USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 784 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 GLY N :NH3+ -105:sc= 0.0281 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 11:sc= 0.34! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 165:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 158:sc= -0.0822 (180deg=-0.843) USER MOD Single : A 30 SER OG : rot 69:sc=0.000618 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 36:sc= 0.357 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0193 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -117:sc= -1.76 (180deg=-2.78) USER MOD Single : A 69 SER OG : rot 180:sc= -0.594 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 156:sc= 1.25 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -8.53! C(o=-8.5!,f=-8.5!) USER MOD Single : A 92 SER OG : rot 23:sc= -0.126 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -122:sc=-0.00383 (180deg=-1.87!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.663 18.612 -15.798 1.00 0.00 N ATOM 2 CA GLY A 1 29.082 17.411 -15.226 1.00 0.00 C ATOM 3 C GLY A 1 27.663 17.628 -14.740 1.00 0.00 C ATOM 4 O GLY A 1 27.304 18.729 -14.322 1.00 0.00 O ATOM 0 H1 GLY A 1 29.687 18.526 -16.834 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.088 19.437 -15.532 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.631 18.735 -15.438 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.090 16.617 -15.972 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.700 17.073 -14.394 1.00 0.00 H new ATOM 8 N SER A 2 26.853 16.575 -14.796 1.00 0.00 N ATOM 9 CA SER A 2 25.463 16.657 -14.364 1.00 0.00 C ATOM 10 C SER A 2 25.367 16.668 -12.841 1.00 0.00 C ATOM 11 O SER A 2 24.878 17.628 -12.246 1.00 0.00 O ATOM 12 CB SER A 2 24.661 15.482 -14.928 1.00 0.00 C ATOM 13 OG SER A 2 24.314 15.707 -16.284 1.00 0.00 O ATOM 0 H SER A 2 27.136 15.656 -15.136 1.00 0.00 H new ATOM 0 HA SER A 2 25.045 17.589 -14.744 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.245 14.566 -14.846 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.757 15.337 -14.337 1.00 0.00 H new ATOM 0 HG SER A 2 23.804 14.942 -16.622 1.00 0.00 H new ATOM 19 N SER A 3 25.837 15.592 -12.218 1.00 0.00 N ATOM 20 CA SER A 3 25.802 15.475 -10.765 1.00 0.00 C ATOM 21 C SER A 3 26.428 16.700 -10.105 1.00 0.00 C ATOM 22 O SER A 3 27.437 17.224 -10.574 1.00 0.00 O ATOM 23 CB SER A 3 26.536 14.209 -10.316 1.00 0.00 C ATOM 24 OG SER A 3 27.918 14.286 -10.620 1.00 0.00 O ATOM 0 H SER A 3 26.246 14.789 -12.696 1.00 0.00 H new ATOM 0 HA SER A 3 24.759 15.411 -10.456 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.404 14.069 -9.243 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.100 13.339 -10.807 1.00 0.00 H new ATOM 0 HG SER A 3 28.365 13.466 -10.322 1.00 0.00 H new ATOM 30 N GLY A 4 25.820 17.151 -9.012 1.00 0.00 N ATOM 31 CA GLY A 4 26.330 18.311 -8.305 1.00 0.00 C ATOM 32 C GLY A 4 25.392 18.783 -7.212 1.00 0.00 C ATOM 33 O GLY A 4 24.915 17.984 -6.406 1.00 0.00 O ATOM 0 H GLY A 4 24.984 16.734 -8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.299 18.069 -7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.493 19.122 -9.015 1.00 0.00 H new ATOM 37 N SER A 5 25.128 20.085 -7.182 1.00 0.00 N ATOM 38 CA SER A 5 24.245 20.663 -6.176 1.00 0.00 C ATOM 39 C SER A 5 23.060 19.743 -5.899 1.00 0.00 C ATOM 40 O SER A 5 22.585 19.039 -6.791 1.00 0.00 O ATOM 41 CB SER A 5 23.744 22.035 -6.634 1.00 0.00 C ATOM 42 OG SER A 5 24.754 23.018 -6.497 1.00 0.00 O ATOM 0 H SER A 5 25.513 20.760 -7.843 1.00 0.00 H new ATOM 0 HA SER A 5 24.814 20.781 -5.254 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.424 21.980 -7.675 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.871 22.321 -6.047 1.00 0.00 H new ATOM 0 HG SER A 5 24.410 23.885 -6.798 1.00 0.00 H new ATOM 48 N SER A 6 22.587 19.754 -4.657 1.00 0.00 N ATOM 49 CA SER A 6 21.460 18.918 -4.261 1.00 0.00 C ATOM 50 C SER A 6 20.160 19.432 -4.873 1.00 0.00 C ATOM 51 O SER A 6 19.845 20.617 -4.782 1.00 0.00 O ATOM 52 CB SER A 6 21.339 18.878 -2.736 1.00 0.00 C ATOM 53 OG SER A 6 20.781 20.081 -2.237 1.00 0.00 O ATOM 0 H SER A 6 22.967 20.333 -3.908 1.00 0.00 H new ATOM 0 HA SER A 6 21.640 17.909 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.716 18.034 -2.440 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.323 18.719 -2.294 1.00 0.00 H new ATOM 0 HG SER A 6 20.429 20.612 -2.982 1.00 0.00 H new ATOM 59 N GLY A 7 19.409 18.529 -5.496 1.00 0.00 N ATOM 60 CA GLY A 7 18.152 18.909 -6.114 1.00 0.00 C ATOM 61 C GLY A 7 16.957 18.264 -5.441 1.00 0.00 C ATOM 62 O GLY A 7 16.051 17.769 -6.112 1.00 0.00 O ATOM 0 H GLY A 7 19.649 17.541 -5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.045 19.993 -6.076 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.168 18.627 -7.167 1.00 0.00 H new ATOM 66 N ILE A 8 16.955 18.267 -4.112 1.00 0.00 N ATOM 67 CA ILE A 8 15.862 17.678 -3.349 1.00 0.00 C ATOM 68 C ILE A 8 14.509 18.119 -3.896 1.00 0.00 C ATOM 69 O ILE A 8 14.331 19.272 -4.286 1.00 0.00 O ATOM 70 CB ILE A 8 15.948 18.055 -1.859 1.00 0.00 C ATOM 71 CG1 ILE A 8 17.285 17.598 -1.271 1.00 0.00 C ATOM 72 CG2 ILE A 8 14.788 17.441 -1.089 1.00 0.00 C ATOM 73 CD1 ILE A 8 17.705 18.378 -0.045 1.00 0.00 C ATOM 0 H ILE A 8 17.698 18.671 -3.542 1.00 0.00 H new ATOM 0 HA ILE A 8 15.956 16.597 -3.448 1.00 0.00 H new ATOM 0 HB ILE A 8 15.885 19.140 -1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 8 17.217 16.541 -1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.059 17.691 -2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 8 14.863 17.717 -0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 8 13.846 17.810 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 8 14.823 16.356 -1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 8 18.661 18.000 0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 8 17.806 19.433 -0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 8 16.951 18.265 0.734 1.00 0.00 H new ATOM 85 N GLY A 9 13.555 17.193 -3.920 1.00 0.00 N ATOM 86 CA GLY A 9 12.229 17.506 -4.419 1.00 0.00 C ATOM 87 C GLY A 9 11.159 17.358 -3.355 1.00 0.00 C ATOM 88 O GLY A 9 11.449 17.424 -2.160 1.00 0.00 O ATOM 0 H GLY A 9 13.677 16.231 -3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.219 18.527 -4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.996 16.850 -5.258 1.00 0.00 H new ATOM 92 N ASP A 10 9.919 17.160 -3.788 1.00 0.00 N ATOM 93 CA ASP A 10 8.802 17.004 -2.864 1.00 0.00 C ATOM 94 C ASP A 10 7.901 15.850 -3.292 1.00 0.00 C ATOM 95 O ASP A 10 7.395 15.827 -4.414 1.00 0.00 O ATOM 96 CB ASP A 10 7.992 18.298 -2.786 1.00 0.00 C ATOM 97 CG ASP A 10 8.873 19.531 -2.744 1.00 0.00 C ATOM 98 OD1 ASP A 10 9.517 19.837 -3.770 1.00 0.00 O ATOM 99 OD2 ASP A 10 8.918 20.191 -1.685 1.00 0.00 O ATOM 0 H ASP A 10 9.662 17.104 -4.773 1.00 0.00 H new ATOM 0 HA ASP A 10 9.207 16.779 -1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.327 18.359 -3.647 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.361 18.275 -1.897 1.00 0.00 H new ATOM 104 N ALA A 11 7.705 14.893 -2.391 1.00 0.00 N ATOM 105 CA ALA A 11 6.864 13.737 -2.675 1.00 0.00 C ATOM 106 C ALA A 11 5.521 14.164 -3.258 1.00 0.00 C ATOM 107 O ALA A 11 5.026 13.559 -4.209 1.00 0.00 O ATOM 108 CB ALA A 11 6.655 12.913 -1.412 1.00 0.00 C ATOM 0 H ALA A 11 8.117 14.896 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 11 7.373 13.122 -3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.025 12.053 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.619 12.568 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.171 13.527 -0.653 1.00 0.00 H new ATOM 114 N ARG A 12 4.937 15.209 -2.682 1.00 0.00 N ATOM 115 CA ARG A 12 3.651 15.716 -3.144 1.00 0.00 C ATOM 116 C ARG A 12 3.652 15.904 -4.658 1.00 0.00 C ATOM 117 O ARG A 12 2.603 15.860 -5.300 1.00 0.00 O ATOM 118 CB ARG A 12 3.324 17.043 -2.456 1.00 0.00 C ATOM 119 CG ARG A 12 4.052 18.235 -3.054 1.00 0.00 C ATOM 120 CD ARG A 12 4.074 19.414 -2.094 1.00 0.00 C ATOM 121 NE ARG A 12 2.827 20.174 -2.132 1.00 0.00 N ATOM 122 CZ ARG A 12 2.647 21.323 -1.489 1.00 0.00 C ATOM 123 NH1 ARG A 12 3.629 21.841 -0.764 1.00 0.00 N ATOM 124 NH2 ARG A 12 1.484 21.956 -1.572 1.00 0.00 N ATOM 0 H ARG A 12 5.334 15.721 -1.894 1.00 0.00 H new ATOM 0 HA ARG A 12 2.887 14.982 -2.886 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.250 17.218 -2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.577 16.966 -1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.074 17.950 -3.305 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.566 18.531 -3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.248 19.053 -1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.907 20.071 -2.346 1.00 0.00 H new ATOM 0 HE ARG A 12 2.052 19.803 -2.682 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.525 21.357 -0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.489 22.723 -0.271 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.727 21.561 -2.130 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.347 22.838 -1.078 1.00 0.00 H new ATOM 138 N ARG A 13 4.837 16.113 -5.222 1.00 0.00 N ATOM 139 CA ARG A 13 4.975 16.309 -6.660 1.00 0.00 C ATOM 140 C ARG A 13 5.117 14.971 -7.380 1.00 0.00 C ATOM 141 O ARG A 13 4.681 14.819 -8.521 1.00 0.00 O ATOM 142 CB ARG A 13 6.187 17.193 -6.962 1.00 0.00 C ATOM 143 CG ARG A 13 6.059 18.607 -6.417 1.00 0.00 C ATOM 144 CD ARG A 13 5.248 19.492 -7.350 1.00 0.00 C ATOM 145 NE ARG A 13 5.992 19.842 -8.557 1.00 0.00 N ATOM 146 CZ ARG A 13 5.445 20.440 -9.610 1.00 0.00 C ATOM 147 NH1 ARG A 13 4.157 20.752 -9.604 1.00 0.00 N ATOM 148 NH2 ARG A 13 6.188 20.726 -10.672 1.00 0.00 N ATOM 0 H ARG A 13 5.715 16.151 -4.705 1.00 0.00 H new ATOM 0 HA ARG A 13 4.073 16.803 -7.022 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.079 16.729 -6.540 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.332 17.240 -8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.584 18.579 -5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.051 19.036 -6.278 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.328 18.978 -7.628 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.959 20.403 -6.826 1.00 0.00 H new ATOM 0 HE ARG A 13 6.986 19.615 -8.594 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.583 20.533 -8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.740 21.211 -10.414 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.180 20.487 -10.680 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.767 21.185 -11.480 1.00 0.00 H new ATOM 162 N ALA A 14 5.730 14.004 -6.705 1.00 0.00 N ATOM 163 CA ALA A 14 5.928 12.679 -7.280 1.00 0.00 C ATOM 164 C ALA A 14 4.593 12.004 -7.575 1.00 0.00 C ATOM 165 O ALA A 14 3.682 12.017 -6.748 1.00 0.00 O ATOM 166 CB ALA A 14 6.761 11.817 -6.343 1.00 0.00 C ATOM 0 H ALA A 14 6.098 14.113 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 14 6.463 12.795 -8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.901 10.830 -6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.733 12.285 -6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.247 11.717 -5.387 1.00 0.00 H new ATOM 172 N LYS A 15 4.483 11.414 -8.761 1.00 0.00 N ATOM 173 CA LYS A 15 3.260 10.733 -9.167 1.00 0.00 C ATOM 174 C LYS A 15 3.504 9.238 -9.347 1.00 0.00 C ATOM 175 O LYS A 15 4.602 8.817 -9.709 1.00 0.00 O ATOM 176 CB LYS A 15 2.725 11.333 -10.469 1.00 0.00 C ATOM 177 CG LYS A 15 1.768 12.493 -10.256 1.00 0.00 C ATOM 178 CD LYS A 15 1.308 13.087 -11.577 1.00 0.00 C ATOM 179 CE LYS A 15 0.988 14.567 -11.442 1.00 0.00 C ATOM 180 NZ LYS A 15 -0.433 14.794 -11.058 1.00 0.00 N ATOM 0 H LYS A 15 5.227 11.394 -9.458 1.00 0.00 H new ATOM 0 HA LYS A 15 2.519 10.871 -8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.565 11.673 -11.075 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.217 10.553 -11.037 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.902 12.152 -9.688 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.256 13.264 -9.660 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.085 12.949 -12.329 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.425 12.554 -11.929 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.642 15.013 -10.693 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.194 15.071 -12.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.612 15.815 -10.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.058 14.391 -11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.623 14.335 -10.144 1.00 0.00 H new ATOM 194 N VAL A 16 2.472 8.439 -9.093 1.00 0.00 N ATOM 195 CA VAL A 16 2.573 6.991 -9.229 1.00 0.00 C ATOM 196 C VAL A 16 1.345 6.418 -9.926 1.00 0.00 C ATOM 197 O VAL A 16 0.214 6.630 -9.488 1.00 0.00 O ATOM 198 CB VAL A 16 2.738 6.309 -7.858 1.00 0.00 C ATOM 199 CG1 VAL A 16 4.207 6.240 -7.468 1.00 0.00 C ATOM 200 CG2 VAL A 16 1.930 7.042 -6.798 1.00 0.00 C ATOM 0 H VAL A 16 1.556 8.771 -8.792 1.00 0.00 H new ATOM 0 HA VAL A 16 3.457 6.790 -9.834 1.00 0.00 H new ATOM 0 HB VAL A 16 2.359 5.290 -7.931 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.303 5.755 -6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.755 5.667 -8.216 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.616 7.249 -7.412 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.058 6.547 -5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.277 8.073 -6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.875 7.033 -7.073 1.00 0.00 H new ATOM 210 N TYR A 17 1.575 5.688 -11.012 1.00 0.00 N ATOM 211 CA TYR A 17 0.486 5.085 -11.772 1.00 0.00 C ATOM 212 C TYR A 17 0.890 3.714 -12.307 1.00 0.00 C ATOM 213 O TYR A 17 2.075 3.415 -12.448 1.00 0.00 O ATOM 214 CB TYR A 17 0.077 5.997 -12.930 1.00 0.00 C ATOM 215 CG TYR A 17 1.234 6.754 -13.541 1.00 0.00 C ATOM 216 CD1 TYR A 17 2.061 6.157 -14.485 1.00 0.00 C ATOM 217 CD2 TYR A 17 1.500 8.068 -13.176 1.00 0.00 C ATOM 218 CE1 TYR A 17 3.119 6.846 -15.045 1.00 0.00 C ATOM 219 CE2 TYR A 17 2.555 8.765 -13.732 1.00 0.00 C ATOM 220 CZ TYR A 17 3.362 8.149 -14.666 1.00 0.00 C ATOM 221 OH TYR A 17 4.414 8.839 -15.223 1.00 0.00 O ATOM 0 H TYR A 17 2.505 5.500 -11.386 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.364 4.958 -11.102 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.402 5.396 -13.703 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.666 6.711 -12.575 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.873 5.137 -14.786 1.00 0.00 H new ATOM 0 HD2 TYR A 17 0.871 8.553 -12.445 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.753 6.366 -15.776 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.747 9.786 -13.437 1.00 0.00 H new ATOM 0 HH TYR A 17 4.310 9.796 -15.041 1.00 0.00 H new ATOM 231 N GLY A 18 -0.106 2.885 -12.604 1.00 0.00 N ATOM 232 CA GLY A 18 0.164 1.556 -13.121 1.00 0.00 C ATOM 233 C GLY A 18 -0.945 0.574 -12.803 1.00 0.00 C ATOM 234 O GLY A 18 -2.126 0.908 -12.898 1.00 0.00 O ATOM 0 H GLY A 18 -1.095 3.110 -12.496 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.298 1.610 -14.201 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.101 1.190 -12.701 1.00 0.00 H new ATOM 238 N ARG A 19 -0.566 -0.643 -12.426 1.00 0.00 N ATOM 239 CA ARG A 19 -1.538 -1.678 -12.095 1.00 0.00 C ATOM 240 C ARG A 19 -1.291 -2.228 -10.693 1.00 0.00 C ATOM 241 O ARG A 19 -2.219 -2.665 -10.015 1.00 0.00 O ATOM 242 CB ARG A 19 -1.473 -2.813 -13.118 1.00 0.00 C ATOM 243 CG ARG A 19 -2.620 -3.804 -13.002 1.00 0.00 C ATOM 244 CD ARG A 19 -3.846 -3.329 -13.766 1.00 0.00 C ATOM 245 NE ARG A 19 -3.813 -3.742 -15.166 1.00 0.00 N ATOM 246 CZ ARG A 19 -4.895 -3.835 -15.931 1.00 0.00 C ATOM 247 NH1 ARG A 19 -6.089 -3.545 -15.434 1.00 0.00 N ATOM 248 NH2 ARG A 19 -4.784 -4.218 -17.197 1.00 0.00 N ATOM 0 H ARG A 19 0.407 -0.936 -12.342 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.531 -1.230 -12.121 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.472 -2.387 -14.121 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.530 -3.346 -12.997 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.304 -4.774 -13.386 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.876 -3.944 -11.952 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.744 -3.725 -13.292 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.909 -2.242 -13.710 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.909 -3.972 -15.579 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.179 -3.250 -14.462 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.918 -3.617 -16.024 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.867 -4.441 -17.584 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.616 -4.289 -17.783 1.00 0.00 H new ATOM 262 N GLY A 20 -0.032 -2.203 -10.266 1.00 0.00 N ATOM 263 CA GLY A 20 0.314 -2.702 -8.948 1.00 0.00 C ATOM 264 C GLY A 20 0.157 -1.648 -7.870 1.00 0.00 C ATOM 265 O GLY A 20 0.853 -1.680 -6.854 1.00 0.00 O ATOM 0 H GLY A 20 0.754 -1.846 -10.809 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.317 -3.558 -8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.344 -3.058 -8.956 1.00 0.00 H new ATOM 269 N LEU A 21 -0.758 -0.710 -8.090 1.00 0.00 N ATOM 270 CA LEU A 21 -1.003 0.360 -7.129 1.00 0.00 C ATOM 271 C LEU A 21 -2.464 0.374 -6.692 1.00 0.00 C ATOM 272 O LEU A 21 -2.808 0.947 -5.658 1.00 0.00 O ATOM 273 CB LEU A 21 -0.627 1.713 -7.735 1.00 0.00 C ATOM 274 CG LEU A 21 0.780 1.815 -8.326 1.00 0.00 C ATOM 275 CD1 LEU A 21 0.977 3.162 -9.004 1.00 0.00 C ATOM 276 CD2 LEU A 21 1.829 1.601 -7.246 1.00 0.00 C ATOM 0 H LEU A 21 -1.342 -0.669 -8.925 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.382 0.177 -6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.347 1.951 -8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.732 2.476 -6.964 1.00 0.00 H new ATOM 0 HG LEU A 21 0.896 1.033 -9.076 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.984 3.217 -9.419 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.247 3.276 -9.806 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.841 3.960 -8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.824 1.677 -7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.715 2.360 -6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.701 0.612 -6.806 1.00 0.00 H new ATOM 288 N SER A 22 -3.320 -0.261 -7.485 1.00 0.00 N ATOM 289 CA SER A 22 -4.745 -0.320 -7.181 1.00 0.00 C ATOM 290 C SER A 22 -5.188 -1.758 -6.928 1.00 0.00 C ATOM 291 O SER A 22 -5.597 -2.107 -5.821 1.00 0.00 O ATOM 292 CB SER A 22 -5.559 0.281 -8.329 1.00 0.00 C ATOM 293 OG SER A 22 -5.433 1.693 -8.358 1.00 0.00 O ATOM 0 H SER A 22 -3.052 -0.742 -8.343 1.00 0.00 H new ATOM 0 HA SER A 22 -4.922 0.261 -6.276 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.221 -0.137 -9.277 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.608 0.008 -8.217 1.00 0.00 H new ATOM 0 HG SER A 22 -5.961 2.053 -9.101 1.00 0.00 H new ATOM 299 N GLU A 23 -5.102 -2.588 -7.963 1.00 0.00 N ATOM 300 CA GLU A 23 -5.495 -3.988 -7.854 1.00 0.00 C ATOM 301 C GLU A 23 -4.325 -4.909 -8.190 1.00 0.00 C ATOM 302 O GLU A 23 -3.225 -4.448 -8.493 1.00 0.00 O ATOM 303 CB GLU A 23 -6.675 -4.284 -8.782 1.00 0.00 C ATOM 304 CG GLU A 23 -6.340 -4.139 -10.257 1.00 0.00 C ATOM 305 CD GLU A 23 -7.234 -4.983 -11.144 1.00 0.00 C ATOM 306 OE1 GLU A 23 -8.400 -4.590 -11.358 1.00 0.00 O ATOM 307 OE2 GLU A 23 -6.768 -6.038 -11.624 1.00 0.00 O ATOM 0 H GLU A 23 -4.764 -2.315 -8.886 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.798 -4.175 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.027 -5.299 -8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.497 -3.611 -8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.433 -3.092 -10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.300 -4.424 -10.419 1.00 0.00 H new ATOM 314 N GLY A 24 -4.572 -6.214 -8.134 1.00 0.00 N ATOM 315 CA GLY A 24 -3.531 -7.180 -8.434 1.00 0.00 C ATOM 316 C GLY A 24 -4.004 -8.611 -8.274 1.00 0.00 C ATOM 317 O GLY A 24 -5.149 -8.854 -7.892 1.00 0.00 O ATOM 0 H GLY A 24 -5.474 -6.620 -7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.182 -7.028 -9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.679 -7.007 -7.777 1.00 0.00 H new ATOM 321 N ARG A 25 -3.122 -9.560 -8.569 1.00 0.00 N ATOM 322 CA ARG A 25 -3.457 -10.975 -8.458 1.00 0.00 C ATOM 323 C ARG A 25 -2.230 -11.795 -8.070 1.00 0.00 C ATOM 324 O ARG A 25 -1.095 -11.400 -8.338 1.00 0.00 O ATOM 325 CB ARG A 25 -4.031 -11.490 -9.780 1.00 0.00 C ATOM 326 CG ARG A 25 -5.542 -11.362 -9.878 1.00 0.00 C ATOM 327 CD ARG A 25 -6.068 -11.960 -11.173 1.00 0.00 C ATOM 328 NE ARG A 25 -5.392 -11.410 -12.345 1.00 0.00 N ATOM 329 CZ ARG A 25 -5.408 -11.987 -13.541 1.00 0.00 C ATOM 330 NH1 ARG A 25 -6.062 -13.125 -13.723 1.00 0.00 N ATOM 331 NH2 ARG A 25 -4.768 -11.424 -14.559 1.00 0.00 N ATOM 0 H ARG A 25 -2.170 -9.375 -8.887 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.208 -11.085 -7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.574 -10.941 -10.603 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.755 -12.537 -9.903 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.007 -11.864 -9.029 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.824 -10.311 -9.820 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.935 -13.042 -11.153 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.139 -11.771 -11.251 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.879 -10.535 -12.239 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.555 -13.560 -12.943 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.072 -13.566 -14.643 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.264 -10.548 -14.423 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.781 -11.868 -15.477 1.00 0.00 H new ATOM 345 N THR A 26 -2.466 -12.941 -7.438 1.00 0.00 N ATOM 346 CA THR A 26 -1.381 -13.816 -7.011 1.00 0.00 C ATOM 347 C THR A 26 -0.631 -14.386 -8.210 1.00 0.00 C ATOM 348 O THR A 26 -1.195 -14.534 -9.294 1.00 0.00 O ATOM 349 CB THR A 26 -1.904 -14.979 -6.147 1.00 0.00 C ATOM 350 OG1 THR A 26 -2.894 -15.720 -6.870 1.00 0.00 O ATOM 351 CG2 THR A 26 -2.501 -14.461 -4.847 1.00 0.00 C ATOM 0 H THR A 26 -3.399 -13.285 -7.211 1.00 0.00 H new ATOM 0 HA THR A 26 -0.700 -13.208 -6.415 1.00 0.00 H new ATOM 0 HB THR A 26 -1.064 -15.632 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.220 -16.459 -6.315 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.864 -15.300 -4.253 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.738 -13.922 -4.285 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.330 -13.789 -5.070 1.00 0.00 H new ATOM 359 N PHE A 27 0.643 -14.704 -8.008 1.00 0.00 N ATOM 360 CA PHE A 27 1.471 -15.258 -9.073 1.00 0.00 C ATOM 361 C PHE A 27 1.334 -14.437 -10.351 1.00 0.00 C ATOM 362 O PHE A 27 1.237 -14.988 -11.447 1.00 0.00 O ATOM 363 CB PHE A 27 1.084 -16.713 -9.344 1.00 0.00 C ATOM 364 CG PHE A 27 1.669 -17.683 -8.357 1.00 0.00 C ATOM 365 CD1 PHE A 27 1.626 -17.419 -6.997 1.00 0.00 C ATOM 366 CD2 PHE A 27 2.261 -18.859 -8.789 1.00 0.00 C ATOM 367 CE1 PHE A 27 2.163 -18.309 -6.086 1.00 0.00 C ATOM 368 CE2 PHE A 27 2.800 -19.753 -7.882 1.00 0.00 C ATOM 369 CZ PHE A 27 2.752 -19.477 -6.530 1.00 0.00 C ATOM 0 H PHE A 27 1.125 -14.588 -7.117 1.00 0.00 H new ATOM 0 HA PHE A 27 2.511 -15.220 -8.748 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.002 -16.801 -9.327 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.410 -16.987 -10.347 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.167 -16.507 -6.645 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.302 -19.080 -9.845 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.122 -18.092 -5.029 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.258 -20.667 -8.231 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.174 -20.173 -5.821 1.00 0.00 H new ATOM 379 N GLU A 28 1.325 -13.116 -10.201 1.00 0.00 N ATOM 380 CA GLU A 28 1.198 -12.219 -11.344 1.00 0.00 C ATOM 381 C GLU A 28 2.088 -10.991 -11.173 1.00 0.00 C ATOM 382 O GLU A 28 1.887 -10.187 -10.263 1.00 0.00 O ATOM 383 CB GLU A 28 -0.259 -11.786 -11.520 1.00 0.00 C ATOM 384 CG GLU A 28 -0.429 -10.580 -12.430 1.00 0.00 C ATOM 385 CD GLU A 28 -1.819 -10.493 -13.029 1.00 0.00 C ATOM 386 OE1 GLU A 28 -2.406 -11.557 -13.321 1.00 0.00 O ATOM 387 OE2 GLU A 28 -2.320 -9.364 -13.207 1.00 0.00 O ATOM 0 H GLU A 28 1.404 -12.644 -9.300 1.00 0.00 H new ATOM 0 HA GLU A 28 1.520 -12.758 -12.235 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.831 -12.620 -11.926 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.682 -11.555 -10.542 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.223 -9.671 -11.865 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.306 -10.629 -13.233 1.00 0.00 H new ATOM 394 N MET A 29 3.073 -10.855 -12.055 1.00 0.00 N ATOM 395 CA MET A 29 3.994 -9.725 -12.003 1.00 0.00 C ATOM 396 C MET A 29 3.242 -8.404 -12.131 1.00 0.00 C ATOM 397 O MET A 29 2.697 -8.090 -13.190 1.00 0.00 O ATOM 398 CB MET A 29 5.039 -9.840 -13.114 1.00 0.00 C ATOM 399 CG MET A 29 6.364 -9.176 -12.773 1.00 0.00 C ATOM 400 SD MET A 29 7.510 -10.296 -11.946 1.00 0.00 S ATOM 401 CE MET A 29 8.388 -9.156 -10.880 1.00 0.00 C ATOM 0 H MET A 29 3.254 -11.512 -12.814 1.00 0.00 H new ATOM 0 HA MET A 29 4.498 -9.743 -11.037 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.215 -10.894 -13.329 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.641 -9.391 -14.024 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.824 -8.802 -13.687 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.179 -8.313 -12.133 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.834 -9.704 -10.050 1.00 0.00 H new ATOM 0 HE2 MET A 29 9.173 -8.657 -11.449 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.693 -8.412 -10.492 1.00 0.00 H new ATOM 411 N SER A 30 3.216 -7.635 -11.047 1.00 0.00 N ATOM 412 CA SER A 30 2.527 -6.350 -11.038 1.00 0.00 C ATOM 413 C SER A 30 3.501 -5.214 -10.741 1.00 0.00 C ATOM 414 O SER A 30 3.997 -5.084 -9.622 1.00 0.00 O ATOM 415 CB SER A 30 1.402 -6.358 -10.001 1.00 0.00 C ATOM 416 OG SER A 30 0.346 -7.215 -10.400 1.00 0.00 O ATOM 0 H SER A 30 3.664 -7.880 -10.164 1.00 0.00 H new ATOM 0 HA SER A 30 2.098 -6.188 -12.027 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.794 -6.683 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.021 -5.346 -9.865 1.00 0.00 H new ATOM 0 HG SER A 30 0.648 -8.146 -10.361 1.00 0.00 H new ATOM 422 N ASP A 31 3.769 -4.394 -11.751 1.00 0.00 N ATOM 423 CA ASP A 31 4.682 -3.267 -11.600 1.00 0.00 C ATOM 424 C ASP A 31 3.954 -1.945 -11.817 1.00 0.00 C ATOM 425 O ASP A 31 2.767 -1.923 -12.143 1.00 0.00 O ATOM 426 CB ASP A 31 5.846 -3.391 -12.584 1.00 0.00 C ATOM 427 CG ASP A 31 5.427 -4.016 -13.900 1.00 0.00 C ATOM 428 OD1 ASP A 31 4.617 -3.396 -14.621 1.00 0.00 O ATOM 429 OD2 ASP A 31 5.910 -5.125 -14.210 1.00 0.00 O ATOM 0 H ASP A 31 3.367 -4.489 -12.684 1.00 0.00 H new ATOM 0 HA ASP A 31 5.074 -3.282 -10.583 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.266 -2.403 -12.772 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.636 -3.993 -12.134 1.00 0.00 H new ATOM 434 N PHE A 32 4.673 -0.842 -11.633 1.00 0.00 N ATOM 435 CA PHE A 32 4.095 0.485 -11.807 1.00 0.00 C ATOM 436 C PHE A 32 5.187 1.530 -12.022 1.00 0.00 C ATOM 437 O PHE A 32 6.352 1.302 -11.695 1.00 0.00 O ATOM 438 CB PHE A 32 3.248 0.860 -10.589 1.00 0.00 C ATOM 439 CG PHE A 32 3.990 0.752 -9.287 1.00 0.00 C ATOM 440 CD1 PHE A 32 4.040 -0.451 -8.601 1.00 0.00 C ATOM 441 CD2 PHE A 32 4.637 1.853 -8.750 1.00 0.00 C ATOM 442 CE1 PHE A 32 4.722 -0.554 -7.403 1.00 0.00 C ATOM 443 CE2 PHE A 32 5.320 1.756 -7.553 1.00 0.00 C ATOM 444 CZ PHE A 32 5.362 0.552 -6.878 1.00 0.00 C ATOM 0 H PHE A 32 5.657 -0.841 -11.363 1.00 0.00 H new ATOM 0 HA PHE A 32 3.458 0.463 -12.691 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.886 1.881 -10.708 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.371 0.214 -10.553 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.540 -1.318 -9.007 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.607 2.798 -9.273 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.754 -1.497 -6.878 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.821 2.622 -7.145 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.894 0.475 -5.941 1.00 0.00 H new ATOM 454 N ILE A 33 4.801 2.675 -12.575 1.00 0.00 N ATOM 455 CA ILE A 33 5.745 3.754 -12.833 1.00 0.00 C ATOM 456 C ILE A 33 5.743 4.771 -11.696 1.00 0.00 C ATOM 457 O ILE A 33 4.723 4.983 -11.041 1.00 0.00 O ATOM 458 CB ILE A 33 5.425 4.478 -14.154 1.00 0.00 C ATOM 459 CG1 ILE A 33 5.941 3.666 -15.344 1.00 0.00 C ATOM 460 CG2 ILE A 33 6.033 5.873 -14.155 1.00 0.00 C ATOM 461 CD1 ILE A 33 7.412 3.328 -15.252 1.00 0.00 C ATOM 0 H ILE A 33 3.841 2.879 -12.853 1.00 0.00 H new ATOM 0 HA ILE A 33 6.732 3.298 -12.907 1.00 0.00 H new ATOM 0 HB ILE A 33 4.343 4.574 -14.245 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.368 2.742 -15.419 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.762 4.227 -16.261 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.798 6.372 -15.095 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.622 6.449 -13.326 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.115 5.798 -14.044 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.708 2.752 -16.129 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.995 4.248 -15.208 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.595 2.740 -14.353 1.00 0.00 H new ATOM 473 N VAL A 34 6.893 5.398 -11.468 1.00 0.00 N ATOM 474 CA VAL A 34 7.024 6.394 -10.413 1.00 0.00 C ATOM 475 C VAL A 34 7.609 7.694 -10.953 1.00 0.00 C ATOM 476 O VAL A 34 8.825 7.830 -11.092 1.00 0.00 O ATOM 477 CB VAL A 34 7.914 5.882 -9.264 1.00 0.00 C ATOM 478 CG1 VAL A 34 8.380 7.039 -8.393 1.00 0.00 C ATOM 479 CG2 VAL A 34 7.170 4.846 -8.436 1.00 0.00 C ATOM 0 H VAL A 34 7.747 5.233 -12.001 1.00 0.00 H new ATOM 0 HA VAL A 34 6.021 6.582 -10.030 1.00 0.00 H new ATOM 0 HB VAL A 34 8.795 5.405 -9.694 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.007 6.658 -7.587 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.953 7.742 -8.998 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.514 7.547 -7.969 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.813 4.495 -7.629 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.271 5.295 -8.014 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.892 4.004 -9.071 1.00 0.00 H new ATOM 489 N ASP A 35 6.736 8.648 -11.257 1.00 0.00 N ATOM 490 CA ASP A 35 7.165 9.939 -11.782 1.00 0.00 C ATOM 491 C ASP A 35 7.830 10.775 -10.692 1.00 0.00 C ATOM 492 O ASP A 35 7.176 11.212 -9.744 1.00 0.00 O ATOM 493 CB ASP A 35 5.974 10.698 -12.368 1.00 0.00 C ATOM 494 CG ASP A 35 6.279 12.164 -12.603 1.00 0.00 C ATOM 495 OD1 ASP A 35 6.862 12.486 -13.660 1.00 0.00 O ATOM 496 OD2 ASP A 35 5.935 12.989 -11.732 1.00 0.00 O ATOM 0 H ASP A 35 5.726 8.552 -11.149 1.00 0.00 H new ATOM 0 HA ASP A 35 7.894 9.757 -12.572 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.681 10.236 -13.310 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.123 10.611 -11.692 1.00 0.00 H new ATOM 501 N THR A 36 9.134 10.992 -10.832 1.00 0.00 N ATOM 502 CA THR A 36 9.887 11.773 -9.859 1.00 0.00 C ATOM 503 C THR A 36 10.527 12.994 -10.510 1.00 0.00 C ATOM 504 O THR A 36 10.908 13.945 -9.828 1.00 0.00 O ATOM 505 CB THR A 36 10.987 10.927 -9.190 1.00 0.00 C ATOM 506 OG1 THR A 36 11.563 10.029 -10.145 1.00 0.00 O ATOM 507 CG2 THR A 36 10.424 10.137 -8.019 1.00 0.00 C ATOM 0 H THR A 36 9.690 10.638 -11.610 1.00 0.00 H new ATOM 0 HA THR A 36 9.177 12.100 -9.099 1.00 0.00 H new ATOM 0 HB THR A 36 11.757 11.602 -8.816 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.262 9.496 -9.712 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.219 9.547 -7.562 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.012 10.825 -7.280 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.637 9.472 -8.374 1.00 0.00 H new ATOM 515 N ARG A 37 10.640 12.962 -11.834 1.00 0.00 N ATOM 516 CA ARG A 37 11.234 14.066 -12.577 1.00 0.00 C ATOM 517 C ARG A 37 10.490 15.369 -12.301 1.00 0.00 C ATOM 518 O ARG A 37 11.085 16.447 -12.300 1.00 0.00 O ATOM 519 CB ARG A 37 11.219 13.766 -14.077 1.00 0.00 C ATOM 520 CG ARG A 37 9.828 13.509 -14.634 1.00 0.00 C ATOM 521 CD ARG A 37 9.875 13.165 -16.114 1.00 0.00 C ATOM 522 NE ARG A 37 8.539 13.021 -16.685 1.00 0.00 N ATOM 523 CZ ARG A 37 8.300 12.458 -17.864 1.00 0.00 C ATOM 524 NH1 ARG A 37 9.303 11.988 -18.593 1.00 0.00 N ATOM 525 NH2 ARG A 37 7.056 12.363 -18.316 1.00 0.00 N ATOM 0 H ARG A 37 10.328 12.183 -12.414 1.00 0.00 H new ATOM 0 HA ARG A 37 12.266 14.180 -12.246 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.665 14.605 -14.611 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.845 12.895 -14.271 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.360 12.692 -14.084 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.206 14.392 -14.484 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.416 13.944 -16.650 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.431 12.238 -16.253 1.00 0.00 H new ATOM 0 HE ARG A 37 7.745 13.372 -16.149 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.261 12.058 -18.249 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.117 11.556 -19.498 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.282 12.723 -17.758 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.874 11.930 -19.222 1.00 0.00 H new ATOM 539 N ASP A 38 9.187 15.263 -12.069 1.00 0.00 N ATOM 540 CA ASP A 38 8.361 16.432 -11.791 1.00 0.00 C ATOM 541 C ASP A 38 8.542 16.895 -10.349 1.00 0.00 C ATOM 542 O ASP A 38 8.167 18.012 -9.993 1.00 0.00 O ATOM 543 CB ASP A 38 6.888 16.119 -12.058 1.00 0.00 C ATOM 544 CG ASP A 38 6.096 17.350 -12.450 1.00 0.00 C ATOM 545 OD1 ASP A 38 6.576 18.114 -13.314 1.00 0.00 O ATOM 546 OD2 ASP A 38 4.996 17.551 -11.893 1.00 0.00 O ATOM 0 H ASP A 38 8.679 14.378 -12.068 1.00 0.00 H new ATOM 0 HA ASP A 38 8.679 17.236 -12.455 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.816 15.376 -12.852 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.446 15.675 -11.166 1.00 0.00 H new ATOM 551 N ALA A 39 9.118 16.028 -9.522 1.00 0.00 N ATOM 552 CA ALA A 39 9.349 16.347 -8.119 1.00 0.00 C ATOM 553 C ALA A 39 10.730 16.960 -7.916 1.00 0.00 C ATOM 554 O ALA A 39 10.860 18.058 -7.377 1.00 0.00 O ATOM 555 CB ALA A 39 9.190 15.101 -7.261 1.00 0.00 C ATOM 0 H ALA A 39 9.433 15.099 -9.800 1.00 0.00 H new ATOM 0 HA ALA A 39 8.606 17.083 -7.812 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.365 15.354 -6.215 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.180 14.708 -7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.911 14.347 -7.577 1.00 0.00 H new ATOM 561 N GLY A 40 11.761 16.240 -8.350 1.00 0.00 N ATOM 562 CA GLY A 40 13.120 16.729 -8.205 1.00 0.00 C ATOM 563 C GLY A 40 14.115 15.611 -7.962 1.00 0.00 C ATOM 564 O GLY A 40 14.247 14.700 -8.779 1.00 0.00 O ATOM 0 H GLY A 40 11.679 15.328 -8.799 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.404 17.275 -9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.162 17.436 -7.376 1.00 0.00 H new ATOM 568 N TYR A 41 14.818 15.682 -6.837 1.00 0.00 N ATOM 569 CA TYR A 41 15.809 14.671 -6.490 1.00 0.00 C ATOM 570 C TYR A 41 15.573 14.137 -5.081 1.00 0.00 C ATOM 571 O TYR A 41 14.787 14.695 -4.317 1.00 0.00 O ATOM 572 CB TYR A 41 17.220 15.252 -6.598 1.00 0.00 C ATOM 573 CG TYR A 41 18.311 14.205 -6.553 1.00 0.00 C ATOM 574 CD1 TYR A 41 18.460 13.285 -7.583 1.00 0.00 C ATOM 575 CD2 TYR A 41 19.191 14.136 -5.480 1.00 0.00 C ATOM 576 CE1 TYR A 41 19.455 12.327 -7.547 1.00 0.00 C ATOM 577 CE2 TYR A 41 20.190 13.183 -5.436 1.00 0.00 C ATOM 578 CZ TYR A 41 20.317 12.280 -6.471 1.00 0.00 C ATOM 579 OH TYR A 41 21.309 11.328 -6.430 1.00 0.00 O ATOM 0 H TYR A 41 14.720 16.429 -6.150 1.00 0.00 H new ATOM 0 HA TYR A 41 15.709 13.844 -7.193 1.00 0.00 H new ATOM 0 HB2 TYR A 41 17.303 15.812 -7.530 1.00 0.00 H new ATOM 0 HB3 TYR A 41 17.375 15.961 -5.785 1.00 0.00 H new ATOM 0 HD1 TYR A 41 17.786 13.319 -8.427 1.00 0.00 H new ATOM 0 HD2 TYR A 41 19.092 14.839 -4.666 1.00 0.00 H new ATOM 0 HE1 TYR A 41 19.557 11.619 -8.356 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.868 13.145 -4.596 1.00 0.00 H new ATOM 0 HH TYR A 41 21.829 11.433 -5.606 1.00 0.00 H new ATOM 589 N GLY A 42 16.261 13.050 -4.744 1.00 0.00 N ATOM 590 CA GLY A 42 16.113 12.457 -3.427 1.00 0.00 C ATOM 591 C GLY A 42 16.114 10.942 -3.470 1.00 0.00 C ATOM 592 O GLY A 42 15.984 10.344 -4.537 1.00 0.00 O ATOM 0 H GLY A 42 16.918 12.570 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.924 12.800 -2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.182 12.804 -2.978 1.00 0.00 H new ATOM 596 N GLY A 43 16.264 10.319 -2.305 1.00 0.00 N ATOM 597 CA GLY A 43 16.281 8.869 -2.236 1.00 0.00 C ATOM 598 C GLY A 43 14.891 8.279 -2.102 1.00 0.00 C ATOM 599 O GLY A 43 14.086 8.748 -1.296 1.00 0.00 O ATOM 0 H GLY A 43 16.374 10.792 -1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.756 8.471 -3.133 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.889 8.556 -1.387 1.00 0.00 H new ATOM 603 N ILE A 44 14.608 7.249 -2.892 1.00 0.00 N ATOM 604 CA ILE A 44 13.306 6.596 -2.858 1.00 0.00 C ATOM 605 C ILE A 44 13.364 5.296 -2.062 1.00 0.00 C ATOM 606 O ILE A 44 14.230 4.452 -2.295 1.00 0.00 O ATOM 607 CB ILE A 44 12.790 6.293 -4.277 1.00 0.00 C ATOM 608 CG1 ILE A 44 12.690 7.583 -5.093 1.00 0.00 C ATOM 609 CG2 ILE A 44 11.440 5.595 -4.212 1.00 0.00 C ATOM 610 CD1 ILE A 44 12.547 7.348 -6.581 1.00 0.00 C ATOM 0 H ILE A 44 15.263 6.849 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 44 12.619 7.288 -2.371 1.00 0.00 H new ATOM 0 HB ILE A 44 13.498 5.627 -4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.835 8.161 -4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.579 8.187 -4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.089 5.388 -5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.541 4.658 -3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.722 6.238 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.482 8.306 -7.096 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.413 6.797 -6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.643 6.771 -6.773 1.00 0.00 H new ATOM 622 N SER A 45 12.436 5.141 -1.123 1.00 0.00 N ATOM 623 CA SER A 45 12.383 3.945 -0.291 1.00 0.00 C ATOM 624 C SER A 45 11.132 3.127 -0.596 1.00 0.00 C ATOM 625 O SER A 45 10.013 3.641 -0.552 1.00 0.00 O ATOM 626 CB SER A 45 12.408 4.327 1.190 1.00 0.00 C ATOM 627 OG SER A 45 12.308 3.179 2.015 1.00 0.00 O ATOM 0 H SER A 45 11.711 5.829 -0.920 1.00 0.00 H new ATOM 0 HA SER A 45 13.258 3.336 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.331 4.861 1.415 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.585 5.007 1.407 1.00 0.00 H new ATOM 0 HG SER A 45 12.328 3.450 2.957 1.00 0.00 H new ATOM 633 N LEU A 46 11.329 1.850 -0.906 1.00 0.00 N ATOM 634 CA LEU A 46 10.218 0.958 -1.219 1.00 0.00 C ATOM 635 C LEU A 46 10.170 -0.214 -0.244 1.00 0.00 C ATOM 636 O LEU A 46 11.198 -0.805 0.082 1.00 0.00 O ATOM 637 CB LEU A 46 10.342 0.440 -2.653 1.00 0.00 C ATOM 638 CG LEU A 46 10.552 1.501 -3.734 1.00 0.00 C ATOM 639 CD1 LEU A 46 11.327 0.921 -4.907 1.00 0.00 C ATOM 640 CD2 LEU A 46 9.215 2.059 -4.200 1.00 0.00 C ATOM 0 H LEU A 46 12.248 1.409 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 46 9.291 1.524 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.175 -0.261 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.440 -0.122 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 46 11.135 2.317 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.467 1.690 -5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.300 0.570 -4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.770 0.087 -5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.383 2.813 -4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.607 1.252 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.696 2.512 -3.356 1.00 0.00 H new ATOM 652 N ALA A 47 8.967 -0.547 0.214 1.00 0.00 N ATOM 653 CA ALA A 47 8.785 -1.652 1.148 1.00 0.00 C ATOM 654 C ALA A 47 7.362 -2.196 1.082 1.00 0.00 C ATOM 655 O ALA A 47 6.404 -1.498 1.416 1.00 0.00 O ATOM 656 CB ALA A 47 9.117 -1.206 2.564 1.00 0.00 C ATOM 0 H ALA A 47 8.105 -0.068 -0.046 1.00 0.00 H new ATOM 0 HA ALA A 47 9.466 -2.454 0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.977 -2.041 3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.153 -0.871 2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.459 -0.386 2.851 1.00 0.00 H new ATOM 662 N VAL A 48 7.230 -3.446 0.649 1.00 0.00 N ATOM 663 CA VAL A 48 5.924 -4.084 0.541 1.00 0.00 C ATOM 664 C VAL A 48 5.681 -5.040 1.703 1.00 0.00 C ATOM 665 O VAL A 48 6.440 -5.986 1.909 1.00 0.00 O ATOM 666 CB VAL A 48 5.785 -4.857 -0.784 1.00 0.00 C ATOM 667 CG1 VAL A 48 4.517 -5.697 -0.782 1.00 0.00 C ATOM 668 CG2 VAL A 48 5.798 -3.898 -1.965 1.00 0.00 C ATOM 0 H VAL A 48 8.012 -4.037 0.367 1.00 0.00 H new ATOM 0 HA VAL A 48 5.180 -3.288 0.568 1.00 0.00 H new ATOM 0 HB VAL A 48 6.637 -5.529 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.436 -6.236 -1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.555 -6.411 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.650 -5.047 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.699 -4.462 -2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.967 -3.199 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.738 -3.346 -1.975 1.00 0.00 H new ATOM 678 N GLU A 49 4.617 -4.787 2.458 1.00 0.00 N ATOM 679 CA GLU A 49 4.274 -5.626 3.600 1.00 0.00 C ATOM 680 C GLU A 49 2.911 -6.283 3.403 1.00 0.00 C ATOM 681 O GLU A 49 1.876 -5.621 3.470 1.00 0.00 O ATOM 682 CB GLU A 49 4.273 -4.799 4.887 1.00 0.00 C ATOM 683 CG GLU A 49 5.665 -4.473 5.402 1.00 0.00 C ATOM 684 CD GLU A 49 6.265 -5.601 6.219 1.00 0.00 C ATOM 685 OE1 GLU A 49 6.078 -6.775 5.834 1.00 0.00 O ATOM 686 OE2 GLU A 49 6.919 -5.312 7.242 1.00 0.00 O ATOM 0 H GLU A 49 3.978 -4.008 2.300 1.00 0.00 H new ATOM 0 HA GLU A 49 5.027 -6.410 3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.733 -3.869 4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.728 -5.343 5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.318 -4.254 4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.620 -3.571 6.013 1.00 0.00 H new ATOM 693 N GLY A 50 2.919 -7.590 3.159 1.00 0.00 N ATOM 694 CA GLY A 50 1.679 -8.315 2.956 1.00 0.00 C ATOM 695 C GLY A 50 1.655 -9.641 3.689 1.00 0.00 C ATOM 696 O GLY A 50 2.380 -9.850 4.662 1.00 0.00 O ATOM 0 H GLY A 50 3.763 -8.160 3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.844 -7.702 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.535 -8.490 1.890 1.00 0.00 H new ATOM 700 N PRO A 51 0.803 -10.565 3.221 1.00 0.00 N ATOM 701 CA PRO A 51 0.667 -11.894 3.825 1.00 0.00 C ATOM 702 C PRO A 51 1.896 -12.766 3.592 1.00 0.00 C ATOM 703 O PRO A 51 2.023 -13.844 4.173 1.00 0.00 O ATOM 704 CB PRO A 51 -0.552 -12.485 3.111 1.00 0.00 C ATOM 705 CG PRO A 51 -0.605 -11.773 1.803 1.00 0.00 C ATOM 706 CD PRO A 51 -0.091 -10.385 2.065 1.00 0.00 C ATOM 0 HA PRO A 51 0.559 -11.840 4.908 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.447 -13.561 2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.464 -12.325 3.686 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.006 -12.281 1.057 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.623 -11.745 1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.443 -9.985 1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.902 -9.692 2.288 1.00 0.00 H new ATOM 714 N SER A 52 2.798 -12.293 2.739 1.00 0.00 N ATOM 715 CA SER A 52 4.016 -13.032 2.426 1.00 0.00 C ATOM 716 C SER A 52 5.082 -12.104 1.852 1.00 0.00 C ATOM 717 O SER A 52 4.820 -10.933 1.574 1.00 0.00 O ATOM 718 CB SER A 52 3.715 -14.157 1.435 1.00 0.00 C ATOM 719 OG SER A 52 3.375 -15.355 2.111 1.00 0.00 O ATOM 0 H SER A 52 2.709 -11.401 2.252 1.00 0.00 H new ATOM 0 HA SER A 52 4.396 -13.465 3.351 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.895 -13.860 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.584 -14.328 0.800 1.00 0.00 H new ATOM 0 HG SER A 52 2.868 -15.140 2.922 1.00 0.00 H new ATOM 725 N LYS A 53 6.287 -12.635 1.675 1.00 0.00 N ATOM 726 CA LYS A 53 7.395 -11.857 1.132 1.00 0.00 C ATOM 727 C LYS A 53 7.311 -11.780 -0.389 1.00 0.00 C ATOM 728 O LYS A 53 6.967 -12.758 -1.052 1.00 0.00 O ATOM 729 CB LYS A 53 8.731 -12.475 1.550 1.00 0.00 C ATOM 730 CG LYS A 53 9.925 -11.573 1.291 1.00 0.00 C ATOM 731 CD LYS A 53 10.150 -10.602 2.438 1.00 0.00 C ATOM 732 CE LYS A 53 11.453 -9.836 2.274 1.00 0.00 C ATOM 733 NZ LYS A 53 12.614 -10.592 2.822 1.00 0.00 N ATOM 0 H LYS A 53 6.522 -13.602 1.900 1.00 0.00 H new ATOM 0 HA LYS A 53 7.328 -10.846 1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.693 -12.718 2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.872 -13.413 1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.818 -12.182 1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.768 -11.016 0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.318 -9.900 2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.165 -11.149 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.621 -9.628 1.217 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.375 -8.874 2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.483 -10.036 2.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.466 -10.769 3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.705 -11.499 2.322 1.00 0.00 H new ATOM 747 N VAL A 54 7.630 -10.611 -0.936 1.00 0.00 N ATOM 748 CA VAL A 54 7.593 -10.407 -2.379 1.00 0.00 C ATOM 749 C VAL A 54 8.827 -9.650 -2.858 1.00 0.00 C ATOM 750 O VAL A 54 9.207 -8.632 -2.280 1.00 0.00 O ATOM 751 CB VAL A 54 6.332 -9.632 -2.804 1.00 0.00 C ATOM 752 CG1 VAL A 54 5.138 -10.570 -2.907 1.00 0.00 C ATOM 753 CG2 VAL A 54 6.048 -8.500 -1.829 1.00 0.00 C ATOM 0 H VAL A 54 7.917 -9.791 -0.401 1.00 0.00 H new ATOM 0 HA VAL A 54 7.575 -11.395 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 54 6.509 -9.197 -3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.256 -10.005 -3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.345 -11.342 -3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.957 -11.036 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.154 -7.963 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.892 -8.910 -0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.895 -7.814 -1.811 1.00 0.00 H new ATOM 763 N ASP A 55 9.448 -10.154 -3.919 1.00 0.00 N ATOM 764 CA ASP A 55 10.639 -9.525 -4.478 1.00 0.00 C ATOM 765 C ASP A 55 10.305 -8.159 -5.070 1.00 0.00 C ATOM 766 O ASP A 55 9.187 -7.929 -5.532 1.00 0.00 O ATOM 767 CB ASP A 55 11.259 -10.422 -5.550 1.00 0.00 C ATOM 768 CG ASP A 55 11.742 -11.746 -4.991 1.00 0.00 C ATOM 769 OD1 ASP A 55 10.908 -12.661 -4.832 1.00 0.00 O ATOM 770 OD2 ASP A 55 12.953 -11.865 -4.710 1.00 0.00 O ATOM 0 H ASP A 55 9.146 -10.996 -4.409 1.00 0.00 H new ATOM 0 HA ASP A 55 11.359 -9.385 -3.672 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.524 -10.608 -6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.096 -9.901 -6.016 1.00 0.00 H new ATOM 775 N ILE A 56 11.280 -7.258 -5.051 1.00 0.00 N ATOM 776 CA ILE A 56 11.089 -5.915 -5.585 1.00 0.00 C ATOM 777 C ILE A 56 12.242 -5.519 -6.501 1.00 0.00 C ATOM 778 O ILE A 56 13.377 -5.357 -6.052 1.00 0.00 O ATOM 779 CB ILE A 56 10.963 -4.873 -4.458 1.00 0.00 C ATOM 780 CG1 ILE A 56 9.807 -5.238 -3.524 1.00 0.00 C ATOM 781 CG2 ILE A 56 10.760 -3.483 -5.043 1.00 0.00 C ATOM 782 CD1 ILE A 56 9.395 -4.110 -2.604 1.00 0.00 C ATOM 0 H ILE A 56 12.211 -7.433 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 56 10.162 -5.932 -6.158 1.00 0.00 H new ATOM 0 HB ILE A 56 11.887 -4.871 -3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.948 -5.540 -4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.095 -6.100 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.673 -2.757 -4.235 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.612 -3.225 -5.672 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.850 -3.470 -5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.571 -4.439 -1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.241 -3.823 -1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.076 -3.254 -3.198 1.00 0.00 H new ATOM 794 N GLN A 57 11.943 -5.364 -7.787 1.00 0.00 N ATOM 795 CA GLN A 57 12.955 -4.985 -8.766 1.00 0.00 C ATOM 796 C GLN A 57 12.713 -3.569 -9.279 1.00 0.00 C ATOM 797 O GLN A 57 11.632 -3.253 -9.776 1.00 0.00 O ATOM 798 CB GLN A 57 12.956 -5.971 -9.936 1.00 0.00 C ATOM 799 CG GLN A 57 13.671 -7.277 -9.631 1.00 0.00 C ATOM 800 CD GLN A 57 13.801 -8.169 -10.850 1.00 0.00 C ATOM 801 OE1 GLN A 57 13.850 -7.690 -11.982 1.00 0.00 O ATOM 802 NE2 GLN A 57 13.857 -9.477 -10.623 1.00 0.00 N ATOM 0 H GLN A 57 11.009 -5.495 -8.175 1.00 0.00 H new ATOM 0 HA GLN A 57 13.928 -5.012 -8.275 1.00 0.00 H new ATOM 0 HB2 GLN A 57 11.926 -6.188 -10.218 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.430 -5.500 -10.797 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.664 -7.060 -9.237 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.128 -7.811 -8.851 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.813 -9.831 -9.667 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.944 -10.127 -11.404 1.00 0.00 H new ATOM 811 N THR A 58 13.728 -2.719 -9.154 1.00 0.00 N ATOM 812 CA THR A 58 13.626 -1.336 -9.603 1.00 0.00 C ATOM 813 C THR A 58 14.674 -1.024 -10.665 1.00 0.00 C ATOM 814 O THR A 58 15.709 -1.686 -10.741 1.00 0.00 O ATOM 815 CB THR A 58 13.791 -0.351 -8.430 1.00 0.00 C ATOM 816 OG1 THR A 58 15.009 -0.624 -7.729 1.00 0.00 O ATOM 817 CG2 THR A 58 12.614 -0.451 -7.470 1.00 0.00 C ATOM 0 H THR A 58 14.630 -2.964 -8.746 1.00 0.00 H new ATOM 0 HA THR A 58 12.631 -1.215 -10.032 1.00 0.00 H new ATOM 0 HB THR A 58 13.824 0.660 -8.835 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.107 0.007 -6.986 1.00 0.00 H new ATOM 0 HG21 THR A 58 12.752 0.254 -6.650 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.691 -0.214 -8.000 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.554 -1.464 -7.072 1.00 0.00 H new ATOM 825 N GLU A 59 14.399 -0.012 -11.481 1.00 0.00 N ATOM 826 CA GLU A 59 15.320 0.387 -12.539 1.00 0.00 C ATOM 827 C GLU A 59 15.020 1.805 -13.017 1.00 0.00 C ATOM 828 O GLU A 59 13.859 2.206 -13.113 1.00 0.00 O ATOM 829 CB GLU A 59 15.234 -0.588 -13.716 1.00 0.00 C ATOM 830 CG GLU A 59 16.063 -0.167 -14.917 1.00 0.00 C ATOM 831 CD GLU A 59 17.498 -0.648 -14.833 1.00 0.00 C ATOM 832 OE1 GLU A 59 18.309 0.017 -14.154 1.00 0.00 O ATOM 833 OE2 GLU A 59 17.811 -1.690 -15.446 1.00 0.00 O ATOM 0 H GLU A 59 13.547 0.546 -11.430 1.00 0.00 H new ATOM 0 HA GLU A 59 16.331 0.366 -12.131 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.563 -1.573 -13.385 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.192 -0.686 -14.021 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.605 -0.559 -15.825 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.052 0.920 -14.998 1.00 0.00 H new ATOM 840 N ASP A 60 16.072 2.558 -13.313 1.00 0.00 N ATOM 841 CA ASP A 60 15.922 3.931 -13.781 1.00 0.00 C ATOM 842 C ASP A 60 15.631 3.967 -15.278 1.00 0.00 C ATOM 843 O ASP A 60 16.454 3.546 -16.092 1.00 0.00 O ATOM 844 CB ASP A 60 17.186 4.738 -13.476 1.00 0.00 C ATOM 845 CG ASP A 60 17.387 5.888 -14.443 1.00 0.00 C ATOM 846 OD1 ASP A 60 16.494 6.757 -14.525 1.00 0.00 O ATOM 847 OD2 ASP A 60 18.437 5.918 -15.118 1.00 0.00 O ATOM 0 H ASP A 60 17.039 2.241 -13.237 1.00 0.00 H new ATOM 0 HA ASP A 60 15.079 4.377 -13.254 1.00 0.00 H new ATOM 0 HB2 ASP A 60 17.128 5.128 -12.460 1.00 0.00 H new ATOM 0 HB3 ASP A 60 18.053 4.078 -13.515 1.00 0.00 H new ATOM 852 N LEU A 61 14.454 4.470 -15.635 1.00 0.00 N ATOM 853 CA LEU A 61 14.053 4.559 -17.034 1.00 0.00 C ATOM 854 C LEU A 61 14.693 5.769 -17.708 1.00 0.00 C ATOM 855 O LEU A 61 15.326 6.594 -17.051 1.00 0.00 O ATOM 856 CB LEU A 61 12.530 4.647 -17.144 1.00 0.00 C ATOM 857 CG LEU A 61 11.751 3.422 -16.663 1.00 0.00 C ATOM 858 CD1 LEU A 61 10.271 3.572 -16.980 1.00 0.00 C ATOM 859 CD2 LEU A 61 12.307 2.154 -17.296 1.00 0.00 C ATOM 0 H LEU A 61 13.761 4.822 -14.975 1.00 0.00 H new ATOM 0 HA LEU A 61 14.397 3.658 -17.543 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.194 5.513 -16.574 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.271 4.831 -18.187 1.00 0.00 H new ATOM 0 HG LEU A 61 11.864 3.345 -15.582 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.733 2.691 -16.630 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.880 4.458 -16.480 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.138 3.675 -18.057 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.741 1.292 -16.942 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.224 2.222 -18.381 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.355 2.038 -17.019 1.00 0.00 H new ATOM 871 N GLU A 62 14.521 5.868 -19.023 1.00 0.00 N ATOM 872 CA GLU A 62 15.081 6.978 -19.784 1.00 0.00 C ATOM 873 C GLU A 62 14.366 8.283 -19.449 1.00 0.00 C ATOM 874 O GLU A 62 14.961 9.360 -19.498 1.00 0.00 O ATOM 875 CB GLU A 62 14.980 6.698 -21.285 1.00 0.00 C ATOM 876 CG GLU A 62 16.095 5.814 -21.817 1.00 0.00 C ATOM 877 CD GLU A 62 16.164 5.808 -23.331 1.00 0.00 C ATOM 878 OE1 GLU A 62 16.849 6.684 -23.898 1.00 0.00 O ATOM 879 OE2 GLU A 62 15.532 4.926 -23.950 1.00 0.00 O ATOM 0 H GLU A 62 13.999 5.193 -19.582 1.00 0.00 H new ATOM 0 HA GLU A 62 16.131 7.080 -19.511 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.021 6.223 -21.493 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.991 7.645 -21.824 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.048 6.157 -21.415 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.947 4.795 -21.460 1.00 0.00 H new ATOM 886 N ASP A 63 13.085 8.179 -19.111 1.00 0.00 N ATOM 887 CA ASP A 63 12.288 9.350 -18.767 1.00 0.00 C ATOM 888 C ASP A 63 12.716 9.924 -17.420 1.00 0.00 C ATOM 889 O ASP A 63 12.409 11.070 -17.096 1.00 0.00 O ATOM 890 CB ASP A 63 10.802 8.990 -18.733 1.00 0.00 C ATOM 891 CG ASP A 63 10.304 8.458 -20.062 1.00 0.00 C ATOM 892 OD1 ASP A 63 10.899 7.485 -20.571 1.00 0.00 O ATOM 893 OD2 ASP A 63 9.321 9.015 -20.594 1.00 0.00 O ATOM 0 H ASP A 63 12.577 7.296 -19.068 1.00 0.00 H new ATOM 0 HA ASP A 63 12.453 10.108 -19.533 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.630 8.243 -17.958 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.224 9.872 -18.459 1.00 0.00 H new ATOM 898 N GLY A 64 13.427 9.116 -16.638 1.00 0.00 N ATOM 899 CA GLY A 64 13.885 9.560 -15.334 1.00 0.00 C ATOM 900 C GLY A 64 13.034 9.015 -14.204 1.00 0.00 C ATOM 901 O GLY A 64 13.272 9.319 -13.035 1.00 0.00 O ATOM 0 H GLY A 64 13.694 8.163 -16.884 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.919 9.247 -15.190 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.874 10.649 -15.300 1.00 0.00 H new ATOM 905 N THR A 65 12.038 8.206 -14.553 1.00 0.00 N ATOM 906 CA THR A 65 11.147 7.619 -13.560 1.00 0.00 C ATOM 907 C THR A 65 11.605 6.219 -13.170 1.00 0.00 C ATOM 908 O THR A 65 12.441 5.618 -13.846 1.00 0.00 O ATOM 909 CB THR A 65 9.698 7.547 -14.077 1.00 0.00 C ATOM 910 OG1 THR A 65 9.592 6.552 -15.101 1.00 0.00 O ATOM 911 CG2 THR A 65 9.252 8.895 -14.624 1.00 0.00 C ATOM 0 H THR A 65 11.828 7.943 -15.516 1.00 0.00 H new ATOM 0 HA THR A 65 11.180 8.267 -12.684 1.00 0.00 H new ATOM 0 HB THR A 65 9.050 7.279 -13.242 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.667 6.511 -15.423 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.226 8.820 -14.983 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.306 9.644 -13.834 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.904 9.188 -15.447 1.00 0.00 H new ATOM 919 N CYS A 66 11.054 5.704 -12.077 1.00 0.00 N ATOM 920 CA CYS A 66 11.406 4.372 -11.597 1.00 0.00 C ATOM 921 C CYS A 66 10.216 3.424 -11.699 1.00 0.00 C ATOM 922 O CYS A 66 9.099 3.769 -11.312 1.00 0.00 O ATOM 923 CB CYS A 66 11.896 4.442 -10.150 1.00 0.00 C ATOM 924 SG CYS A 66 13.660 4.800 -9.983 1.00 0.00 S ATOM 0 H CYS A 66 10.361 6.188 -11.506 1.00 0.00 H new ATOM 0 HA CYS A 66 12.208 3.986 -12.226 1.00 0.00 H new ATOM 0 HB2 CYS A 66 11.329 5.209 -9.623 1.00 0.00 H new ATOM 0 HB3 CYS A 66 11.681 3.493 -9.659 1.00 0.00 H new ATOM 0 HG CYS A 66 13.977 4.841 -8.723 1.00 0.00 H new ATOM 930 N LYS A 67 10.461 2.228 -12.223 1.00 0.00 N ATOM 931 CA LYS A 67 9.410 1.230 -12.377 1.00 0.00 C ATOM 932 C LYS A 67 9.626 0.061 -11.420 1.00 0.00 C ATOM 933 O LYS A 67 10.544 -0.739 -11.599 1.00 0.00 O ATOM 934 CB LYS A 67 9.370 0.720 -13.820 1.00 0.00 C ATOM 935 CG LYS A 67 8.170 -0.161 -14.120 1.00 0.00 C ATOM 936 CD LYS A 67 7.975 -0.347 -15.616 1.00 0.00 C ATOM 937 CE LYS A 67 9.058 -1.232 -16.214 1.00 0.00 C ATOM 938 NZ LYS A 67 10.258 -0.446 -16.614 1.00 0.00 N ATOM 0 H LYS A 67 11.379 1.926 -12.548 1.00 0.00 H new ATOM 0 HA LYS A 67 8.457 1.702 -12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.362 1.573 -14.498 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.282 0.159 -14.024 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.304 -1.133 -13.646 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.274 0.284 -13.688 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.997 -0.790 -15.804 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.985 0.625 -16.109 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.347 -1.993 -15.489 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.660 -1.756 -17.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.393 -0.518 -17.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.123 0.551 -16.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.097 -0.822 -16.128 1.00 0.00 H new ATOM 952 N VAL A 68 8.772 -0.031 -10.405 1.00 0.00 N ATOM 953 CA VAL A 68 8.868 -1.103 -9.422 1.00 0.00 C ATOM 954 C VAL A 68 8.135 -2.352 -9.898 1.00 0.00 C ATOM 955 O VAL A 68 7.067 -2.265 -10.504 1.00 0.00 O ATOM 956 CB VAL A 68 8.291 -0.669 -8.061 1.00 0.00 C ATOM 957 CG1 VAL A 68 8.668 -1.668 -6.978 1.00 0.00 C ATOM 958 CG2 VAL A 68 8.771 0.728 -7.700 1.00 0.00 C ATOM 0 H VAL A 68 8.007 0.624 -10.242 1.00 0.00 H new ATOM 0 HA VAL A 68 9.927 -1.330 -9.303 1.00 0.00 H new ATOM 0 HB VAL A 68 7.204 -0.646 -8.138 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.252 -1.345 -6.024 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.269 -2.650 -7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.754 -1.727 -6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.354 1.018 -6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.859 0.735 -7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.444 1.434 -8.464 1.00 0.00 H new ATOM 968 N SER A 69 8.715 -3.515 -9.618 1.00 0.00 N ATOM 969 CA SER A 69 8.119 -4.783 -10.020 1.00 0.00 C ATOM 970 C SER A 69 8.185 -5.800 -8.884 1.00 0.00 C ATOM 971 O SER A 69 9.198 -5.909 -8.192 1.00 0.00 O ATOM 972 CB SER A 69 8.830 -5.336 -11.256 1.00 0.00 C ATOM 973 OG SER A 69 8.906 -4.360 -12.280 1.00 0.00 O ATOM 0 H SER A 69 9.597 -3.605 -9.114 1.00 0.00 H new ATOM 0 HA SER A 69 7.072 -4.602 -10.262 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.834 -5.663 -10.986 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.297 -6.213 -11.624 1.00 0.00 H new ATOM 0 HG SER A 69 9.366 -4.738 -13.058 1.00 0.00 H new ATOM 979 N TYR A 70 7.099 -6.540 -8.697 1.00 0.00 N ATOM 980 CA TYR A 70 7.031 -7.546 -7.644 1.00 0.00 C ATOM 981 C TYR A 70 6.195 -8.743 -8.086 1.00 0.00 C ATOM 982 O TYR A 70 5.427 -8.659 -9.045 1.00 0.00 O ATOM 983 CB TYR A 70 6.441 -6.941 -6.369 1.00 0.00 C ATOM 984 CG TYR A 70 4.952 -6.689 -6.451 1.00 0.00 C ATOM 985 CD1 TYR A 70 4.040 -7.682 -6.118 1.00 0.00 C ATOM 986 CD2 TYR A 70 4.459 -5.457 -6.861 1.00 0.00 C ATOM 987 CE1 TYR A 70 2.679 -7.456 -6.193 1.00 0.00 C ATOM 988 CE2 TYR A 70 3.099 -5.221 -6.937 1.00 0.00 C ATOM 989 CZ TYR A 70 2.214 -6.224 -6.603 1.00 0.00 C ATOM 990 OH TYR A 70 0.859 -5.995 -6.677 1.00 0.00 O ATOM 0 H TYR A 70 6.253 -6.462 -9.261 1.00 0.00 H new ATOM 0 HA TYR A 70 8.045 -7.890 -7.440 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.642 -7.610 -5.532 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.949 -6.001 -6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.401 -8.647 -5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.150 -4.670 -7.125 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.983 -8.240 -5.932 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.732 -4.257 -7.256 1.00 0.00 H new ATOM 0 HH TYR A 70 0.698 -5.077 -6.981 1.00 0.00 H new ATOM 1000 N PHE A 71 6.350 -9.858 -7.380 1.00 0.00 N ATOM 1001 CA PHE A 71 5.611 -11.074 -7.699 1.00 0.00 C ATOM 1002 C PHE A 71 4.989 -11.677 -6.443 1.00 0.00 C ATOM 1003 O PHE A 71 5.653 -12.347 -5.651 1.00 0.00 O ATOM 1004 CB PHE A 71 6.532 -12.097 -8.367 1.00 0.00 C ATOM 1005 CG PHE A 71 5.797 -13.140 -9.158 1.00 0.00 C ATOM 1006 CD1 PHE A 71 5.197 -12.817 -10.365 1.00 0.00 C ATOM 1007 CD2 PHE A 71 5.705 -14.443 -8.696 1.00 0.00 C ATOM 1008 CE1 PHE A 71 4.518 -13.775 -11.095 1.00 0.00 C ATOM 1009 CE2 PHE A 71 5.029 -15.405 -9.422 1.00 0.00 C ATOM 1010 CZ PHE A 71 4.435 -15.071 -10.623 1.00 0.00 C ATOM 0 H PHE A 71 6.981 -9.945 -6.583 1.00 0.00 H new ATOM 0 HA PHE A 71 4.810 -10.811 -8.390 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.225 -11.574 -9.026 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.131 -12.589 -7.601 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.261 -11.806 -10.739 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.167 -14.710 -7.757 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.053 -13.511 -12.033 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.965 -16.417 -9.050 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.907 -15.821 -11.192 1.00 0.00 H new ATOM 1020 N PRO A 72 3.683 -11.435 -6.255 1.00 0.00 N ATOM 1021 CA PRO A 72 2.942 -11.945 -5.097 1.00 0.00 C ATOM 1022 C PRO A 72 2.754 -13.457 -5.150 1.00 0.00 C ATOM 1023 O PRO A 72 2.558 -14.033 -6.221 1.00 0.00 O ATOM 1024 CB PRO A 72 1.590 -11.234 -5.201 1.00 0.00 C ATOM 1025 CG PRO A 72 1.441 -10.913 -6.648 1.00 0.00 C ATOM 1026 CD PRO A 72 2.830 -10.645 -7.158 1.00 0.00 C ATOM 0 HA PRO A 72 3.468 -11.757 -4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.779 -11.873 -4.852 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.570 -10.331 -4.591 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.981 -11.742 -7.186 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.798 -10.044 -6.791 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.945 -10.959 -8.196 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.076 -9.584 -7.117 1.00 0.00 H new ATOM 1034 N THR A 73 2.815 -14.097 -3.986 1.00 0.00 N ATOM 1035 CA THR A 73 2.652 -15.543 -3.899 1.00 0.00 C ATOM 1036 C THR A 73 1.439 -15.910 -3.051 1.00 0.00 C ATOM 1037 O THR A 73 0.913 -17.018 -3.149 1.00 0.00 O ATOM 1038 CB THR A 73 3.903 -16.214 -3.303 1.00 0.00 C ATOM 1039 OG1 THR A 73 4.133 -15.731 -1.975 1.00 0.00 O ATOM 1040 CG2 THR A 73 5.126 -15.943 -4.166 1.00 0.00 C ATOM 0 H THR A 73 2.976 -13.636 -3.090 1.00 0.00 H new ATOM 0 HA THR A 73 2.504 -15.906 -4.916 1.00 0.00 H new ATOM 0 HB THR A 73 3.731 -17.290 -3.273 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.929 -16.164 -1.603 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.997 -16.427 -3.725 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.959 -16.339 -5.168 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.299 -14.868 -4.225 1.00 0.00 H new ATOM 1048 N VAL A 74 1.000 -14.972 -2.218 1.00 0.00 N ATOM 1049 CA VAL A 74 -0.153 -15.196 -1.354 1.00 0.00 C ATOM 1050 C VAL A 74 -1.125 -14.023 -1.418 1.00 0.00 C ATOM 1051 O VAL A 74 -0.732 -12.857 -1.376 1.00 0.00 O ATOM 1052 CB VAL A 74 0.277 -15.413 0.109 1.00 0.00 C ATOM 1053 CG1 VAL A 74 -0.938 -15.659 0.992 1.00 0.00 C ATOM 1054 CG2 VAL A 74 1.261 -16.569 0.209 1.00 0.00 C ATOM 0 H VAL A 74 1.425 -14.050 -2.123 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.650 -16.096 -1.717 1.00 0.00 H new ATOM 0 HB VAL A 74 0.775 -14.510 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.615 -15.810 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.604 -14.797 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.467 -16.546 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.554 -16.708 1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.791 -17.480 -0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.144 -16.348 -0.390 1.00 0.00 H new ATOM 1064 N PRO A 75 -2.425 -14.337 -1.522 1.00 0.00 N ATOM 1065 CA PRO A 75 -3.480 -13.322 -1.593 1.00 0.00 C ATOM 1066 C PRO A 75 -3.664 -12.583 -0.272 1.00 0.00 C ATOM 1067 O PRO A 75 -3.569 -13.176 0.801 1.00 0.00 O ATOM 1068 CB PRO A 75 -4.733 -14.136 -1.928 1.00 0.00 C ATOM 1069 CG PRO A 75 -4.445 -15.504 -1.412 1.00 0.00 C ATOM 1070 CD PRO A 75 -2.964 -15.706 -1.577 1.00 0.00 C ATOM 0 HA PRO A 75 -3.250 -12.546 -2.323 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.619 -13.712 -1.454 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.921 -14.149 -3.002 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.737 -15.596 -0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.006 -16.256 -1.967 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.553 -16.332 -0.785 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.728 -16.193 -2.523 1.00 0.00 H new ATOM 1078 N GLY A 76 -3.927 -11.282 -0.359 1.00 0.00 N ATOM 1079 CA GLY A 76 -4.119 -10.483 0.837 1.00 0.00 C ATOM 1080 C GLY A 76 -3.977 -8.998 0.571 1.00 0.00 C ATOM 1081 O GLY A 76 -4.341 -8.513 -0.501 1.00 0.00 O ATOM 0 H GLY A 76 -4.010 -10.768 -1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.109 -10.682 1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.393 -10.785 1.592 1.00 0.00 H new ATOM 1085 N VAL A 77 -3.447 -8.271 1.550 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.257 -6.831 1.417 1.00 0.00 C ATOM 1087 C VAL A 77 -1.779 -6.463 1.484 1.00 0.00 C ATOM 1088 O VAL A 77 -1.153 -6.555 2.539 1.00 0.00 O ATOM 1089 CB VAL A 77 -4.017 -6.062 2.514 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -3.513 -4.629 2.608 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -5.514 -6.093 2.247 1.00 0.00 C ATOM 0 H VAL A 77 -3.142 -8.656 2.444 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.655 -6.547 0.443 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.832 -6.551 3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.061 -4.101 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.450 -4.632 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.666 -4.126 1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.035 -5.545 3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.721 -5.630 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.860 -7.127 2.235 1.00 0.00 H new ATOM 1101 N TYR A 78 -1.228 -6.045 0.350 1.00 0.00 N ATOM 1102 CA TYR A 78 0.178 -5.665 0.278 1.00 0.00 C ATOM 1103 C TYR A 78 0.341 -4.154 0.421 1.00 0.00 C ATOM 1104 O TYR A 78 -0.111 -3.387 -0.429 1.00 0.00 O ATOM 1105 CB TYR A 78 0.787 -6.131 -1.045 1.00 0.00 C ATOM 1106 CG TYR A 78 1.044 -7.621 -1.101 1.00 0.00 C ATOM 1107 CD1 TYR A 78 2.232 -8.160 -0.624 1.00 0.00 C ATOM 1108 CD2 TYR A 78 0.097 -8.488 -1.631 1.00 0.00 C ATOM 1109 CE1 TYR A 78 2.470 -9.519 -0.675 1.00 0.00 C ATOM 1110 CE2 TYR A 78 0.326 -9.850 -1.684 1.00 0.00 C ATOM 1111 CZ TYR A 78 1.514 -10.360 -1.205 1.00 0.00 C ATOM 1112 OH TYR A 78 1.747 -11.716 -1.256 1.00 0.00 O ATOM 0 H TYR A 78 -1.733 -5.961 -0.532 1.00 0.00 H new ATOM 0 HA TYR A 78 0.702 -6.149 1.102 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.118 -5.855 -1.860 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.726 -5.602 -1.210 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.982 -7.505 -0.206 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.834 -8.091 -2.008 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.400 -9.921 -0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.421 -10.511 -2.098 1.00 0.00 H new ATOM 0 HH TYR A 78 0.892 -12.194 -1.284 1.00 0.00 H new ATOM 1122 N ILE A 79 0.990 -3.736 1.502 1.00 0.00 N ATOM 1123 CA ILE A 79 1.215 -2.319 1.757 1.00 0.00 C ATOM 1124 C ILE A 79 2.487 -1.832 1.071 1.00 0.00 C ATOM 1125 O ILE A 79 3.597 -2.111 1.526 1.00 0.00 O ATOM 1126 CB ILE A 79 1.315 -2.027 3.266 1.00 0.00 C ATOM 1127 CG1 ILE A 79 -0.005 -2.365 3.961 1.00 0.00 C ATOM 1128 CG2 ILE A 79 1.686 -0.570 3.500 1.00 0.00 C ATOM 1129 CD1 ILE A 79 -1.225 -1.872 3.215 1.00 0.00 C ATOM 0 H ILE A 79 1.369 -4.359 2.215 1.00 0.00 H new ATOM 0 HA ILE A 79 0.357 -1.785 1.348 1.00 0.00 H new ATOM 0 HB ILE A 79 2.099 -2.654 3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.076 -3.446 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.001 -1.931 4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.753 -0.379 4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.648 -0.360 3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.923 0.074 3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.124 -2.147 3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.178 -0.788 3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.254 -2.325 2.224 1.00 0.00 H new ATOM 1141 N VAL A 80 2.319 -1.101 -0.026 1.00 0.00 N ATOM 1142 CA VAL A 80 3.454 -0.572 -0.774 1.00 0.00 C ATOM 1143 C VAL A 80 3.894 0.778 -0.222 1.00 0.00 C ATOM 1144 O VAL A 80 3.310 1.813 -0.544 1.00 0.00 O ATOM 1145 CB VAL A 80 3.118 -0.419 -2.269 1.00 0.00 C ATOM 1146 CG1 VAL A 80 4.285 0.206 -3.018 1.00 0.00 C ATOM 1147 CG2 VAL A 80 2.746 -1.765 -2.873 1.00 0.00 C ATOM 0 H VAL A 80 1.408 -0.861 -0.417 1.00 0.00 H new ATOM 0 HA VAL A 80 4.268 -1.289 -0.664 1.00 0.00 H new ATOM 0 HB VAL A 80 2.259 0.245 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.029 0.306 -4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.499 1.190 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.165 -0.430 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.512 -1.637 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.583 -2.455 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.876 -2.168 -2.355 1.00 0.00 H new ATOM 1157 N SER A 81 4.929 0.761 0.612 1.00 0.00 N ATOM 1158 CA SER A 81 5.447 1.985 1.213 1.00 0.00 C ATOM 1159 C SER A 81 6.310 2.756 0.218 1.00 0.00 C ATOM 1160 O SER A 81 7.490 2.453 0.036 1.00 0.00 O ATOM 1161 CB SER A 81 6.262 1.659 2.466 1.00 0.00 C ATOM 1162 OG SER A 81 5.414 1.363 3.563 1.00 0.00 O ATOM 0 H SER A 81 5.425 -0.087 0.887 1.00 0.00 H new ATOM 0 HA SER A 81 4.599 2.610 1.493 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.916 0.809 2.268 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.904 2.504 2.716 1.00 0.00 H new ATOM 0 HG SER A 81 5.959 1.156 4.351 1.00 0.00 H new ATOM 1168 N THR A 82 5.712 3.754 -0.425 1.00 0.00 N ATOM 1169 CA THR A 82 6.424 4.568 -1.402 1.00 0.00 C ATOM 1170 C THR A 82 6.863 5.896 -0.797 1.00 0.00 C ATOM 1171 O THR A 82 6.034 6.743 -0.462 1.00 0.00 O ATOM 1172 CB THR A 82 5.553 4.845 -2.643 1.00 0.00 C ATOM 1173 OG1 THR A 82 4.776 3.686 -2.965 1.00 0.00 O ATOM 1174 CG2 THR A 82 6.417 5.231 -3.835 1.00 0.00 C ATOM 0 H THR A 82 4.736 4.018 -0.287 1.00 0.00 H new ATOM 0 HA THR A 82 7.305 4.001 -1.704 1.00 0.00 H new ATOM 0 HB THR A 82 4.886 5.676 -2.414 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.224 3.871 -3.753 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.781 5.422 -4.699 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.985 6.131 -3.597 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.105 4.418 -4.064 1.00 0.00 H new ATOM 1182 N LYS A 83 8.172 6.074 -0.658 1.00 0.00 N ATOM 1183 CA LYS A 83 8.723 7.300 -0.094 1.00 0.00 C ATOM 1184 C LYS A 83 9.693 7.960 -1.070 1.00 0.00 C ATOM 1185 O LYS A 83 10.329 7.285 -1.880 1.00 0.00 O ATOM 1186 CB LYS A 83 9.435 7.004 1.227 1.00 0.00 C ATOM 1187 CG LYS A 83 8.514 7.034 2.435 1.00 0.00 C ATOM 1188 CD LYS A 83 9.297 7.174 3.730 1.00 0.00 C ATOM 1189 CE LYS A 83 9.826 5.831 4.209 1.00 0.00 C ATOM 1190 NZ LYS A 83 10.890 5.990 5.238 1.00 0.00 N ATOM 0 H LYS A 83 8.872 5.383 -0.929 1.00 0.00 H new ATOM 0 HA LYS A 83 7.898 7.987 0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.906 6.023 1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.233 7.732 1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.815 7.865 2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.921 6.120 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.129 7.862 3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.658 7.609 4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.006 5.244 4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.222 5.273 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.225 5.052 5.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.684 6.528 4.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.506 6.500 6.059 1.00 0.00 H new ATOM 1204 N PHE A 84 9.803 9.281 -0.985 1.00 0.00 N ATOM 1205 CA PHE A 84 10.696 10.032 -1.860 1.00 0.00 C ATOM 1206 C PHE A 84 11.280 11.241 -1.134 1.00 0.00 C ATOM 1207 O PHE A 84 10.555 12.159 -0.754 1.00 0.00 O ATOM 1208 CB PHE A 84 9.950 10.488 -3.115 1.00 0.00 C ATOM 1209 CG PHE A 84 10.692 11.524 -3.910 1.00 0.00 C ATOM 1210 CD1 PHE A 84 11.772 11.167 -4.702 1.00 0.00 C ATOM 1211 CD2 PHE A 84 10.310 12.855 -3.866 1.00 0.00 C ATOM 1212 CE1 PHE A 84 12.457 12.118 -5.435 1.00 0.00 C ATOM 1213 CE2 PHE A 84 10.990 13.811 -4.597 1.00 0.00 C ATOM 1214 CZ PHE A 84 12.066 13.442 -5.381 1.00 0.00 C ATOM 0 H PHE A 84 9.285 9.854 -0.319 1.00 0.00 H new ATOM 0 HA PHE A 84 11.515 9.375 -2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.760 9.622 -3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.979 10.890 -2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 84 12.082 10.133 -4.747 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.471 13.149 -3.253 1.00 0.00 H new ATOM 0 HE1 PHE A 84 13.296 11.826 -6.049 1.00 0.00 H new ATOM 0 HE2 PHE A 84 10.681 14.845 -4.555 1.00 0.00 H new ATOM 0 HZ PHE A 84 12.601 14.187 -5.951 1.00 0.00 H new ATOM 1224 N ALA A 85 12.595 11.232 -0.945 1.00 0.00 N ATOM 1225 CA ALA A 85 13.277 12.327 -0.266 1.00 0.00 C ATOM 1226 C ALA A 85 12.761 12.495 1.159 1.00 0.00 C ATOM 1227 O ALA A 85 12.553 13.616 1.625 1.00 0.00 O ATOM 1228 CB ALA A 85 13.106 13.620 -1.048 1.00 0.00 C ATOM 0 H ALA A 85 13.210 10.478 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 85 14.339 12.085 -0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.620 14.429 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 85 13.530 13.501 -2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.045 13.858 -1.130 1.00 0.00 H new ATOM 1234 N ASP A 86 12.556 11.377 1.845 1.00 0.00 N ATOM 1235 CA ASP A 86 12.064 11.401 3.218 1.00 0.00 C ATOM 1236 C ASP A 86 10.648 11.966 3.278 1.00 0.00 C ATOM 1237 O ASP A 86 10.328 12.770 4.152 1.00 0.00 O ATOM 1238 CB ASP A 86 12.996 12.232 4.101 1.00 0.00 C ATOM 1239 CG ASP A 86 12.986 11.773 5.546 1.00 0.00 C ATOM 1240 OD1 ASP A 86 12.947 10.547 5.778 1.00 0.00 O ATOM 1241 OD2 ASP A 86 13.016 12.640 6.445 1.00 0.00 O ATOM 0 H ASP A 86 12.723 10.442 1.473 1.00 0.00 H new ATOM 0 HA ASP A 86 12.043 10.376 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 86 14.012 12.171 3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.699 13.280 4.053 1.00 0.00 H new ATOM 1246 N GLU A 87 9.806 11.539 2.342 1.00 0.00 N ATOM 1247 CA GLU A 87 8.425 12.005 2.288 1.00 0.00 C ATOM 1248 C GLU A 87 7.552 11.029 1.504 1.00 0.00 C ATOM 1249 O GLU A 87 7.832 10.722 0.345 1.00 0.00 O ATOM 1250 CB GLU A 87 8.356 13.394 1.650 1.00 0.00 C ATOM 1251 CG GLU A 87 8.684 14.523 2.613 1.00 0.00 C ATOM 1252 CD GLU A 87 8.318 15.886 2.059 1.00 0.00 C ATOM 1253 OE1 GLU A 87 7.210 16.023 1.501 1.00 0.00 O ATOM 1254 OE2 GLU A 87 9.142 16.817 2.185 1.00 0.00 O ATOM 0 H GLU A 87 10.056 10.872 1.612 1.00 0.00 H new ATOM 0 HA GLU A 87 8.048 12.063 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.048 13.433 0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.355 13.550 1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.153 14.361 3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.749 14.502 2.842 1.00 0.00 H new ATOM 1261 N HIS A 88 6.494 10.544 2.145 1.00 0.00 N ATOM 1262 CA HIS A 88 5.579 9.603 1.509 1.00 0.00 C ATOM 1263 C HIS A 88 4.716 10.306 0.465 1.00 0.00 C ATOM 1264 O HIS A 88 4.164 11.376 0.719 1.00 0.00 O ATOM 1265 CB HIS A 88 4.689 8.936 2.558 1.00 0.00 C ATOM 1266 CG HIS A 88 5.280 7.689 3.140 1.00 0.00 C ATOM 1267 ND1 HIS A 88 4.888 6.423 2.761 1.00 0.00 N ATOM 1268 CD2 HIS A 88 6.242 7.519 4.077 1.00 0.00 C ATOM 1269 CE1 HIS A 88 5.581 5.527 3.442 1.00 0.00 C ATOM 1270 NE2 HIS A 88 6.411 6.167 4.247 1.00 0.00 N ATOM 0 H HIS A 88 6.249 10.787 3.105 1.00 0.00 H new ATOM 0 HA HIS A 88 6.173 8.838 1.009 1.00 0.00 H new ATOM 0 HB2 HIS A 88 4.495 9.646 3.362 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.727 8.695 2.106 1.00 0.00 H new ATOM 0 HD2 HIS A 88 6.777 8.301 4.595 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.485 4.455 3.355 1.00 0.00 H new ATOM 0 HE2 HIS A 88 7.070 5.728 4.890 1.00 0.00 H new ATOM 1279 N VAL A 89 4.605 9.696 -0.712 1.00 0.00 N ATOM 1280 CA VAL A 89 3.810 10.263 -1.794 1.00 0.00 C ATOM 1281 C VAL A 89 2.432 10.688 -1.299 1.00 0.00 C ATOM 1282 O VAL A 89 1.928 10.194 -0.291 1.00 0.00 O ATOM 1283 CB VAL A 89 3.642 9.260 -2.951 1.00 0.00 C ATOM 1284 CG1 VAL A 89 4.871 9.267 -3.847 1.00 0.00 C ATOM 1285 CG2 VAL A 89 3.373 7.864 -2.411 1.00 0.00 C ATOM 0 H VAL A 89 5.056 8.810 -0.939 1.00 0.00 H new ATOM 0 HA VAL A 89 4.348 11.139 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 89 2.784 9.564 -3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.734 8.552 -4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.013 10.265 -4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.748 8.989 -3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.257 7.168 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.209 7.548 -1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.460 7.874 -1.816 1.00 0.00 H new ATOM 1295 N PRO A 90 1.806 11.625 -2.026 1.00 0.00 N ATOM 1296 CA PRO A 90 0.476 12.137 -1.681 1.00 0.00 C ATOM 1297 C PRO A 90 -0.619 11.098 -1.897 1.00 0.00 C ATOM 1298 O PRO A 90 -1.282 11.088 -2.934 1.00 0.00 O ATOM 1299 CB PRO A 90 0.290 13.317 -2.638 1.00 0.00 C ATOM 1300 CG PRO A 90 1.167 13.003 -3.800 1.00 0.00 C ATOM 1301 CD PRO A 90 2.347 12.258 -3.240 1.00 0.00 C ATOM 0 HA PRO A 90 0.405 12.410 -0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -0.751 13.419 -2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.577 14.257 -2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.637 12.398 -4.536 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.485 13.914 -4.306 1.00 0.00 H new ATOM 0 HD2 PRO A 90 2.726 11.518 -3.944 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.173 12.930 -3.009 1.00 0.00 H new ATOM 1309 N GLY A 91 -0.804 10.225 -0.912 1.00 0.00 N ATOM 1310 CA GLY A 91 -1.820 9.194 -1.015 1.00 0.00 C ATOM 1311 C GLY A 91 -1.387 7.887 -0.381 1.00 0.00 C ATOM 1312 O GLY A 91 -2.170 6.941 -0.296 1.00 0.00 O ATOM 0 H GLY A 91 -0.268 10.213 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.735 9.541 -0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.055 9.024 -2.066 1.00 0.00 H new ATOM 1316 N SER A 92 -0.135 7.833 0.063 1.00 0.00 N ATOM 1317 CA SER A 92 0.403 6.630 0.687 1.00 0.00 C ATOM 1318 C SER A 92 -0.087 6.499 2.126 1.00 0.00 C ATOM 1319 O SER A 92 -0.539 7.462 2.745 1.00 0.00 O ATOM 1320 CB SER A 92 1.932 6.655 0.657 1.00 0.00 C ATOM 1321 OG SER A 92 2.430 6.010 -0.502 1.00 0.00 O ATOM 0 H SER A 92 0.525 8.608 0.002 1.00 0.00 H new ATOM 0 HA SER A 92 0.050 5.768 0.121 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.282 7.687 0.682 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.324 6.164 1.547 1.00 0.00 H new ATOM 0 HG SER A 92 1.738 6.005 -1.196 1.00 0.00 H new ATOM 1327 N PRO A 93 0.006 5.277 2.673 1.00 0.00 N ATOM 1328 CA PRO A 93 0.542 4.123 1.945 1.00 0.00 C ATOM 1329 C PRO A 93 -0.385 3.660 0.827 1.00 0.00 C ATOM 1330 O PRO A 93 -1.515 4.135 0.708 1.00 0.00 O ATOM 1331 CB PRO A 93 0.657 3.045 3.026 1.00 0.00 C ATOM 1332 CG PRO A 93 -0.356 3.426 4.050 1.00 0.00 C ATOM 1333 CD PRO A 93 -0.407 4.929 4.042 1.00 0.00 C ATOM 0 HA PRO A 93 1.486 4.355 1.452 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.456 2.054 2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.660 3.017 3.452 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.331 3.001 3.812 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.077 3.050 5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.408 5.298 4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.265 5.358 4.786 1.00 0.00 H new ATOM 1341 N PHE A 94 0.099 2.731 0.010 1.00 0.00 N ATOM 1342 CA PHE A 94 -0.687 2.204 -1.100 1.00 0.00 C ATOM 1343 C PHE A 94 -1.221 0.812 -0.775 1.00 0.00 C ATOM 1344 O PHE A 94 -0.474 -0.168 -0.775 1.00 0.00 O ATOM 1345 CB PHE A 94 0.158 2.155 -2.374 1.00 0.00 C ATOM 1346 CG PHE A 94 0.188 3.455 -3.125 1.00 0.00 C ATOM 1347 CD1 PHE A 94 0.460 4.644 -2.467 1.00 0.00 C ATOM 1348 CD2 PHE A 94 -0.057 3.489 -4.488 1.00 0.00 C ATOM 1349 CE1 PHE A 94 0.488 5.843 -3.155 1.00 0.00 C ATOM 1350 CE2 PHE A 94 -0.030 4.684 -5.181 1.00 0.00 C ATOM 1351 CZ PHE A 94 0.242 5.863 -4.514 1.00 0.00 C ATOM 0 H PHE A 94 1.032 2.327 0.095 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.534 2.870 -1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 94 1.178 1.872 -2.113 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.232 1.375 -3.029 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.652 4.634 -1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.272 2.571 -5.015 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.702 6.763 -2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.221 4.696 -6.244 1.00 0.00 H new ATOM 0 HZ PHE A 94 0.262 6.798 -5.054 1.00 0.00 H new ATOM 1361 N THR A 95 -2.519 0.731 -0.499 1.00 0.00 N ATOM 1362 CA THR A 95 -3.153 -0.539 -0.171 1.00 0.00 C ATOM 1363 C THR A 95 -3.589 -1.277 -1.431 1.00 0.00 C ATOM 1364 O THR A 95 -4.609 -0.945 -2.035 1.00 0.00 O ATOM 1365 CB THR A 95 -4.377 -0.337 0.742 1.00 0.00 C ATOM 1366 OG1 THR A 95 -4.122 0.716 1.678 1.00 0.00 O ATOM 1367 CG2 THR A 95 -4.711 -1.618 1.491 1.00 0.00 C ATOM 0 H THR A 95 -3.152 1.531 -0.496 1.00 0.00 H new ATOM 0 HA THR A 95 -2.410 -1.136 0.358 1.00 0.00 H new ATOM 0 HB THR A 95 -5.228 -0.068 0.117 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.906 0.839 2.253 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.579 -1.451 2.129 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.934 -2.410 0.776 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.860 -1.913 2.105 1.00 0.00 H new ATOM 1375 N VAL A 96 -2.811 -2.281 -1.823 1.00 0.00 N ATOM 1376 CA VAL A 96 -3.119 -3.068 -3.011 1.00 0.00 C ATOM 1377 C VAL A 96 -3.755 -4.402 -2.638 1.00 0.00 C ATOM 1378 O VAL A 96 -3.103 -5.275 -2.065 1.00 0.00 O ATOM 1379 CB VAL A 96 -1.855 -3.332 -3.852 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -2.201 -4.131 -5.099 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -1.176 -2.022 -4.219 1.00 0.00 C ATOM 0 H VAL A 96 -1.963 -2.568 -1.335 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.825 -2.485 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.158 -3.920 -3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.296 -4.308 -5.681 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.639 -5.086 -4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.917 -3.572 -5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.285 -2.228 -4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.864 -1.405 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.892 -1.492 -3.310 1.00 0.00 H new ATOM 1391 N LYS A 97 -5.034 -4.554 -2.966 1.00 0.00 N ATOM 1392 CA LYS A 97 -5.761 -5.782 -2.667 1.00 0.00 C ATOM 1393 C LYS A 97 -5.528 -6.829 -3.751 1.00 0.00 C ATOM 1394 O LYS A 97 -5.923 -6.643 -4.902 1.00 0.00 O ATOM 1395 CB LYS A 97 -7.258 -5.493 -2.535 1.00 0.00 C ATOM 1396 CG LYS A 97 -7.682 -5.113 -1.127 1.00 0.00 C ATOM 1397 CD LYS A 97 -7.992 -6.341 -0.287 1.00 0.00 C ATOM 1398 CE LYS A 97 -8.696 -5.968 1.008 1.00 0.00 C ATOM 1399 NZ LYS A 97 -8.596 -7.050 2.026 1.00 0.00 N ATOM 0 H LYS A 97 -5.589 -3.841 -3.440 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.388 -6.175 -1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.525 -4.685 -3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.819 -6.373 -2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.889 -4.536 -0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.561 -4.470 -1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.619 -7.025 -0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.067 -6.871 -0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.260 -5.052 1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.746 -5.758 0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.551 -7.348 2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -8.086 -7.861 1.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.081 -6.697 2.858 1.00 0.00 H new ATOM 1413 N ILE A 98 -4.885 -7.930 -3.376 1.00 0.00 N ATOM 1414 CA ILE A 98 -4.603 -9.007 -4.316 1.00 0.00 C ATOM 1415 C ILE A 98 -5.684 -10.081 -4.262 1.00 0.00 C ATOM 1416 O ILE A 98 -6.146 -10.459 -3.185 1.00 0.00 O ATOM 1417 CB ILE A 98 -3.235 -9.657 -4.033 1.00 0.00 C ATOM 1418 CG1 ILE A 98 -2.108 -8.653 -4.283 1.00 0.00 C ATOM 1419 CG2 ILE A 98 -3.049 -10.896 -4.896 1.00 0.00 C ATOM 1420 CD1 ILE A 98 -2.130 -8.053 -5.672 1.00 0.00 C ATOM 0 H ILE A 98 -4.550 -8.099 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 98 -4.586 -8.562 -5.311 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.202 -9.959 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.177 -7.851 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.150 -9.148 -4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.078 -11.344 -4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.837 -11.616 -4.674 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -3.099 -10.617 -5.949 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.303 -7.351 -5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.030 -8.846 -6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.073 -7.529 -5.827 1.00 0.00 H new ATOM 1432 N SER A 99 -6.082 -10.571 -5.432 1.00 0.00 N ATOM 1433 CA SER A 99 -7.111 -11.601 -5.519 1.00 0.00 C ATOM 1434 C SER A 99 -6.520 -12.919 -6.011 1.00 0.00 C ATOM 1435 O SER A 99 -5.772 -12.951 -6.987 1.00 0.00 O ATOM 1436 CB SER A 99 -8.235 -11.152 -6.455 1.00 0.00 C ATOM 1437 OG SER A 99 -8.840 -9.958 -5.989 1.00 0.00 O ATOM 0 H SER A 99 -5.708 -10.271 -6.332 1.00 0.00 H new ATOM 0 HA SER A 99 -7.520 -11.756 -4.521 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.837 -10.994 -7.457 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.986 -11.939 -6.530 1.00 0.00 H new ATOM 0 HG SER A 99 -9.554 -9.691 -6.605 1.00 0.00 H new ATOM 1443 N GLY A 100 -6.863 -14.006 -5.326 1.00 0.00 N ATOM 1444 CA GLY A 100 -6.358 -15.312 -5.707 1.00 0.00 C ATOM 1445 C GLY A 100 -7.133 -15.920 -6.859 1.00 0.00 C ATOM 1446 O GLY A 100 -7.700 -15.201 -7.681 1.00 0.00 O ATOM 0 H GLY A 100 -7.481 -14.005 -4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.308 -15.225 -5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.405 -15.981 -4.848 1.00 0.00 H new ATOM 1450 N GLU A 101 -7.157 -17.248 -6.920 1.00 0.00 N ATOM 1451 CA GLU A 101 -7.867 -17.951 -7.982 1.00 0.00 C ATOM 1452 C GLU A 101 -9.323 -17.501 -8.053 1.00 0.00 C ATOM 1453 O GLU A 101 -9.790 -16.736 -7.210 1.00 0.00 O ATOM 1454 CB GLU A 101 -7.799 -19.463 -7.757 1.00 0.00 C ATOM 1455 CG GLU A 101 -6.400 -20.038 -7.902 1.00 0.00 C ATOM 1456 CD GLU A 101 -5.959 -20.142 -9.349 1.00 0.00 C ATOM 1457 OE1 GLU A 101 -6.532 -19.425 -10.196 1.00 0.00 O ATOM 1458 OE2 GLU A 101 -5.042 -20.940 -9.634 1.00 0.00 O ATOM 0 H GLU A 101 -6.693 -17.858 -6.247 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.384 -17.710 -8.929 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.175 -19.691 -6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.461 -19.958 -8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -5.695 -19.411 -7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.368 -21.027 -7.445 1.00 0.00 H new ATOM 1465 N GLY A 102 -10.036 -17.982 -9.067 1.00 0.00 N ATOM 1466 CA GLY A 102 -11.431 -17.618 -9.232 1.00 0.00 C ATOM 1467 C GLY A 102 -11.610 -16.369 -10.071 1.00 0.00 C ATOM 1468 O GLY A 102 -12.046 -15.333 -9.570 1.00 0.00 O ATOM 0 H GLY A 102 -9.672 -18.617 -9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.966 -18.445 -9.699 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.880 -17.461 -8.252 1.00 0.00 H new ATOM 1472 N ARG A 103 -11.270 -16.465 -11.353 1.00 0.00 N ATOM 1473 CA ARG A 103 -11.393 -15.333 -12.263 1.00 0.00 C ATOM 1474 C ARG A 103 -12.707 -14.592 -12.035 1.00 0.00 C ATOM 1475 O ARG A 103 -13.688 -15.175 -11.573 1.00 0.00 O ATOM 1476 CB ARG A 103 -11.307 -15.807 -13.715 1.00 0.00 C ATOM 1477 CG ARG A 103 -9.891 -15.831 -14.265 1.00 0.00 C ATOM 1478 CD ARG A 103 -9.747 -16.844 -15.390 1.00 0.00 C ATOM 1479 NE ARG A 103 -8.713 -16.457 -16.346 1.00 0.00 N ATOM 1480 CZ ARG A 103 -8.582 -17.006 -17.549 1.00 0.00 C ATOM 1481 NH1 ARG A 103 -9.415 -17.960 -17.940 1.00 0.00 N ATOM 1482 NH2 ARG A 103 -7.615 -16.600 -18.363 1.00 0.00 N ATOM 0 H ARG A 103 -10.907 -17.315 -11.784 1.00 0.00 H new ATOM 0 HA ARG A 103 -10.570 -14.647 -12.063 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -11.733 -16.808 -13.787 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -11.919 -15.155 -14.338 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -9.625 -14.839 -14.631 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.193 -16.073 -13.464 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -9.505 -17.820 -14.970 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -10.700 -16.947 -15.909 1.00 0.00 H new ATOM 0 HE ARG A 103 -8.056 -15.725 -16.076 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -10.159 -18.274 -17.317 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.312 -18.380 -18.864 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -6.972 -15.866 -18.065 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -7.515 -17.022 -19.286 1.00 0.00 H new ATOM 1496 N VAL A 104 -12.719 -13.304 -12.362 1.00 0.00 N ATOM 1497 CA VAL A 104 -13.912 -12.483 -12.194 1.00 0.00 C ATOM 1498 C VAL A 104 -15.159 -13.223 -12.664 1.00 0.00 C ATOM 1499 O VAL A 104 -16.219 -13.133 -12.045 1.00 0.00 O ATOM 1500 CB VAL A 104 -13.794 -11.156 -12.967 1.00 0.00 C ATOM 1501 CG1 VAL A 104 -12.731 -10.266 -12.340 1.00 0.00 C ATOM 1502 CG2 VAL A 104 -13.484 -11.420 -14.432 1.00 0.00 C ATOM 0 H VAL A 104 -11.915 -12.806 -12.745 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.000 -12.268 -11.129 1.00 0.00 H new ATOM 0 HB VAL A 104 -14.750 -10.635 -12.910 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.662 -9.333 -12.899 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.001 -10.050 -11.306 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.768 -10.776 -12.365 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -13.404 -10.472 -14.964 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -12.542 -11.962 -14.513 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.284 -12.016 -14.872 1.00 0.00 H new ATOM 1512 N LYS A 105 -15.025 -13.957 -13.763 1.00 0.00 N ATOM 1513 CA LYS A 105 -16.140 -14.716 -14.318 1.00 0.00 C ATOM 1514 C LYS A 105 -15.637 -15.899 -15.139 1.00 0.00 C ATOM 1515 O LYS A 105 -14.536 -15.864 -15.687 1.00 0.00 O ATOM 1516 CB LYS A 105 -17.016 -13.813 -15.189 1.00 0.00 C ATOM 1517 CG LYS A 105 -16.362 -13.411 -16.500 1.00 0.00 C ATOM 1518 CD LYS A 105 -17.394 -12.992 -17.532 1.00 0.00 C ATOM 1519 CE LYS A 105 -17.882 -14.180 -18.347 1.00 0.00 C ATOM 1520 NZ LYS A 105 -16.927 -14.538 -19.433 1.00 0.00 N ATOM 0 H LYS A 105 -14.155 -14.043 -14.288 1.00 0.00 H new ATOM 0 HA LYS A 105 -16.735 -15.098 -13.489 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -17.953 -14.327 -15.403 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -17.267 -12.913 -14.627 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.667 -12.589 -16.324 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.777 -14.246 -16.887 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -18.240 -12.521 -17.032 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.962 -12.245 -18.198 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -18.023 -15.038 -17.690 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -18.855 -13.948 -18.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -17.296 -15.352 -19.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.812 -13.728 -20.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.006 -14.784 -19.018 1.00 0.00 H new ATOM 1534 N SER A 106 -16.453 -16.946 -15.221 1.00 0.00 N ATOM 1535 CA SER A 106 -16.090 -18.141 -15.974 1.00 0.00 C ATOM 1536 C SER A 106 -16.847 -18.200 -17.297 1.00 0.00 C ATOM 1537 O SER A 106 -16.250 -18.366 -18.360 1.00 0.00 O ATOM 1538 CB SER A 106 -16.381 -19.397 -15.150 1.00 0.00 C ATOM 1539 OG SER A 106 -15.809 -20.545 -15.751 1.00 0.00 O ATOM 0 H SER A 106 -17.369 -16.991 -14.775 1.00 0.00 H new ATOM 0 HA SER A 106 -15.022 -18.095 -16.188 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.984 -19.274 -14.142 1.00 0.00 H new ATOM 0 HB3 SER A 106 -17.458 -19.531 -15.054 1.00 0.00 H new ATOM 0 HG SER A 106 -16.008 -21.334 -15.204 1.00 0.00 H new ATOM 1545 N GLY A 107 -18.168 -18.064 -17.222 1.00 0.00 N ATOM 1546 CA GLY A 107 -18.986 -18.105 -18.420 1.00 0.00 C ATOM 1547 C GLY A 107 -20.380 -18.638 -18.152 1.00 0.00 C ATOM 1548 O GLY A 107 -20.693 -19.792 -18.444 1.00 0.00 O ATOM 0 H GLY A 107 -18.685 -17.926 -16.354 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -19.058 -17.102 -18.841 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -18.499 -18.731 -19.168 1.00 0.00 H new ATOM 1552 N PRO A 108 -21.243 -17.786 -17.580 1.00 0.00 N ATOM 1553 CA PRO A 108 -22.625 -18.156 -17.258 1.00 0.00 C ATOM 1554 C PRO A 108 -23.481 -18.340 -18.507 1.00 0.00 C ATOM 1555 O PRO A 108 -24.650 -18.718 -18.419 1.00 0.00 O ATOM 1556 CB PRO A 108 -23.128 -16.968 -16.435 1.00 0.00 C ATOM 1557 CG PRO A 108 -22.287 -15.819 -16.875 1.00 0.00 C ATOM 1558 CD PRO A 108 -20.938 -16.395 -17.204 1.00 0.00 C ATOM 0 HA PRO A 108 -22.680 -19.109 -16.732 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -24.185 -16.778 -16.619 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -23.019 -17.152 -15.366 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -22.723 -15.326 -17.744 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -22.209 -15.068 -16.088 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -20.458 -15.854 -18.020 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -20.262 -16.349 -16.350 1.00 0.00 H new ATOM 1566 N SER A 109 -22.892 -18.072 -19.668 1.00 0.00 N ATOM 1567 CA SER A 109 -23.603 -18.205 -20.934 1.00 0.00 C ATOM 1568 C SER A 109 -22.916 -19.223 -21.838 1.00 0.00 C ATOM 1569 O SER A 109 -21.848 -18.958 -22.391 1.00 0.00 O ATOM 1570 CB SER A 109 -23.685 -16.851 -21.642 1.00 0.00 C ATOM 1571 OG SER A 109 -24.644 -16.010 -21.025 1.00 0.00 O ATOM 0 H SER A 109 -21.925 -17.762 -19.758 1.00 0.00 H new ATOM 0 HA SER A 109 -24.612 -18.557 -20.720 1.00 0.00 H new ATOM 0 HB2 SER A 109 -22.708 -16.368 -21.624 1.00 0.00 H new ATOM 0 HB3 SER A 109 -23.948 -17.000 -22.689 1.00 0.00 H new ATOM 0 HG SER A 109 -24.676 -15.151 -21.495 1.00 0.00 H new ATOM 1577 N SER A 110 -23.536 -20.390 -21.984 1.00 0.00 N ATOM 1578 CA SER A 110 -22.984 -21.451 -22.817 1.00 0.00 C ATOM 1579 C SER A 110 -22.576 -20.911 -24.185 1.00 0.00 C ATOM 1580 O SER A 110 -23.385 -20.320 -24.898 1.00 0.00 O ATOM 1581 CB SER A 110 -24.003 -22.579 -22.986 1.00 0.00 C ATOM 1582 OG SER A 110 -23.386 -23.754 -23.484 1.00 0.00 O ATOM 0 H SER A 110 -24.422 -20.624 -21.536 1.00 0.00 H new ATOM 0 HA SER A 110 -22.097 -21.844 -22.320 1.00 0.00 H new ATOM 0 HB2 SER A 110 -24.477 -22.792 -22.028 1.00 0.00 H new ATOM 0 HB3 SER A 110 -24.792 -22.262 -23.668 1.00 0.00 H new ATOM 0 HG SER A 110 -24.058 -24.460 -23.581 1.00 0.00 H new ATOM 1588 N GLY A 111 -21.312 -21.118 -24.543 1.00 0.00 N ATOM 1589 CA GLY A 111 -20.818 -20.647 -25.823 1.00 0.00 C ATOM 1590 C GLY A 111 -19.850 -19.488 -25.680 1.00 0.00 C ATOM 1591 O GLY A 111 -18.784 -19.632 -25.082 1.00 0.00 O ATOM 0 H GLY A 111 -20.622 -21.603 -23.969 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -20.323 -21.468 -26.342 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -21.660 -20.339 -26.443 1.00 0.00 H new TER 1595 GLY A 111