9.058 8.652 1.00 0.00 C ATOM 1456 CG ARG A 625 -0.957 8.882 10.119 1.00 0.00 C ATOM 1457 CD ARG A 625 -2.196 8.896 11.000 1.00 0.00 C ATOM 1458 NE ARG A 625 -1.904 8.458 12.362 1.00 0.00 N ATOM 1459 CZ ARG A 625 -1.331 9.230 13.277 1.00 0.00 C ATOM 1460 NH1 ARG A 625 -0.991 10.477 12.977 1.00 0.00 N ATOM 1461 NH2 ARG A 625 -1.098 8.759 14.495 1.00 0.00 N ATOM 0 H ARG A 625 -1.123 8.537 6.252 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.571 6.930 8.498 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.409 9.295 8.093 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -1.985 9.911 8.550 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -0.424 7.941 10.254 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -0.281 9.679 10.428 1.00 0.00 H new ATOM 0 HD2 ARG A 625 -2.612 9.903 11.024 1.00 0.00 H new ATOM 0 HD3 ARG A 625 -2.957 8.247 10.566 1.00 0.00 H new ATOM 0 HE ARG A 625 -2.155 7.505 12.625 1.00 0.00 H new ATOM 0 HH11 ARG A 625 -1.170 10.844 12.042 1.00 0.00 H new ATOM 0 HH12 ARG A 625 -0.551 11.069 13.681 1.00 0.00 H new ATOM 0 HH21 ARG A 625 -1.359 7.801 14.730 1.00 0.00 H new ATOM 0 HH22 ARG A 625 -0.657 9.354 15.196 1.00 0.00 H new ATOM 1475 N GLU A 626 -4.155 8.822 7.645 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.598 8.968 7.799 1.00 0.00 C ATOM 1477 C GLU A 626 -6.310 7.645 7.531 1.00 0.00 C ATOM 1478 O GLU A 626 -7.317 7.330 8.167 1.00 0.00 O ATOM 1479 CB GLU A 626 -6.128 10.045 6.850 1.00 0.00 C ATOM 1480 CG GLU A 626 -5.959 11.459 7.380 1.00 0.00 C ATOM 1481 CD GLU A 626 -5.834 12.486 6.272 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -5.361 12.121 5.176 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -6.210 13.655 6.501 1.00 0.00 O ATOM 0 H GLU A 626 -3.725 9.506 7.022 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.799 9.268 8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.612 9.960 5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -7.185 9.861 6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -6.812 11.711 8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.072 11.502 8.012 1.00 0.00 H new ATOM 1490 N ILE A 627 -5.780 6.875 6.587 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.364 5.586 6.236 1.00 0.00 C ATOM 1492 C ILE A 627 -6.156 4.566 7.350 1.00 0.00 C ATOM 1493 O ILE A 627 -7.066 3.810 7.689 1.00 0.00 O ATOM 1494 CB ILE A 627 -5.762 5.033 4.931 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.132 5.933 3.751 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.242 3.609 4.688 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -5.308 5.671 2.509 1.00 0.00 C ATOM 0 H ILE A 627 -4.947 7.121 6.051 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.432 5.752 6.093 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.676 5.019 5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.187 5.792 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -6.008 6.975 4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -5.808 3.232 3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -5.933 2.974 5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.329 3.600 4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -5.625 6.345 1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -4.254 5.840 2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -5.451 4.639 2.189 1.00 0.00 H new ATOM 1509 N GLU A 628 -4.955 4.555 7.918 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.629 3.629 8.996 1.00 0.00 C ATOM 1511 C GLU A 628 -5.459 3.929 10.241 1.00 0.00 C ATOM 1512 O GLU A 628 -6.107 3.044 10.798 1.00 0.00 O ATOM 1513 CB GLU A 628 -3.138 3.706 9.332 1.00 0.00 C ATOM 1514 CG GLU A 628 -2.583 2.426 9.935 1.00 0.00 C ATOM 1515 CD GLU A 628 -1.067 2.409 9.973 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -0.446 2.540 8.898 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -0.503 2.267 11.078 1.00 0.00 O ATOM 0 H GLU A 628 -4.192 5.176 7.650 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.866 2.620 8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.581 3.941 8.425 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -2.973 4.527 10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -2.970 2.308 10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -2.938 1.573 9.357 1.00 0.00 H new ATOM 1524 N LYS A 629 -5.431 5.185 10.673 1.00 0.00 N ATOM 1525 CA LYS A 629 -6.181 5.606 11.852 1.00 0.00 C ATOM 1526 C LYS A 629 -7.659 5.260 11.709 1.00 0.00 C ATOM 1527 O LYS A 629 -8.281 4.756 12.643 1.00 0.00 O ATOM 1528 CB LYS A 629 -6.017 7.111 12.074 1.00 0.00 C ATOM 1529 CG LYS A 629 -6.719 7.960 11.029 1.00 0.00 C ATOM 1530 CD LYS A 629 -6.608 9.442 11.348 1.00 0.00 C ATOM 1531 CE LYS A 629 -5.158 9.868 11.512 1.00 0.00 C ATOM 1532 NZ LYS A 629 -5.001 11.347 11.424 1.00 0.00 N ATOM 0 H LYS A 629 -4.897 5.930 10.225 1.00 0.00 H new ATOM 0 HA LYS A 629 -5.784 5.072 12.715 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -6.405 7.369 13.060 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -4.955 7.356 12.075 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -6.285 7.764 10.049 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -7.770 7.676 10.975 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -7.071 10.023 10.550 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -7.159 9.661 12.263 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -4.784 9.520 12.475 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -4.550 9.392 10.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -3.998 11.597 11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -5.334 11.677 10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -5.561 11.801 12.174 1.00 0.00 H new ATOM 1546 N ASN A 630 -8.215 5.530 10.532 1.00 0.00 N ATOM 1547 CA ASN A 630 -9.620 5.247 10.267 1.00 0.00 C ATOM 1548 C ASN A 630 -9.793 4.577 8.908 1.00 0.00 C ATOM 1549 O ASN A 630 -10.109 5.219 7.906 1.00 0.00 O ATOM 1550 CB ASN A 630 -10.441 6.536 10.320 1.00 0.00 C ATOM 1551 CG ASN A 630 -10.322 7.243 11.657 1.00 0.00 C ATOM 1552 OD1 ASN A 630 -10.308 6.606 12.710 1.00 0.00 O ATOM 1553 ND2 ASN A 630 -10.236 8.568 11.619 1.00 0.00 N ATOM 0 H ASN A 630 -7.713 5.945 9.747 1.00 0.00 H new ATOM 0 HA ASN A 630 -9.978 4.564 11.038 1.00 0.00 H new ATOM 0 HB2 ASN A 630 -10.111 7.207 9.527 1.00 0.00 H new ATOM 0 HB3 ASN A 630 -11.488 6.305 10.126 1.00 0.00 H new ATOM 0 HD21 ASN A 630 -10.154 9.099 12.486 1.00 0.00 H new ATOM 0 HD22 ASN A 630 -10.252 9.055 10.723 1.00 0.00 H new ATOM 1560 N PRO A 631 -9.582 3.253 8.869 1.00 0.00 N ATOM 1561 CA PRO A 631 -9.709 2.466 7.639 1.00 0.00 C ATOM 1562 C PRO A 631 -10.972 2.812 6.858 1.00 0.00 C ATOM 1563 O PRO A 631 -12.000 3.181 7.425 1.00 0.00 O ATOM 1564 CB PRO A 631 -9.772 1.022 8.146 1.00 0.00 C ATOM 1565 CG PRO A 631 -9.025 1.041 9.434 1.00 0.00 C ATOM 1566 CD PRO A 631 -9.202 2.421 10.024 1.00 0.00 C ATOM 0 HA PRO A 631 -8.887 2.654 6.948 1.00 0.00 H new ATOM 0 HB2 PRO A 631 -10.803 0.698 8.291 1.00 0.00 H new ATOM 0 HB3 PRO A 631 -9.318 0.332 7.435 1.00 0.00 H new ATOM 0 HG2 PRO A 631 -9.407 0.279 10.113 1.00 0.00 H new ATOM 0 HG3 PRO A 631 -7.969 0.823 9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 631 -9.973 2.430 10.794 1.00 0.00 H new ATOM 0 HD3 PRO A 631 -8.283 2.778 10.489 1.00 0.00 H new ATOM 1574 N PRO A 632 -10.896 2.692 5.524 1.00 0.00 N ATOM 1575 CA PRO A 632 -12.025 2.986 4.636 1.00 0.00 C ATOM 1576 C PRO A 632 -13.055 1.862 4.616 1.00 0.00 C ATOM 1577 O PRO A 632 -12.708 0.692 4.459 1.00 0.00 O ATOM 1578 CB PRO A 632 -11.366 3.133 3.262 1.00 0.00 C ATOM 1579 CG PRO A 632 -10.145 2.282 3.334 1.00 0.00 C ATOM 1580 CD PRO A 632 -9.701 2.256 4.780 1.00 0.00 C ATOM 0 HA PRO A 632 -12.576 3.870 4.956 1.00 0.00 H new ATOM 0 HB2 PRO A 632 -12.033 2.802 2.466 1.00 0.00 H new ATOM 0 HB3 PRO A 632 -11.112 4.172 3.054 1.00 0.00 H new ATOM 0 HG2 PRO A 632 -10.358 1.274 2.979 1.00 0.00 H new ATOM 0 HG3 PRO A 632 -9.357 2.685 2.697 1.00 0.00 H new ATOM 0 HD2 PRO A 632 -9.384 1.258 5.083 1.00 0.00 H new ATOM 0 HD3 PRO A 632 -8.857 2.925 4.951 1.00 0.00 H new ATOM 1588 N ALA A 633 -14.323 2.226 4.775 1.00 0.00 N ATOM 1589 CA ALA A 633 -15.404 1.247 4.772 1.00 0.00 C ATOM 1590 C ALA A 633 -15.268 0.282 3.600 1.00 0.00 C ATOM 1591 O ALA A 633 -15.470 -0.923 3.750 1.00 0.00 O ATOM 1592 CB ALA A 633 -16.752 1.951 4.726 1.00 0.00 C ATOM 0 H ALA A 633 -14.627 3.191 4.907 1.00 0.00 H new ATOM 0 HA ALA A 633 -15.340 0.668 5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 633 -17.550 1.209 4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 633 -16.857 2.594 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 633 -16.816 2.555 3.821 1.00 0.00 H new ATOM 1598 N GLN A 634 -14.926 0.819 2.434 1.00 0.00 N ATOM 1599 CA GLN A 634 -14.764 0.005 1.235 1.00 0.00 C ATOM 1600 C GLN A 634 -13.868 0.704 0.218 1.00 0.00 C ATOM 1601 O GLN A 634 -13.552 1.884 0.361 1.00 0.00 O ATOM 1602 CB GLN A 634 -16.127 -0.296 0.610 1.00 0.00 C ATOM 1603 CG GLN A 634 -16.983 -1.239 1.440 1.00 0.00 C ATOM 1604 CD GLN A 634 -18.143 -1.818 0.655 1.00 0.00 C ATOM 1605 OE1 GLN A 634 -18.400 -1.420 -0.481 1.00 0.00 O ATOM 1606 NE2 GLN A 634 -18.851 -2.767 1.258 1.00 0.00 N ATOM 0 H GLN A 634 -14.756 1.815 2.294 1.00 0.00 H new ATOM 0 HA GLN A 634 -14.290 -0.933 1.525 1.00 0.00 H new ATOM 0 HB2 GLN A 634 -16.667 0.640 0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 634 -15.976 -0.731 -0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 634 -16.362 -2.052 1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 634 -17.368 -0.705 2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 634 -18.603 -3.067 2.201 1.00 0.00 H new ATOM 0 HE22 GLN A 634 -19.642 -3.196 0.778 1.00 0.00 H new ATOM 1615 N GLY A 635 -13.461 -0.035 -0.810 1.00 0.00 N ATOM 1616 CA GLY A 635 -12.604 0.531 -1.836 1.00 0.00 C ATOM 1617 C GLY A 635 -13.304 0.653 -3.175 1.00 0.00 C ATOM 1618 O GLY A 635 -13.140 -0.196 -4.050 1.00 0.00 O ATOM 0 H GLY A 635 -13.709 -1.014 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 635 -12.263 1.516 -1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 635 -11.717 -0.093 -1.949 1.00 0.00 H new ATOM 1622 N LYS A 636 -14.092 1.711 -3.334 1.00 0.00 N ATOM 1623 CA LYS A 636 -14.822 1.942 -4.575 1.00 0.00 C ATOM 1624 C LYS A 636 -13.908 1.770 -5.784 1.00 0.00 C ATOM 1625 O LYS A 636 -12.848 2.389 -5.867 1.00 0.00 O ATOM 1626 CB LYS A 636 -15.430 3.347 -4.579 1.00 0.00 C ATOM 1627 CG LYS A 636 -14.396 4.457 -4.511 1.00 0.00 C ATOM 1628 CD LYS A 636 -15.052 5.828 -4.481 1.00 0.00 C ATOM 1629 CE LYS A 636 -14.019 6.942 -4.566 1.00 0.00 C ATOM 1630 NZ LYS A 636 -14.571 8.160 -5.220 1.00 0.00 N ATOM 0 H LYS A 636 -14.241 2.422 -2.619 1.00 0.00 H new ATOM 0 HA LYS A 636 -15.623 1.205 -4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 636 -16.027 3.473 -5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 636 -16.109 3.442 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 636 -13.780 4.328 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 636 -13.731 4.389 -5.372 1.00 0.00 H new ATOM 0 HD2 LYS A 636 -15.752 5.916 -5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 636 -15.630 5.936 -3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 636 -13.672 7.193 -3.564 1.00 0.00 H new ATOM 0 HE3 LYS A 636 -13.151 6.591 -5.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 636 -13.837 8.896 -5.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 636 -14.879 7.926 -6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 636 -15.383 8.510 -4.673 1.00 0.00 H new ATOM 1644 N SER A 637 -14.328 0.925 -6.721 1.00 0.00 N ATOM 1645 CA SER A 637 -13.546 0.670 -7.925 1.00 0.00 C ATOM 1646 C SER A 637 -14.149 1.389 -9.127 1.00 0.00 C ATOM 1647 O SER A 637 -15.031 0.860 -9.804 1.00 0.00 O ATOM 1648 CB SER A 637 -13.472 -0.834 -8.200 1.00 0.00 C ATOM 1649 OG SER A 637 -12.489 -1.453 -7.388 1.00 0.00 O ATOM 0 H SER A 637 -15.205 0.406 -6.669 1.00 0.00 H new ATOM 0 HA SER A 637 -12.539 1.053 -7.763 1.00 0.00 H new ATOM 0 HB2 SER A 637 -14.444 -1.290 -8.011 1.00 0.00 H new ATOM 0 HB3 SER A 637 -13.239 -1.004 -9.251 1.00 0.00 H new ATOM 0 HG SER A 637 -12.462 -2.413 -7.581 1.00 0.00 H new ATOM 1655 N GLY A 638 -13.667 2.600 -9.388 1.00 0.00 N ATOM 1656 CA GLY A 638 -14.169 3.373 -10.508 1.00 0.00 C ATOM 1657 C GLY A 638 -13.124 4.311 -11.080 1.00 0.00 C ATOM 1658 O GLY A 638 -13.153 5.521 -10.851 1.00 0.00 O ATOM 0 H GLY A 638 -12.937 3.060 -8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 638 -14.511 2.695 -11.290 1.00 0.00 H new ATOM 0 HA3 GLY A 638 -15.035 3.951 -10.187 1.00 0.00 H new ATOM 1662 N PRO A 639 -12.173 3.751 -11.843 1.00 0.00 N ATOM 1663 CA PRO A 639 -11.096 4.528 -12.462 1.00 0.00 C ATOM 1664 C PRO A 639 -11.559 5.265 -13.715 1.00 0.00 C ATOM 1665 O PRO A 639 -10.822 5.367 -14.695 1.00 0.00 O ATOM 1666 CB PRO A 639 -10.054 3.465 -12.823 1.00 0.00 C ATOM 1667 CG PRO A 639 -10.842 2.217 -13.025 1.00 0.00 C ATOM 1668 CD PRO A 639 -12.077 2.316 -12.157 1.00 0.00 C ATOM 0 HA PRO A 639 -10.720 5.305 -11.797 1.00 0.00 H new ATOM 0 HB2 PRO A 639 -9.506 3.738 -13.725 1.00 0.00 H new ATOM 0 HB3 PRO A 639 -9.319 3.345 -12.027 1.00 0.00 H new ATOM 0 HG2 PRO A 639 -11.118 2.103 -14.073 1.00 0.00 H new ATOM 0 HG3 PRO A 639 -10.251 1.342 -12.754 1.00 0.00 H new ATOM 0 HD2 PRO A 639 -12.964 1.961 -12.682 1.00 0.00 H new ATOM 0 HD3 PRO A 639 -11.980 1.715 -11.253 1.00 0.00 H new ATOM 1676 N SER A 640 -12.785 5.778 -13.675 1.00 0.00 N ATOM 1677 CA SER A 640 -13.348 6.503 -14.807 1.00 0.00 C ATOM 1678 C SER A 640 -12.326 7.469 -15.397 1.00 0.00 C ATOM 1679 O SER A 640 -11.840 8.370 -14.713 1.00 0.00 O ATOM 1680 CB SER A 640 -14.602 7.268 -14.378 1.00 0.00 C ATOM 1681 OG SER A 640 -15.326 7.733 -15.504 1.00 0.00 O ATOM 0 H SER A 640 -13.407 5.705 -12.870 1.00 0.00 H new ATOM 0 HA SER A 640 -13.619 5.776 -15.573 1.00 0.00 H new ATOM 0 HB2 SER A 640 -15.238 6.620 -13.775 1.00 0.00 H new ATOM 0 HB3 SER A 640 -14.319 8.112 -13.749 1.00 0.00 H new ATOM 0 HG SER A 640 -16.123 8.217 -15.203 1.00 0.00 H new ATOM 1687 N SER A 641 -12.001 7.273 -16.671 1.00 0.00 N ATOM 1688 CA SER A 641 -11.034 8.124 -17.353 1.00 0.00 C ATOM 1689 C SER A 641 -11.521 8.489 -18.751 1.00 0.00 C ATOM 1690 O SER A 641 -12.309 7.761 -19.356 1.00 0.00 O ATOM 1691 CB SER A 641 -9.678 7.421 -17.440 1.00 0.00 C ATOM 1692 OG SER A 641 -8.929 7.607 -16.251 1.00 0.00 O ATOM 0 H SER A 641 -12.394 6.532 -17.252 1.00 0.00 H new ATOM 0 HA SER A 641 -10.924 9.042 -16.776 1.00 0.00 H new ATOM 0 HB2 SER A 641 -9.828 6.356 -17.616 1.00 0.00 H new ATOM 0 HB3 SER A 641 -9.118 7.809 -18.291 1.00 0.00 H new ATOM 0 HG SER A 641 -8.068 7.147 -16.332 1.00 0.00 H new ATOM 1698 N GLY A 642 -11.046 9.622 -19.261 1.00 0.00 N ATOM 1699 CA GLY A 642 -11.444 10.065 -20.584 1.00 0.00 C ATOM 1700 C GLY A 642 -11.563 8.918 -21.568 1.00 0.00 C ATOM 1701 O GLY A 642 -12.667 8.502 -21.916 1.00 0.00 O ATOM 0 H GLY A 642 -10.392 10.241 -18.781 1.00 0.00 H new ATOM 0 HA2 GLY A 642 -12.400 10.583 -20.518 1.00 0.00 H new ATOM 0 HA3 GLY A 642 -10.716 10.785 -20.957 1.00 0.00 H new TER 1705 GLY A 642