USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 460 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 Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -119:sc= 0.0815 (180deg=-0.0976) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.11) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc=-0.00642 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.0307 X(o=-0.031,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.11) USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= 0.459 (180deg=0.338) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 69:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -1.116 -52.741 17.906 1.00 0.00 N ATOM 2 CA GLN A 1 0.032 -53.342 17.159 1.00 0.00 C ATOM 3 C GLN A 1 1.193 -52.345 17.075 1.00 0.00 C ATOM 4 O GLN A 1 1.064 -51.192 17.442 1.00 0.00 O ATOM 5 CB GLN A 1 -0.508 -53.653 15.759 1.00 0.00 C ATOM 6 CG GLN A 1 -1.400 -54.897 15.814 1.00 0.00 C ATOM 7 CD GLN A 1 -1.753 -55.343 14.393 1.00 0.00 C ATOM 8 OE1 GLN A 1 -1.171 -56.275 13.875 1.00 0.00 O ATOM 9 NE2 GLN A 1 -2.690 -54.715 13.734 1.00 0.00 N ATOM 0 H1 GLN A 1 -1.314 -53.309 18.754 1.00 0.00 H new ATOM 0 H2 GLN A 1 -0.876 -51.769 18.189 1.00 0.00 H new ATOM 0 H3 GLN A 1 -1.958 -52.726 17.295 1.00 0.00 H new ATOM 0 HA GLN A 1 0.413 -54.236 17.653 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -1.076 -52.803 15.381 1.00 0.00 H new ATOM 0 HB3 GLN A 1 0.319 -53.817 15.068 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -0.886 -55.701 16.341 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -2.310 -54.679 16.374 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -3.180 -53.932 14.166 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -2.931 -55.008 12.787 1.00 0.00 H new ATOM 20 N VAL A 2 2.325 -52.785 16.589 1.00 0.00 N ATOM 21 CA VAL A 2 3.502 -51.868 16.475 1.00 0.00 C ATOM 22 C VAL A 2 3.340 -50.945 15.257 1.00 0.00 C ATOM 23 O VAL A 2 2.790 -51.332 14.242 1.00 0.00 O ATOM 24 CB VAL A 2 4.725 -52.787 16.319 1.00 0.00 C ATOM 25 CG1 VAL A 2 4.753 -53.406 14.917 1.00 0.00 C ATOM 26 CG2 VAL A 2 6.004 -51.973 16.538 1.00 0.00 C ATOM 0 H VAL A 2 2.487 -53.739 16.266 1.00 0.00 H new ATOM 0 HA VAL A 2 3.605 -51.219 17.345 1.00 0.00 H new ATOM 0 HB VAL A 2 4.661 -53.586 17.058 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.625 -54.054 14.823 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.847 -53.991 14.760 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.807 -52.614 14.170 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.872 -52.623 16.428 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.055 -51.171 15.802 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.996 -51.545 17.541 1.00 0.00 H new ATOM 36 N TYR A 3 3.815 -49.728 15.357 1.00 0.00 N ATOM 37 CA TYR A 3 3.693 -48.774 14.213 1.00 0.00 C ATOM 38 C TYR A 3 5.073 -48.511 13.599 1.00 0.00 C ATOM 39 O TYR A 3 5.898 -47.826 14.177 1.00 0.00 O ATOM 40 CB TYR A 3 3.115 -47.491 14.818 1.00 0.00 C ATOM 41 CG TYR A 3 1.638 -47.674 15.081 1.00 0.00 C ATOM 42 CD1 TYR A 3 0.707 -47.390 14.075 1.00 0.00 C ATOM 43 CD2 TYR A 3 1.201 -48.128 16.331 1.00 0.00 C ATOM 44 CE1 TYR A 3 -0.661 -47.559 14.318 1.00 0.00 C ATOM 45 CE2 TYR A 3 -0.167 -48.298 16.575 1.00 0.00 C ATOM 46 CZ TYR A 3 -1.098 -48.013 15.569 1.00 0.00 C ATOM 47 OH TYR A 3 -2.447 -48.181 15.810 1.00 0.00 O ATOM 0 H TYR A 3 4.282 -49.354 16.183 1.00 0.00 H new ATOM 0 HA TYR A 3 3.059 -49.163 13.416 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.633 -47.250 15.746 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.272 -46.654 14.138 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.045 -47.040 13.111 1.00 0.00 H new ATOM 0 HD2 TYR A 3 1.919 -48.347 17.107 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.379 -47.340 13.542 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -0.504 -48.649 17.539 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.578 -48.503 16.726 1.00 0.00 H new ATOM 57 N LYS A 4 5.327 -49.051 12.432 1.00 0.00 N ATOM 58 CA LYS A 4 6.651 -48.841 11.771 1.00 0.00 C ATOM 59 C LYS A 4 6.491 -48.857 10.245 1.00 0.00 C ATOM 60 O LYS A 4 5.548 -49.419 9.720 1.00 0.00 O ATOM 61 CB LYS A 4 7.520 -50.016 12.233 1.00 0.00 C ATOM 62 CG LYS A 4 8.701 -49.491 13.057 1.00 0.00 C ATOM 63 CD LYS A 4 8.451 -49.758 14.545 1.00 0.00 C ATOM 64 CE LYS A 4 9.087 -48.642 15.381 1.00 0.00 C ATOM 65 NZ LYS A 4 7.942 -47.898 15.981 1.00 0.00 N ATOM 0 H LYS A 4 4.671 -49.630 11.908 1.00 0.00 H new ATOM 0 HA LYS A 4 7.094 -47.880 12.034 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.926 -50.708 12.830 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.885 -50.573 11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.623 -49.978 12.740 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.830 -48.422 12.886 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.380 -49.808 14.741 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.872 -50.723 14.828 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.738 -49.052 16.153 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.700 -47.987 14.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.285 -47.008 16.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.240 -47.688 15.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.502 -48.478 16.723 1.00 0.00 H new ATOM 79 N GLY A 5 7.407 -48.247 9.534 1.00 0.00 N ATOM 80 CA GLY A 5 7.313 -48.226 8.044 1.00 0.00 C ATOM 81 C GLY A 5 8.559 -47.557 7.456 1.00 0.00 C ATOM 82 O GLY A 5 9.420 -48.214 6.904 1.00 0.00 O ATOM 0 H GLY A 5 8.216 -47.763 9.923 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.220 -49.243 7.662 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.418 -47.686 7.734 1.00 0.00 H new ATOM 86 N GLY A 6 8.658 -46.255 7.572 1.00 0.00 N ATOM 87 CA GLY A 6 9.846 -45.536 7.022 1.00 0.00 C ATOM 88 C GLY A 6 9.473 -44.858 5.699 1.00 0.00 C ATOM 89 O GLY A 6 8.609 -45.319 4.976 1.00 0.00 O ATOM 0 H GLY A 6 7.965 -45.659 8.025 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.196 -44.792 7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 6 10.666 -46.236 6.864 1.00 0.00 H new ATOM 93 N TYR A 7 10.120 -43.763 5.381 1.00 0.00 N ATOM 94 CA TYR A 7 9.809 -43.045 4.106 1.00 0.00 C ATOM 95 C TYR A 7 10.427 -43.788 2.912 1.00 0.00 C ATOM 96 O TYR A 7 11.575 -43.576 2.562 1.00 0.00 O ATOM 97 CB TYR A 7 10.431 -41.651 4.260 1.00 0.00 C ATOM 98 CG TYR A 7 9.354 -40.649 4.609 1.00 0.00 C ATOM 99 CD1 TYR A 7 8.469 -40.200 3.621 1.00 0.00 C ATOM 100 CD2 TYR A 7 9.242 -40.169 5.919 1.00 0.00 C ATOM 101 CE1 TYR A 7 7.472 -39.271 3.944 1.00 0.00 C ATOM 102 CE2 TYR A 7 8.246 -39.240 6.242 1.00 0.00 C ATOM 103 CZ TYR A 7 7.361 -38.792 5.254 1.00 0.00 C ATOM 104 OH TYR A 7 6.379 -37.875 5.571 1.00 0.00 O ATOM 0 H TYR A 7 10.851 -43.335 5.950 1.00 0.00 H new ATOM 0 HA TYR A 7 8.736 -42.987 3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 7 11.193 -41.666 5.039 1.00 0.00 H new ATOM 0 HB3 TYR A 7 10.927 -41.359 3.334 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.555 -40.570 2.610 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.924 -40.516 6.681 1.00 0.00 H new ATOM 0 HE1 TYR A 7 6.789 -38.924 3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.160 -38.869 7.253 1.00 0.00 H new ATOM 0 HH TYR A 7 6.439 -37.647 6.522 1.00 0.00 H new ATOM 114 N ALA A 8 9.670 -44.656 2.288 1.00 0.00 N ATOM 115 CA ALA A 8 10.198 -45.421 1.115 1.00 0.00 C ATOM 116 C ALA A 8 10.425 -44.490 -0.086 1.00 0.00 C ATOM 117 O ALA A 8 11.327 -44.698 -0.875 1.00 0.00 O ATOM 118 CB ALA A 8 9.117 -46.455 0.791 1.00 0.00 C ATOM 0 H ALA A 8 8.705 -44.869 2.541 1.00 0.00 H new ATOM 0 HA ALA A 8 11.159 -45.886 1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.433 -47.057 -0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.962 -47.102 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.185 -45.944 0.549 1.00 0.00 H new ATOM 124 N ARG A 9 9.612 -43.468 -0.230 1.00 0.00 N ATOM 125 CA ARG A 9 9.778 -42.525 -1.380 1.00 0.00 C ATOM 126 C ARG A 9 11.080 -41.721 -1.226 1.00 0.00 C ATOM 127 O ARG A 9 11.238 -40.983 -0.271 1.00 0.00 O ATOM 128 CB ARG A 9 8.561 -41.596 -1.317 1.00 0.00 C ATOM 129 CG ARG A 9 8.485 -40.755 -2.596 1.00 0.00 C ATOM 130 CD ARG A 9 9.252 -39.443 -2.398 1.00 0.00 C ATOM 131 NE ARG A 9 8.252 -38.366 -2.655 1.00 0.00 N ATOM 132 CZ ARG A 9 7.957 -37.508 -1.715 1.00 0.00 C ATOM 133 NH1 ARG A 9 8.704 -36.447 -1.540 1.00 0.00 N ATOM 134 NH2 ARG A 9 6.917 -37.713 -0.948 1.00 0.00 N ATOM 0 H ARG A 9 8.841 -43.248 0.400 1.00 0.00 H new ATOM 0 HA ARG A 9 9.839 -43.048 -2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.650 -42.183 -1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.634 -40.945 -0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.906 -41.311 -3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.444 -40.545 -2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.658 -39.372 -1.389 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.094 -39.371 -3.086 1.00 0.00 H new ATOM 0 HE ARG A 9 7.798 -38.299 -3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.516 -36.291 -2.137 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.474 -35.777 -0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.338 -38.542 -1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.685 -37.044 -0.214 1.00 0.00 H new ATOM 148 N PRO A 10 11.973 -41.891 -2.176 1.00 0.00 N ATOM 149 CA PRO A 10 13.272 -41.169 -2.141 1.00 0.00 C ATOM 150 C PRO A 10 13.085 -39.693 -2.524 1.00 0.00 C ATOM 151 O PRO A 10 12.496 -39.377 -3.542 1.00 0.00 O ATOM 152 CB PRO A 10 14.115 -41.897 -3.185 1.00 0.00 C ATOM 153 CG PRO A 10 13.129 -42.509 -4.129 1.00 0.00 C ATOM 154 CD PRO A 10 11.860 -42.763 -3.356 1.00 0.00 C ATOM 0 HA PRO A 10 13.730 -41.167 -1.152 1.00 0.00 H new ATOM 0 HB2 PRO A 10 14.781 -41.207 -3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.743 -42.659 -2.723 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.939 -41.842 -4.970 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.520 -43.439 -4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.978 -42.519 -3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.772 -43.811 -3.069 1.00 0.00 H new ATOM 162 N ILE A 11 13.582 -38.790 -1.715 1.00 0.00 N ATOM 163 CA ILE A 11 13.438 -37.333 -2.025 1.00 0.00 C ATOM 164 C ILE A 11 14.583 -36.872 -2.942 1.00 0.00 C ATOM 165 O ILE A 11 15.733 -36.884 -2.545 1.00 0.00 O ATOM 166 CB ILE A 11 13.509 -36.618 -0.668 1.00 0.00 C ATOM 167 CG1 ILE A 11 12.324 -37.049 0.206 1.00 0.00 C ATOM 168 CG2 ILE A 11 13.451 -35.102 -0.882 1.00 0.00 C ATOM 169 CD1 ILE A 11 12.671 -36.836 1.682 1.00 0.00 C ATOM 0 H ILE A 11 14.082 -38.999 -0.851 1.00 0.00 H new ATOM 0 HA ILE A 11 12.505 -37.114 -2.545 1.00 0.00 H new ATOM 0 HB ILE A 11 14.443 -36.883 -0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.437 -36.473 -0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 11 12.088 -38.098 0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.501 -34.596 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 11 14.292 -34.789 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.518 -34.840 -1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.828 -37.143 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.547 -37.432 1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.885 -35.782 1.857 1.00 0.00 H new ATOM 181 N PRO A 12 14.226 -36.479 -4.145 1.00 0.00 N ATOM 182 CA PRO A 12 15.237 -36.010 -5.130 1.00 0.00 C ATOM 183 C PRO A 12 15.791 -34.633 -4.728 1.00 0.00 C ATOM 184 O PRO A 12 15.339 -33.609 -5.204 1.00 0.00 O ATOM 185 CB PRO A 12 14.451 -35.929 -6.438 1.00 0.00 C ATOM 186 CG PRO A 12 13.026 -35.746 -6.024 1.00 0.00 C ATOM 187 CD PRO A 12 12.864 -36.436 -4.695 1.00 0.00 C ATOM 0 HA PRO A 12 16.103 -36.668 -5.200 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.793 -35.097 -7.053 1.00 0.00 H new ATOM 0 HB3 PRO A 12 14.576 -36.835 -7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.781 -34.687 -5.942 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.351 -36.173 -6.765 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.187 -35.887 -4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.450 -37.437 -4.814 1.00 0.00 H new ATOM 195 N ARG A 13 16.771 -34.616 -3.850 1.00 0.00 N ATOM 196 CA ARG A 13 17.388 -33.326 -3.386 1.00 0.00 C ATOM 197 C ARG A 13 16.333 -32.410 -2.736 1.00 0.00 C ATOM 198 O ARG A 13 15.690 -31.627 -3.410 1.00 0.00 O ATOM 199 CB ARG A 13 17.980 -32.675 -4.645 1.00 0.00 C ATOM 200 CG ARG A 13 18.804 -31.442 -4.254 1.00 0.00 C ATOM 201 CD ARG A 13 20.135 -31.883 -3.632 1.00 0.00 C ATOM 202 NE ARG A 13 20.001 -31.589 -2.174 1.00 0.00 N ATOM 203 CZ ARG A 13 20.414 -30.443 -1.694 1.00 0.00 C ATOM 204 NH1 ARG A 13 21.689 -30.147 -1.717 1.00 0.00 N ATOM 205 NH2 ARG A 13 19.553 -29.599 -1.189 1.00 0.00 N ATOM 0 H ARG A 13 17.175 -35.453 -3.430 1.00 0.00 H new ATOM 0 HA ARG A 13 18.151 -33.498 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.609 -33.391 -5.174 1.00 0.00 H new ATOM 0 HB3 ARG A 13 17.180 -32.388 -5.327 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.990 -30.824 -5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.246 -30.830 -3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 13 20.318 -32.943 -3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 13 20.973 -31.339 -4.068 1.00 0.00 H new ATOM 0 HE ARG A 13 19.587 -32.282 -1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 13 22.359 -30.809 -2.109 1.00 0.00 H new ATOM 0 HH12 ARG A 13 22.012 -29.255 -1.343 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.561 -29.833 -1.169 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.874 -28.706 -0.815 1.00 0.00 H new ATOM 219 N PRO A 14 16.201 -32.536 -1.434 1.00 0.00 N ATOM 220 CA PRO A 14 15.225 -31.702 -0.681 1.00 0.00 C ATOM 221 C PRO A 14 15.738 -30.256 -0.542 1.00 0.00 C ATOM 222 O PRO A 14 16.853 -30.037 -0.105 1.00 0.00 O ATOM 223 CB PRO A 14 15.147 -32.386 0.682 1.00 0.00 C ATOM 224 CG PRO A 14 16.446 -33.112 0.832 1.00 0.00 C ATOM 225 CD PRO A 14 16.933 -33.457 -0.553 1.00 0.00 C ATOM 0 HA PRO A 14 14.256 -31.630 -1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.009 -31.657 1.481 1.00 0.00 H new ATOM 0 HB3 PRO A 14 14.303 -33.075 0.729 1.00 0.00 H new ATOM 0 HG2 PRO A 14 17.175 -32.490 1.351 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.314 -34.015 1.428 1.00 0.00 H new ATOM 0 HD2 PRO A 14 18.011 -33.320 -0.641 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.722 -34.497 -0.801 1.00 0.00 H new ATOM 233 N PRO A 15 14.902 -29.315 -0.922 1.00 0.00 N ATOM 234 CA PRO A 15 15.278 -27.878 -0.837 1.00 0.00 C ATOM 235 C PRO A 15 15.194 -27.381 0.619 1.00 0.00 C ATOM 236 O PRO A 15 14.168 -27.523 1.260 1.00 0.00 O ATOM 237 CB PRO A 15 14.236 -27.184 -1.707 1.00 0.00 C ATOM 238 CG PRO A 15 13.048 -28.094 -1.704 1.00 0.00 C ATOM 239 CD PRO A 15 13.549 -29.497 -1.467 1.00 0.00 C ATOM 0 HA PRO A 15 16.300 -27.684 -1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.981 -26.203 -1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 15 14.609 -27.028 -2.719 1.00 0.00 H new ATOM 0 HG2 PRO A 15 12.344 -27.802 -0.925 1.00 0.00 H new ATOM 0 HG3 PRO A 15 12.516 -28.033 -2.653 1.00 0.00 H new ATOM 0 HD2 PRO A 15 12.908 -30.035 -0.768 1.00 0.00 H new ATOM 0 HD3 PRO A 15 13.567 -30.074 -2.392 1.00 0.00 H new ATOM 247 N PRO A 16 16.279 -26.810 1.091 1.00 0.00 N ATOM 248 CA PRO A 16 16.323 -26.288 2.484 1.00 0.00 C ATOM 249 C PRO A 16 15.494 -24.999 2.608 1.00 0.00 C ATOM 250 O PRO A 16 15.976 -23.918 2.323 1.00 0.00 O ATOM 251 CB PRO A 16 17.806 -26.011 2.717 1.00 0.00 C ATOM 252 CG PRO A 16 18.381 -25.793 1.354 1.00 0.00 C ATOM 253 CD PRO A 16 17.554 -26.602 0.387 1.00 0.00 C ATOM 0 HA PRO A 16 15.905 -26.982 3.213 1.00 0.00 H new ATOM 0 HB2 PRO A 16 17.949 -25.135 3.350 1.00 0.00 H new ATOM 0 HB3 PRO A 16 18.289 -26.849 3.219 1.00 0.00 H new ATOM 0 HG2 PRO A 16 18.356 -24.736 1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 16 19.425 -26.105 1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 16 17.408 -26.071 -0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 16 18.036 -27.550 0.147 1.00 0.00 H new ATOM 261 N PHE A 17 14.253 -25.121 3.038 1.00 0.00 N ATOM 262 CA PHE A 17 13.351 -23.929 3.205 1.00 0.00 C ATOM 263 C PHE A 17 13.084 -23.233 1.859 1.00 0.00 C ATOM 264 O PHE A 17 13.895 -23.261 0.953 1.00 0.00 O ATOM 265 CB PHE A 17 14.084 -22.998 4.183 1.00 0.00 C ATOM 266 CG PHE A 17 13.362 -21.672 4.282 1.00 0.00 C ATOM 267 CD1 PHE A 17 12.159 -21.578 4.993 1.00 0.00 C ATOM 268 CD2 PHE A 17 13.899 -20.537 3.661 1.00 0.00 C ATOM 269 CE1 PHE A 17 11.494 -20.350 5.083 1.00 0.00 C ATOM 270 CE2 PHE A 17 13.233 -19.309 3.752 1.00 0.00 C ATOM 271 CZ PHE A 17 12.031 -19.216 4.463 1.00 0.00 C ATOM 0 H PHE A 17 13.822 -26.012 3.284 1.00 0.00 H new ATOM 0 HA PHE A 17 12.371 -24.218 3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 17 14.141 -23.464 5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 17 15.108 -22.838 3.846 1.00 0.00 H new ATOM 0 HD1 PHE A 17 11.745 -22.453 5.472 1.00 0.00 H new ATOM 0 HD2 PHE A 17 14.826 -20.609 3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 17 10.566 -20.277 5.631 1.00 0.00 H new ATOM 0 HE2 PHE A 17 13.647 -18.434 3.274 1.00 0.00 H new ATOM 0 HZ PHE A 17 11.518 -18.268 4.533 1.00 0.00 H new ATOM 281 N VAL A 18 11.940 -22.606 1.731 1.00 0.00 N ATOM 282 CA VAL A 18 11.599 -21.900 0.456 1.00 0.00 C ATOM 283 C VAL A 18 11.501 -20.390 0.704 1.00 0.00 C ATOM 284 O VAL A 18 10.922 -19.948 1.680 1.00 0.00 O ATOM 285 CB VAL A 18 10.240 -22.464 0.025 1.00 0.00 C ATOM 286 CG1 VAL A 18 9.841 -21.865 -1.327 1.00 0.00 C ATOM 287 CG2 VAL A 18 10.327 -23.989 -0.106 1.00 0.00 C ATOM 0 H VAL A 18 11.225 -22.553 2.457 1.00 0.00 H new ATOM 0 HA VAL A 18 12.357 -22.052 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 18 9.494 -22.206 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.875 -22.267 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.771 -20.781 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.592 -22.120 -2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.358 -24.384 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.077 -24.248 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.608 -24.421 0.854 1.00 0.00 H new ATOM 297 N ARG A 19 12.062 -19.600 -0.173 1.00 0.00 N ATOM 298 CA ARG A 19 12.008 -18.119 0.002 1.00 0.00 C ATOM 299 C ARG A 19 11.110 -17.485 -1.071 1.00 0.00 C ATOM 300 O ARG A 19 11.362 -17.634 -2.252 1.00 0.00 O ATOM 301 CB ARG A 19 13.457 -17.654 -0.163 1.00 0.00 C ATOM 302 CG ARG A 19 13.588 -16.196 0.287 1.00 0.00 C ATOM 303 CD ARG A 19 15.058 -15.767 0.219 1.00 0.00 C ATOM 304 NE ARG A 19 15.432 -15.878 -1.222 1.00 0.00 N ATOM 305 CZ ARG A 19 16.536 -16.486 -1.566 1.00 0.00 C ATOM 306 NH1 ARG A 19 16.547 -17.785 -1.722 1.00 0.00 N ATOM 307 NH2 ARG A 19 17.630 -15.794 -1.754 1.00 0.00 N ATOM 0 H ARG A 19 12.557 -19.918 -1.006 1.00 0.00 H new ATOM 0 HA ARG A 19 11.592 -17.831 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 19 14.121 -18.287 0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 19 13.764 -17.752 -1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.981 -15.552 -0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.213 -16.084 1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 19 15.188 -14.747 0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 19 15.684 -16.408 0.839 1.00 0.00 H new ATOM 0 HE ARG A 19 14.825 -15.479 -1.938 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.693 -18.324 -1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 19 17.409 -18.259 -1.991 1.00 0.00 H new ATOM 0 HH21 ARG A 19 17.620 -14.781 -1.632 1.00 0.00 H new ATOM 0 HH22 ARG A 19 18.493 -16.267 -2.023 1.00 0.00 H new ATOM 321 N PRO A 20 10.088 -16.792 -0.621 1.00 0.00 N ATOM 322 CA PRO A 20 9.144 -16.123 -1.557 1.00 0.00 C ATOM 323 C PRO A 20 9.798 -14.890 -2.197 1.00 0.00 C ATOM 324 O PRO A 20 10.974 -14.633 -2.014 1.00 0.00 O ATOM 325 CB PRO A 20 7.976 -15.719 -0.660 1.00 0.00 C ATOM 326 CG PRO A 20 8.560 -15.606 0.713 1.00 0.00 C ATOM 327 CD PRO A 20 9.716 -16.569 0.784 1.00 0.00 C ATOM 0 HA PRO A 20 8.838 -16.763 -2.385 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.540 -14.773 -0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.180 -16.463 -0.690 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.895 -14.587 0.906 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.813 -15.845 1.470 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.546 -16.153 1.354 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.429 -17.500 1.272 1.00 0.00 H new ATOM 335 N LEU A 21 9.040 -14.126 -2.944 1.00 0.00 N ATOM 336 CA LEU A 21 9.608 -12.906 -3.600 1.00 0.00 C ATOM 337 C LEU A 21 9.061 -11.636 -2.927 1.00 0.00 C ATOM 338 O LEU A 21 7.993 -11.165 -3.272 1.00 0.00 O ATOM 339 CB LEU A 21 9.147 -12.986 -5.063 1.00 0.00 C ATOM 340 CG LEU A 21 10.323 -13.373 -5.970 1.00 0.00 C ATOM 341 CD1 LEU A 21 11.451 -12.346 -5.829 1.00 0.00 C ATOM 342 CD2 LEU A 21 10.844 -14.760 -5.577 1.00 0.00 C ATOM 0 H LEU A 21 8.051 -14.294 -3.128 1.00 0.00 H new ATOM 0 HA LEU A 21 10.694 -12.863 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.347 -13.720 -5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.738 -12.025 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 21 9.982 -13.392 -7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.282 -12.627 -6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.084 -11.361 -6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.790 -12.318 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.679 -15.032 -6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.179 -14.743 -4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.046 -15.494 -5.688 1.00 0.00 H new ATOM 354 N PRO A 22 9.817 -11.122 -1.982 1.00 0.00 N ATOM 355 CA PRO A 22 9.401 -9.894 -1.256 1.00 0.00 C ATOM 356 C PRO A 22 9.583 -8.656 -2.145 1.00 0.00 C ATOM 357 O PRO A 22 10.660 -8.094 -2.231 1.00 0.00 O ATOM 358 CB PRO A 22 10.341 -9.850 -0.053 1.00 0.00 C ATOM 359 CG PRO A 22 11.553 -10.618 -0.477 1.00 0.00 C ATOM 360 CD PRO A 22 11.112 -11.630 -1.503 1.00 0.00 C ATOM 0 HA PRO A 22 8.350 -9.903 -0.966 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.597 -8.824 0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.878 -10.298 0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.304 -9.948 -0.897 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.011 -11.114 0.379 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.833 -11.712 -2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.012 -12.623 -1.065 1.00 0.00 H new ATOM 368 N GLY A 23 8.536 -8.232 -2.807 1.00 0.00 N ATOM 369 CA GLY A 23 8.641 -7.033 -3.694 1.00 0.00 C ATOM 370 C GLY A 23 7.243 -6.485 -3.996 1.00 0.00 C ATOM 371 O GLY A 23 6.829 -6.423 -5.138 1.00 0.00 O ATOM 0 H GLY A 23 7.613 -8.664 -2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.246 -6.265 -3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.145 -7.300 -4.623 1.00 0.00 H new ATOM 375 N GLY A 24 6.517 -6.084 -2.981 1.00 0.00 N ATOM 376 CA GLY A 24 5.145 -5.534 -3.204 1.00 0.00 C ATOM 377 C GLY A 24 4.112 -6.667 -3.158 1.00 0.00 C ATOM 378 O GLY A 24 4.397 -7.783 -3.554 1.00 0.00 O ATOM 0 H GLY A 24 6.817 -6.114 -2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.914 -4.789 -2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.099 -5.028 -4.168 1.00 0.00 H new ATOM 382 N PRO A 25 2.933 -6.342 -2.675 1.00 0.00 N ATOM 383 CA PRO A 25 1.841 -7.347 -2.580 1.00 0.00 C ATOM 384 C PRO A 25 1.268 -7.653 -3.971 1.00 0.00 C ATOM 385 O PRO A 25 1.395 -6.866 -4.891 1.00 0.00 O ATOM 386 CB PRO A 25 0.798 -6.661 -1.702 1.00 0.00 C ATOM 387 CG PRO A 25 1.045 -5.195 -1.875 1.00 0.00 C ATOM 388 CD PRO A 25 2.511 -5.024 -2.179 1.00 0.00 C ATOM 0 HA PRO A 25 2.173 -8.302 -2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.213 -6.929 -2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 25 0.904 -6.958 -0.659 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.435 -4.795 -2.685 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.773 -4.650 -0.971 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.675 -4.247 -2.925 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.071 -4.735 -1.290 1.00 0.00 H new ATOM 396 N ILE A 26 0.639 -8.791 -4.129 1.00 0.00 N ATOM 397 CA ILE A 26 0.056 -9.153 -5.455 1.00 0.00 C ATOM 398 C ILE A 26 -1.442 -9.443 -5.318 1.00 0.00 C ATOM 399 O ILE A 26 -1.918 -9.848 -4.273 1.00 0.00 O ATOM 400 CB ILE A 26 0.821 -10.408 -5.900 1.00 0.00 C ATOM 401 CG1 ILE A 26 2.228 -10.012 -6.370 1.00 0.00 C ATOM 402 CG2 ILE A 26 0.081 -11.104 -7.049 1.00 0.00 C ATOM 403 CD1 ILE A 26 2.135 -9.031 -7.545 1.00 0.00 C ATOM 0 H ILE A 26 0.505 -9.486 -3.394 1.00 0.00 H new ATOM 0 HA ILE A 26 0.150 -8.346 -6.181 1.00 0.00 H new ATOM 0 HB ILE A 26 0.892 -11.093 -5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.779 -9.556 -5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.783 -10.901 -6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.635 -11.992 -7.354 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.916 -11.395 -6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.003 -10.421 -7.894 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.139 -8.757 -7.870 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.602 -9.502 -8.371 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.598 -8.136 -7.230 1.00 0.00 H new ATOM 415 N GLY A 27 -2.184 -9.241 -6.378 1.00 0.00 N ATOM 416 CA GLY A 27 -3.656 -9.501 -6.342 1.00 0.00 C ATOM 417 C GLY A 27 -4.351 -8.479 -5.431 1.00 0.00 C ATOM 418 O GLY A 27 -4.733 -8.803 -4.323 1.00 0.00 O ATOM 0 H GLY A 27 -1.830 -8.905 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.068 -9.441 -7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.846 -10.511 -5.979 1.00 0.00 H new ATOM 422 N PRO A 28 -4.494 -7.272 -5.931 1.00 0.00 N ATOM 423 CA PRO A 28 -5.153 -6.196 -5.150 1.00 0.00 C ATOM 424 C PRO A 28 -6.687 -6.332 -5.207 1.00 0.00 C ATOM 425 O PRO A 28 -7.374 -6.092 -4.231 1.00 0.00 O ATOM 426 CB PRO A 28 -4.693 -4.918 -5.848 1.00 0.00 C ATOM 427 CG PRO A 28 -4.362 -5.324 -7.253 1.00 0.00 C ATOM 428 CD PRO A 28 -4.054 -6.802 -7.252 1.00 0.00 C ATOM 0 HA PRO A 28 -4.894 -6.220 -4.092 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.476 -4.160 -5.833 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.824 -4.489 -5.349 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.198 -5.110 -7.919 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.507 -4.757 -7.622 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.584 -7.318 -8.053 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.990 -6.985 -7.404 1.00 0.00 H new ATOM 436 N TYR A 29 -7.223 -6.709 -6.344 1.00 0.00 N ATOM 437 CA TYR A 29 -8.705 -6.856 -6.473 1.00 0.00 C ATOM 438 C TYR A 29 -9.148 -8.234 -5.957 1.00 0.00 C ATOM 439 O TYR A 29 -9.534 -9.099 -6.722 1.00 0.00 O ATOM 440 CB TYR A 29 -8.982 -6.725 -7.973 1.00 0.00 C ATOM 441 CG TYR A 29 -10.347 -6.119 -8.191 1.00 0.00 C ATOM 442 CD1 TYR A 29 -11.474 -6.946 -8.269 1.00 0.00 C ATOM 443 CD2 TYR A 29 -10.484 -4.733 -8.337 1.00 0.00 C ATOM 444 CE1 TYR A 29 -12.737 -6.388 -8.485 1.00 0.00 C ATOM 445 CE2 TYR A 29 -11.747 -4.173 -8.558 1.00 0.00 C ATOM 446 CZ TYR A 29 -12.876 -4.999 -8.631 1.00 0.00 C ATOM 447 OH TYR A 29 -14.124 -4.447 -8.847 1.00 0.00 O ATOM 0 H TYR A 29 -6.694 -6.922 -7.190 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.250 -6.112 -5.891 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.219 -6.102 -8.440 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.929 -7.704 -8.449 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -11.367 -8.015 -8.162 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.614 -4.096 -8.279 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.607 -7.026 -8.540 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.851 -3.104 -8.672 1.00 0.00 H new ATOM 0 HH TYR A 29 -14.042 -3.474 -8.924 1.00 0.00 H new ATOM 457 N ASN A 30 -9.093 -8.445 -4.667 1.00 0.00 N ATOM 458 CA ASN A 30 -9.504 -9.767 -4.106 1.00 0.00 C ATOM 459 C ASN A 30 -10.373 -9.585 -2.852 1.00 0.00 C ATOM 460 O ASN A 30 -10.180 -10.249 -1.851 1.00 0.00 O ATOM 461 CB ASN A 30 -8.189 -10.473 -3.759 1.00 0.00 C ATOM 462 CG ASN A 30 -7.695 -11.263 -4.974 1.00 0.00 C ATOM 463 OD1 ASN A 30 -6.809 -10.823 -5.678 1.00 0.00 O ATOM 464 ND2 ASN A 30 -8.235 -12.418 -5.252 1.00 0.00 N ATOM 0 H ASN A 30 -8.782 -7.760 -3.979 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.105 -10.341 -4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.439 -9.741 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.337 -11.143 -2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.913 -12.950 -6.060 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.979 -12.788 -4.661 1.00 0.00 H new ATOM 471 N GLY A 31 -11.336 -8.695 -2.901 1.00 0.00 N ATOM 472 CA GLY A 31 -12.214 -8.484 -1.713 1.00 0.00 C ATOM 473 C GLY A 31 -12.997 -7.172 -1.845 1.00 0.00 C ATOM 474 O GLY A 31 -13.032 -6.377 -0.924 1.00 0.00 O ATOM 0 H GLY A 31 -11.549 -8.110 -3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.908 -9.319 -1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.609 -8.463 -0.806 1.00 0.00 H new ATOM 478 N CYS A 32 -13.636 -6.943 -2.969 1.00 0.00 N ATOM 479 CA CYS A 32 -14.428 -5.683 -3.146 1.00 0.00 C ATOM 480 C CYS A 32 -15.225 -5.726 -4.464 1.00 0.00 C ATOM 481 O CYS A 32 -14.696 -5.422 -5.518 1.00 0.00 O ATOM 482 CB CYS A 32 -13.396 -4.551 -3.174 1.00 0.00 C ATOM 483 SG CYS A 32 -14.196 -3.004 -2.678 1.00 0.00 S ATOM 0 H CYS A 32 -13.643 -7.574 -3.771 1.00 0.00 H new ATOM 0 HA CYS A 32 -15.154 -5.545 -2.345 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.570 -4.779 -2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.974 -4.452 -4.174 1.00 0.00 H new ATOM 488 N PRO A 33 -16.479 -6.108 -4.357 1.00 0.00 N ATOM 489 CA PRO A 33 -17.367 -6.192 -5.555 1.00 0.00 C ATOM 490 C PRO A 33 -17.689 -4.796 -6.122 1.00 0.00 C ATOM 491 O PRO A 33 -17.562 -3.791 -5.444 1.00 0.00 O ATOM 492 CB PRO A 33 -18.631 -6.862 -5.011 1.00 0.00 C ATOM 493 CG PRO A 33 -18.627 -6.557 -3.549 1.00 0.00 C ATOM 494 CD PRO A 33 -17.184 -6.502 -3.127 1.00 0.00 C ATOM 0 HA PRO A 33 -16.908 -6.739 -6.378 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.526 -6.470 -5.494 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.617 -7.937 -5.191 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -19.126 -5.609 -3.349 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -19.165 -7.324 -2.991 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -17.028 -5.779 -2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.837 -7.467 -2.758 1.00 0.00 H new ATOM 502 N VAL A 34 -18.111 -4.737 -7.365 1.00 0.00 N ATOM 503 CA VAL A 34 -18.450 -3.420 -7.994 1.00 0.00 C ATOM 504 C VAL A 34 -19.849 -2.959 -7.556 1.00 0.00 C ATOM 505 O VAL A 34 -20.088 -1.780 -7.369 1.00 0.00 O ATOM 506 CB VAL A 34 -18.427 -3.670 -9.510 1.00 0.00 C ATOM 507 CG1 VAL A 34 -19.000 -2.454 -10.246 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.989 -3.898 -9.975 1.00 0.00 C ATOM 0 H VAL A 34 -18.235 -5.547 -7.972 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.747 -2.641 -7.698 1.00 0.00 H new ATOM 0 HB VAL A 34 -19.030 -4.551 -9.731 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.981 -2.637 -11.320 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -20.028 -2.285 -9.925 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -18.399 -1.574 -10.017 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.978 -4.075 -11.051 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -16.389 -3.018 -9.746 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.573 -4.764 -9.461 1.00 0.00 H new ATOM 518 N SER A 35 -20.771 -3.879 -7.401 1.00 0.00 N ATOM 519 CA SER A 35 -22.160 -3.500 -6.984 1.00 0.00 C ATOM 520 C SER A 35 -22.191 -2.993 -5.532 1.00 0.00 C ATOM 521 O SER A 35 -23.163 -2.398 -5.108 1.00 0.00 O ATOM 522 CB SER A 35 -22.979 -4.788 -7.119 1.00 0.00 C ATOM 523 OG SER A 35 -24.318 -4.461 -7.474 1.00 0.00 O ATOM 0 H SER A 35 -20.622 -4.878 -7.545 1.00 0.00 H new ATOM 0 HA SER A 35 -22.555 -2.690 -7.597 1.00 0.00 H new ATOM 0 HB2 SER A 35 -22.538 -5.435 -7.877 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.965 -5.341 -6.180 1.00 0.00 H new ATOM 0 HG SER A 35 -24.843 -5.284 -7.562 1.00 0.00 H new ATOM 529 N CYS A 36 -21.143 -3.229 -4.768 1.00 0.00 N ATOM 530 CA CYS A 36 -21.113 -2.769 -3.339 1.00 0.00 C ATOM 531 C CYS A 36 -22.295 -3.357 -2.550 1.00 0.00 C ATOM 532 O CYS A 36 -22.759 -2.778 -1.582 1.00 0.00 O ATOM 533 CB CYS A 36 -21.199 -1.239 -3.393 1.00 0.00 C ATOM 534 SG CYS A 36 -19.576 -0.555 -3.821 1.00 0.00 S ATOM 0 H CYS A 36 -20.305 -3.722 -5.076 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.207 -3.100 -2.831 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -21.940 -0.932 -4.131 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.527 -0.849 -2.430 1.00 0.00 H new ATOM 539 N ARG A 37 -22.778 -4.508 -2.953 1.00 0.00 N ATOM 540 CA ARG A 37 -23.921 -5.142 -2.232 1.00 0.00 C ATOM 541 C ARG A 37 -23.447 -6.405 -1.508 1.00 0.00 C ATOM 542 O ARG A 37 -22.524 -7.071 -1.943 1.00 0.00 O ATOM 543 CB ARG A 37 -24.939 -5.497 -3.321 1.00 0.00 C ATOM 544 CG ARG A 37 -25.511 -4.215 -3.932 1.00 0.00 C ATOM 545 CD ARG A 37 -27.038 -4.312 -3.991 1.00 0.00 C ATOM 546 NE ARG A 37 -27.501 -2.926 -4.288 1.00 0.00 N ATOM 547 CZ ARG A 37 -28.045 -2.202 -3.346 1.00 0.00 C ATOM 548 NH1 ARG A 37 -27.283 -1.533 -2.520 1.00 0.00 N ATOM 549 NH2 ARG A 37 -29.346 -2.149 -3.232 1.00 0.00 N ATOM 0 H ARG A 37 -22.427 -5.035 -3.753 1.00 0.00 H new ATOM 0 HA ARG A 37 -24.351 -4.482 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -24.463 -6.099 -4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -25.743 -6.100 -2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -25.214 -3.352 -3.336 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -25.107 -4.065 -4.933 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -27.360 -5.010 -4.764 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -27.448 -4.671 -3.047 1.00 0.00 H new ATOM 0 HE ARG A 37 -27.393 -2.543 -5.227 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -26.268 -1.578 -2.613 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -27.704 -0.967 -1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -29.936 -2.673 -3.878 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -29.771 -1.584 -2.497 1.00 0.00 H new ATOM 563 N GLY A 38 -24.071 -6.738 -0.406 1.00 0.00 N ATOM 564 CA GLY A 38 -23.663 -7.957 0.355 1.00 0.00 C ATOM 565 C GLY A 38 -22.381 -7.679 1.151 1.00 0.00 C ATOM 566 O GLY A 38 -21.557 -8.556 1.329 1.00 0.00 O ATOM 0 H GLY A 38 -24.848 -6.216 0.000 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -24.463 -8.257 1.032 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.500 -8.787 -0.333 1.00 0.00 H new ATOM 570 N ILE A 39 -22.209 -6.473 1.640 1.00 0.00 N ATOM 571 CA ILE A 39 -20.984 -6.150 2.433 1.00 0.00 C ATOM 572 C ILE A 39 -21.371 -5.476 3.751 1.00 0.00 C ATOM 573 O ILE A 39 -22.410 -4.849 3.862 1.00 0.00 O ATOM 574 CB ILE A 39 -20.141 -5.198 1.568 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.852 -3.843 1.433 1.00 0.00 C ATOM 576 CG2 ILE A 39 -19.925 -5.809 0.179 1.00 0.00 C ATOM 577 CD1 ILE A 39 -20.059 -2.933 0.489 1.00 0.00 C ATOM 0 H ILE A 39 -22.865 -5.700 1.523 1.00 0.00 H new ATOM 0 HA ILE A 39 -20.423 -7.051 2.681 1.00 0.00 H new ATOM 0 HB ILE A 39 -19.174 -5.047 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.862 -3.988 1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -20.947 -3.373 2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -19.327 -5.129 -0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -19.404 -6.761 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -20.890 -5.971 -0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.567 -1.973 0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -19.058 -2.776 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -19.987 -3.401 -0.493 1.00 0.00 H new ATOM 589 N SER A 40 -20.536 -5.597 4.746 1.00 0.00 N ATOM 590 CA SER A 40 -20.834 -4.966 6.060 1.00 0.00 C ATOM 591 C SER A 40 -20.398 -3.501 6.040 1.00 0.00 C ATOM 592 O SER A 40 -19.600 -3.097 5.213 1.00 0.00 O ATOM 593 CB SER A 40 -20.010 -5.753 7.082 1.00 0.00 C ATOM 594 OG SER A 40 -20.065 -7.140 6.776 1.00 0.00 O ATOM 0 H SER A 40 -19.655 -6.109 4.704 1.00 0.00 H new ATOM 0 HA SER A 40 -21.898 -4.987 6.297 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.976 -5.409 7.072 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.394 -5.577 8.087 1.00 0.00 H new ATOM 0 HG SER A 40 -19.535 -7.641 7.431 1.00 0.00 H new ATOM 600 N PHE A 41 -20.905 -2.703 6.947 1.00 0.00 N ATOM 601 CA PHE A 41 -20.504 -1.261 6.986 1.00 0.00 C ATOM 602 C PHE A 41 -18.984 -1.155 7.155 1.00 0.00 C ATOM 603 O PHE A 41 -18.337 -0.344 6.520 1.00 0.00 O ATOM 604 CB PHE A 41 -21.228 -0.670 8.200 1.00 0.00 C ATOM 605 CG PHE A 41 -21.274 0.837 8.081 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.182 1.444 7.206 1.00 0.00 C ATOM 607 CD2 PHE A 41 -20.407 1.624 8.848 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.225 2.840 7.098 1.00 0.00 C ATOM 609 CE2 PHE A 41 -20.449 3.020 8.740 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.358 3.627 7.865 1.00 0.00 C ATOM 0 H PHE A 41 -21.577 -2.986 7.660 1.00 0.00 H new ATOM 0 HA PHE A 41 -20.766 -0.730 6.071 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.240 -1.071 8.263 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -20.714 -0.957 9.117 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -22.850 0.836 6.614 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -19.706 1.155 9.523 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.926 3.309 6.424 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -19.780 3.628 9.331 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.390 4.703 7.782 1.00 0.00 H new ATOM 620 N SER A 42 -18.411 -1.982 7.997 1.00 0.00 N ATOM 621 CA SER A 42 -16.931 -1.952 8.204 1.00 0.00 C ATOM 622 C SER A 42 -16.212 -2.431 6.937 1.00 0.00 C ATOM 623 O SER A 42 -15.166 -1.923 6.581 1.00 0.00 O ATOM 624 CB SER A 42 -16.668 -2.914 9.366 1.00 0.00 C ATOM 625 OG SER A 42 -15.440 -2.576 9.998 1.00 0.00 O ATOM 0 H SER A 42 -18.908 -2.679 8.551 1.00 0.00 H new ATOM 0 HA SER A 42 -16.566 -0.948 8.419 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.485 -2.863 10.086 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.630 -3.940 9.000 1.00 0.00 H new ATOM 0 HG SER A 42 -15.275 -3.192 10.742 1.00 0.00 H new ATOM 631 N GLN A 43 -16.773 -3.398 6.248 1.00 0.00 N ATOM 632 CA GLN A 43 -16.128 -3.901 4.998 1.00 0.00 C ATOM 633 C GLN A 43 -16.167 -2.816 3.918 1.00 0.00 C ATOM 634 O GLN A 43 -15.212 -2.624 3.188 1.00 0.00 O ATOM 635 CB GLN A 43 -16.963 -5.112 4.574 1.00 0.00 C ATOM 636 CG GLN A 43 -16.082 -6.105 3.814 1.00 0.00 C ATOM 637 CD GLN A 43 -16.940 -7.269 3.314 1.00 0.00 C ATOM 638 OE1 GLN A 43 -17.067 -8.276 3.982 1.00 0.00 O ATOM 639 NE2 GLN A 43 -17.545 -7.172 2.162 1.00 0.00 N ATOM 0 H GLN A 43 -17.648 -3.858 6.499 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.082 -4.166 5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.396 -5.593 5.451 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.793 -4.791 3.944 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.598 -5.608 2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.290 -6.476 4.464 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -17.439 -6.327 1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -18.124 -7.941 1.823 1.00 0.00 H new ATOM 648 N ALA A 44 -17.264 -2.101 3.819 1.00 0.00 N ATOM 649 CA ALA A 44 -17.374 -1.020 2.795 1.00 0.00 C ATOM 650 C ALA A 44 -16.456 0.152 3.160 1.00 0.00 C ATOM 651 O ALA A 44 -15.891 0.800 2.298 1.00 0.00 O ATOM 652 CB ALA A 44 -18.843 -0.589 2.826 1.00 0.00 C ATOM 0 H ALA A 44 -18.089 -2.223 4.407 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.073 -1.358 1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.004 0.206 2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.477 -1.441 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.094 -0.225 3.822 1.00 0.00 H new ATOM 658 N ARG A 45 -16.296 0.422 4.435 1.00 0.00 N ATOM 659 CA ARG A 45 -15.405 1.544 4.862 1.00 0.00 C ATOM 660 C ARG A 45 -13.935 1.187 4.593 1.00 0.00 C ATOM 661 O ARG A 45 -13.117 2.048 4.327 1.00 0.00 O ATOM 662 CB ARG A 45 -15.649 1.707 6.366 1.00 0.00 C ATOM 663 CG ARG A 45 -16.097 3.141 6.661 1.00 0.00 C ATOM 664 CD ARG A 45 -17.154 3.133 7.771 1.00 0.00 C ATOM 665 NE ARG A 45 -16.384 3.066 9.048 1.00 0.00 N ATOM 666 CZ ARG A 45 -17.004 3.190 10.190 1.00 0.00 C ATOM 667 NH1 ARG A 45 -17.647 2.170 10.698 1.00 0.00 N ATOM 668 NH2 ARG A 45 -16.981 4.333 10.824 1.00 0.00 N ATOM 0 H ARG A 45 -16.745 -0.087 5.196 1.00 0.00 H new ATOM 0 HA ARG A 45 -15.616 2.463 4.316 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.410 1.002 6.700 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.738 1.479 6.919 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.242 3.745 6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.506 3.598 5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -17.773 4.030 7.731 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.824 2.279 7.670 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.374 2.923 9.028 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.663 1.279 10.202 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.132 2.266 11.590 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.479 5.127 10.426 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.465 4.431 11.716 1.00 0.00 H new ATOM 682 N SER A 46 -13.598 -0.079 4.673 1.00 0.00 N ATOM 683 CA SER A 46 -12.186 -0.506 4.437 1.00 0.00 C ATOM 684 C SER A 46 -11.807 -0.385 2.955 1.00 0.00 C ATOM 685 O SER A 46 -10.735 0.085 2.626 1.00 0.00 O ATOM 686 CB SER A 46 -12.134 -1.969 4.882 1.00 0.00 C ATOM 687 OG SER A 46 -10.803 -2.298 5.259 1.00 0.00 O ATOM 0 H SER A 46 -14.245 -0.836 4.893 1.00 0.00 H new ATOM 0 HA SER A 46 -11.482 0.121 4.985 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.812 -2.131 5.720 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.466 -2.619 4.073 1.00 0.00 H new ATOM 0 HG SER A 46 -10.766 -3.234 5.546 1.00 0.00 H new ATOM 693 N CYS A 47 -12.666 -0.814 2.058 1.00 0.00 N ATOM 694 CA CYS A 47 -12.325 -0.728 0.602 1.00 0.00 C ATOM 695 C CYS A 47 -12.447 0.709 0.081 1.00 0.00 C ATOM 696 O CYS A 47 -11.754 1.089 -0.843 1.00 0.00 O ATOM 697 CB CYS A 47 -13.320 -1.639 -0.118 1.00 0.00 C ATOM 698 SG CYS A 47 -12.721 -1.945 -1.800 1.00 0.00 S ATOM 0 H CYS A 47 -13.579 -1.216 2.269 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.293 -1.034 0.428 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.428 -2.580 0.421 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.305 -1.173 -0.147 1.00 0.00 H new ATOM 703 N CYS A 48 -13.313 1.510 0.654 1.00 0.00 N ATOM 704 CA CYS A 48 -13.453 2.919 0.164 1.00 0.00 C ATOM 705 C CYS A 48 -12.134 3.677 0.357 1.00 0.00 C ATOM 706 O CYS A 48 -11.698 4.409 -0.509 1.00 0.00 O ATOM 707 CB CYS A 48 -14.554 3.544 1.019 1.00 0.00 C ATOM 708 SG CYS A 48 -14.771 5.282 0.556 1.00 0.00 S ATOM 0 H CYS A 48 -13.923 1.254 1.431 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.697 2.958 -0.898 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.489 3.001 0.880 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.295 3.468 2.075 1.00 0.00 H new ATOM 713 N SER A 49 -11.495 3.502 1.485 1.00 0.00 N ATOM 714 CA SER A 49 -10.203 4.209 1.731 1.00 0.00 C ATOM 715 C SER A 49 -9.030 3.419 1.133 1.00 0.00 C ATOM 716 O SER A 49 -7.996 3.976 0.820 1.00 0.00 O ATOM 717 CB SER A 49 -10.075 4.287 3.253 1.00 0.00 C ATOM 718 OG SER A 49 -9.026 5.184 3.587 1.00 0.00 O ATOM 0 H SER A 49 -11.812 2.901 2.246 1.00 0.00 H new ATOM 0 HA SER A 49 -10.184 5.195 1.267 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.013 4.626 3.692 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.869 3.299 3.664 1.00 0.00 H new ATOM 0 HG SER A 49 -8.941 5.239 4.562 1.00 0.00 H new ATOM 724 N ARG A 50 -9.182 2.129 0.982 1.00 0.00 N ATOM 725 CA ARG A 50 -8.076 1.296 0.418 1.00 0.00 C ATOM 726 C ARG A 50 -8.051 1.366 -1.116 1.00 0.00 C ATOM 727 O ARG A 50 -6.999 1.298 -1.721 1.00 0.00 O ATOM 728 CB ARG A 50 -8.385 -0.129 0.882 1.00 0.00 C ATOM 729 CG ARG A 50 -7.133 -0.998 0.763 1.00 0.00 C ATOM 730 CD ARG A 50 -7.367 -2.322 1.498 1.00 0.00 C ATOM 731 NE ARG A 50 -6.117 -2.564 2.276 1.00 0.00 N ATOM 732 CZ ARG A 50 -5.734 -3.786 2.526 1.00 0.00 C ATOM 733 NH1 ARG A 50 -5.111 -4.473 1.603 1.00 0.00 N ATOM 734 NH2 ARG A 50 -5.974 -4.321 3.693 1.00 0.00 N ATOM 0 H ARG A 50 -10.028 1.614 1.226 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.099 1.643 0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.733 -0.117 1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -9.190 -0.551 0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.905 -1.186 -0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.274 -0.479 1.188 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.234 -2.259 2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.557 -3.134 0.796 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.563 -1.776 2.612 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.926 -4.053 0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.810 -5.429 1.794 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.461 -3.783 4.410 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.674 -5.276 3.887 1.00 0.00 H new ATOM 748 N LEU A 51 -9.195 1.482 -1.752 1.00 0.00 N ATOM 749 CA LEU A 51 -9.214 1.531 -3.250 1.00 0.00 C ATOM 750 C LEU A 51 -10.269 2.515 -3.790 1.00 0.00 C ATOM 751 O LEU A 51 -10.529 2.547 -4.978 1.00 0.00 O ATOM 752 CB LEU A 51 -9.556 0.102 -3.678 1.00 0.00 C ATOM 753 CG LEU A 51 -8.272 -0.639 -4.062 1.00 0.00 C ATOM 754 CD1 LEU A 51 -8.419 -2.123 -3.725 1.00 0.00 C ATOM 755 CD2 LEU A 51 -8.021 -0.480 -5.565 1.00 0.00 C ATOM 0 H LEU A 51 -10.109 1.544 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.259 1.880 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.061 -0.421 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.245 0.119 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.432 -0.222 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.505 -2.650 -3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.598 -2.237 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.259 -2.541 -4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.107 -1.007 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.861 -0.897 -6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.916 0.578 -5.806 1.00 0.00 H new ATOM 767 N GLY A 52 -10.875 3.316 -2.946 1.00 0.00 N ATOM 768 CA GLY A 52 -11.903 4.286 -3.439 1.00 0.00 C ATOM 769 C GLY A 52 -13.140 3.533 -3.957 1.00 0.00 C ATOM 770 O GLY A 52 -13.846 4.019 -4.821 1.00 0.00 O ATOM 0 H GLY A 52 -10.703 3.340 -1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.191 4.962 -2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.482 4.900 -4.236 1.00 0.00 H new ATOM 774 N ARG A 53 -13.410 2.356 -3.441 1.00 0.00 N ATOM 775 CA ARG A 53 -14.602 1.585 -3.912 1.00 0.00 C ATOM 776 C ARG A 53 -15.618 1.410 -2.781 1.00 0.00 C ATOM 777 O ARG A 53 -15.262 1.265 -1.629 1.00 0.00 O ATOM 778 CB ARG A 53 -14.065 0.221 -4.352 1.00 0.00 C ATOM 779 CG ARG A 53 -13.721 0.260 -5.845 1.00 0.00 C ATOM 780 CD ARG A 53 -14.829 -0.434 -6.649 1.00 0.00 C ATOM 781 NE ARG A 53 -15.594 0.670 -7.301 1.00 0.00 N ATOM 782 CZ ARG A 53 -16.900 0.643 -7.315 1.00 0.00 C ATOM 783 NH1 ARG A 53 -17.525 -0.243 -8.045 1.00 0.00 N ATOM 784 NH2 ARG A 53 -17.579 1.508 -6.605 1.00 0.00 N ATOM 0 H ARG A 53 -12.857 1.899 -2.716 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.114 2.103 -4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.179 -0.037 -3.771 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.808 -0.553 -4.160 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.611 1.293 -6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.766 -0.235 -6.021 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.410 -1.113 -7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.472 -1.028 -6.000 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.096 1.447 -7.736 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.993 -0.912 -8.602 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.545 -0.266 -8.057 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -17.088 2.202 -6.041 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -18.599 1.488 -6.615 1.00 0.00 H new ATOM 798 N CYS A 54 -16.883 1.433 -3.122 1.00 0.00 N ATOM 799 CA CYS A 54 -17.977 1.281 -2.109 1.00 0.00 C ATOM 800 C CYS A 54 -17.909 2.434 -1.111 1.00 0.00 C ATOM 801 O CYS A 54 -17.881 2.246 0.091 1.00 0.00 O ATOM 802 CB CYS A 54 -17.747 -0.076 -1.425 1.00 0.00 C ATOM 803 SG CYS A 54 -18.298 -1.421 -2.513 1.00 0.00 S ATOM 0 H CYS A 54 -17.211 1.553 -4.080 1.00 0.00 H new ATOM 0 HA CYS A 54 -18.968 1.309 -2.562 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.690 -0.199 -1.188 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -18.292 -0.114 -0.482 1.00 0.00 H new ATOM 808 N CYS A 55 -17.874 3.633 -1.624 1.00 0.00 N ATOM 809 CA CYS A 55 -17.796 4.837 -0.755 1.00 0.00 C ATOM 810 C CYS A 55 -19.187 5.458 -0.533 1.00 0.00 C ATOM 811 O CYS A 55 -19.334 6.400 0.221 1.00 0.00 O ATOM 812 CB CYS A 55 -16.893 5.793 -1.535 1.00 0.00 C ATOM 813 SG CYS A 55 -15.176 5.228 -1.421 1.00 0.00 S ATOM 0 H CYS A 55 -17.897 3.830 -2.624 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.414 4.608 0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -17.205 5.835 -2.579 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -16.982 6.803 -1.135 1.00 0.00 H new ATOM 818 N HIS A 56 -20.209 4.939 -1.177 1.00 0.00 N ATOM 819 CA HIS A 56 -21.581 5.497 -0.997 1.00 0.00 C ATOM 820 C HIS A 56 -22.552 4.379 -0.591 1.00 0.00 C ATOM 821 O HIS A 56 -23.627 4.240 -1.146 1.00 0.00 O ATOM 822 CB HIS A 56 -21.950 6.077 -2.368 1.00 0.00 C ATOM 823 CG HIS A 56 -22.949 7.192 -2.201 1.00 0.00 C ATOM 824 ND1 HIS A 56 -23.813 7.566 -3.219 1.00 0.00 N ATOM 825 CD2 HIS A 56 -23.233 8.025 -1.147 1.00 0.00 C ATOM 826 CE1 HIS A 56 -24.567 8.581 -2.761 1.00 0.00 C ATOM 827 NE2 HIS A 56 -24.254 8.901 -1.502 1.00 0.00 N ATOM 0 H HIS A 56 -20.147 4.150 -1.821 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.630 6.253 -0.213 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -21.056 6.450 -2.867 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.367 5.295 -3.003 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -22.738 8.003 -0.187 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -25.332 9.077 -3.340 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -24.673 9.630 -0.925 1.00 0.00 H new ATOM 835 N VAL A 57 -22.170 3.577 0.375 1.00 0.00 N ATOM 836 CA VAL A 57 -23.057 2.460 0.827 1.00 0.00 C ATOM 837 C VAL A 57 -23.971 2.931 1.967 1.00 0.00 C ATOM 838 O VAL A 57 -23.579 3.727 2.801 1.00 0.00 O ATOM 839 CB VAL A 57 -22.104 1.363 1.322 1.00 0.00 C ATOM 840 CG1 VAL A 57 -22.910 0.160 1.817 1.00 0.00 C ATOM 841 CG2 VAL A 57 -21.193 0.919 0.176 1.00 0.00 C ATOM 0 H VAL A 57 -21.281 3.649 0.870 1.00 0.00 H new ATOM 0 HA VAL A 57 -23.706 2.105 0.026 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.501 1.758 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.229 -0.615 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.559 0.469 2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.517 -0.232 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.517 0.140 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.800 0.529 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.612 1.771 -0.178 1.00 0.00 H new ATOM 851 N GLY A 58 -25.186 2.438 2.010 1.00 0.00 N ATOM 852 CA GLY A 58 -26.135 2.843 3.093 1.00 0.00 C ATOM 853 C GLY A 58 -26.943 4.067 2.650 1.00 0.00 C ATOM 854 O GLY A 58 -26.416 4.982 2.044 1.00 0.00 O ATOM 0 H GLY A 58 -25.562 1.769 1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -26.808 2.018 3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.583 3.072 4.005 1.00 0.00 H new ATOM 858 N LYS A 59 -28.220 4.090 2.948 1.00 0.00 N ATOM 859 CA LYS A 59 -29.068 5.257 2.543 1.00 0.00 C ATOM 860 C LYS A 59 -28.706 6.500 3.373 1.00 0.00 C ATOM 861 O LYS A 59 -29.022 6.597 4.546 1.00 0.00 O ATOM 862 CB LYS A 59 -30.527 4.829 2.788 1.00 0.00 C ATOM 863 CG LYS A 59 -30.708 4.307 4.221 1.00 0.00 C ATOM 864 CD LYS A 59 -31.995 4.884 4.820 1.00 0.00 C ATOM 865 CE LYS A 59 -31.857 4.974 6.343 1.00 0.00 C ATOM 866 NZ LYS A 59 -31.267 6.319 6.605 1.00 0.00 N ATOM 0 H LYS A 59 -28.712 3.353 3.453 1.00 0.00 H new ATOM 0 HA LYS A 59 -28.911 5.525 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -31.193 5.675 2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -30.808 4.054 2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -30.752 3.218 4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -29.851 4.590 4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -32.191 5.872 4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -32.845 4.253 4.558 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -32.825 4.867 6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -31.215 4.181 6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -30.895 6.352 7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -30.494 6.496 5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -32.000 7.048 6.490 1.00 0.00 H new ATOM 880 N GLY A 60 -28.038 7.449 2.763 1.00 0.00 N ATOM 881 CA GLY A 60 -27.638 8.690 3.493 1.00 0.00 C ATOM 882 C GLY A 60 -26.219 8.529 4.054 1.00 0.00 C ATOM 883 O GLY A 60 -25.604 7.486 3.925 1.00 0.00 O ATOM 0 H GLY A 60 -27.752 7.416 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -27.678 9.547 2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -28.339 8.888 4.304 1.00 0.00 H new ATOM 887 N TYR A 61 -25.695 9.558 4.674 1.00 0.00 N ATOM 888 CA TYR A 61 -24.315 9.474 5.242 1.00 0.00 C ATOM 889 C TYR A 61 -24.316 8.629 6.521 1.00 0.00 C ATOM 890 O TYR A 61 -25.314 8.537 7.212 1.00 0.00 O ATOM 891 CB TYR A 61 -23.919 10.920 5.550 1.00 0.00 C ATOM 892 CG TYR A 61 -22.434 10.996 5.819 1.00 0.00 C ATOM 893 CD1 TYR A 61 -21.521 10.834 4.767 1.00 0.00 C ATOM 894 CD2 TYR A 61 -21.969 11.230 7.118 1.00 0.00 C ATOM 895 CE1 TYR A 61 -20.147 10.904 5.018 1.00 0.00 C ATOM 896 CE2 TYR A 61 -20.593 11.302 7.367 1.00 0.00 C ATOM 897 CZ TYR A 61 -19.683 11.139 6.317 1.00 0.00 C ATOM 898 OH TYR A 61 -18.327 11.210 6.563 1.00 0.00 O ATOM 0 H TYR A 61 -26.165 10.453 4.811 1.00 0.00 H new ATOM 0 HA TYR A 61 -23.616 9.001 4.553 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -24.180 11.565 4.711 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -24.474 11.283 6.415 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -21.879 10.655 3.764 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -22.672 11.355 7.929 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -19.443 10.777 4.209 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -20.234 11.483 8.369 1.00 0.00 H new ATOM 0 HH TYR A 61 -18.176 11.380 7.516 1.00 0.00 H new ATOM 908 N SER A 62 -23.196 8.016 6.833 1.00 0.00 N ATOM 909 CA SER A 62 -23.090 7.164 8.062 1.00 0.00 C ATOM 910 C SER A 62 -24.109 6.017 8.027 1.00 0.00 C ATOM 911 O SER A 62 -24.887 5.884 7.100 1.00 0.00 O ATOM 912 CB SER A 62 -23.367 8.102 9.239 1.00 0.00 C ATOM 913 OG SER A 62 -22.374 9.119 9.277 1.00 0.00 O ATOM 0 H SER A 62 -22.340 8.071 6.280 1.00 0.00 H new ATOM 0 HA SER A 62 -22.108 6.699 8.141 1.00 0.00 H new ATOM 0 HB2 SER A 62 -24.356 8.548 9.138 1.00 0.00 H new ATOM 0 HB3 SER A 62 -23.365 7.541 10.174 1.00 0.00 H new ATOM 0 HG SER A 62 -22.492 9.721 8.512 1.00 0.00 H new ATOM 919 N GLY A 63 -24.099 5.181 9.033 1.00 0.00 N ATOM 920 CA GLY A 63 -25.054 4.035 9.071 1.00 0.00 C ATOM 921 C GLY A 63 -24.654 3.073 10.191 1.00 0.00 C ATOM 922 O GLY A 63 -23.958 2.114 9.901 1.00 0.00 O ATOM 923 OXT GLY A 63 -25.047 3.315 11.321 1.00 0.00 O ATOM 0 H GLY A 63 -23.468 5.244 9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -26.068 4.399 9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -25.053 3.515 8.113 1.00 0.00 H new TER 927 GLY A 63