USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 551 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 56 HIS : no HE2:sc= -18! C(o=-22!,f=-20!) USER MOD Set 1.2: A 58 TYR OH : rot 15:sc= -3.58 USER MOD Set 2.1: A 14 HIS : no HD1:sc= -2.18! C(o=-2.1!,f=-3.5!) USER MOD Set 2.2: A 21 GLN : amide:sc= 0.0617 K(o=-2.1,f=-3) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 74:sc= 1.23 USER MOD Single : A 26 HIS : no HD1:sc= -13.6! C(o=-14!,f=-11!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00114 USER MOD Single : A 36 THR OG1 : rot -94:sc= 1.6 USER MOD Single : A 44 SER OG : rot -5:sc= 0.311! USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= -0.986 USER MOD Single : A 65 HIS : no HE2:sc= -0.0378 X(o=-0.038,f=-0.39) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 110:sc= -1.32 USER MOD Single : A 84 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -5.487 9.878 -9.482 1.00 0.00 N ATOM 2 CA ALA A 8 -4.592 9.587 -10.633 1.00 0.00 C ATOM 3 C ALA A 8 -5.072 8.317 -11.330 1.00 0.00 C ATOM 4 O ALA A 8 -6.021 7.686 -10.908 1.00 0.00 O ATOM 5 CB ALA A 8 -3.169 9.388 -10.119 1.00 0.00 C ATOM 0 HA ALA A 8 -4.609 10.416 -11.340 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.506 9.174 -10.957 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.835 10.294 -9.614 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.149 8.553 -9.418 1.00 0.00 H new ATOM 11 N THR A 9 -4.424 7.936 -12.388 1.00 0.00 N ATOM 12 CA THR A 9 -4.834 6.709 -13.107 1.00 0.00 C ATOM 13 C THR A 9 -4.110 5.534 -12.479 1.00 0.00 C ATOM 14 O THR A 9 -2.963 5.644 -12.076 1.00 0.00 O ATOM 15 CB THR A 9 -4.480 6.829 -14.587 1.00 0.00 C ATOM 16 OG1 THR A 9 -5.571 6.372 -15.372 1.00 0.00 O ATOM 17 CG2 THR A 9 -3.240 5.991 -14.902 1.00 0.00 C ATOM 0 H THR A 9 -3.623 8.426 -12.787 1.00 0.00 H new ATOM 0 HA THR A 9 -5.912 6.564 -13.031 1.00 0.00 H new ATOM 0 HB THR A 9 -4.271 7.873 -14.819 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.346 6.450 -16.322 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.997 6.084 -15.960 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.400 6.345 -14.304 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.438 4.945 -14.666 1.00 0.00 H new ATOM 25 N LEU A 10 -4.791 4.429 -12.367 1.00 0.00 N ATOM 26 CA LEU A 10 -4.199 3.225 -11.730 1.00 0.00 C ATOM 27 C LEU A 10 -3.671 2.276 -12.803 1.00 0.00 C ATOM 28 O LEU A 10 -4.388 1.418 -13.280 1.00 0.00 O ATOM 29 CB LEU A 10 -5.290 2.499 -10.933 1.00 0.00 C ATOM 30 CG LEU A 10 -5.713 3.328 -9.716 1.00 0.00 C ATOM 31 CD1 LEU A 10 -6.279 4.683 -10.159 1.00 0.00 C ATOM 32 CD2 LEU A 10 -6.787 2.568 -8.934 1.00 0.00 C ATOM 0 H LEU A 10 -5.749 4.309 -12.696 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.382 3.529 -11.076 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.153 2.316 -11.572 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.923 1.526 -10.607 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.839 3.498 -9.087 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.574 5.258 -9.282 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.518 5.232 -10.713 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.148 4.523 -10.797 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.090 3.155 -8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.651 2.396 -9.576 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.386 1.611 -8.601 1.00 0.00 H new ATOM 44 N VAL A 11 -2.431 2.398 -13.180 1.00 0.00 N ATOM 45 CA VAL A 11 -1.894 1.471 -14.210 1.00 0.00 C ATOM 46 C VAL A 11 -1.070 0.391 -13.513 1.00 0.00 C ATOM 47 O VAL A 11 -0.084 0.675 -12.870 1.00 0.00 O ATOM 48 CB VAL A 11 -1.021 2.236 -15.198 1.00 0.00 C ATOM 49 CG1 VAL A 11 -0.518 1.272 -16.275 1.00 0.00 C ATOM 50 CG2 VAL A 11 -1.854 3.338 -15.857 1.00 0.00 C ATOM 0 H VAL A 11 -1.773 3.091 -12.824 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.717 1.013 -14.759 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.173 2.679 -14.675 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.107 1.814 -16.985 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.066 0.478 -15.809 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.369 0.836 -16.799 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.234 3.888 -16.565 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.697 2.891 -16.384 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.225 4.020 -15.092 1.00 0.00 H new ATOM 60 N GLY A 12 -1.471 -0.844 -13.625 1.00 0.00 N ATOM 61 CA GLY A 12 -0.709 -1.937 -12.957 1.00 0.00 C ATOM 62 C GLY A 12 -0.321 -2.997 -13.990 1.00 0.00 C ATOM 63 O GLY A 12 -0.876 -4.079 -14.002 1.00 0.00 O ATOM 0 H GLY A 12 -2.293 -1.145 -14.150 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.185 -1.533 -12.482 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.313 -2.386 -12.169 1.00 0.00 H new ATOM 67 N PRO A 13 0.625 -2.653 -14.825 1.00 0.00 N ATOM 68 CA PRO A 13 1.120 -3.552 -15.880 1.00 0.00 C ATOM 69 C PRO A 13 1.981 -4.686 -15.304 1.00 0.00 C ATOM 70 O PRO A 13 2.673 -4.530 -14.307 1.00 0.00 O ATOM 71 CB PRO A 13 1.943 -2.633 -16.786 1.00 0.00 C ATOM 72 CG PRO A 13 2.330 -1.411 -15.925 1.00 0.00 C ATOM 73 CD PRO A 13 1.286 -1.332 -14.794 1.00 0.00 C ATOM 0 HA PRO A 13 0.311 -4.054 -16.411 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.831 -3.145 -17.156 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.365 -2.327 -17.658 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.335 -1.524 -15.519 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.327 -0.499 -16.521 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.756 -1.144 -13.829 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.573 -0.525 -14.964 1.00 0.00 H new ATOM 81 N HIS A 14 1.923 -5.823 -15.954 1.00 0.00 N ATOM 82 CA HIS A 14 2.698 -7.026 -15.522 1.00 0.00 C ATOM 83 C HIS A 14 2.027 -8.278 -16.086 1.00 0.00 C ATOM 84 O HIS A 14 2.672 -9.256 -16.410 1.00 0.00 O ATOM 85 CB HIS A 14 2.724 -7.133 -13.996 1.00 0.00 C ATOM 86 CG HIS A 14 3.244 -8.484 -13.601 1.00 0.00 C ATOM 87 ND1 HIS A 14 2.421 -9.475 -13.093 1.00 0.00 N ATOM 88 CD2 HIS A 14 4.507 -9.024 -13.630 1.00 0.00 C ATOM 89 CE1 HIS A 14 3.189 -10.550 -12.838 1.00 0.00 C ATOM 90 NE2 HIS A 14 4.469 -10.328 -13.148 1.00 0.00 N ATOM 0 H HIS A 14 1.355 -5.970 -16.788 1.00 0.00 H new ATOM 0 HA HIS A 14 3.720 -6.934 -15.891 1.00 0.00 H new ATOM 0 HB2 HIS A 14 3.356 -6.351 -13.576 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.722 -6.984 -13.593 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.394 -8.514 -13.975 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.816 -11.479 -12.432 1.00 0.00 H new ATOM 0 HE2 HIS A 14 5.251 -10.976 -13.052 1.00 0.00 H new ATOM 98 N GLY A 15 0.732 -8.251 -16.186 1.00 0.00 N ATOM 99 CA GLY A 15 -0.014 -9.431 -16.704 1.00 0.00 C ATOM 100 C GLY A 15 -0.686 -10.125 -15.521 1.00 0.00 C ATOM 101 O GLY A 15 -1.125 -9.471 -14.596 1.00 0.00 O ATOM 0 H GLY A 15 0.150 -7.454 -15.929 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.759 -9.119 -17.435 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.664 -10.117 -17.212 1.00 0.00 H new ATOM 105 N PRO A 16 -0.731 -11.427 -15.569 1.00 0.00 N ATOM 106 CA PRO A 16 -1.328 -12.226 -14.492 1.00 0.00 C ATOM 107 C PRO A 16 -0.349 -12.294 -13.325 1.00 0.00 C ATOM 108 O PRO A 16 0.851 -12.278 -13.514 1.00 0.00 O ATOM 109 CB PRO A 16 -1.531 -13.599 -15.123 1.00 0.00 C ATOM 110 CG PRO A 16 -0.545 -13.677 -16.316 1.00 0.00 C ATOM 111 CD PRO A 16 -0.194 -12.222 -16.690 1.00 0.00 C ATOM 0 HA PRO A 16 -2.261 -11.818 -14.103 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.333 -14.392 -14.402 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.560 -13.724 -15.460 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.351 -14.234 -16.043 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.998 -14.196 -17.161 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.882 -12.086 -16.797 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.648 -11.933 -17.638 1.00 0.00 H new ATOM 119 N LEU A 17 -0.840 -12.359 -12.125 1.00 0.00 N ATOM 120 CA LEU A 17 0.081 -12.411 -10.961 1.00 0.00 C ATOM 121 C LEU A 17 -0.013 -13.774 -10.286 1.00 0.00 C ATOM 122 O LEU A 17 -1.001 -14.109 -9.668 1.00 0.00 O ATOM 123 CB LEU A 17 -0.294 -11.314 -9.963 1.00 0.00 C ATOM 124 CG LEU A 17 0.331 -9.991 -10.409 1.00 0.00 C ATOM 125 CD1 LEU A 17 -0.564 -8.829 -9.976 1.00 0.00 C ATOM 126 CD2 LEU A 17 1.713 -9.837 -9.766 1.00 0.00 C ATOM 0 H LEU A 17 -1.834 -12.378 -11.899 1.00 0.00 H new ATOM 0 HA LEU A 17 1.103 -12.254 -11.305 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.378 -11.216 -9.903 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.058 -11.578 -8.966 1.00 0.00 H new ATOM 0 HG LEU A 17 0.431 -9.986 -11.494 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.117 -7.887 -10.295 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.547 -8.937 -10.433 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.666 -8.833 -8.891 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.159 -8.894 -10.083 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.612 -9.843 -8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.353 -10.663 -10.076 1.00 0.00 H new ATOM 138 N ALA A 18 1.019 -14.559 -10.391 1.00 0.00 N ATOM 139 CA ALA A 18 1.002 -15.896 -9.742 1.00 0.00 C ATOM 140 C ALA A 18 1.630 -15.764 -8.356 1.00 0.00 C ATOM 141 O ALA A 18 2.218 -14.751 -8.029 1.00 0.00 O ATOM 142 CB ALA A 18 1.810 -16.886 -10.583 1.00 0.00 C ATOM 0 H ALA A 18 1.874 -14.333 -10.899 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.022 -16.261 -9.657 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.796 -17.866 -10.105 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.371 -16.961 -11.578 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.839 -16.537 -10.666 1.00 0.00 H new ATOM 148 N SER A 19 1.508 -16.769 -7.535 1.00 0.00 N ATOM 149 CA SER A 19 2.100 -16.683 -6.172 1.00 0.00 C ATOM 150 C SER A 19 3.614 -16.494 -6.285 1.00 0.00 C ATOM 151 O SER A 19 4.309 -17.297 -6.875 1.00 0.00 O ATOM 152 CB SER A 19 1.803 -17.970 -5.403 1.00 0.00 C ATOM 153 OG SER A 19 2.774 -18.132 -4.378 1.00 0.00 O ATOM 0 H SER A 19 1.026 -17.642 -7.748 1.00 0.00 H new ATOM 0 HA SER A 19 1.666 -15.836 -5.641 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.803 -17.928 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.823 -18.825 -6.079 1.00 0.00 H new ATOM 0 HG SER A 19 2.596 -17.495 -3.655 1.00 0.00 H new ATOM 159 N GLY A 20 4.129 -15.435 -5.722 1.00 0.00 N ATOM 160 CA GLY A 20 5.597 -15.190 -5.792 1.00 0.00 C ATOM 161 C GLY A 20 5.929 -14.434 -7.078 1.00 0.00 C ATOM 162 O GLY A 20 6.834 -14.796 -7.804 1.00 0.00 O ATOM 0 H GLY A 20 3.595 -14.728 -5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.922 -14.614 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.136 -16.137 -5.765 1.00 0.00 H new ATOM 166 N GLN A 21 5.198 -13.393 -7.374 1.00 0.00 N ATOM 167 CA GLN A 21 5.474 -12.625 -8.626 1.00 0.00 C ATOM 168 C GLN A 21 5.689 -11.136 -8.320 1.00 0.00 C ATOM 169 O GLN A 21 5.255 -10.621 -7.302 1.00 0.00 O ATOM 170 CB GLN A 21 4.295 -12.780 -9.586 1.00 0.00 C ATOM 171 CG GLN A 21 4.500 -14.031 -10.440 1.00 0.00 C ATOM 172 CD GLN A 21 4.822 -13.621 -11.877 1.00 0.00 C ATOM 173 OE1 GLN A 21 5.815 -12.966 -12.127 1.00 0.00 O ATOM 174 NE2 GLN A 21 4.016 -13.976 -12.841 1.00 0.00 N ATOM 0 H GLN A 21 4.426 -13.041 -6.808 1.00 0.00 H new ATOM 0 HA GLN A 21 6.382 -13.020 -9.081 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.363 -12.857 -9.026 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.212 -11.900 -10.224 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.312 -14.634 -10.032 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.603 -14.649 -10.419 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.182 -14.526 -12.632 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.220 -13.704 -13.803 1.00 0.00 H new ATOM 183 N LEU A 22 6.360 -10.448 -9.211 1.00 0.00 N ATOM 184 CA LEU A 22 6.627 -8.992 -9.023 1.00 0.00 C ATOM 185 C LEU A 22 5.864 -8.201 -10.087 1.00 0.00 C ATOM 186 O LEU A 22 6.269 -8.137 -11.231 1.00 0.00 O ATOM 187 CB LEU A 22 8.134 -8.741 -9.191 1.00 0.00 C ATOM 188 CG LEU A 22 8.536 -7.364 -8.630 1.00 0.00 C ATOM 189 CD1 LEU A 22 7.883 -6.237 -9.440 1.00 0.00 C ATOM 190 CD2 LEU A 22 8.098 -7.249 -7.169 1.00 0.00 C ATOM 0 H LEU A 22 6.739 -10.842 -10.072 1.00 0.00 H new ATOM 0 HA LEU A 22 6.304 -8.677 -8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.695 -9.523 -8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.399 -8.798 -10.247 1.00 0.00 H new ATOM 0 HG LEU A 22 9.620 -7.270 -8.700 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.180 -5.273 -9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.206 -6.302 -10.479 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.799 -6.334 -9.390 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.386 -6.273 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.016 -7.362 -7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.580 -8.031 -6.582 1.00 0.00 H new ATOM 202 N ALA A 23 4.776 -7.581 -9.726 1.00 0.00 N ATOM 203 CA ALA A 23 4.019 -6.781 -10.727 1.00 0.00 C ATOM 204 C ALA A 23 4.635 -5.383 -10.778 1.00 0.00 C ATOM 205 O ALA A 23 5.252 -4.952 -9.832 1.00 0.00 O ATOM 206 CB ALA A 23 2.551 -6.680 -10.312 1.00 0.00 C ATOM 0 H ALA A 23 4.380 -7.593 -8.786 1.00 0.00 H new ATOM 0 HA ALA A 23 4.071 -7.257 -11.706 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.004 -6.093 -11.050 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.120 -7.679 -10.252 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.481 -6.195 -9.338 1.00 0.00 H new ATOM 212 N ALA A 24 4.485 -4.662 -11.855 1.00 0.00 N ATOM 213 CA ALA A 24 5.089 -3.301 -11.897 1.00 0.00 C ATOM 214 C ALA A 24 3.977 -2.281 -12.123 1.00 0.00 C ATOM 215 O ALA A 24 3.399 -2.203 -13.183 1.00 0.00 O ATOM 216 CB ALA A 24 6.131 -3.246 -13.013 1.00 0.00 C ATOM 0 H ALA A 24 3.980 -4.949 -12.693 1.00 0.00 H new ATOM 0 HA ALA A 24 5.589 -3.070 -10.957 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.575 -2.251 -13.047 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.909 -3.985 -12.821 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.653 -3.463 -13.968 1.00 0.00 H new ATOM 222 N PHE A 25 3.651 -1.532 -11.105 1.00 0.00 N ATOM 223 CA PHE A 25 2.541 -0.539 -11.196 1.00 0.00 C ATOM 224 C PHE A 25 3.059 0.864 -11.537 1.00 0.00 C ATOM 225 O PHE A 25 4.239 1.152 -11.459 1.00 0.00 O ATOM 226 CB PHE A 25 1.854 -0.437 -9.833 1.00 0.00 C ATOM 227 CG PHE A 25 1.184 -1.734 -9.436 1.00 0.00 C ATOM 228 CD1 PHE A 25 1.911 -2.934 -9.358 1.00 0.00 C ATOM 229 CD2 PHE A 25 -0.177 -1.723 -9.111 1.00 0.00 C ATOM 230 CE1 PHE A 25 1.267 -4.111 -8.962 1.00 0.00 C ATOM 231 CE2 PHE A 25 -0.814 -2.901 -8.712 1.00 0.00 C ATOM 232 CZ PHE A 25 -0.093 -4.095 -8.638 1.00 0.00 C ATOM 0 H PHE A 25 4.115 -1.567 -10.197 1.00 0.00 H new ATOM 0 HA PHE A 25 1.862 -0.878 -11.979 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.589 -0.163 -9.076 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.112 0.361 -9.860 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.963 -2.948 -9.603 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.737 -0.801 -9.169 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.822 -5.036 -8.906 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.864 -2.888 -8.461 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.586 -5.006 -8.331 1.00 0.00 H new ATOM 242 N HIS A 26 2.148 1.748 -11.861 1.00 0.00 N ATOM 243 CA HIS A 26 2.513 3.159 -12.160 1.00 0.00 C ATOM 244 C HIS A 26 1.233 4.012 -12.096 1.00 0.00 C ATOM 245 O HIS A 26 0.161 3.581 -12.486 1.00 0.00 O ATOM 246 CB HIS A 26 3.208 3.256 -13.531 1.00 0.00 C ATOM 247 CG HIS A 26 2.260 3.690 -14.616 1.00 0.00 C ATOM 248 ND1 HIS A 26 2.068 2.940 -15.765 1.00 0.00 N ATOM 249 CD2 HIS A 26 1.494 4.814 -14.772 1.00 0.00 C ATOM 250 CE1 HIS A 26 1.218 3.621 -16.555 1.00 0.00 C ATOM 251 NE2 HIS A 26 0.838 4.772 -15.997 1.00 0.00 N ATOM 0 H HIS A 26 1.151 1.544 -11.931 1.00 0.00 H new ATOM 0 HA HIS A 26 3.224 3.535 -11.424 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.035 3.963 -13.469 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.636 2.287 -13.790 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.412 5.614 -14.051 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.884 3.278 -17.523 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.204 5.470 -16.385 1.00 0.00 H new ATOM 259 N ILE A 27 1.334 5.204 -11.566 1.00 0.00 N ATOM 260 CA ILE A 27 0.132 6.086 -11.427 1.00 0.00 C ATOM 261 C ILE A 27 0.223 7.232 -12.434 1.00 0.00 C ATOM 262 O ILE A 27 1.301 7.620 -12.838 1.00 0.00 O ATOM 263 CB ILE A 27 0.103 6.647 -10.001 1.00 0.00 C ATOM 264 CG1 ILE A 27 0.621 5.586 -9.044 1.00 0.00 C ATOM 265 CG2 ILE A 27 -1.326 7.000 -9.597 1.00 0.00 C ATOM 266 CD1 ILE A 27 -0.256 4.345 -9.173 1.00 0.00 C ATOM 0 H ILE A 27 2.204 5.609 -11.220 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.778 5.518 -11.620 1.00 0.00 H new ATOM 0 HB ILE A 27 0.723 7.543 -9.962 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.658 5.342 -9.275 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.601 5.958 -8.020 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.330 7.397 -8.582 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.723 7.750 -10.281 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.947 6.105 -9.639 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.103 3.573 -8.492 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.286 4.600 -8.922 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.213 3.974 -10.197 1.00 0.00 H new ATOM 278 N ALA A 28 -0.889 7.771 -12.865 1.00 0.00 N ATOM 279 CA ALA A 28 -0.811 8.882 -13.870 1.00 0.00 C ATOM 280 C ALA A 28 -1.754 10.045 -13.522 1.00 0.00 C ATOM 281 O ALA A 28 -2.952 9.886 -13.453 1.00 0.00 O ATOM 282 CB ALA A 28 -1.213 8.341 -15.237 1.00 0.00 C ATOM 0 H ALA A 28 -1.829 7.500 -12.575 1.00 0.00 H new ATOM 0 HA ALA A 28 0.213 9.256 -13.869 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.160 9.141 -15.975 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.535 7.537 -15.524 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.232 7.957 -15.191 1.00 0.00 H new ATOM 288 N ALA A 29 -1.221 11.227 -13.356 1.00 0.00 N ATOM 289 CA ALA A 29 -2.086 12.413 -13.066 1.00 0.00 C ATOM 290 C ALA A 29 -1.208 13.669 -12.976 1.00 0.00 C ATOM 291 O ALA A 29 -1.307 14.539 -13.819 1.00 0.00 O ATOM 292 CB ALA A 29 -2.865 12.210 -11.765 1.00 0.00 C ATOM 0 H ALA A 29 -0.222 11.424 -13.409 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.809 12.534 -13.873 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.487 13.084 -11.573 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.497 11.327 -11.854 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.166 12.074 -10.940 1.00 0.00 H new ATOM 298 N PRO A 30 -0.359 13.730 -11.975 1.00 0.00 N ATOM 299 CA PRO A 30 0.557 14.871 -11.792 1.00 0.00 C ATOM 300 C PRO A 30 1.779 14.685 -12.698 1.00 0.00 C ATOM 301 O PRO A 30 2.883 14.563 -12.223 1.00 0.00 O ATOM 302 CB PRO A 30 0.952 14.778 -10.315 1.00 0.00 C ATOM 303 CG PRO A 30 0.716 13.309 -9.888 1.00 0.00 C ATOM 304 CD PRO A 30 -0.229 12.688 -10.932 1.00 0.00 C ATOM 0 HA PRO A 30 0.118 15.837 -12.044 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.995 15.060 -10.174 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.353 15.459 -9.710 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.658 12.763 -9.846 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.276 13.262 -8.892 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.182 11.765 -11.341 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.196 12.440 -10.495 1.00 0.00 H new ATOM 312 N LEU A 31 1.553 14.644 -13.994 1.00 0.00 N ATOM 313 CA LEU A 31 2.642 14.435 -15.016 1.00 0.00 C ATOM 314 C LEU A 31 4.059 14.490 -14.416 1.00 0.00 C ATOM 315 O LEU A 31 4.744 13.487 -14.400 1.00 0.00 O ATOM 316 CB LEU A 31 2.501 15.478 -16.129 1.00 0.00 C ATOM 317 CG LEU A 31 1.949 14.803 -17.387 1.00 0.00 C ATOM 318 CD1 LEU A 31 0.428 14.678 -17.276 1.00 0.00 C ATOM 319 CD2 LEU A 31 2.304 15.648 -18.613 1.00 0.00 C ATOM 0 H LEU A 31 0.624 14.751 -14.402 1.00 0.00 H new ATOM 0 HA LEU A 31 2.517 13.429 -15.417 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.835 16.279 -15.810 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.468 15.933 -16.341 1.00 0.00 H new ATOM 0 HG LEU A 31 2.387 13.810 -17.489 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.036 14.197 -18.172 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.175 14.078 -16.402 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.012 15.670 -17.174 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.912 15.170 -19.511 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.866 16.641 -18.510 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.387 15.736 -18.693 1.00 0.00 H new ATOM 331 N PRO A 32 4.474 15.643 -13.949 1.00 0.00 N ATOM 332 CA PRO A 32 5.818 15.808 -13.360 1.00 0.00 C ATOM 333 C PRO A 32 5.867 15.248 -11.928 1.00 0.00 C ATOM 334 O PRO A 32 6.006 15.987 -10.978 1.00 0.00 O ATOM 335 CB PRO A 32 6.020 17.326 -13.355 1.00 0.00 C ATOM 336 CG PRO A 32 4.606 17.955 -13.395 1.00 0.00 C ATOM 337 CD PRO A 32 3.661 16.880 -13.958 1.00 0.00 C ATOM 0 HA PRO A 32 6.590 15.275 -13.914 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.561 17.643 -12.463 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.610 17.642 -14.215 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.291 18.264 -12.398 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.596 18.846 -14.023 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.767 16.774 -13.343 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.328 17.130 -14.965 1.00 0.00 H new ATOM 345 N VAL A 33 5.765 13.953 -11.760 1.00 0.00 N ATOM 346 CA VAL A 33 5.816 13.377 -10.380 1.00 0.00 C ATOM 347 C VAL A 33 7.257 13.023 -10.018 1.00 0.00 C ATOM 348 O VAL A 33 8.049 12.654 -10.863 1.00 0.00 O ATOM 349 CB VAL A 33 4.967 12.105 -10.301 1.00 0.00 C ATOM 350 CG1 VAL A 33 4.686 11.770 -8.836 1.00 0.00 C ATOM 351 CG2 VAL A 33 3.644 12.326 -11.021 1.00 0.00 C ATOM 0 H VAL A 33 5.649 13.274 -12.512 1.00 0.00 H new ATOM 0 HA VAL A 33 5.426 14.120 -9.685 1.00 0.00 H new ATOM 0 HB VAL A 33 5.508 11.284 -10.772 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.082 10.865 -8.779 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.628 11.611 -8.312 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.147 12.596 -8.371 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.042 11.419 -10.963 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.106 13.149 -10.550 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.835 12.569 -12.066 1.00 0.00 H new ATOM 361 N THR A 34 7.596 13.128 -8.763 1.00 0.00 N ATOM 362 CA THR A 34 8.979 12.791 -8.328 1.00 0.00 C ATOM 363 C THR A 34 8.957 11.564 -7.414 1.00 0.00 C ATOM 364 O THR A 34 9.970 10.926 -7.204 1.00 0.00 O ATOM 365 CB THR A 34 9.583 13.983 -7.580 1.00 0.00 C ATOM 366 OG1 THR A 34 8.599 14.546 -6.722 1.00 0.00 O ATOM 367 CG2 THR A 34 10.047 15.037 -8.588 1.00 0.00 C ATOM 0 H THR A 34 6.971 13.434 -8.017 1.00 0.00 H new ATOM 0 HA THR A 34 9.586 12.567 -9.205 1.00 0.00 H new ATOM 0 HB THR A 34 10.436 13.650 -6.988 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.983 15.308 -6.240 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.477 15.885 -8.055 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.799 14.604 -9.247 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.196 15.374 -9.180 1.00 0.00 H new ATOM 375 N ALA A 35 7.822 11.231 -6.866 1.00 0.00 N ATOM 376 CA ALA A 35 7.748 10.047 -5.970 1.00 0.00 C ATOM 377 C ALA A 35 6.308 9.831 -5.493 1.00 0.00 C ATOM 378 O ALA A 35 5.534 10.761 -5.376 1.00 0.00 O ATOM 379 CB ALA A 35 8.639 10.305 -4.763 1.00 0.00 C ATOM 0 H ALA A 35 6.942 11.729 -7.001 1.00 0.00 H new ATOM 0 HA ALA A 35 8.076 9.159 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.599 9.447 -4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.666 10.459 -5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.291 11.194 -4.237 1.00 0.00 H new ATOM 385 N THR A 36 5.957 8.611 -5.187 1.00 0.00 N ATOM 386 CA THR A 36 4.582 8.328 -4.679 1.00 0.00 C ATOM 387 C THR A 36 4.680 7.279 -3.572 1.00 0.00 C ATOM 388 O THR A 36 5.453 6.346 -3.659 1.00 0.00 O ATOM 389 CB THR A 36 3.672 7.790 -5.791 1.00 0.00 C ATOM 390 OG1 THR A 36 2.878 6.733 -5.274 1.00 0.00 O ATOM 391 CG2 THR A 36 4.498 7.277 -6.965 1.00 0.00 C ATOM 0 H THR A 36 6.564 7.795 -5.267 1.00 0.00 H new ATOM 0 HA THR A 36 4.152 9.257 -4.305 1.00 0.00 H new ATOM 0 HB THR A 36 3.034 8.600 -6.144 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.320 5.876 -5.448 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.832 6.900 -7.741 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.102 8.090 -7.368 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.152 6.473 -6.626 1.00 0.00 H new ATOM 399 N ARG A 37 3.908 7.419 -2.531 1.00 0.00 N ATOM 400 CA ARG A 37 3.966 6.423 -1.431 1.00 0.00 C ATOM 401 C ARG A 37 2.901 5.353 -1.660 1.00 0.00 C ATOM 402 O ARG A 37 1.724 5.587 -1.491 1.00 0.00 O ATOM 403 CB ARG A 37 3.728 7.117 -0.092 1.00 0.00 C ATOM 404 CG ARG A 37 5.070 7.299 0.618 1.00 0.00 C ATOM 405 CD ARG A 37 4.833 7.706 2.073 1.00 0.00 C ATOM 406 NE ARG A 37 4.737 9.191 2.161 1.00 0.00 N ATOM 407 CZ ARG A 37 5.821 9.927 2.235 1.00 0.00 C ATOM 408 NH1 ARG A 37 7.002 9.399 2.043 1.00 0.00 N ATOM 409 NH2 ARG A 37 5.719 11.201 2.500 1.00 0.00 N ATOM 0 H ARG A 37 3.241 8.179 -2.396 1.00 0.00 H new ATOM 0 HA ARG A 37 4.950 5.955 -1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.250 8.084 -0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.053 6.524 0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.642 6.372 0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.661 8.060 0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.917 7.248 2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.648 7.345 2.701 1.00 0.00 H new ATOM 0 HE ARG A 37 3.821 9.639 2.164 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.088 8.405 1.833 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.837 9.982 2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.801 11.619 2.648 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.558 11.778 2.559 1.00 0.00 H new ATOM 423 N TRP A 38 3.307 4.176 -2.040 1.00 0.00 N ATOM 424 CA TRP A 38 2.315 3.089 -2.280 1.00 0.00 C ATOM 425 C TRP A 38 2.102 2.303 -0.995 1.00 0.00 C ATOM 426 O TRP A 38 2.720 2.551 0.021 1.00 0.00 O ATOM 427 CB TRP A 38 2.835 2.109 -3.328 1.00 0.00 C ATOM 428 CG TRP A 38 3.093 2.795 -4.623 1.00 0.00 C ATOM 429 CD1 TRP A 38 3.982 3.793 -4.818 1.00 0.00 C ATOM 430 CD2 TRP A 38 2.482 2.527 -5.910 1.00 0.00 C ATOM 431 NE1 TRP A 38 3.962 4.147 -6.153 1.00 0.00 N ATOM 432 CE2 TRP A 38 3.054 3.395 -6.868 1.00 0.00 C ATOM 433 CE3 TRP A 38 1.498 1.619 -6.338 1.00 0.00 C ATOM 434 CZ2 TRP A 38 2.668 3.361 -8.202 1.00 0.00 C ATOM 435 CZ3 TRP A 38 1.103 1.585 -7.680 1.00 0.00 C ATOM 436 CH2 TRP A 38 1.689 2.454 -8.611 1.00 0.00 C ATOM 0 H TRP A 38 4.281 3.918 -2.195 1.00 0.00 H new ATOM 0 HA TRP A 38 1.388 3.549 -2.621 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.753 1.643 -2.971 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.109 1.310 -3.475 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.605 4.240 -4.057 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.548 4.876 -6.560 1.00 0.00 H new ATOM 0 HE3 TRP A 38 1.044 0.944 -5.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.122 4.031 -8.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.344 0.887 -8.000 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.383 2.422 -9.646 1.00 0.00 H new ATOM 447 N ASP A 39 1.254 1.331 -1.062 1.00 0.00 N ATOM 448 CA ASP A 39 1.007 0.460 0.106 1.00 0.00 C ATOM 449 C ASP A 39 0.603 -0.898 -0.444 1.00 0.00 C ATOM 450 O ASP A 39 -0.503 -1.084 -0.909 1.00 0.00 O ATOM 451 CB ASP A 39 -0.101 1.036 0.985 1.00 0.00 C ATOM 452 CG ASP A 39 0.456 1.294 2.385 1.00 0.00 C ATOM 453 OD1 ASP A 39 0.468 0.365 3.176 1.00 0.00 O ATOM 454 OD2 ASP A 39 0.866 2.414 2.641 1.00 0.00 O ATOM 0 H ASP A 39 0.710 1.097 -1.893 1.00 0.00 H new ATOM 0 HA ASP A 39 1.898 0.381 0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.480 1.963 0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.940 0.342 1.036 1.00 0.00 H new ATOM 459 N PHE A 40 1.500 -1.841 -0.442 1.00 0.00 N ATOM 460 CA PHE A 40 1.150 -3.166 -1.021 1.00 0.00 C ATOM 461 C PHE A 40 0.351 -3.983 -0.013 1.00 0.00 C ATOM 462 O PHE A 40 -0.764 -4.387 -0.273 1.00 0.00 O ATOM 463 CB PHE A 40 2.408 -3.949 -1.410 1.00 0.00 C ATOM 464 CG PHE A 40 3.406 -3.082 -2.148 1.00 0.00 C ATOM 465 CD1 PHE A 40 3.006 -1.892 -2.771 1.00 0.00 C ATOM 466 CD2 PHE A 40 4.744 -3.491 -2.224 1.00 0.00 C ATOM 467 CE1 PHE A 40 3.943 -1.117 -3.464 1.00 0.00 C ATOM 468 CE2 PHE A 40 5.675 -2.716 -2.917 1.00 0.00 C ATOM 469 CZ PHE A 40 5.276 -1.530 -3.536 1.00 0.00 C ATOM 0 H PHE A 40 2.446 -1.756 -0.071 1.00 0.00 H new ATOM 0 HA PHE A 40 0.553 -2.990 -1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.874 -4.356 -0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.129 -4.796 -2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.976 -1.573 -2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.055 -4.408 -1.745 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.636 -0.199 -3.943 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.705 -3.034 -2.975 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.998 -0.931 -4.071 1.00 0.00 H new ATOM 479 N GLY A 41 0.916 -4.249 1.130 1.00 0.00 N ATOM 480 CA GLY A 41 0.188 -5.061 2.143 1.00 0.00 C ATOM 481 C GLY A 41 0.529 -6.541 1.940 1.00 0.00 C ATOM 482 O GLY A 41 -0.175 -7.419 2.401 1.00 0.00 O ATOM 0 H GLY A 41 1.848 -3.940 1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.467 -4.746 3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.887 -4.906 2.047 1.00 0.00 H new ATOM 486 N ASP A 42 1.619 -6.821 1.275 1.00 0.00 N ATOM 487 CA ASP A 42 2.035 -8.231 1.062 1.00 0.00 C ATOM 488 C ASP A 42 3.237 -8.479 1.966 1.00 0.00 C ATOM 489 O ASP A 42 3.105 -8.573 3.171 1.00 0.00 O ATOM 490 CB ASP A 42 2.400 -8.453 -0.419 1.00 0.00 C ATOM 491 CG ASP A 42 3.062 -7.198 -1.021 1.00 0.00 C ATOM 492 OD1 ASP A 42 3.827 -6.546 -0.324 1.00 0.00 O ATOM 493 OD2 ASP A 42 2.805 -6.919 -2.179 1.00 0.00 O ATOM 0 H ASP A 42 2.242 -6.123 0.868 1.00 0.00 H new ATOM 0 HA ASP A 42 1.230 -8.925 1.304 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.077 -9.303 -0.507 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.502 -8.701 -0.985 1.00 0.00 H new ATOM 498 N GLY A 43 4.410 -8.525 1.417 1.00 0.00 N ATOM 499 CA GLY A 43 5.609 -8.694 2.265 1.00 0.00 C ATOM 500 C GLY A 43 5.998 -7.314 2.804 1.00 0.00 C ATOM 501 O GLY A 43 6.696 -7.195 3.791 1.00 0.00 O ATOM 0 H GLY A 43 4.590 -8.453 0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.403 -9.381 3.086 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.428 -9.124 1.688 1.00 0.00 H new ATOM 505 N SER A 44 5.533 -6.264 2.162 1.00 0.00 N ATOM 506 CA SER A 44 5.859 -4.888 2.635 1.00 0.00 C ATOM 507 C SER A 44 4.586 -4.030 2.616 1.00 0.00 C ATOM 508 O SER A 44 3.859 -3.993 1.641 1.00 0.00 O ATOM 509 CB SER A 44 6.915 -4.270 1.715 1.00 0.00 C ATOM 510 OG SER A 44 6.281 -3.715 0.570 1.00 0.00 O ATOM 0 H SER A 44 4.942 -6.307 1.332 1.00 0.00 H new ATOM 0 HA SER A 44 6.250 -4.931 3.652 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.469 -3.497 2.248 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.637 -5.028 1.412 1.00 0.00 H new ATOM 0 HG SER A 44 5.325 -3.928 0.590 1.00 0.00 H new ATOM 516 N ALA A 45 4.304 -3.351 3.693 1.00 0.00 N ATOM 517 CA ALA A 45 3.078 -2.506 3.738 1.00 0.00 C ATOM 518 C ALA A 45 3.343 -1.165 3.050 1.00 0.00 C ATOM 519 O ALA A 45 3.079 -0.993 1.871 1.00 0.00 O ATOM 520 CB ALA A 45 2.673 -2.277 5.197 1.00 0.00 C ATOM 0 H ALA A 45 4.868 -3.345 4.543 1.00 0.00 H new ATOM 0 HA ALA A 45 2.268 -3.014 3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.776 -1.659 5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.472 -3.236 5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.483 -1.773 5.724 1.00 0.00 H new ATOM 526 N GLU A 46 3.858 -0.221 3.794 1.00 0.00 N ATOM 527 CA GLU A 46 4.155 1.137 3.239 1.00 0.00 C ATOM 528 C GLU A 46 5.113 1.022 2.051 1.00 0.00 C ATOM 529 O GLU A 46 5.879 0.084 1.949 1.00 0.00 O ATOM 530 CB GLU A 46 4.802 2.003 4.326 1.00 0.00 C ATOM 531 CG GLU A 46 5.931 1.221 5.006 1.00 0.00 C ATOM 532 CD GLU A 46 6.942 2.199 5.608 1.00 0.00 C ATOM 533 OE1 GLU A 46 6.565 3.330 5.865 1.00 0.00 O ATOM 534 OE2 GLU A 46 8.078 1.798 5.804 1.00 0.00 O ATOM 0 H GLU A 46 4.090 -0.334 4.781 1.00 0.00 H new ATOM 0 HA GLU A 46 3.223 1.595 2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.195 2.920 3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.055 2.297 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.523 0.578 5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.424 0.572 4.283 1.00 0.00 H new ATOM 541 N VAL A 47 5.058 1.960 1.140 1.00 0.00 N ATOM 542 CA VAL A 47 5.946 1.889 -0.055 1.00 0.00 C ATOM 543 C VAL A 47 6.471 3.271 -0.437 1.00 0.00 C ATOM 544 O VAL A 47 5.713 4.190 -0.662 1.00 0.00 O ATOM 545 CB VAL A 47 5.141 1.360 -1.234 1.00 0.00 C ATOM 546 CG1 VAL A 47 6.066 1.144 -2.426 1.00 0.00 C ATOM 547 CG2 VAL A 47 4.485 0.037 -0.858 1.00 0.00 C ATOM 0 H VAL A 47 4.438 2.769 1.173 1.00 0.00 H new ATOM 0 HA VAL A 47 6.786 1.238 0.185 1.00 0.00 H new ATOM 0 HB VAL A 47 4.370 2.085 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.489 0.765 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.533 2.090 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.838 0.422 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.910 -0.338 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.254 -0.688 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.821 0.189 -0.007 1.00 0.00 H new ATOM 557 N ASP A 48 7.762 3.405 -0.566 1.00 0.00 N ATOM 558 CA ASP A 48 8.346 4.707 -0.994 1.00 0.00 C ATOM 559 C ASP A 48 8.788 4.550 -2.450 1.00 0.00 C ATOM 560 O ASP A 48 9.881 4.098 -2.733 1.00 0.00 O ATOM 561 CB ASP A 48 9.553 5.050 -0.116 1.00 0.00 C ATOM 562 CG ASP A 48 9.252 6.302 0.708 1.00 0.00 C ATOM 563 OD1 ASP A 48 8.573 7.178 0.198 1.00 0.00 O ATOM 564 OD2 ASP A 48 9.709 6.367 1.838 1.00 0.00 O ATOM 0 H ASP A 48 8.441 2.664 -0.392 1.00 0.00 H new ATOM 0 HA ASP A 48 7.615 5.510 -0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.783 4.214 0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.432 5.215 -0.738 1.00 0.00 H new ATOM 569 N ALA A 49 7.929 4.874 -3.377 1.00 0.00 N ATOM 570 CA ALA A 49 8.279 4.694 -4.816 1.00 0.00 C ATOM 571 C ALA A 49 8.809 5.989 -5.435 1.00 0.00 C ATOM 572 O ALA A 49 8.504 7.081 -4.993 1.00 0.00 O ATOM 573 CB ALA A 49 7.032 4.257 -5.575 1.00 0.00 C ATOM 0 H ALA A 49 7.000 5.256 -3.201 1.00 0.00 H new ATOM 0 HA ALA A 49 9.063 3.940 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.276 4.122 -6.629 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.667 3.316 -5.164 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.260 5.020 -5.476 1.00 0.00 H new ATOM 579 N ALA A 50 9.595 5.857 -6.475 1.00 0.00 N ATOM 580 CA ALA A 50 10.159 7.052 -7.164 1.00 0.00 C ATOM 581 C ALA A 50 9.235 7.455 -8.319 1.00 0.00 C ATOM 582 O ALA A 50 8.514 6.633 -8.874 1.00 0.00 O ATOM 583 CB ALA A 50 11.546 6.718 -7.717 1.00 0.00 C ATOM 0 H ALA A 50 9.871 4.961 -6.878 1.00 0.00 H new ATOM 0 HA ALA A 50 10.240 7.875 -6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.957 7.593 -8.221 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.204 6.428 -6.898 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.466 5.895 -8.427 1.00 0.00 H new ATOM 589 N GLY A 51 9.246 8.719 -8.677 1.00 0.00 N ATOM 590 CA GLY A 51 8.366 9.200 -9.779 1.00 0.00 C ATOM 591 C GLY A 51 6.966 8.651 -9.545 1.00 0.00 C ATOM 592 O GLY A 51 6.631 8.282 -8.440 1.00 0.00 O ATOM 0 H GLY A 51 9.831 9.437 -8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.348 10.290 -9.803 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.749 8.867 -10.744 1.00 0.00 H new ATOM 596 N PRO A 52 6.196 8.591 -10.587 1.00 0.00 N ATOM 597 CA PRO A 52 4.840 8.048 -10.519 1.00 0.00 C ATOM 598 C PRO A 52 4.871 6.529 -10.757 1.00 0.00 C ATOM 599 O PRO A 52 4.025 6.003 -11.452 1.00 0.00 O ATOM 600 CB PRO A 52 4.132 8.736 -11.687 1.00 0.00 C ATOM 601 CG PRO A 52 5.241 9.154 -12.687 1.00 0.00 C ATOM 602 CD PRO A 52 6.579 9.094 -11.920 1.00 0.00 C ATOM 0 HA PRO A 52 4.357 8.214 -9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.417 8.062 -12.159 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.571 9.605 -11.343 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.258 8.485 -13.547 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.059 10.159 -13.068 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.291 8.430 -12.409 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.049 10.075 -11.858 1.00 0.00 H new ATOM 610 N ALA A 53 5.837 5.803 -10.227 1.00 0.00 N ATOM 611 CA ALA A 53 5.847 4.332 -10.509 1.00 0.00 C ATOM 612 C ALA A 53 6.358 3.517 -9.315 1.00 0.00 C ATOM 613 O ALA A 53 7.159 3.975 -8.526 1.00 0.00 O ATOM 614 CB ALA A 53 6.746 4.062 -11.718 1.00 0.00 C ATOM 0 H ALA A 53 6.590 6.152 -9.634 1.00 0.00 H new ATOM 0 HA ALA A 53 4.820 4.024 -10.708 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.759 2.993 -11.930 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.361 4.599 -12.585 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.759 4.401 -11.501 1.00 0.00 H new ATOM 620 N ALA A 54 5.903 2.291 -9.210 1.00 0.00 N ATOM 621 CA ALA A 54 6.345 1.384 -8.103 1.00 0.00 C ATOM 622 C ALA A 54 5.942 -0.041 -8.468 1.00 0.00 C ATOM 623 O ALA A 54 5.029 -0.247 -9.232 1.00 0.00 O ATOM 624 CB ALA A 54 5.664 1.770 -6.792 1.00 0.00 C ATOM 0 H ALA A 54 5.233 1.874 -9.856 1.00 0.00 H new ATOM 0 HA ALA A 54 7.424 1.466 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.997 1.101 -5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.926 2.796 -6.535 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.583 1.689 -6.906 1.00 0.00 H new ATOM 630 N SER A 55 6.605 -1.028 -7.935 1.00 0.00 N ATOM 631 CA SER A 55 6.232 -2.431 -8.278 1.00 0.00 C ATOM 632 C SER A 55 5.692 -3.150 -7.043 1.00 0.00 C ATOM 633 O SER A 55 5.912 -2.735 -5.926 1.00 0.00 O ATOM 634 CB SER A 55 7.452 -3.173 -8.808 1.00 0.00 C ATOM 635 OG SER A 55 8.520 -2.254 -8.994 1.00 0.00 O ATOM 0 H SER A 55 7.382 -0.928 -7.282 1.00 0.00 H new ATOM 0 HA SER A 55 5.457 -2.412 -9.045 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.748 -3.955 -8.108 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.211 -3.664 -9.751 1.00 0.00 H new ATOM 0 HG SER A 55 9.306 -2.731 -9.333 1.00 0.00 H new ATOM 641 N HIS A 56 4.977 -4.223 -7.244 1.00 0.00 N ATOM 642 CA HIS A 56 4.397 -4.973 -6.096 1.00 0.00 C ATOM 643 C HIS A 56 5.023 -6.362 -5.994 1.00 0.00 C ATOM 644 O HIS A 56 5.224 -7.040 -6.983 1.00 0.00 O ATOM 645 CB HIS A 56 2.899 -5.131 -6.317 1.00 0.00 C ATOM 646 CG HIS A 56 2.167 -4.023 -5.620 1.00 0.00 C ATOM 647 ND1 HIS A 56 2.171 -2.716 -6.083 1.00 0.00 N ATOM 648 CD2 HIS A 56 1.390 -4.019 -4.496 1.00 0.00 C ATOM 649 CE1 HIS A 56 1.411 -1.990 -5.242 1.00 0.00 C ATOM 650 NE2 HIS A 56 0.909 -2.739 -4.260 1.00 0.00 N ATOM 0 H HIS A 56 4.769 -4.615 -8.162 1.00 0.00 H new ATOM 0 HA HIS A 56 4.597 -4.422 -5.177 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.675 -5.114 -7.384 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.565 -6.096 -5.937 1.00 0.00 H new ATOM 0 HD1 HIS A 56 2.660 -2.369 -6.908 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.181 -4.883 -3.883 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.230 -0.931 -5.350 1.00 0.00 H new ATOM 658 N ARG A 57 5.304 -6.799 -4.798 1.00 0.00 N ATOM 659 CA ARG A 57 5.896 -8.153 -4.610 1.00 0.00 C ATOM 660 C ARG A 57 4.864 -9.043 -3.916 1.00 0.00 C ATOM 661 O ARG A 57 4.733 -9.035 -2.709 1.00 0.00 O ATOM 662 CB ARG A 57 7.169 -8.058 -3.756 1.00 0.00 C ATOM 663 CG ARG A 57 6.909 -7.213 -2.504 1.00 0.00 C ATOM 664 CD ARG A 57 7.941 -6.085 -2.421 1.00 0.00 C ATOM 665 NE ARG A 57 7.733 -5.125 -3.543 1.00 0.00 N ATOM 666 CZ ARG A 57 8.699 -4.320 -3.898 1.00 0.00 C ATOM 667 NH1 ARG A 57 9.250 -3.533 -3.015 1.00 0.00 N ATOM 668 NH2 ARG A 57 9.109 -4.300 -5.137 1.00 0.00 N ATOM 0 H ARG A 57 5.148 -6.273 -3.938 1.00 0.00 H new ATOM 0 HA ARG A 57 6.162 -8.579 -5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.496 -9.057 -3.467 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.975 -7.615 -4.341 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.902 -6.797 -2.537 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.966 -7.838 -1.613 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.851 -5.567 -1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.949 -6.498 -2.466 1.00 0.00 H new ATOM 0 HE ARG A 57 6.838 -5.097 -4.032 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.927 -3.546 -2.048 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.004 -2.905 -3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.675 -4.913 -5.828 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.863 -3.672 -5.415 1.00 0.00 H new ATOM 682 N TYR A 58 4.119 -9.803 -4.671 1.00 0.00 N ATOM 683 CA TYR A 58 3.085 -10.676 -4.049 1.00 0.00 C ATOM 684 C TYR A 58 3.627 -12.097 -3.927 1.00 0.00 C ATOM 685 O TYR A 58 4.162 -12.647 -4.867 1.00 0.00 O ATOM 686 CB TYR A 58 1.824 -10.640 -4.915 1.00 0.00 C ATOM 687 CG TYR A 58 1.157 -9.315 -4.710 1.00 0.00 C ATOM 688 CD1 TYR A 58 0.767 -8.945 -3.424 1.00 0.00 C ATOM 689 CD2 TYR A 58 0.924 -8.463 -5.791 1.00 0.00 C ATOM 690 CE1 TYR A 58 0.140 -7.721 -3.211 1.00 0.00 C ATOM 691 CE2 TYR A 58 0.292 -7.236 -5.579 1.00 0.00 C ATOM 692 CZ TYR A 58 -0.099 -6.867 -4.285 1.00 0.00 C ATOM 693 OH TYR A 58 -0.735 -5.668 -4.065 1.00 0.00 O ATOM 0 H TYR A 58 4.181 -9.857 -5.688 1.00 0.00 H new ATOM 0 HA TYR A 58 2.836 -10.320 -3.049 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.080 -10.779 -5.965 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.150 -11.452 -4.641 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.952 -9.609 -2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.231 -8.751 -6.786 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.161 -7.434 -2.214 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.105 -6.573 -6.411 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.732 -5.468 -3.106 1.00 0.00 H new ATOM 703 N VAL A 59 3.524 -12.685 -2.763 1.00 0.00 N ATOM 704 CA VAL A 59 4.068 -14.062 -2.574 1.00 0.00 C ATOM 705 C VAL A 59 2.956 -15.054 -2.210 1.00 0.00 C ATOM 706 O VAL A 59 3.062 -16.231 -2.490 1.00 0.00 O ATOM 707 CB VAL A 59 5.110 -14.037 -1.452 1.00 0.00 C ATOM 708 CG1 VAL A 59 5.679 -15.444 -1.248 1.00 0.00 C ATOM 709 CG2 VAL A 59 6.243 -13.080 -1.832 1.00 0.00 C ATOM 0 H VAL A 59 3.088 -12.272 -1.938 1.00 0.00 H new ATOM 0 HA VAL A 59 4.522 -14.386 -3.510 1.00 0.00 H new ATOM 0 HB VAL A 59 4.640 -13.699 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.420 -15.424 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.873 -16.127 -0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.149 -15.784 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.986 -13.061 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.711 -13.419 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.840 -12.078 -1.976 1.00 0.00 H new ATOM 719 N LEU A 60 1.895 -14.613 -1.584 1.00 0.00 N ATOM 720 CA LEU A 60 0.813 -15.569 -1.212 1.00 0.00 C ATOM 721 C LEU A 60 -0.322 -15.483 -2.235 1.00 0.00 C ATOM 722 O LEU A 60 -0.599 -14.425 -2.761 1.00 0.00 O ATOM 723 CB LEU A 60 0.279 -15.208 0.176 1.00 0.00 C ATOM 724 CG LEU A 60 0.168 -16.469 1.033 1.00 0.00 C ATOM 725 CD1 LEU A 60 1.031 -16.314 2.288 1.00 0.00 C ATOM 726 CD2 LEU A 60 -1.293 -16.672 1.442 1.00 0.00 C ATOM 0 H LEU A 60 1.733 -13.642 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 60 1.210 -16.584 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.943 -14.489 0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.697 -14.731 0.087 1.00 0.00 H new ATOM 0 HG LEU A 60 0.513 -17.331 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.951 -17.214 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.071 -16.164 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.686 -15.454 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.378 -17.570 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.634 -15.809 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.909 -16.781 0.549 1.00 0.00 H new ATOM 738 N PRO A 61 -0.952 -16.602 -2.478 1.00 0.00 N ATOM 739 CA PRO A 61 -2.077 -16.685 -3.426 1.00 0.00 C ATOM 740 C PRO A 61 -3.348 -16.135 -2.775 1.00 0.00 C ATOM 741 O PRO A 61 -3.755 -16.574 -1.719 1.00 0.00 O ATOM 742 CB PRO A 61 -2.202 -18.184 -3.703 1.00 0.00 C ATOM 743 CG PRO A 61 -1.544 -18.907 -2.503 1.00 0.00 C ATOM 744 CD PRO A 61 -0.606 -17.884 -1.835 1.00 0.00 C ATOM 0 HA PRO A 61 -1.924 -16.106 -4.337 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.248 -18.474 -3.805 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.705 -18.449 -4.636 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.300 -19.257 -1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.988 -19.783 -2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.763 -17.844 -0.757 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.441 -18.140 -1.995 1.00 0.00 H new ATOM 752 N GLY A 62 -3.972 -15.171 -3.393 1.00 0.00 N ATOM 753 CA GLY A 62 -5.211 -14.588 -2.804 1.00 0.00 C ATOM 754 C GLY A 62 -5.470 -13.215 -3.426 1.00 0.00 C ATOM 755 O GLY A 62 -5.092 -12.954 -4.549 1.00 0.00 O ATOM 0 H GLY A 62 -3.678 -14.762 -4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.059 -15.248 -2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.105 -14.496 -1.723 1.00 0.00 H new ATOM 759 N ARG A 63 -6.112 -12.333 -2.708 1.00 0.00 N ATOM 760 CA ARG A 63 -6.388 -10.980 -3.269 1.00 0.00 C ATOM 761 C ARG A 63 -5.779 -9.908 -2.362 1.00 0.00 C ATOM 762 O ARG A 63 -6.115 -9.798 -1.199 1.00 0.00 O ATOM 763 CB ARG A 63 -7.901 -10.768 -3.372 1.00 0.00 C ATOM 764 CG ARG A 63 -8.334 -10.891 -4.836 1.00 0.00 C ATOM 765 CD ARG A 63 -9.249 -9.721 -5.200 1.00 0.00 C ATOM 766 NE ARG A 63 -10.596 -10.240 -5.566 1.00 0.00 N ATOM 767 CZ ARG A 63 -11.588 -10.129 -4.727 1.00 0.00 C ATOM 768 NH1 ARG A 63 -12.149 -8.967 -4.528 1.00 0.00 N ATOM 769 NH2 ARG A 63 -12.019 -11.180 -4.085 1.00 0.00 N ATOM 0 H ARG A 63 -6.456 -12.490 -1.761 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.942 -10.904 -4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.425 -11.505 -2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.169 -9.785 -2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.459 -10.897 -5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.854 -11.836 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.329 -9.032 -4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.825 -9.159 -6.032 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.743 -10.682 -6.473 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.811 -8.145 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.925 -8.881 -3.872 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.580 -12.088 -4.240 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.795 -11.094 -3.429 1.00 0.00 H new ATOM 783 N TYR A 64 -4.884 -9.117 -2.888 1.00 0.00 N ATOM 784 CA TYR A 64 -4.245 -8.048 -2.068 1.00 0.00 C ATOM 785 C TYR A 64 -4.852 -6.694 -2.431 1.00 0.00 C ATOM 786 O TYR A 64 -5.300 -6.487 -3.540 1.00 0.00 O ATOM 787 CB TYR A 64 -2.753 -7.977 -2.382 1.00 0.00 C ATOM 788 CG TYR A 64 -2.030 -9.216 -1.911 1.00 0.00 C ATOM 789 CD1 TYR A 64 -2.047 -10.374 -2.696 1.00 0.00 C ATOM 790 CD2 TYR A 64 -1.302 -9.188 -0.716 1.00 0.00 C ATOM 791 CE1 TYR A 64 -1.341 -11.509 -2.281 1.00 0.00 C ATOM 792 CE2 TYR A 64 -0.589 -10.319 -0.306 1.00 0.00 C ATOM 793 CZ TYR A 64 -0.608 -11.480 -1.087 1.00 0.00 C ATOM 794 OH TYR A 64 0.108 -12.591 -0.688 1.00 0.00 O ATOM 0 H TYR A 64 -4.566 -9.165 -3.856 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.406 -8.277 -1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.611 -7.858 -3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.321 -7.098 -1.904 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.604 -10.392 -3.621 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.291 -8.294 -0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.361 -12.407 -2.881 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.023 -10.296 0.614 1.00 0.00 H new ATOM 0 HH TYR A 64 0.560 -12.402 0.161 1.00 0.00 H new ATOM 804 N HIS A 65 -4.833 -5.760 -1.520 1.00 0.00 N ATOM 805 CA HIS A 65 -5.373 -4.408 -1.830 1.00 0.00 C ATOM 806 C HIS A 65 -4.200 -3.435 -1.953 1.00 0.00 C ATOM 807 O HIS A 65 -3.306 -3.421 -1.132 1.00 0.00 O ATOM 808 CB HIS A 65 -6.313 -3.953 -0.715 1.00 0.00 C ATOM 809 CG HIS A 65 -6.956 -2.653 -1.110 1.00 0.00 C ATOM 810 ND1 HIS A 65 -8.114 -2.604 -1.870 1.00 0.00 N ATOM 811 CD2 HIS A 65 -6.609 -1.347 -0.871 1.00 0.00 C ATOM 812 CE1 HIS A 65 -8.419 -1.308 -2.060 1.00 0.00 C ATOM 813 NE2 HIS A 65 -7.535 -0.498 -1.471 1.00 0.00 N ATOM 0 H HIS A 65 -4.467 -5.875 -0.575 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.934 -4.436 -2.764 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.076 -4.710 -0.535 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.760 -3.831 0.216 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.639 -3.405 -2.221 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.748 -1.026 -0.303 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.275 -0.964 -2.621 1.00 0.00 H new ATOM 821 N VAL A 66 -4.181 -2.638 -2.985 1.00 0.00 N ATOM 822 CA VAL A 66 -3.052 -1.684 -3.178 1.00 0.00 C ATOM 823 C VAL A 66 -3.537 -0.243 -3.036 1.00 0.00 C ATOM 824 O VAL A 66 -4.667 0.072 -3.340 1.00 0.00 O ATOM 825 CB VAL A 66 -2.479 -1.871 -4.582 1.00 0.00 C ATOM 826 CG1 VAL A 66 -1.338 -0.881 -4.813 1.00 0.00 C ATOM 827 CG2 VAL A 66 -1.959 -3.296 -4.732 1.00 0.00 C ATOM 0 H VAL A 66 -4.902 -2.606 -3.706 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.292 -1.881 -2.422 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.263 -1.690 -5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.934 -1.019 -5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.713 0.137 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.552 -1.054 -4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.550 -3.431 -5.733 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.178 -3.478 -3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.777 -4.000 -4.576 1.00 0.00 H new ATOM 837 N THR A 67 -2.672 0.636 -2.600 1.00 0.00 N ATOM 838 CA THR A 67 -3.045 2.074 -2.460 1.00 0.00 C ATOM 839 C THR A 67 -1.797 2.915 -2.741 1.00 0.00 C ATOM 840 O THR A 67 -0.686 2.439 -2.608 1.00 0.00 O ATOM 841 CB THR A 67 -3.543 2.364 -1.039 1.00 0.00 C ATOM 842 OG1 THR A 67 -2.431 2.511 -0.171 1.00 0.00 O ATOM 843 CG2 THR A 67 -4.430 1.220 -0.545 1.00 0.00 C ATOM 0 H THR A 67 -1.713 0.415 -2.332 1.00 0.00 H new ATOM 0 HA THR A 67 -3.844 2.317 -3.161 1.00 0.00 H new ATOM 0 HB THR A 67 -4.127 3.284 -1.048 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.748 2.698 0.737 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.777 1.439 0.465 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.288 1.113 -1.208 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.858 0.292 -0.539 1.00 0.00 H new ATOM 851 N ALA A 68 -1.954 4.153 -3.135 1.00 0.00 N ATOM 852 CA ALA A 68 -0.741 4.981 -3.419 1.00 0.00 C ATOM 853 C ALA A 68 -1.004 6.460 -3.139 1.00 0.00 C ATOM 854 O ALA A 68 -2.118 6.934 -3.180 1.00 0.00 O ATOM 855 CB ALA A 68 -0.331 4.825 -4.888 1.00 0.00 C ATOM 0 H ALA A 68 -2.851 4.620 -3.271 1.00 0.00 H new ATOM 0 HA ALA A 68 0.058 4.632 -2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.553 5.431 -5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.106 3.778 -5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.148 5.154 -5.531 1.00 0.00 H new ATOM 861 N VAL A 69 0.041 7.192 -2.880 1.00 0.00 N ATOM 862 CA VAL A 69 -0.090 8.650 -2.625 1.00 0.00 C ATOM 863 C VAL A 69 0.898 9.356 -3.544 1.00 0.00 C ATOM 864 O VAL A 69 2.064 9.044 -3.554 1.00 0.00 O ATOM 865 CB VAL A 69 0.255 8.970 -1.168 1.00 0.00 C ATOM 866 CG1 VAL A 69 -0.622 10.123 -0.678 1.00 0.00 C ATOM 867 CG2 VAL A 69 0.011 7.739 -0.291 1.00 0.00 C ATOM 0 H VAL A 69 0.995 6.835 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.112 8.978 -2.813 1.00 0.00 H new ATOM 0 HB VAL A 69 1.305 9.254 -1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.377 10.351 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.444 11.004 -1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.672 9.837 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.259 7.975 0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.037 7.448 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.638 6.917 -0.636 1.00 0.00 H new ATOM 877 N LEU A 70 0.459 10.289 -4.330 1.00 0.00 N ATOM 878 CA LEU A 70 1.416 10.964 -5.248 1.00 0.00 C ATOM 879 C LEU A 70 2.053 12.138 -4.523 1.00 0.00 C ATOM 880 O LEU A 70 1.413 12.814 -3.748 1.00 0.00 O ATOM 881 CB LEU A 70 0.689 11.525 -6.473 1.00 0.00 C ATOM 882 CG LEU A 70 0.205 10.417 -7.414 1.00 0.00 C ATOM 883 CD1 LEU A 70 1.223 10.240 -8.528 1.00 0.00 C ATOM 884 CD2 LEU A 70 0.029 9.096 -6.664 1.00 0.00 C ATOM 0 H LEU A 70 -0.507 10.613 -4.380 1.00 0.00 H new ATOM 0 HA LEU A 70 2.161 10.233 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.163 12.121 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.357 12.194 -7.015 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.763 10.703 -7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.889 9.453 -9.205 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.324 11.174 -9.080 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.187 9.965 -8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.315 8.328 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.983 8.794 -6.231 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.706 9.224 -5.869 1.00 0.00 H new ATOM 896 N ALA A 71 3.296 12.411 -4.780 1.00 0.00 N ATOM 897 CA ALA A 71 3.924 13.572 -4.110 1.00 0.00 C ATOM 898 C ALA A 71 4.682 14.398 -5.128 1.00 0.00 C ATOM 899 O ALA A 71 5.744 14.037 -5.595 1.00 0.00 O ATOM 900 CB ALA A 71 4.878 13.136 -3.021 1.00 0.00 C ATOM 0 H ALA A 71 3.897 11.888 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 71 3.130 14.164 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.320 14.015 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.336 12.558 -2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.667 12.520 -3.453 1.00 0.00 H new ATOM 906 N LEU A 72 4.134 15.514 -5.447 1.00 0.00 N ATOM 907 CA LEU A 72 4.776 16.433 -6.416 1.00 0.00 C ATOM 908 C LEU A 72 5.409 17.589 -5.648 1.00 0.00 C ATOM 909 O LEU A 72 6.137 18.396 -6.190 1.00 0.00 O ATOM 910 CB LEU A 72 3.696 16.988 -7.335 1.00 0.00 C ATOM 911 CG LEU A 72 4.154 16.897 -8.790 1.00 0.00 C ATOM 912 CD1 LEU A 72 3.028 17.377 -9.710 1.00 0.00 C ATOM 913 CD2 LEU A 72 5.382 17.790 -8.989 1.00 0.00 C ATOM 0 H LEU A 72 3.245 15.844 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 72 5.536 15.908 -6.995 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.770 16.429 -7.201 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.483 18.025 -7.076 1.00 0.00 H new ATOM 0 HG LEU A 72 4.406 15.864 -9.029 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.354 17.312 -10.748 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.148 16.750 -9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.779 18.411 -9.472 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.713 17.728 -10.026 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.124 18.822 -8.751 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.185 17.456 -8.332 1.00 0.00 H new ATOM 925 N GLY A 73 5.105 17.685 -4.387 1.00 0.00 N ATOM 926 CA GLY A 73 5.644 18.799 -3.561 1.00 0.00 C ATOM 927 C GLY A 73 4.505 19.786 -3.316 1.00 0.00 C ATOM 928 O GLY A 73 4.262 20.212 -2.205 1.00 0.00 O ATOM 0 H GLY A 73 4.500 17.033 -3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.033 18.421 -2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.472 19.289 -4.073 1.00 0.00 H new ATOM 932 N ALA A 74 3.793 20.131 -4.355 1.00 0.00 N ATOM 933 CA ALA A 74 2.648 21.071 -4.206 1.00 0.00 C ATOM 934 C ALA A 74 1.343 20.362 -4.595 1.00 0.00 C ATOM 935 O ALA A 74 0.269 20.913 -4.463 1.00 0.00 O ATOM 936 CB ALA A 74 2.857 22.272 -5.125 1.00 0.00 C ATOM 0 H ALA A 74 3.957 19.799 -5.305 1.00 0.00 H new ATOM 0 HA ALA A 74 2.587 21.403 -3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.020 22.962 -5.018 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.783 22.780 -4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.918 21.933 -6.159 1.00 0.00 H new ATOM 942 N GLY A 75 1.424 19.148 -5.074 1.00 0.00 N ATOM 943 CA GLY A 75 0.187 18.415 -5.469 1.00 0.00 C ATOM 944 C GLY A 75 0.344 16.927 -5.149 1.00 0.00 C ATOM 945 O GLY A 75 1.441 16.424 -5.012 1.00 0.00 O ATOM 0 H GLY A 75 2.294 18.633 -5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.674 18.822 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.003 18.550 -6.534 1.00 0.00 H new ATOM 949 N SER A 76 -0.747 16.223 -5.019 1.00 0.00 N ATOM 950 CA SER A 76 -0.673 14.770 -4.700 1.00 0.00 C ATOM 951 C SER A 76 -1.854 14.046 -5.350 1.00 0.00 C ATOM 952 O SER A 76 -2.658 14.639 -6.040 1.00 0.00 O ATOM 953 CB SER A 76 -0.752 14.599 -3.185 1.00 0.00 C ATOM 954 OG SER A 76 -2.105 14.731 -2.770 1.00 0.00 O ATOM 0 H SER A 76 -1.691 16.595 -5.121 1.00 0.00 H new ATOM 0 HA SER A 76 0.260 14.353 -5.078 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.364 13.622 -2.897 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.133 15.347 -2.690 1.00 0.00 H new ATOM 0 HG SER A 76 -2.161 14.620 -1.798 1.00 0.00 H new ATOM 960 N ALA A 77 -1.962 12.767 -5.128 1.00 0.00 N ATOM 961 CA ALA A 77 -3.085 11.992 -5.721 1.00 0.00 C ATOM 962 C ALA A 77 -3.318 10.736 -4.878 1.00 0.00 C ATOM 963 O ALA A 77 -2.474 10.339 -4.101 1.00 0.00 O ATOM 964 CB ALA A 77 -2.732 11.592 -7.155 1.00 0.00 C ATOM 0 H ALA A 77 -1.316 12.222 -4.557 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.989 12.601 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.556 11.024 -7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.557 12.488 -7.750 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.831 10.978 -7.150 1.00 0.00 H new ATOM 970 N LEU A 78 -4.455 10.109 -5.016 1.00 0.00 N ATOM 971 CA LEU A 78 -4.724 8.887 -4.207 1.00 0.00 C ATOM 972 C LEU A 78 -4.888 7.680 -5.125 1.00 0.00 C ATOM 973 O LEU A 78 -5.595 7.725 -6.112 1.00 0.00 O ATOM 974 CB LEU A 78 -6.001 9.086 -3.389 1.00 0.00 C ATOM 975 CG LEU A 78 -5.839 10.309 -2.484 1.00 0.00 C ATOM 976 CD1 LEU A 78 -6.634 11.481 -3.058 1.00 0.00 C ATOM 977 CD2 LEU A 78 -6.362 9.978 -1.085 1.00 0.00 C ATOM 0 H LEU A 78 -5.204 10.388 -5.649 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.884 8.712 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.854 9.222 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.203 8.199 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.785 10.580 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.517 12.351 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.264 11.718 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.689 11.211 -3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.248 10.848 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.416 9.707 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.796 9.143 -0.673 1.00 0.00 H new ATOM 989 N LEU A 79 -4.228 6.601 -4.807 1.00 0.00 N ATOM 990 CA LEU A 79 -4.327 5.384 -5.649 1.00 0.00 C ATOM 991 C LEU A 79 -4.958 4.259 -4.843 1.00 0.00 C ATOM 992 O LEU A 79 -4.919 4.256 -3.629 1.00 0.00 O ATOM 993 CB LEU A 79 -2.924 4.961 -6.074 1.00 0.00 C ATOM 994 CG LEU A 79 -2.847 4.752 -7.586 1.00 0.00 C ATOM 995 CD1 LEU A 79 -2.874 3.252 -7.894 1.00 0.00 C ATOM 996 CD2 LEU A 79 -4.027 5.442 -8.270 1.00 0.00 C ATOM 0 H LEU A 79 -3.620 6.513 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.939 5.594 -6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.204 5.722 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.648 4.039 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.920 5.184 -7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.819 3.101 -8.972 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.023 2.767 -7.416 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.799 2.819 -7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.964 5.288 -9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.961 5.021 -7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.999 6.510 -8.054 1.00 0.00 H new ATOM 1008 N GLY A 80 -5.526 3.300 -5.517 1.00 0.00 N ATOM 1009 CA GLY A 80 -6.163 2.164 -4.804 1.00 0.00 C ATOM 1010 C GLY A 80 -6.494 1.041 -5.795 1.00 0.00 C ATOM 1011 O GLY A 80 -7.521 1.062 -6.443 1.00 0.00 O ATOM 0 H GLY A 80 -5.576 3.255 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.495 1.790 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.072 2.501 -4.306 1.00 0.00 H new ATOM 1015 N THR A 81 -5.640 0.056 -5.915 1.00 0.00 N ATOM 1016 CA THR A 81 -5.921 -1.063 -6.864 1.00 0.00 C ATOM 1017 C THR A 81 -6.078 -2.376 -6.085 1.00 0.00 C ATOM 1018 O THR A 81 -6.118 -2.388 -4.874 1.00 0.00 O ATOM 1019 CB THR A 81 -4.767 -1.205 -7.868 1.00 0.00 C ATOM 1020 OG1 THR A 81 -3.828 -2.154 -7.384 1.00 0.00 O ATOM 1021 CG2 THR A 81 -4.072 0.143 -8.064 1.00 0.00 C ATOM 0 H THR A 81 -4.764 -0.021 -5.399 1.00 0.00 H new ATOM 0 HA THR A 81 -6.843 -0.844 -7.403 1.00 0.00 H new ATOM 0 HB THR A 81 -5.169 -1.542 -8.823 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.867 -2.963 -7.935 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.256 0.031 -8.778 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.789 0.870 -8.444 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.675 0.490 -7.110 1.00 0.00 H new ATOM 1029 N ASP A 82 -6.163 -3.478 -6.781 1.00 0.00 N ATOM 1030 CA ASP A 82 -6.304 -4.800 -6.106 1.00 0.00 C ATOM 1031 C ASP A 82 -5.684 -5.865 -7.013 1.00 0.00 C ATOM 1032 O ASP A 82 -5.717 -5.740 -8.221 1.00 0.00 O ATOM 1033 CB ASP A 82 -7.786 -5.112 -5.886 1.00 0.00 C ATOM 1034 CG ASP A 82 -7.962 -5.827 -4.545 1.00 0.00 C ATOM 1035 OD1 ASP A 82 -8.111 -5.142 -3.548 1.00 0.00 O ATOM 1036 OD2 ASP A 82 -7.941 -7.046 -4.539 1.00 0.00 O ATOM 0 H ASP A 82 -6.140 -3.518 -7.800 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.801 -4.786 -5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.368 -4.191 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.161 -5.737 -6.696 1.00 0.00 H new ATOM 1041 N VAL A 83 -5.111 -6.903 -6.466 1.00 0.00 N ATOM 1042 CA VAL A 83 -4.497 -7.934 -7.340 1.00 0.00 C ATOM 1043 C VAL A 83 -4.951 -9.326 -6.905 1.00 0.00 C ATOM 1044 O VAL A 83 -5.009 -9.633 -5.732 1.00 0.00 O ATOM 1045 CB VAL A 83 -2.965 -7.854 -7.258 1.00 0.00 C ATOM 1046 CG1 VAL A 83 -2.523 -6.939 -6.110 1.00 0.00 C ATOM 1047 CG2 VAL A 83 -2.408 -9.247 -6.995 1.00 0.00 C ATOM 0 H VAL A 83 -5.043 -7.078 -5.463 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.814 -7.751 -8.367 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.592 -7.453 -8.200 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.434 -6.900 -6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.917 -5.936 -6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.903 -7.330 -5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.321 -9.199 -6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.807 -9.627 -6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.698 -9.914 -7.807 1.00 0.00 H new ATOM 1057 N GLN A 84 -5.254 -10.177 -7.847 1.00 0.00 N ATOM 1058 CA GLN A 84 -5.682 -11.559 -7.498 1.00 0.00 C ATOM 1059 C GLN A 84 -4.531 -12.517 -7.798 1.00 0.00 C ATOM 1060 O GLN A 84 -4.406 -13.032 -8.892 1.00 0.00 O ATOM 1061 CB GLN A 84 -6.903 -11.951 -8.332 1.00 0.00 C ATOM 1062 CG GLN A 84 -7.293 -13.396 -8.012 1.00 0.00 C ATOM 1063 CD GLN A 84 -8.777 -13.606 -8.317 1.00 0.00 C ATOM 1064 OE1 GLN A 84 -9.608 -12.810 -7.928 1.00 0.00 O ATOM 1065 NE2 GLN A 84 -9.145 -14.652 -9.003 1.00 0.00 N ATOM 0 H GLN A 84 -5.223 -9.973 -8.846 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.945 -11.608 -6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.735 -11.281 -8.116 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.680 -11.849 -9.394 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.689 -14.086 -8.602 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.093 -13.614 -6.963 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.446 -15.320 -9.329 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.132 -14.803 -9.214 1.00 0.00 H new ATOM 1074 N VAL A 85 -3.683 -12.753 -6.838 1.00 0.00 N ATOM 1075 CA VAL A 85 -2.536 -13.669 -7.071 1.00 0.00 C ATOM 1076 C VAL A 85 -3.029 -15.115 -7.043 1.00 0.00 C ATOM 1077 O VAL A 85 -3.740 -15.522 -6.147 1.00 0.00 O ATOM 1078 CB VAL A 85 -1.484 -13.450 -5.985 1.00 0.00 C ATOM 1079 CG1 VAL A 85 -0.436 -14.561 -6.051 1.00 0.00 C ATOM 1080 CG2 VAL A 85 -0.809 -12.097 -6.217 1.00 0.00 C ATOM 0 H VAL A 85 -3.735 -12.351 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.090 -13.464 -8.044 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.959 -13.466 -5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.313 -14.402 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.919 -15.526 -5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.046 -14.549 -7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.056 -11.930 -5.447 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.333 -12.091 -7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.556 -11.305 -6.171 1.00 0.00 H new ATOM 1090 N GLU A 86 -2.662 -15.890 -8.027 1.00 0.00 N ATOM 1091 CA GLU A 86 -3.116 -17.308 -8.069 1.00 0.00 C ATOM 1092 C GLU A 86 -1.915 -18.240 -7.914 1.00 0.00 C ATOM 1093 O GLU A 86 -0.839 -17.967 -8.404 1.00 0.00 O ATOM 1094 CB GLU A 86 -3.789 -17.578 -9.414 1.00 0.00 C ATOM 1095 CG GLU A 86 -5.021 -16.682 -9.559 1.00 0.00 C ATOM 1096 CD GLU A 86 -5.288 -16.415 -11.040 1.00 0.00 C ATOM 1097 OE1 GLU A 86 -4.431 -15.827 -11.680 1.00 0.00 O ATOM 1098 OE2 GLU A 86 -6.344 -16.803 -11.511 1.00 0.00 O ATOM 0 H GLU A 86 -2.067 -15.602 -8.804 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.820 -17.487 -7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.089 -17.386 -10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.079 -18.626 -9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.888 -17.161 -9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.863 -15.741 -9.032 1.00 0.00 H new ATOM 1105 N ALA A 87 -2.092 -19.344 -7.243 1.00 0.00 N ATOM 1106 CA ALA A 87 -0.960 -20.295 -7.065 1.00 0.00 C ATOM 1107 C ALA A 87 -0.971 -21.314 -8.207 1.00 0.00 C ATOM 1108 O ALA A 87 -1.357 -22.453 -8.032 1.00 0.00 O ATOM 1109 CB ALA A 87 -1.111 -21.021 -5.727 1.00 0.00 C ATOM 0 H ALA A 87 -2.971 -19.628 -6.811 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.017 -19.749 -7.075 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.283 -21.718 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.105 -20.293 -4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.052 -21.570 -5.715 1.00 0.00 H new TER 1115 ALA A 87