USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 758 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 SER OG : rot 10:sc= 0.898 USER MOD Set 1.2: A 92 HIS : no HE2:sc= -2.88! C(o=-2!,f=-1.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 46:sc= 0.754 USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= 1.17 (180deg=0.848) USER MOD Single : A 18 GLN : amide:sc= -0.949 K(o=-0.95,f=-2.3!) USER MOD Single : A 30 CYS SG : rot 180:sc= -3.4! USER MOD Single : A 33 SER OG : rot -117:sc= 1.22 USER MOD Single : A 37 THR OG1 : rot -120:sc= -0.509 USER MOD Single : A 40 HIS : no HD1:sc= -0.0997 X(o=-0.1,f=-0.012) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc=-0.00504 K(o=-0.005,f=-0.58) USER MOD Single : A 53 LYS NZ :NH3+ 177:sc= 0.406 (180deg=0.402) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 62 MET CE :methyl -176:sc= -0.363 (180deg=-0.374) USER MOD Single : A 64 MET CE :methyl 164:sc= -0.0723 (180deg=-0.455) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 125:sc= 0.0211 USER MOD Single : A 79 THR OG1 : rot -10:sc= -0.0853 USER MOD Single : A 80 CYS SG : rot 180:sc= -2.46 USER MOD Single : A 85 SER OG : rot 160:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 152:sc= -0.0802 (180deg=-0.631) USER MOD Single : A 87 SER OG : rot -80:sc= 0.0395 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 48:sc= 0.275 USER MOD Single : A 101 SER OG : rot 20:sc= 0.426 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.878 36.385 -3.294 1.00 0.00 N ATOM 2 CA GLY A 1 -2.927 35.350 -2.933 1.00 0.00 C ATOM 3 C GLY A 1 -2.136 35.699 -1.688 1.00 0.00 C ATOM 4 O GLY A 1 -0.905 35.704 -1.707 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.393 36.099 -4.151 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.552 36.524 -2.515 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.371 37.275 -3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.459 34.413 -2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.239 35.187 -3.763 1.00 0.00 H new ATOM 8 N SER A 2 -2.844 35.993 -0.602 1.00 0.00 N ATOM 9 CA SER A 2 -2.200 36.350 0.657 1.00 0.00 C ATOM 10 C SER A 2 -1.259 35.242 1.119 1.00 0.00 C ATOM 11 O SER A 2 -0.080 35.482 1.378 1.00 0.00 O ATOM 12 CB SER A 2 -3.253 36.623 1.733 1.00 0.00 C ATOM 13 OG SER A 2 -2.657 37.144 2.909 1.00 0.00 O ATOM 0 H SER A 2 -3.863 35.991 -0.569 1.00 0.00 H new ATOM 0 HA SER A 2 -1.615 37.255 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.992 37.328 1.353 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.784 35.701 1.969 1.00 0.00 H new ATOM 0 HG SER A 2 -3.351 37.312 3.581 1.00 0.00 H new ATOM 19 N SER A 3 -1.790 34.028 1.221 1.00 0.00 N ATOM 20 CA SER A 3 -1.000 32.882 1.656 1.00 0.00 C ATOM 21 C SER A 3 -0.561 32.040 0.462 1.00 0.00 C ATOM 22 O SER A 3 -1.313 31.862 -0.496 1.00 0.00 O ATOM 23 CB SER A 3 -1.804 32.023 2.634 1.00 0.00 C ATOM 24 OG SER A 3 -2.956 31.483 2.010 1.00 0.00 O ATOM 0 H SER A 3 -2.764 33.812 1.008 1.00 0.00 H new ATOM 0 HA SER A 3 -0.109 33.256 2.161 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.178 31.214 3.012 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.100 32.625 3.493 1.00 0.00 H new ATOM 0 HG SER A 3 -3.452 30.937 2.655 1.00 0.00 H new ATOM 30 N GLY A 4 0.662 31.523 0.527 1.00 0.00 N ATOM 31 CA GLY A 4 1.181 30.706 -0.554 1.00 0.00 C ATOM 32 C GLY A 4 2.215 29.704 -0.079 1.00 0.00 C ATOM 33 O GLY A 4 2.423 29.540 1.123 1.00 0.00 O ATOM 0 H GLY A 4 1.303 31.656 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.358 30.175 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.626 31.351 -1.311 1.00 0.00 H new ATOM 37 N SER A 5 2.864 29.032 -1.024 1.00 0.00 N ATOM 38 CA SER A 5 3.878 28.037 -0.696 1.00 0.00 C ATOM 39 C SER A 5 4.949 27.975 -1.780 1.00 0.00 C ATOM 40 O SER A 5 4.689 28.284 -2.943 1.00 0.00 O ATOM 41 CB SER A 5 3.234 26.661 -0.519 1.00 0.00 C ATOM 42 OG SER A 5 2.612 26.231 -1.718 1.00 0.00 O ATOM 0 H SER A 5 2.706 29.159 -2.024 1.00 0.00 H new ATOM 0 HA SER A 5 4.351 28.332 0.241 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.992 25.937 -0.219 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.497 26.701 0.283 1.00 0.00 H new ATOM 0 HG SER A 5 2.209 25.348 -1.579 1.00 0.00 H new ATOM 48 N SER A 6 6.154 27.573 -1.390 1.00 0.00 N ATOM 49 CA SER A 6 7.267 27.473 -2.327 1.00 0.00 C ATOM 50 C SER A 6 7.571 26.015 -2.657 1.00 0.00 C ATOM 51 O SER A 6 8.377 25.370 -1.987 1.00 0.00 O ATOM 52 CB SER A 6 8.512 28.147 -1.747 1.00 0.00 C ATOM 53 OG SER A 6 8.882 27.558 -0.512 1.00 0.00 O ATOM 0 H SER A 6 6.385 27.311 -0.432 1.00 0.00 H new ATOM 0 HA SER A 6 6.982 27.983 -3.247 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.337 28.065 -2.455 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.320 29.210 -1.603 1.00 0.00 H new ATOM 0 HG SER A 6 8.851 26.582 -0.593 1.00 0.00 H new ATOM 59 N GLY A 7 6.918 25.501 -3.695 1.00 0.00 N ATOM 60 CA GLY A 7 7.131 24.123 -4.097 1.00 0.00 C ATOM 61 C GLY A 7 6.674 23.135 -3.042 1.00 0.00 C ATOM 62 O GLY A 7 7.477 22.574 -2.296 1.00 0.00 O ATOM 0 H GLY A 7 6.245 26.014 -4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.595 23.932 -5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.190 23.967 -4.302 1.00 0.00 H new ATOM 66 N PRO A 8 5.354 22.910 -2.969 1.00 0.00 N ATOM 67 CA PRO A 8 4.761 21.983 -2.000 1.00 0.00 C ATOM 68 C PRO A 8 5.091 20.527 -2.313 1.00 0.00 C ATOM 69 O PRO A 8 5.855 20.239 -3.234 1.00 0.00 O ATOM 70 CB PRO A 8 3.258 22.233 -2.142 1.00 0.00 C ATOM 71 CG PRO A 8 3.091 22.757 -3.527 1.00 0.00 C ATOM 72 CD PRO A 8 4.338 23.543 -3.826 1.00 0.00 C ATOM 0 HA PRO A 8 5.141 22.150 -0.992 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.688 21.316 -1.994 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.904 22.951 -1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.963 21.942 -4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.205 23.388 -3.601 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.608 23.483 -4.880 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.214 24.600 -3.589 1.00 0.00 H new ATOM 80 N ALA A 9 4.509 19.614 -1.543 1.00 0.00 N ATOM 81 CA ALA A 9 4.739 18.189 -1.740 1.00 0.00 C ATOM 82 C ALA A 9 3.479 17.493 -2.243 1.00 0.00 C ATOM 83 O ALA A 9 3.389 16.266 -2.232 1.00 0.00 O ATOM 84 CB ALA A 9 5.218 17.547 -0.447 1.00 0.00 C ATOM 0 H ALA A 9 3.874 19.836 -0.776 1.00 0.00 H new ATOM 0 HA ALA A 9 5.513 18.074 -2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.386 16.482 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.149 18.017 -0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.463 17.681 0.327 1.00 0.00 H new ATOM 90 N ALA A 10 2.507 18.286 -2.682 1.00 0.00 N ATOM 91 CA ALA A 10 1.252 17.746 -3.190 1.00 0.00 C ATOM 92 C ALA A 10 1.484 16.455 -3.968 1.00 0.00 C ATOM 93 O ALA A 10 2.569 16.230 -4.505 1.00 0.00 O ATOM 94 CB ALA A 10 0.551 18.774 -4.067 1.00 0.00 C ATOM 0 H ALA A 10 2.565 19.304 -2.696 1.00 0.00 H new ATOM 0 HA ALA A 10 0.613 17.516 -2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.385 18.357 -4.439 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.342 19.669 -3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.193 19.033 -4.909 1.00 0.00 H new ATOM 100 N ILE A 11 0.459 15.611 -4.023 1.00 0.00 N ATOM 101 CA ILE A 11 0.553 14.343 -4.736 1.00 0.00 C ATOM 102 C ILE A 11 0.057 14.481 -6.171 1.00 0.00 C ATOM 103 O ILE A 11 -1.134 14.680 -6.411 1.00 0.00 O ATOM 104 CB ILE A 11 -0.256 13.239 -4.030 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.221 13.072 -2.585 1.00 0.00 C ATOM 106 CG2 ILE A 11 -0.134 11.926 -4.788 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.853 12.562 -1.650 1.00 0.00 C ATOM 0 H ILE A 11 -0.445 15.782 -3.583 1.00 0.00 H new ATOM 0 HA ILE A 11 1.606 14.063 -4.743 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.306 13.531 -4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.065 12.382 -2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.585 14.031 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.711 11.156 -4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.516 12.054 -5.801 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.913 11.626 -4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.445 12.468 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.688 13.262 -1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.201 11.588 -1.993 1.00 0.00 H new ATOM 119 N ILE A 12 0.979 14.372 -7.123 1.00 0.00 N ATOM 120 CA ILE A 12 0.634 14.482 -8.535 1.00 0.00 C ATOM 121 C ILE A 12 0.201 13.135 -9.101 1.00 0.00 C ATOM 122 O ILE A 12 -0.693 13.062 -9.945 1.00 0.00 O ATOM 123 CB ILE A 12 1.818 15.018 -9.363 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.142 14.523 -8.778 1.00 0.00 C ATOM 125 CG2 ILE A 12 1.787 16.538 -9.408 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.693 15.417 -7.689 1.00 0.00 C ATOM 0 H ILE A 12 1.969 14.208 -6.942 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.196 15.186 -8.604 1.00 0.00 H new ATOM 0 HB ILE A 12 1.730 14.642 -10.382 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.000 13.520 -8.376 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.877 14.444 -9.579 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.629 16.902 -9.996 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.855 16.870 -9.865 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.855 16.933 -8.395 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.632 15.005 -7.321 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.867 16.415 -8.091 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.977 15.476 -6.870 1.00 0.00 H new ATOM 138 N LYS A 13 0.838 12.068 -8.631 1.00 0.00 N ATOM 139 CA LYS A 13 0.518 10.721 -9.087 1.00 0.00 C ATOM 140 C LYS A 13 -0.237 9.947 -8.010 1.00 0.00 C ATOM 141 O LYS A 13 0.355 9.359 -7.105 1.00 0.00 O ATOM 142 CB LYS A 13 1.796 9.971 -9.467 1.00 0.00 C ATOM 143 CG LYS A 13 2.545 10.597 -10.631 1.00 0.00 C ATOM 144 CD LYS A 13 3.647 9.684 -11.141 1.00 0.00 C ATOM 145 CE LYS A 13 4.071 10.057 -12.553 1.00 0.00 C ATOM 146 NZ LYS A 13 4.186 11.532 -12.726 1.00 0.00 N ATOM 0 H LYS A 13 1.581 12.111 -7.933 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.121 10.805 -9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.456 9.932 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.542 8.942 -9.721 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.847 10.813 -11.440 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.975 11.548 -10.318 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.507 9.743 -10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.301 8.650 -11.125 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.029 9.589 -12.780 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.347 9.663 -13.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.741 11.739 -13.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.236 11.946 -12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.661 11.943 -11.897 1.00 0.00 H new ATOM 160 N PRO A 14 -1.575 9.946 -8.109 1.00 0.00 N ATOM 161 CA PRO A 14 -2.438 9.246 -7.153 1.00 0.00 C ATOM 162 C PRO A 14 -2.329 7.730 -7.276 1.00 0.00 C ATOM 163 O PRO A 14 -1.956 7.207 -8.327 1.00 0.00 O ATOM 164 CB PRO A 14 -3.844 9.714 -7.537 1.00 0.00 C ATOM 165 CG PRO A 14 -3.739 10.090 -8.975 1.00 0.00 C ATOM 166 CD PRO A 14 -2.347 10.626 -9.162 1.00 0.00 C ATOM 0 HA PRO A 14 -2.167 9.467 -6.121 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.579 8.923 -7.387 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.159 10.561 -6.928 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.915 9.227 -9.618 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.485 10.840 -9.238 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.959 10.399 -10.155 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.315 11.709 -9.048 1.00 0.00 H new ATOM 174 N LEU A 15 -2.658 7.029 -6.196 1.00 0.00 N ATOM 175 CA LEU A 15 -2.597 5.572 -6.182 1.00 0.00 C ATOM 176 C LEU A 15 -3.590 4.976 -7.175 1.00 0.00 C ATOM 177 O LEU A 15 -4.346 5.701 -7.821 1.00 0.00 O ATOM 178 CB LEU A 15 -2.885 5.043 -4.776 1.00 0.00 C ATOM 179 CG LEU A 15 -2.094 5.692 -3.640 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.875 5.619 -2.337 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.735 5.025 -3.488 1.00 0.00 C ATOM 0 H LEU A 15 -2.970 7.446 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.591 5.272 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.948 5.172 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.686 3.971 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.935 6.742 -3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.297 6.086 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.824 6.143 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.065 4.576 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.186 5.500 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.872 3.967 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.172 5.130 -4.416 1.00 0.00 H new ATOM 193 N GLU A 16 -3.584 3.652 -7.289 1.00 0.00 N ATOM 194 CA GLU A 16 -4.486 2.960 -8.202 1.00 0.00 C ATOM 195 C GLU A 16 -4.887 1.598 -7.643 1.00 0.00 C ATOM 196 O GLU A 16 -4.121 0.963 -6.918 1.00 0.00 O ATOM 197 CB GLU A 16 -3.826 2.787 -9.572 1.00 0.00 C ATOM 198 CG GLU A 16 -3.722 4.079 -10.365 1.00 0.00 C ATOM 199 CD GLU A 16 -3.314 3.847 -11.807 1.00 0.00 C ATOM 200 OE1 GLU A 16 -4.145 3.332 -12.584 1.00 0.00 O ATOM 201 OE2 GLU A 16 -2.163 4.180 -12.159 1.00 0.00 O ATOM 0 H GLU A 16 -2.965 3.037 -6.761 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.385 3.566 -8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.827 2.373 -9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.395 2.060 -10.151 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.683 4.594 -10.341 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.996 4.737 -9.887 1.00 0.00 H new ATOM 208 N ASP A 17 -6.092 1.157 -7.985 1.00 0.00 N ATOM 209 CA ASP A 17 -6.596 -0.129 -7.518 1.00 0.00 C ATOM 210 C ASP A 17 -5.615 -1.250 -7.848 1.00 0.00 C ATOM 211 O ASP A 17 -5.206 -1.410 -8.997 1.00 0.00 O ATOM 212 CB ASP A 17 -7.959 -0.426 -8.146 1.00 0.00 C ATOM 213 CG ASP A 17 -8.874 0.782 -8.142 1.00 0.00 C ATOM 214 OD1 ASP A 17 -8.734 1.629 -7.235 1.00 0.00 O ATOM 215 OD2 ASP A 17 -9.730 0.882 -9.046 1.00 0.00 O ATOM 0 H ASP A 17 -6.738 1.671 -8.584 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.708 -0.075 -6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.817 -0.767 -9.172 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.436 -1.241 -7.602 1.00 0.00 H new ATOM 220 N GLN A 18 -5.242 -2.021 -6.832 1.00 0.00 N ATOM 221 CA GLN A 18 -4.307 -3.125 -7.014 1.00 0.00 C ATOM 222 C GLN A 18 -5.036 -4.464 -6.998 1.00 0.00 C ATOM 223 O GLN A 18 -5.851 -4.727 -6.114 1.00 0.00 O ATOM 224 CB GLN A 18 -3.236 -3.100 -5.922 1.00 0.00 C ATOM 225 CG GLN A 18 -2.335 -1.877 -5.981 1.00 0.00 C ATOM 226 CD GLN A 18 -1.738 -1.657 -7.357 1.00 0.00 C ATOM 227 OE1 GLN A 18 -1.644 -2.585 -8.161 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.329 -0.425 -7.635 1.00 0.00 N ATOM 0 H GLN A 18 -5.573 -1.902 -5.875 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.827 -3.005 -7.985 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.722 -3.136 -4.947 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.623 -3.997 -6.006 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.907 -0.995 -5.692 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.531 -1.988 -5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.426 0.314 -6.939 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.918 -0.217 -8.545 1.00 0.00 H new ATOM 237 N TRP A 19 -4.738 -5.306 -7.981 1.00 0.00 N ATOM 238 CA TRP A 19 -5.366 -6.619 -8.079 1.00 0.00 C ATOM 239 C TRP A 19 -4.372 -7.725 -7.741 1.00 0.00 C ATOM 240 O TRP A 19 -3.530 -8.087 -8.562 1.00 0.00 O ATOM 241 CB TRP A 19 -5.929 -6.834 -9.485 1.00 0.00 C ATOM 242 CG TRP A 19 -7.239 -6.142 -9.713 1.00 0.00 C ATOM 243 CD1 TRP A 19 -8.473 -6.572 -9.316 1.00 0.00 C ATOM 244 CD2 TRP A 19 -7.444 -4.898 -10.391 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.433 -5.671 -9.708 1.00 0.00 N ATOM 246 CE2 TRP A 19 -8.828 -4.635 -10.368 1.00 0.00 C ATOM 247 CE3 TRP A 19 -6.594 -3.980 -11.014 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -9.377 -3.493 -10.946 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.141 -2.848 -11.587 1.00 0.00 C ATOM 250 CH2 TRP A 19 -8.522 -2.612 -11.549 1.00 0.00 C ATOM 0 H TRP A 19 -4.066 -5.103 -8.721 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.183 -6.658 -7.358 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.205 -6.476 -10.217 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.056 -7.903 -9.658 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -8.666 -7.486 -8.774 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.434 -5.759 -9.535 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -5.528 -4.152 -11.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -10.441 -3.309 -10.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -6.493 -2.133 -12.072 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -8.919 -1.717 -12.005 1.00 0.00 H new ATOM 261 N VAL A 20 -4.476 -8.258 -6.528 1.00 0.00 N ATOM 262 CA VAL A 20 -3.587 -9.324 -6.083 1.00 0.00 C ATOM 263 C VAL A 20 -4.377 -10.499 -5.518 1.00 0.00 C ATOM 264 O VAL A 20 -5.607 -10.504 -5.547 1.00 0.00 O ATOM 265 CB VAL A 20 -2.600 -8.821 -5.012 1.00 0.00 C ATOM 266 CG1 VAL A 20 -1.812 -7.627 -5.530 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.339 -8.467 -3.731 1.00 0.00 C ATOM 0 H VAL A 20 -5.167 -7.969 -5.836 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.026 -9.654 -6.958 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.895 -9.622 -4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.120 -7.286 -4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.251 -7.919 -6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.499 -6.820 -5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.626 -8.114 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.068 -7.683 -3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.853 -9.350 -3.352 1.00 0.00 H new ATOM 277 N ALA A 21 -3.661 -11.494 -5.004 1.00 0.00 N ATOM 278 CA ALA A 21 -4.295 -12.674 -4.429 1.00 0.00 C ATOM 279 C ALA A 21 -4.090 -12.727 -2.919 1.00 0.00 C ATOM 280 O ALA A 21 -3.251 -12.023 -2.357 1.00 0.00 O ATOM 281 CB ALA A 21 -3.752 -13.936 -5.083 1.00 0.00 C ATOM 0 H ALA A 21 -2.642 -11.506 -4.974 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.366 -12.611 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.234 -14.810 -4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.957 -13.908 -6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.676 -13.996 -4.921 1.00 0.00 H new ATOM 287 N PRO A 22 -4.873 -13.582 -2.245 1.00 0.00 N ATOM 288 CA PRO A 22 -4.796 -13.747 -0.790 1.00 0.00 C ATOM 289 C PRO A 22 -3.505 -14.432 -0.353 1.00 0.00 C ATOM 290 O PRO A 22 -3.431 -15.658 -0.293 1.00 0.00 O ATOM 291 CB PRO A 22 -6.004 -14.630 -0.469 1.00 0.00 C ATOM 292 CG PRO A 22 -6.272 -15.380 -1.728 1.00 0.00 C ATOM 293 CD PRO A 22 -5.895 -14.453 -2.850 1.00 0.00 C ATOM 0 HA PRO A 22 -4.801 -12.789 -0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.790 -15.308 0.357 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.865 -14.030 -0.175 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.687 -16.299 -1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.321 -15.668 -1.795 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.501 -14.999 -3.707 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.753 -13.881 -3.204 1.00 0.00 H new ATOM 301 N GLY A 23 -2.489 -13.630 -0.048 1.00 0.00 N ATOM 302 CA GLY A 23 -1.215 -14.177 0.381 1.00 0.00 C ATOM 303 C GLY A 23 -0.037 -13.480 -0.269 1.00 0.00 C ATOM 304 O GLY A 23 1.105 -13.648 0.158 1.00 0.00 O ATOM 0 H GLY A 23 -2.526 -12.612 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.132 -14.090 1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.181 -15.240 0.143 1.00 0.00 H new ATOM 308 N GLU A 24 -0.314 -12.696 -1.307 1.00 0.00 N ATOM 309 CA GLU A 24 0.734 -11.973 -2.018 1.00 0.00 C ATOM 310 C GLU A 24 1.000 -10.619 -1.366 1.00 0.00 C ATOM 311 O GLU A 24 0.265 -10.192 -0.476 1.00 0.00 O ATOM 312 CB GLU A 24 0.344 -11.778 -3.485 1.00 0.00 C ATOM 313 CG GLU A 24 -0.448 -12.938 -4.064 1.00 0.00 C ATOM 314 CD GLU A 24 -0.219 -13.116 -5.552 1.00 0.00 C ATOM 315 OE1 GLU A 24 0.853 -13.631 -5.931 1.00 0.00 O ATOM 316 OE2 GLU A 24 -1.113 -12.739 -6.338 1.00 0.00 O ATOM 0 H GLU A 24 -1.254 -12.546 -1.673 1.00 0.00 H new ATOM 0 HA GLU A 24 1.647 -12.566 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.245 -10.865 -3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.248 -11.635 -4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.172 -13.856 -3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.510 -12.775 -3.881 1.00 0.00 H new ATOM 323 N ASP A 25 2.055 -9.950 -1.817 1.00 0.00 N ATOM 324 CA ASP A 25 2.419 -8.644 -1.279 1.00 0.00 C ATOM 325 C ASP A 25 1.993 -7.528 -2.227 1.00 0.00 C ATOM 326 O ASP A 25 2.274 -7.575 -3.425 1.00 0.00 O ATOM 327 CB ASP A 25 3.927 -8.572 -1.032 1.00 0.00 C ATOM 328 CG ASP A 25 4.733 -8.969 -2.253 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.922 -10.185 -2.469 1.00 0.00 O ATOM 330 OD2 ASP A 25 5.175 -8.065 -2.992 1.00 0.00 O ATOM 0 H ASP A 25 2.673 -10.290 -2.554 1.00 0.00 H new ATOM 0 HA ASP A 25 1.897 -8.511 -0.332 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.196 -7.558 -0.737 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.188 -9.226 -0.200 1.00 0.00 H new ATOM 335 N VAL A 26 1.311 -6.524 -1.684 1.00 0.00 N ATOM 336 CA VAL A 26 0.846 -5.396 -2.481 1.00 0.00 C ATOM 337 C VAL A 26 1.726 -4.170 -2.264 1.00 0.00 C ATOM 338 O VAL A 26 2.192 -3.917 -1.154 1.00 0.00 O ATOM 339 CB VAL A 26 -0.612 -5.033 -2.143 1.00 0.00 C ATOM 340 CG1 VAL A 26 -0.996 -3.709 -2.786 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.553 -6.143 -2.585 1.00 0.00 C ATOM 0 H VAL A 26 1.068 -6.469 -0.695 1.00 0.00 H new ATOM 0 HA VAL A 26 0.904 -5.702 -3.526 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.700 -4.923 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.029 -3.469 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.341 -2.921 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.893 -3.787 -3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.579 -5.870 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.465 -6.288 -3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.291 -7.068 -2.072 1.00 0.00 H new ATOM 351 N GLU A 27 1.950 -3.412 -3.334 1.00 0.00 N ATOM 352 CA GLU A 27 2.775 -2.212 -3.260 1.00 0.00 C ATOM 353 C GLU A 27 2.059 -1.020 -3.890 1.00 0.00 C ATOM 354 O GLU A 27 1.746 -1.028 -5.081 1.00 0.00 O ATOM 355 CB GLU A 27 4.115 -2.445 -3.960 1.00 0.00 C ATOM 356 CG GLU A 27 4.915 -3.598 -3.378 1.00 0.00 C ATOM 357 CD GLU A 27 6.092 -3.991 -4.249 1.00 0.00 C ATOM 358 OE1 GLU A 27 5.867 -4.636 -5.294 1.00 0.00 O ATOM 359 OE2 GLU A 27 7.238 -3.653 -3.885 1.00 0.00 O ATOM 0 H GLU A 27 1.572 -3.608 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 27 2.956 -1.990 -2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.934 -2.637 -5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.710 -1.534 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.277 -3.320 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.261 -4.460 -3.248 1.00 0.00 H new ATOM 366 N LEU A 28 1.804 0.003 -3.082 1.00 0.00 N ATOM 367 CA LEU A 28 1.125 1.203 -3.558 1.00 0.00 C ATOM 368 C LEU A 28 2.079 2.392 -3.589 1.00 0.00 C ATOM 369 O LEU A 28 2.211 3.120 -2.605 1.00 0.00 O ATOM 370 CB LEU A 28 -0.077 1.521 -2.666 1.00 0.00 C ATOM 371 CG LEU A 28 -1.121 0.413 -2.527 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.891 0.565 -1.224 1.00 0.00 C ATOM 373 CD2 LEU A 28 -2.073 0.424 -3.715 1.00 0.00 C ATOM 0 H LEU A 28 2.057 0.026 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 28 0.776 1.015 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.291 1.773 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.570 2.410 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.604 -0.546 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.630 -0.233 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.199 0.506 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.397 1.531 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.809 -0.371 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.583 1.386 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.509 0.265 -4.634 1.00 0.00 H new ATOM 385 N ARG A 29 2.740 2.585 -4.725 1.00 0.00 N ATOM 386 CA ARG A 29 3.681 3.687 -4.885 1.00 0.00 C ATOM 387 C ARG A 29 2.950 4.981 -5.229 1.00 0.00 C ATOM 388 O ARG A 29 1.801 4.957 -5.672 1.00 0.00 O ATOM 389 CB ARG A 29 4.702 3.360 -5.976 1.00 0.00 C ATOM 390 CG ARG A 29 5.737 2.330 -5.554 1.00 0.00 C ATOM 391 CD ARG A 29 6.547 1.835 -6.741 1.00 0.00 C ATOM 392 NE ARG A 29 5.835 0.809 -7.499 1.00 0.00 N ATOM 393 CZ ARG A 29 6.369 0.147 -8.520 1.00 0.00 C ATOM 394 NH1 ARG A 29 7.612 0.401 -8.902 1.00 0.00 N ATOM 395 NH2 ARG A 29 5.658 -0.773 -9.160 1.00 0.00 N ATOM 0 H ARG A 29 2.641 1.992 -5.549 1.00 0.00 H new ATOM 0 HA ARG A 29 4.203 3.826 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.175 2.993 -6.857 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.213 4.277 -6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.406 2.767 -4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.239 1.487 -5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.780 2.674 -7.397 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.497 1.432 -6.389 1.00 0.00 H new ATOM 0 HE ARG A 29 4.876 0.589 -7.230 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.162 1.106 -8.412 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.019 -0.109 -9.686 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.701 -0.972 -8.868 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.068 -1.281 -9.944 1.00 0.00 H new ATOM 409 N CYS A 30 3.622 6.107 -5.020 1.00 0.00 N ATOM 410 CA CYS A 30 3.035 7.412 -5.307 1.00 0.00 C ATOM 411 C CYS A 30 4.111 8.415 -5.709 1.00 0.00 C ATOM 412 O CYS A 30 5.282 8.062 -5.847 1.00 0.00 O ATOM 413 CB CYS A 30 2.269 7.929 -4.088 1.00 0.00 C ATOM 414 SG CYS A 30 3.300 8.795 -2.882 1.00 0.00 S ATOM 0 H CYS A 30 4.573 6.144 -4.653 1.00 0.00 H new ATOM 0 HA CYS A 30 2.342 7.296 -6.140 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.481 8.602 -4.426 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.781 7.088 -3.595 1.00 0.00 H new ATOM 0 HG CYS A 30 2.563 9.196 -1.889 1.00 0.00 H new ATOM 420 N GLU A 31 3.705 9.667 -5.898 1.00 0.00 N ATOM 421 CA GLU A 31 4.635 10.720 -6.287 1.00 0.00 C ATOM 422 C GLU A 31 4.269 12.044 -5.621 1.00 0.00 C ATOM 423 O GLU A 31 3.092 12.386 -5.500 1.00 0.00 O ATOM 424 CB GLU A 31 4.643 10.888 -7.808 1.00 0.00 C ATOM 425 CG GLU A 31 5.869 11.616 -8.334 1.00 0.00 C ATOM 426 CD GLU A 31 6.234 11.200 -9.745 1.00 0.00 C ATOM 427 OE1 GLU A 31 6.769 10.085 -9.916 1.00 0.00 O ATOM 428 OE2 GLU A 31 5.984 11.990 -10.680 1.00 0.00 O ATOM 0 H GLU A 31 2.739 9.976 -5.788 1.00 0.00 H new ATOM 0 HA GLU A 31 5.632 10.429 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.587 9.904 -8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.749 11.434 -8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.686 12.690 -8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.713 11.423 -7.672 1.00 0.00 H new ATOM 435 N LEU A 32 5.284 12.783 -5.189 1.00 0.00 N ATOM 436 CA LEU A 32 5.070 14.069 -4.534 1.00 0.00 C ATOM 437 C LEU A 32 5.835 15.178 -5.249 1.00 0.00 C ATOM 438 O LEU A 32 6.936 14.961 -5.755 1.00 0.00 O ATOM 439 CB LEU A 32 5.506 13.996 -3.070 1.00 0.00 C ATOM 440 CG LEU A 32 5.278 12.657 -2.367 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.271 12.475 -1.230 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.849 12.563 -1.851 1.00 0.00 C ATOM 0 H LEU A 32 6.264 12.514 -5.280 1.00 0.00 H new ATOM 0 HA LEU A 32 4.006 14.299 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.568 14.236 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.976 14.770 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 32 5.436 11.857 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.093 11.517 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.286 12.498 -1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.146 13.280 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.704 11.604 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.664 13.371 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.154 12.647 -2.687 1.00 0.00 H new ATOM 454 N SER A 33 5.244 16.368 -5.286 1.00 0.00 N ATOM 455 CA SER A 33 5.869 17.512 -5.940 1.00 0.00 C ATOM 456 C SER A 33 7.260 17.771 -5.370 1.00 0.00 C ATOM 457 O SER A 33 8.133 18.307 -6.053 1.00 0.00 O ATOM 458 CB SER A 33 4.998 18.759 -5.776 1.00 0.00 C ATOM 459 OG SER A 33 5.779 19.939 -5.843 1.00 0.00 O ATOM 0 H SER A 33 4.333 16.565 -4.871 1.00 0.00 H new ATOM 0 HA SER A 33 5.967 17.283 -7.001 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.236 18.779 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.476 18.719 -4.820 1.00 0.00 H new ATOM 0 HG SER A 33 5.728 20.414 -4.988 1.00 0.00 H new ATOM 465 N ARG A 34 7.459 17.386 -4.114 1.00 0.00 N ATOM 466 CA ARG A 34 8.743 17.577 -3.450 1.00 0.00 C ATOM 467 C ARG A 34 9.015 16.451 -2.457 1.00 0.00 C ATOM 468 O ARG A 34 8.092 15.779 -1.998 1.00 0.00 O ATOM 469 CB ARG A 34 8.773 18.926 -2.729 1.00 0.00 C ATOM 470 CG ARG A 34 7.983 18.940 -1.431 1.00 0.00 C ATOM 471 CD ARG A 34 8.535 19.966 -0.454 1.00 0.00 C ATOM 472 NE ARG A 34 7.773 20.002 0.791 1.00 0.00 N ATOM 473 CZ ARG A 34 8.174 20.647 1.881 1.00 0.00 C ATOM 474 NH1 ARG A 34 9.324 21.308 1.878 1.00 0.00 N ATOM 475 NH2 ARG A 34 7.425 20.633 2.976 1.00 0.00 N ATOM 0 H ARG A 34 6.747 16.940 -3.535 1.00 0.00 H new ATOM 0 HA ARG A 34 9.523 17.562 -4.211 1.00 0.00 H new ATOM 0 HB2 ARG A 34 9.809 19.192 -2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.376 19.693 -3.394 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.937 19.163 -1.643 1.00 0.00 H new ATOM 0 HG3 ARG A 34 8.012 17.950 -0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.577 19.733 -0.235 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.519 20.953 -0.917 1.00 0.00 H new ATOM 0 HE ARG A 34 6.883 19.504 0.826 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.902 21.322 1.038 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.630 21.803 2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.540 20.126 2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.734 21.129 3.812 1.00 0.00 H new ATOM 489 N ALA A 35 10.287 16.251 -2.131 1.00 0.00 N ATOM 490 CA ALA A 35 10.680 15.208 -1.192 1.00 0.00 C ATOM 491 C ALA A 35 10.729 15.744 0.235 1.00 0.00 C ATOM 492 O ALA A 35 10.398 16.902 0.485 1.00 0.00 O ATOM 493 CB ALA A 35 12.029 14.624 -1.585 1.00 0.00 C ATOM 0 H ALA A 35 11.063 16.798 -2.503 1.00 0.00 H new ATOM 0 HA ALA A 35 9.930 14.418 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.310 13.846 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.963 14.195 -2.585 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.783 15.412 -1.577 1.00 0.00 H new ATOM 499 N GLY A 36 11.144 14.893 1.169 1.00 0.00 N ATOM 500 CA GLY A 36 11.227 15.299 2.559 1.00 0.00 C ATOM 501 C GLY A 36 9.880 15.699 3.128 1.00 0.00 C ATOM 502 O GLY A 36 9.777 16.672 3.875 1.00 0.00 O ATOM 0 H GLY A 36 11.424 13.929 0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.639 14.480 3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.919 16.136 2.649 1.00 0.00 H new ATOM 506 N THR A 37 8.843 14.947 2.773 1.00 0.00 N ATOM 507 CA THR A 37 7.495 15.229 3.251 1.00 0.00 C ATOM 508 C THR A 37 6.818 13.964 3.766 1.00 0.00 C ATOM 509 O THR A 37 6.739 12.948 3.075 1.00 0.00 O ATOM 510 CB THR A 37 6.624 15.849 2.142 1.00 0.00 C ATOM 511 OG1 THR A 37 7.047 17.192 1.880 1.00 0.00 O ATOM 512 CG2 THR A 37 5.156 15.842 2.540 1.00 0.00 C ATOM 0 H THR A 37 8.911 14.138 2.156 1.00 0.00 H new ATOM 0 HA THR A 37 7.593 15.944 4.068 1.00 0.00 H new ATOM 0 HB THR A 37 6.742 15.249 1.239 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.303 17.808 2.048 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.560 16.285 1.742 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.830 14.816 2.710 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.024 16.421 3.454 1.00 0.00 H new ATOM 520 N PRO A 38 6.317 14.024 5.009 1.00 0.00 N ATOM 521 CA PRO A 38 5.636 12.892 5.643 1.00 0.00 C ATOM 522 C PRO A 38 4.282 12.598 5.006 1.00 0.00 C ATOM 523 O PRO A 38 3.613 13.500 4.504 1.00 0.00 O ATOM 524 CB PRO A 38 5.457 13.352 7.092 1.00 0.00 C ATOM 525 CG PRO A 38 5.451 14.840 7.018 1.00 0.00 C ATOM 526 CD PRO A 38 6.376 15.203 5.890 1.00 0.00 C ATOM 0 HA PRO A 38 6.204 11.967 5.542 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.527 12.973 7.516 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.267 12.990 7.725 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.445 15.217 6.834 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.790 15.279 7.957 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.048 16.106 5.376 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.390 15.389 6.245 1.00 0.00 H new ATOM 534 N VAL A 39 3.885 11.330 5.031 1.00 0.00 N ATOM 535 CA VAL A 39 2.609 10.917 4.456 1.00 0.00 C ATOM 536 C VAL A 39 1.709 10.287 5.513 1.00 0.00 C ATOM 537 O VAL A 39 2.163 9.939 6.604 1.00 0.00 O ATOM 538 CB VAL A 39 2.811 9.915 3.305 1.00 0.00 C ATOM 539 CG1 VAL A 39 3.168 8.540 3.849 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.564 9.846 2.435 1.00 0.00 C ATOM 0 H VAL A 39 4.428 10.571 5.443 1.00 0.00 H new ATOM 0 HA VAL A 39 2.131 11.815 4.065 1.00 0.00 H new ATOM 0 HB VAL A 39 3.640 10.260 2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.307 7.846 3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.090 8.605 4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.363 8.182 4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.724 9.133 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.716 9.525 3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.358 10.831 2.015 1.00 0.00 H new ATOM 550 N HIS A 40 0.430 10.142 5.182 1.00 0.00 N ATOM 551 CA HIS A 40 -0.535 9.552 6.103 1.00 0.00 C ATOM 552 C HIS A 40 -1.399 8.514 5.393 1.00 0.00 C ATOM 553 O HIS A 40 -2.144 8.840 4.468 1.00 0.00 O ATOM 554 CB HIS A 40 -1.421 10.639 6.713 1.00 0.00 C ATOM 555 CG HIS A 40 -1.913 10.309 8.088 1.00 0.00 C ATOM 556 ND1 HIS A 40 -2.565 11.220 8.893 1.00 0.00 N ATOM 557 CD2 HIS A 40 -1.847 9.159 8.800 1.00 0.00 C ATOM 558 CE1 HIS A 40 -2.876 10.645 10.041 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.453 9.395 10.010 1.00 0.00 N ATOM 0 H HIS A 40 0.038 10.425 4.284 1.00 0.00 H new ATOM 0 HA HIS A 40 0.018 9.055 6.900 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.861 11.574 6.751 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.278 10.807 6.060 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.401 8.230 8.477 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.389 11.118 10.865 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.559 8.715 10.763 1.00 0.00 H new ATOM 568 N TRP A 41 -1.293 7.264 5.830 1.00 0.00 N ATOM 569 CA TRP A 41 -2.065 6.179 5.235 1.00 0.00 C ATOM 570 C TRP A 41 -3.299 5.865 6.073 1.00 0.00 C ATOM 571 O TRP A 41 -3.189 5.414 7.214 1.00 0.00 O ATOM 572 CB TRP A 41 -1.197 4.927 5.094 1.00 0.00 C ATOM 573 CG TRP A 41 -0.043 5.107 4.155 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.203 5.572 4.467 1.00 0.00 C ATOM 575 CD2 TRP A 41 -0.029 4.826 2.751 1.00 0.00 C ATOM 576 NE1 TRP A 41 1.990 5.597 3.341 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.258 5.144 2.276 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.978 4.336 1.850 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.618 4.988 0.940 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.620 4.182 0.524 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.669 4.506 0.079 1.00 0.00 C ATOM 0 H TRP A 41 -0.681 6.977 6.594 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.393 6.499 4.246 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.817 4.645 6.076 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.817 4.102 4.743 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.522 5.875 5.453 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.962 5.903 3.304 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.973 4.082 2.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.610 5.238 0.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.346 3.806 -0.181 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.918 4.373 -0.963 1.00 0.00 H new ATOM 592 N LEU A 42 -4.474 6.106 5.501 1.00 0.00 N ATOM 593 CA LEU A 42 -5.730 5.849 6.197 1.00 0.00 C ATOM 594 C LEU A 42 -6.518 4.741 5.505 1.00 0.00 C ATOM 595 O LEU A 42 -6.891 4.865 4.338 1.00 0.00 O ATOM 596 CB LEU A 42 -6.571 7.125 6.261 1.00 0.00 C ATOM 597 CG LEU A 42 -5.906 8.335 6.918 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.431 9.627 6.312 1.00 0.00 C ATOM 599 CD2 LEU A 42 -6.135 8.318 8.422 1.00 0.00 C ATOM 0 H LEU A 42 -4.583 6.479 4.558 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.496 5.525 7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.856 7.399 5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.491 6.903 6.802 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.833 8.281 6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.946 10.477 6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.215 9.642 5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.508 9.689 6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.655 9.186 8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.205 8.348 8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.709 7.408 8.845 1.00 0.00 H new ATOM 611 N LYS A 43 -6.771 3.659 6.233 1.00 0.00 N ATOM 612 CA LYS A 43 -7.518 2.530 5.692 1.00 0.00 C ATOM 613 C LYS A 43 -8.911 2.452 6.310 1.00 0.00 C ATOM 614 O LYS A 43 -9.072 2.004 7.445 1.00 0.00 O ATOM 615 CB LYS A 43 -6.763 1.223 5.946 1.00 0.00 C ATOM 616 CG LYS A 43 -7.555 -0.019 5.577 1.00 0.00 C ATOM 617 CD LYS A 43 -7.126 -1.220 6.404 1.00 0.00 C ATOM 618 CE LYS A 43 -7.378 -2.524 5.664 1.00 0.00 C ATOM 619 NZ LYS A 43 -7.653 -3.649 6.601 1.00 0.00 N ATOM 0 H LYS A 43 -6.469 3.540 7.200 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.624 2.679 4.617 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.834 1.234 5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.490 1.170 7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.618 0.168 5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.418 -0.238 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.067 -1.137 6.646 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.670 -1.226 7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.223 -2.400 4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.511 -2.767 5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.820 -4.520 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.836 -3.784 7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.496 -3.429 7.170 1.00 0.00 H new ATOM 633 N ASP A 44 -9.913 2.891 5.557 1.00 0.00 N ATOM 634 CA ASP A 44 -11.292 2.868 6.030 1.00 0.00 C ATOM 635 C ASP A 44 -11.463 3.768 7.250 1.00 0.00 C ATOM 636 O ASP A 44 -11.959 3.333 8.289 1.00 0.00 O ATOM 637 CB ASP A 44 -11.713 1.438 6.372 1.00 0.00 C ATOM 638 CG ASP A 44 -11.594 0.500 5.187 1.00 0.00 C ATOM 639 OD1 ASP A 44 -12.381 0.651 4.229 1.00 0.00 O ATOM 640 OD2 ASP A 44 -10.714 -0.384 5.218 1.00 0.00 O ATOM 0 H ASP A 44 -9.796 3.267 4.616 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.931 3.245 5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.095 1.066 7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.743 1.441 6.727 1.00 0.00 H new ATOM 645 N ARG A 45 -11.047 5.023 7.116 1.00 0.00 N ATOM 646 CA ARG A 45 -11.152 5.984 8.208 1.00 0.00 C ATOM 647 C ARG A 45 -10.441 5.468 9.455 1.00 0.00 C ATOM 648 O ARG A 45 -10.976 5.536 10.562 1.00 0.00 O ATOM 649 CB ARG A 45 -12.621 6.268 8.526 1.00 0.00 C ATOM 650 CG ARG A 45 -13.436 6.690 7.315 1.00 0.00 C ATOM 651 CD ARG A 45 -13.415 8.198 7.126 1.00 0.00 C ATOM 652 NE ARG A 45 -13.650 8.580 5.736 1.00 0.00 N ATOM 653 CZ ARG A 45 -14.842 8.533 5.153 1.00 0.00 C ATOM 654 NH1 ARG A 45 -15.902 8.123 5.836 1.00 0.00 N ATOM 655 NH2 ARG A 45 -14.976 8.896 3.884 1.00 0.00 N ATOM 0 H ARG A 45 -10.634 5.398 6.262 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.670 6.910 7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.069 5.375 8.961 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.675 7.052 9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.041 6.205 6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.465 6.351 7.432 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -14.176 8.653 7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.452 8.591 7.452 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.855 8.900 5.183 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.803 7.843 6.812 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.817 8.088 5.386 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.163 9.212 3.355 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.892 8.859 3.437 1.00 0.00 H new ATOM 669 N LYS A 46 -9.231 4.952 9.269 1.00 0.00 N ATOM 670 CA LYS A 46 -8.444 4.425 10.378 1.00 0.00 C ATOM 671 C LYS A 46 -6.953 4.642 10.140 1.00 0.00 C ATOM 672 O LYS A 46 -6.386 4.119 9.181 1.00 0.00 O ATOM 673 CB LYS A 46 -8.729 2.933 10.568 1.00 0.00 C ATOM 674 CG LYS A 46 -10.052 2.650 11.258 1.00 0.00 C ATOM 675 CD LYS A 46 -9.976 2.935 12.749 1.00 0.00 C ATOM 676 CE LYS A 46 -9.308 1.794 13.502 1.00 0.00 C ATOM 677 NZ LYS A 46 -10.291 0.758 13.923 1.00 0.00 N ATOM 0 H LYS A 46 -8.773 4.887 8.360 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.731 4.962 11.282 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.725 2.444 9.594 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.922 2.489 11.151 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.835 3.261 10.809 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.330 1.608 11.100 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.420 3.857 12.916 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.980 3.093 13.142 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.547 1.337 12.869 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.797 2.188 14.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.797 -0.002 14.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.003 1.188 14.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.761 0.363 13.083 1.00 0.00 H new ATOM 691 N ALA A 47 -6.325 5.416 11.018 1.00 0.00 N ATOM 692 CA ALA A 47 -4.900 5.700 10.905 1.00 0.00 C ATOM 693 C ALA A 47 -4.077 4.417 10.979 1.00 0.00 C ATOM 694 O ALA A 47 -4.249 3.611 11.893 1.00 0.00 O ATOM 695 CB ALA A 47 -4.466 6.670 11.994 1.00 0.00 C ATOM 0 H ALA A 47 -6.781 5.858 11.816 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.723 6.160 9.933 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.399 6.873 11.897 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.023 7.602 11.894 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.664 6.232 12.972 1.00 0.00 H new ATOM 701 N ILE A 48 -3.186 4.236 10.010 1.00 0.00 N ATOM 702 CA ILE A 48 -2.337 3.051 9.967 1.00 0.00 C ATOM 703 C ILE A 48 -1.002 3.306 10.658 1.00 0.00 C ATOM 704 O ILE A 48 -0.452 4.405 10.583 1.00 0.00 O ATOM 705 CB ILE A 48 -2.075 2.600 8.518 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.393 2.481 7.751 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.326 1.276 8.503 1.00 0.00 C ATOM 708 CD1 ILE A 48 -3.213 2.153 6.285 1.00 0.00 C ATOM 0 H ILE A 48 -3.033 4.893 9.245 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.871 2.260 10.494 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.457 3.351 8.026 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.005 1.708 8.215 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.942 3.419 7.840 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.148 0.970 7.472 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.372 1.392 9.017 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.921 0.516 9.009 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.189 2.084 5.805 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.628 2.938 5.806 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.692 1.200 6.187 1.00 0.00 H new ATOM 720 N ARG A 49 -0.484 2.282 11.328 1.00 0.00 N ATOM 721 CA ARG A 49 0.787 2.394 12.032 1.00 0.00 C ATOM 722 C ARG A 49 1.808 1.407 11.473 1.00 0.00 C ATOM 723 O ARG A 49 1.623 0.193 11.554 1.00 0.00 O ATOM 724 CB ARG A 49 0.590 2.146 13.529 1.00 0.00 C ATOM 725 CG ARG A 49 -0.428 3.074 14.171 1.00 0.00 C ATOM 726 CD ARG A 49 -0.312 3.064 15.687 1.00 0.00 C ATOM 727 NE ARG A 49 -0.671 1.767 16.255 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.371 1.401 17.497 1.00 0.00 C ATOM 729 NH1 ARG A 49 0.287 2.229 18.295 1.00 0.00 N ATOM 730 NH2 ARG A 49 -0.732 0.204 17.941 1.00 0.00 N ATOM 0 H ARG A 49 -0.925 1.365 11.398 1.00 0.00 H new ATOM 0 HA ARG A 49 1.166 3.405 11.885 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.274 1.114 13.679 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.547 2.263 14.037 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.282 4.089 13.800 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.433 2.770 13.880 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.709 3.315 15.974 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.960 3.835 16.105 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.179 1.107 15.667 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.565 3.150 17.957 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.516 1.945 19.248 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.240 -0.435 17.329 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.502 -0.077 18.894 1.00 0.00 H new ATOM 744 N LYS A 50 2.885 1.937 10.903 1.00 0.00 N ATOM 745 CA LYS A 50 3.936 1.105 10.330 1.00 0.00 C ATOM 746 C LYS A 50 4.185 -0.128 11.193 1.00 0.00 C ATOM 747 O LYS A 50 4.217 -0.042 12.420 1.00 0.00 O ATOM 748 CB LYS A 50 5.230 1.909 10.185 1.00 0.00 C ATOM 749 CG LYS A 50 6.386 1.103 9.619 1.00 0.00 C ATOM 750 CD LYS A 50 7.715 1.807 9.836 1.00 0.00 C ATOM 751 CE LYS A 50 8.010 2.797 8.720 1.00 0.00 C ATOM 752 NZ LYS A 50 9.468 3.073 8.594 1.00 0.00 N ATOM 0 H LYS A 50 3.053 2.940 10.826 1.00 0.00 H new ATOM 0 HA LYS A 50 3.608 0.777 9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.045 2.766 9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.515 2.302 11.161 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.412 0.121 10.091 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.229 0.940 8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.699 2.329 10.793 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.515 1.068 9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.632 2.404 7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.479 3.729 8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.627 3.752 7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.824 3.472 9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.972 2.188 8.385 1.00 0.00 H new ATOM 766 N SER A 51 4.361 -1.274 10.543 1.00 0.00 N ATOM 767 CA SER A 51 4.605 -2.525 11.251 1.00 0.00 C ATOM 768 C SER A 51 5.016 -3.628 10.281 1.00 0.00 C ATOM 769 O SER A 51 4.862 -3.490 9.067 1.00 0.00 O ATOM 770 CB SER A 51 3.356 -2.950 12.025 1.00 0.00 C ATOM 771 OG SER A 51 2.356 -3.441 11.149 1.00 0.00 O ATOM 0 H SER A 51 4.339 -1.362 9.527 1.00 0.00 H new ATOM 0 HA SER A 51 5.421 -2.362 11.954 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.618 -3.720 12.751 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.967 -2.101 12.587 1.00 0.00 H new ATOM 0 HG SER A 51 1.569 -3.708 11.668 1.00 0.00 H new ATOM 777 N GLN A 52 5.539 -4.722 10.825 1.00 0.00 N ATOM 778 CA GLN A 52 5.972 -5.849 10.007 1.00 0.00 C ATOM 779 C GLN A 52 5.061 -6.026 8.798 1.00 0.00 C ATOM 780 O GLN A 52 5.522 -6.337 7.699 1.00 0.00 O ATOM 781 CB GLN A 52 5.991 -7.133 10.839 1.00 0.00 C ATOM 782 CG GLN A 52 6.843 -8.237 10.235 1.00 0.00 C ATOM 783 CD GLN A 52 8.325 -8.034 10.485 1.00 0.00 C ATOM 784 OE1 GLN A 52 8.972 -7.221 9.824 1.00 0.00 O ATOM 785 NE2 GLN A 52 8.870 -8.773 11.444 1.00 0.00 N ATOM 0 H GLN A 52 5.673 -4.852 11.828 1.00 0.00 H new ATOM 0 HA GLN A 52 6.981 -5.640 9.651 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.363 -6.903 11.837 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.970 -7.496 10.955 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.536 -9.196 10.652 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.663 -8.283 9.161 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.296 -9.434 11.967 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.863 -8.679 11.658 1.00 0.00 H new ATOM 794 N LYS A 53 3.764 -5.827 9.006 1.00 0.00 N ATOM 795 CA LYS A 53 2.786 -5.964 7.933 1.00 0.00 C ATOM 796 C LYS A 53 2.896 -4.807 6.946 1.00 0.00 C ATOM 797 O LYS A 53 3.301 -4.994 5.798 1.00 0.00 O ATOM 798 CB LYS A 53 1.370 -6.023 8.510 1.00 0.00 C ATOM 799 CG LYS A 53 0.284 -5.736 7.488 1.00 0.00 C ATOM 800 CD LYS A 53 0.159 -6.864 6.477 1.00 0.00 C ATOM 801 CE LYS A 53 -0.811 -7.934 6.953 1.00 0.00 C ATOM 802 NZ LYS A 53 -2.228 -7.486 6.848 1.00 0.00 N ATOM 0 H LYS A 53 3.365 -5.570 9.909 1.00 0.00 H new ATOM 0 HA LYS A 53 2.994 -6.893 7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.202 -7.011 8.938 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.289 -5.304 9.325 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.669 -5.596 7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.508 -4.804 6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.181 -6.462 5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.139 -7.310 6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.672 -8.839 6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.588 -8.192 7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.859 -8.261 7.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.380 -6.668 7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.435 -7.216 5.865 1.00 0.00 H new ATOM 816 N TYR A 54 2.535 -3.612 7.399 1.00 0.00 N ATOM 817 CA TYR A 54 2.593 -2.424 6.555 1.00 0.00 C ATOM 818 C TYR A 54 3.968 -1.767 6.632 1.00 0.00 C ATOM 819 O TYR A 54 4.410 -1.353 7.704 1.00 0.00 O ATOM 820 CB TYR A 54 1.513 -1.424 6.971 1.00 0.00 C ATOM 821 CG TYR A 54 0.122 -2.016 7.009 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.490 -2.478 5.850 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.580 -2.114 8.204 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.761 -3.019 5.880 1.00 0.00 C ATOM 825 CE2 TYR A 54 -1.851 -2.654 8.244 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.437 -3.105 7.079 1.00 0.00 C ATOM 827 OH TYR A 54 -3.702 -3.644 7.114 1.00 0.00 O ATOM 0 H TYR A 54 2.199 -3.440 8.346 1.00 0.00 H new ATOM 0 HA TYR A 54 2.415 -2.732 5.525 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.757 -1.027 7.957 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.522 -0.583 6.278 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.037 -2.413 4.910 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.124 -1.762 9.118 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.222 -3.372 4.970 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.383 -2.723 9.182 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.037 -3.632 8.035 1.00 0.00 H new ATOM 837 N ASP A 55 4.637 -1.675 5.489 1.00 0.00 N ATOM 838 CA ASP A 55 5.961 -1.067 5.425 1.00 0.00 C ATOM 839 C ASP A 55 5.912 0.266 4.685 1.00 0.00 C ATOM 840 O ASP A 55 5.720 0.307 3.469 1.00 0.00 O ATOM 841 CB ASP A 55 6.947 -2.011 4.735 1.00 0.00 C ATOM 842 CG ASP A 55 7.125 -3.314 5.489 1.00 0.00 C ATOM 843 OD1 ASP A 55 7.536 -3.266 6.667 1.00 0.00 O ATOM 844 OD2 ASP A 55 6.853 -4.381 4.901 1.00 0.00 O ATOM 0 H ASP A 55 4.285 -2.014 4.594 1.00 0.00 H new ATOM 0 HA ASP A 55 6.299 -0.884 6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.596 -2.224 3.725 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.913 -1.515 4.639 1.00 0.00 H new ATOM 849 N VAL A 56 6.085 1.356 5.426 1.00 0.00 N ATOM 850 CA VAL A 56 6.060 2.691 4.841 1.00 0.00 C ATOM 851 C VAL A 56 7.430 3.078 4.296 1.00 0.00 C ATOM 852 O VAL A 56 8.316 3.486 5.046 1.00 0.00 O ATOM 853 CB VAL A 56 5.612 3.746 5.870 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.400 5.093 5.195 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.347 3.293 6.582 1.00 0.00 C ATOM 0 H VAL A 56 6.244 1.340 6.433 1.00 0.00 H new ATOM 0 HA VAL A 56 5.341 2.665 4.022 1.00 0.00 H new ATOM 0 HB VAL A 56 6.400 3.859 6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.084 5.826 5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.333 5.421 4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.631 4.999 4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.045 4.051 7.305 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.550 3.150 5.852 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.538 2.353 7.100 1.00 0.00 H new ATOM 865 N VAL A 57 7.597 2.947 2.983 1.00 0.00 N ATOM 866 CA VAL A 57 8.859 3.284 2.336 1.00 0.00 C ATOM 867 C VAL A 57 8.839 4.713 1.805 1.00 0.00 C ATOM 868 O VAL A 57 7.928 5.102 1.074 1.00 0.00 O ATOM 869 CB VAL A 57 9.169 2.321 1.175 1.00 0.00 C ATOM 870 CG1 VAL A 57 10.511 2.659 0.545 1.00 0.00 C ATOM 871 CG2 VAL A 57 9.145 0.879 1.658 1.00 0.00 C ATOM 0 H VAL A 57 6.874 2.610 2.347 1.00 0.00 H new ATOM 0 HA VAL A 57 9.638 3.191 3.093 1.00 0.00 H new ATOM 0 HB VAL A 57 8.398 2.437 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.713 1.968 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.486 3.679 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.297 2.573 1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.366 0.212 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.894 0.744 2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.158 0.645 2.057 1.00 0.00 H new ATOM 881 N CYS A 58 9.850 5.490 2.177 1.00 0.00 N ATOM 882 CA CYS A 58 9.950 6.878 1.738 1.00 0.00 C ATOM 883 C CYS A 58 11.305 7.148 1.092 1.00 0.00 C ATOM 884 O CYS A 58 12.278 7.462 1.776 1.00 0.00 O ATOM 885 CB CYS A 58 9.738 7.825 2.921 1.00 0.00 C ATOM 886 SG CYS A 58 9.923 9.575 2.507 1.00 0.00 S ATOM 0 H CYS A 58 10.612 5.183 2.781 1.00 0.00 H new ATOM 0 HA CYS A 58 9.172 7.055 0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.740 7.662 3.329 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.449 7.572 3.708 1.00 0.00 H new ATOM 0 HG CYS A 58 9.723 10.296 3.570 1.00 0.00 H new ATOM 892 N GLU A 59 11.359 7.021 -0.230 1.00 0.00 N ATOM 893 CA GLU A 59 12.596 7.249 -0.969 1.00 0.00 C ATOM 894 C GLU A 59 12.592 8.626 -1.625 1.00 0.00 C ATOM 895 O GLU A 59 12.900 8.764 -2.808 1.00 0.00 O ATOM 896 CB GLU A 59 12.788 6.166 -2.033 1.00 0.00 C ATOM 897 CG GLU A 59 13.205 4.820 -1.463 1.00 0.00 C ATOM 898 CD GLU A 59 13.698 3.863 -2.530 1.00 0.00 C ATOM 899 OE1 GLU A 59 12.857 3.325 -3.281 1.00 0.00 O ATOM 900 OE2 GLU A 59 14.926 3.652 -2.615 1.00 0.00 O ATOM 0 H GLU A 59 10.562 6.762 -0.811 1.00 0.00 H new ATOM 0 HA GLU A 59 13.424 7.205 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.857 6.044 -2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.542 6.499 -2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 59 13.992 4.971 -0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.359 4.372 -0.942 1.00 0.00 H new ATOM 907 N GLY A 60 12.239 9.645 -0.846 1.00 0.00 N ATOM 908 CA GLY A 60 12.200 10.999 -1.368 1.00 0.00 C ATOM 909 C GLY A 60 10.836 11.371 -1.915 1.00 0.00 C ATOM 910 O GLY A 60 9.867 11.485 -1.163 1.00 0.00 O ATOM 0 H GLY A 60 11.980 9.557 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.474 11.698 -0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.945 11.102 -2.157 1.00 0.00 H new ATOM 914 N THR A 61 10.759 11.561 -3.228 1.00 0.00 N ATOM 915 CA THR A 61 9.505 11.925 -3.875 1.00 0.00 C ATOM 916 C THR A 61 8.720 10.686 -4.290 1.00 0.00 C ATOM 917 O THR A 61 8.092 10.663 -5.348 1.00 0.00 O ATOM 918 CB THR A 61 9.747 12.805 -5.116 1.00 0.00 C ATOM 919 OG1 THR A 61 10.803 12.252 -5.910 1.00 0.00 O ATOM 920 CG2 THR A 61 10.102 14.227 -4.710 1.00 0.00 C ATOM 0 H THR A 61 11.551 11.469 -3.864 1.00 0.00 H new ATOM 0 HA THR A 61 8.926 12.491 -3.145 1.00 0.00 H new ATOM 0 HB THR A 61 8.828 12.830 -5.701 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.950 12.816 -6.698 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.268 14.830 -5.603 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.284 14.655 -4.131 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.009 14.217 -4.105 1.00 0.00 H new ATOM 928 N MET A 62 8.761 9.657 -3.450 1.00 0.00 N ATOM 929 CA MET A 62 8.051 8.414 -3.730 1.00 0.00 C ATOM 930 C MET A 62 7.693 7.689 -2.437 1.00 0.00 C ATOM 931 O MET A 62 8.572 7.321 -1.658 1.00 0.00 O ATOM 932 CB MET A 62 8.902 7.505 -4.620 1.00 0.00 C ATOM 933 CG MET A 62 8.261 6.155 -4.899 1.00 0.00 C ATOM 934 SD MET A 62 9.477 4.848 -5.152 1.00 0.00 S ATOM 935 CE MET A 62 9.626 4.197 -3.490 1.00 0.00 C ATOM 0 H MET A 62 9.278 9.659 -2.571 1.00 0.00 H new ATOM 0 HA MET A 62 7.128 8.662 -4.254 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.091 8.011 -5.567 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.870 7.347 -4.144 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.612 5.886 -4.065 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.628 6.233 -5.783 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.397 3.427 -3.469 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.898 5.002 -2.807 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.674 3.766 -3.181 1.00 0.00 H new ATOM 945 N ALA A 63 6.399 7.487 -2.215 1.00 0.00 N ATOM 946 CA ALA A 63 5.926 6.804 -1.017 1.00 0.00 C ATOM 947 C ALA A 63 5.259 5.478 -1.367 1.00 0.00 C ATOM 948 O ALA A 63 4.237 5.449 -2.051 1.00 0.00 O ATOM 949 CB ALA A 63 4.962 7.695 -0.248 1.00 0.00 C ATOM 0 H ALA A 63 5.659 7.787 -2.849 1.00 0.00 H new ATOM 0 HA ALA A 63 6.789 6.591 -0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.617 7.173 0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.470 8.614 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.108 7.937 -0.880 1.00 0.00 H new ATOM 955 N MET A 64 5.846 4.383 -0.895 1.00 0.00 N ATOM 956 CA MET A 64 5.308 3.054 -1.159 1.00 0.00 C ATOM 957 C MET A 64 4.853 2.385 0.134 1.00 0.00 C ATOM 958 O MET A 64 5.447 2.590 1.193 1.00 0.00 O ATOM 959 CB MET A 64 6.357 2.184 -1.855 1.00 0.00 C ATOM 960 CG MET A 64 5.805 0.868 -2.378 1.00 0.00 C ATOM 961 SD MET A 64 7.035 -0.089 -3.285 1.00 0.00 S ATOM 962 CE MET A 64 8.218 -0.438 -1.986 1.00 0.00 C ATOM 0 H MET A 64 6.694 4.390 -0.328 1.00 0.00 H new ATOM 0 HA MET A 64 4.444 3.163 -1.815 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.788 2.743 -2.685 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.167 1.977 -1.156 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.434 0.276 -1.541 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.954 1.068 -3.029 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.879 -1.244 -2.303 1.00 0.00 H new ATOM 0 HE2 MET A 64 8.807 0.456 -1.781 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.688 -0.738 -1.082 1.00 0.00 H new ATOM 972 N LEU A 65 3.795 1.586 0.041 1.00 0.00 N ATOM 973 CA LEU A 65 3.260 0.887 1.205 1.00 0.00 C ATOM 974 C LEU A 65 3.097 -0.602 0.917 1.00 0.00 C ATOM 975 O LEU A 65 2.163 -1.013 0.230 1.00 0.00 O ATOM 976 CB LEU A 65 1.915 1.490 1.612 1.00 0.00 C ATOM 977 CG LEU A 65 1.175 0.777 2.744 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.806 1.111 4.087 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.300 1.153 2.737 1.00 0.00 C ATOM 0 H LEU A 65 3.291 1.406 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 65 3.967 1.004 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.079 2.526 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.267 1.507 0.736 1.00 0.00 H new ATOM 0 HG LEU A 65 1.256 -0.298 2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.266 0.595 4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.848 0.791 4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.756 2.187 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.811 0.636 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.402 2.230 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.745 0.862 1.785 1.00 0.00 H new ATOM 991 N VAL A 66 4.011 -1.406 1.451 1.00 0.00 N ATOM 992 CA VAL A 66 3.967 -2.850 1.255 1.00 0.00 C ATOM 993 C VAL A 66 2.979 -3.504 2.215 1.00 0.00 C ATOM 994 O VAL A 66 2.966 -3.204 3.408 1.00 0.00 O ATOM 995 CB VAL A 66 5.356 -3.486 1.453 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.383 -4.897 0.886 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.432 -2.624 0.810 1.00 0.00 C ATOM 0 H VAL A 66 4.791 -1.082 2.023 1.00 0.00 H new ATOM 0 HA VAL A 66 3.641 -3.021 0.229 1.00 0.00 H new ATOM 0 HB VAL A 66 5.560 -3.546 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.372 -5.330 1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.639 -5.508 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.158 -4.865 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.407 -3.088 0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.234 -2.531 -0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.427 -1.635 1.267 1.00 0.00 H new ATOM 1007 N ILE A 67 2.154 -4.401 1.685 1.00 0.00 N ATOM 1008 CA ILE A 67 1.164 -5.100 2.494 1.00 0.00 C ATOM 1009 C ILE A 67 1.410 -6.605 2.486 1.00 0.00 C ATOM 1010 O ILE A 67 0.707 -7.355 1.809 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.267 -4.822 1.998 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.562 -3.321 2.039 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.277 -5.589 2.837 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.561 -2.873 0.996 1.00 0.00 C ATOM 0 H ILE A 67 2.152 -4.661 0.699 1.00 0.00 H new ATOM 0 HA ILE A 67 1.266 -4.723 3.512 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.350 -5.161 0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.939 -3.060 3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.369 -2.772 1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.284 -5.382 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.076 -6.658 2.761 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.196 -5.278 3.879 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.722 -1.798 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.177 -3.102 0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.506 -3.395 1.149 1.00 0.00 H new ATOM 1026 N ARG A 68 2.411 -7.040 3.244 1.00 0.00 N ATOM 1027 CA ARG A 68 2.749 -8.456 3.324 1.00 0.00 C ATOM 1028 C ARG A 68 1.493 -9.306 3.488 1.00 0.00 C ATOM 1029 O ARG A 68 0.571 -8.936 4.213 1.00 0.00 O ATOM 1030 CB ARG A 68 3.705 -8.708 4.492 1.00 0.00 C ATOM 1031 CG ARG A 68 5.108 -8.174 4.257 1.00 0.00 C ATOM 1032 CD ARG A 68 5.899 -9.078 3.324 1.00 0.00 C ATOM 1033 NE ARG A 68 6.131 -10.397 3.907 1.00 0.00 N ATOM 1034 CZ ARG A 68 6.984 -11.283 3.405 1.00 0.00 C ATOM 1035 NH1 ARG A 68 7.681 -10.993 2.315 1.00 0.00 N ATOM 1036 NH2 ARG A 68 7.140 -12.463 3.992 1.00 0.00 N ATOM 0 H ARG A 68 3.002 -6.432 3.811 1.00 0.00 H new ATOM 0 HA ARG A 68 3.240 -8.740 2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.296 -8.247 5.391 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.760 -9.780 4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.051 -7.172 3.832 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.630 -8.087 5.210 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.361 -9.187 2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.856 -8.611 3.092 1.00 0.00 H new ATOM 0 HE ARG A 68 5.609 -10.652 4.746 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.563 -10.088 1.860 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.335 -11.675 1.932 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.605 -12.691 4.830 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.795 -13.142 3.605 1.00 0.00 H new ATOM 1050 N GLY A 69 1.465 -10.449 2.809 1.00 0.00 N ATOM 1051 CA GLY A 69 0.318 -11.333 2.892 1.00 0.00 C ATOM 1052 C GLY A 69 -0.994 -10.577 2.956 1.00 0.00 C ATOM 1053 O GLY A 69 -1.590 -10.444 4.024 1.00 0.00 O ATOM 0 H GLY A 69 2.217 -10.778 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.310 -11.995 2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.413 -11.965 3.775 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.445 -10.079 1.809 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.695 -9.332 1.739 1.00 0.00 C ATOM 1059 C ALA A 70 -3.896 -10.272 1.736 1.00 0.00 C ATOM 1060 O ALA A 70 -4.240 -10.851 0.706 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.711 -8.446 0.502 1.00 0.00 C ATOM 0 H ALA A 70 -0.963 -10.179 0.916 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.764 -8.701 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.650 -7.894 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.879 -7.744 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.616 -9.065 -0.390 1.00 0.00 H new ATOM 1067 N SER A 71 -4.530 -10.418 2.895 1.00 0.00 N ATOM 1068 CA SER A 71 -5.691 -11.291 3.026 1.00 0.00 C ATOM 1069 C SER A 71 -6.954 -10.593 2.530 1.00 0.00 C ATOM 1070 O SER A 71 -7.006 -9.366 2.443 1.00 0.00 O ATOM 1071 CB SER A 71 -5.870 -11.719 4.484 1.00 0.00 C ATOM 1072 OG SER A 71 -4.919 -12.705 4.846 1.00 0.00 O ATOM 0 H SER A 71 -4.260 -9.943 3.756 1.00 0.00 H new ATOM 0 HA SER A 71 -5.522 -12.176 2.413 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.766 -10.852 5.136 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.877 -12.109 4.631 1.00 0.00 H new ATOM 0 HG SER A 71 -5.053 -12.961 5.783 1.00 0.00 H new ATOM 1078 N LEU A 72 -7.970 -11.385 2.205 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.234 -10.846 1.717 1.00 0.00 C ATOM 1080 C LEU A 72 -9.622 -9.586 2.485 1.00 0.00 C ATOM 1081 O LEU A 72 -10.200 -8.656 1.923 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.341 -11.894 1.843 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.085 -13.228 1.141 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -11.092 -14.273 1.596 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.139 -13.055 -0.370 1.00 0.00 C ATOM 0 H LEU A 72 -7.943 -12.403 2.271 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.107 -10.585 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.509 -12.090 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.263 -11.469 1.447 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.087 -13.573 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.894 -15.216 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.005 -14.418 2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.100 -13.935 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.955 -14.015 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.123 -12.687 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.378 -12.340 -0.682 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.298 -9.562 3.774 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.608 -8.416 4.620 1.00 0.00 C ATOM 1099 C LYS A 73 -8.804 -7.192 4.195 1.00 0.00 C ATOM 1100 O LYS A 73 -9.347 -6.095 4.063 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.319 -8.746 6.086 1.00 0.00 C ATOM 1102 CG LYS A 73 -9.923 -7.751 7.064 1.00 0.00 C ATOM 1103 CD LYS A 73 -11.401 -8.019 7.290 1.00 0.00 C ATOM 1104 CE LYS A 73 -11.840 -7.583 8.680 1.00 0.00 C ATOM 1105 NZ LYS A 73 -13.290 -7.832 8.907 1.00 0.00 N ATOM 0 H LYS A 73 -8.820 -10.324 4.255 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.668 -8.189 4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.704 -9.741 6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.240 -8.781 6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.393 -7.806 8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.790 -6.738 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.987 -7.489 6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.603 -9.082 7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.258 -8.119 9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.629 -6.522 8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.550 -7.522 9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.847 -7.301 8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.488 -8.848 8.807 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.507 -7.388 3.980 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.628 -6.300 3.567 1.00 0.00 C ATOM 1121 C ASP A 74 -7.328 -5.386 2.566 1.00 0.00 C ATOM 1122 O ASP A 74 -7.128 -4.172 2.575 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.343 -6.859 2.955 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.407 -7.435 3.999 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -4.863 -8.268 4.810 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.218 -7.054 4.003 1.00 0.00 O ATOM 0 H ASP A 74 -7.042 -8.290 4.085 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.375 -5.714 4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.596 -7.634 2.231 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.830 -6.067 2.409 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.148 -5.978 1.704 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.878 -5.218 0.698 1.00 0.00 C ATOM 1133 C ALA A 75 -9.630 -4.051 1.330 1.00 0.00 C ATOM 1134 O ALA A 75 -10.442 -4.241 2.234 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.841 -6.125 -0.053 1.00 0.00 C ATOM 0 H ALA A 75 -8.323 -6.983 1.683 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.155 -4.810 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.380 -5.544 -0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.282 -6.921 -0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.552 -6.561 0.649 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.352 -2.843 0.848 1.00 0.00 N ATOM 1142 CA GLY A 76 -10.011 -1.664 1.378 1.00 0.00 C ATOM 1143 C GLY A 76 -9.601 -0.397 0.655 1.00 0.00 C ATOM 1144 O GLY A 76 -8.981 -0.453 -0.406 1.00 0.00 O ATOM 0 H GLY A 76 -8.683 -2.660 0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.091 -1.790 1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.777 -1.566 2.438 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.950 0.750 1.230 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.615 2.037 0.631 1.00 0.00 C ATOM 1150 C GLU A 77 -8.461 2.701 1.376 1.00 0.00 C ATOM 1151 O GLU A 77 -8.477 2.805 2.602 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.837 2.959 0.635 1.00 0.00 C ATOM 1153 CG GLU A 77 -10.546 4.355 0.111 1.00 0.00 C ATOM 1154 CD GLU A 77 -11.519 5.391 0.641 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -12.740 5.133 0.603 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -11.058 6.460 1.094 1.00 0.00 O ATOM 0 H GLU A 77 -10.464 0.814 2.109 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.305 1.860 -0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.623 2.509 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.222 3.034 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.531 4.639 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.588 4.346 -0.978 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.460 3.147 0.626 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.295 3.798 1.214 1.00 0.00 C ATOM 1165 C TYR A 78 -6.252 5.277 0.842 1.00 0.00 C ATOM 1166 O TYR A 78 -5.976 5.635 -0.304 1.00 0.00 O ATOM 1167 CB TYR A 78 -5.011 3.107 0.752 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.873 1.688 1.255 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.432 1.427 2.546 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -5.183 0.607 0.438 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -4.304 0.132 3.010 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.059 -0.691 0.893 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.619 -0.924 2.180 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.493 -2.216 2.636 1.00 0.00 O ATOM 0 H TYR A 78 -7.432 3.070 -0.391 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.374 3.717 2.298 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.983 3.102 -0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.153 3.689 1.090 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.185 2.251 3.199 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.527 0.785 -0.570 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.959 -0.053 4.017 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.305 -1.519 0.245 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.346 -2.685 2.529 1.00 0.00 H new ATOM 1184 N THR A 79 -6.525 6.135 1.820 1.00 0.00 N ATOM 1185 CA THR A 79 -6.519 7.575 1.598 1.00 0.00 C ATOM 1186 C THR A 79 -5.165 8.180 1.951 1.00 0.00 C ATOM 1187 O THR A 79 -4.790 8.245 3.123 1.00 0.00 O ATOM 1188 CB THR A 79 -7.613 8.276 2.426 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.895 7.721 2.113 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.622 9.773 2.152 1.00 0.00 C ATOM 0 H THR A 79 -6.753 5.857 2.774 1.00 0.00 H new ATOM 0 HA THR A 79 -6.719 7.732 0.538 1.00 0.00 H new ATOM 0 HB THR A 79 -7.397 8.117 3.482 1.00 0.00 H new ATOM 0 HG1 THR A 79 -8.815 7.131 1.335 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.402 10.247 2.747 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.654 10.197 2.418 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.816 9.948 1.094 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.435 8.620 0.932 1.00 0.00 N ATOM 1199 CA CYS A 80 -3.121 9.220 1.136 1.00 0.00 C ATOM 1200 C CYS A 80 -3.247 10.700 1.481 1.00 0.00 C ATOM 1201 O CYS A 80 -3.359 11.547 0.595 1.00 0.00 O ATOM 1202 CB CYS A 80 -2.260 9.047 -0.116 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.480 9.107 0.199 1.00 0.00 S ATOM 0 H CYS A 80 -4.730 8.573 -0.043 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.641 8.711 1.972 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.504 8.093 -0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.518 9.827 -0.832 1.00 0.00 H new ATOM 0 HG CYS A 80 0.164 8.949 -0.919 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.229 11.005 2.775 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.343 12.383 3.237 1.00 0.00 C ATOM 1211 C GLU A 81 -1.971 13.047 3.314 1.00 0.00 C ATOM 1212 O GLU A 81 -1.063 12.546 3.977 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.023 12.430 4.607 1.00 0.00 C ATOM 1214 CG GLU A 81 -4.843 13.689 4.836 1.00 0.00 C ATOM 1215 CD GLU A 81 -4.878 14.104 6.294 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -3.931 14.786 6.739 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -5.852 13.748 6.990 1.00 0.00 O ATOM 0 H GLU A 81 -3.137 10.316 3.522 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.952 12.931 2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.671 11.560 4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.262 12.356 5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.428 14.502 4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.861 13.524 4.484 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.828 14.177 2.630 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.568 14.911 2.621 1.00 0.00 C ATOM 1226 C VAL A 82 -0.778 16.369 3.016 1.00 0.00 C ATOM 1227 O VAL A 82 -1.880 16.768 3.390 1.00 0.00 O ATOM 1228 CB VAL A 82 0.102 14.858 1.235 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.357 16.025 0.374 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.617 14.851 1.376 1.00 0.00 C ATOM 0 H VAL A 82 -2.569 14.605 2.075 1.00 0.00 H new ATOM 0 HA VAL A 82 0.084 14.430 3.351 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.198 13.934 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.127 15.970 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.438 15.979 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.089 16.963 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.074 14.813 0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.939 15.757 1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.925 13.978 1.952 1.00 0.00 H new ATOM 1240 N GLU A 83 0.288 17.159 2.929 1.00 0.00 N ATOM 1241 CA GLU A 83 0.219 18.573 3.278 1.00 0.00 C ATOM 1242 C GLU A 83 -1.176 19.131 3.017 1.00 0.00 C ATOM 1243 O GLU A 83 -1.929 19.411 3.949 1.00 0.00 O ATOM 1244 CB GLU A 83 1.256 19.368 2.482 1.00 0.00 C ATOM 1245 CG GLU A 83 2.402 18.520 1.957 1.00 0.00 C ATOM 1246 CD GLU A 83 3.150 17.801 3.063 1.00 0.00 C ATOM 1247 OE1 GLU A 83 4.083 18.401 3.636 1.00 0.00 O ATOM 1248 OE2 GLU A 83 2.802 16.637 3.355 1.00 0.00 O ATOM 0 H GLU A 83 1.208 16.844 2.620 1.00 0.00 H new ATOM 0 HA GLU A 83 0.436 18.669 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.761 19.855 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.660 20.158 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.013 17.787 1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.097 19.155 1.407 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.514 19.291 1.741 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.819 19.814 1.356 1.00 0.00 C ATOM 1257 C ALA A 84 -3.515 18.881 0.371 1.00 0.00 C ATOM 1258 O ALA A 84 -4.743 18.855 0.289 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.673 21.205 0.756 1.00 0.00 C ATOM 0 H ALA A 84 -0.902 19.066 0.957 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.436 19.879 2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.655 21.584 0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.224 21.873 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.035 21.156 -0.126 1.00 0.00 H new ATOM 1265 N SER A 85 -2.724 18.117 -0.374 1.00 0.00 N ATOM 1266 CA SER A 85 -3.265 17.186 -1.357 1.00 0.00 C ATOM 1267 C SER A 85 -3.775 15.918 -0.680 1.00 0.00 C ATOM 1268 O SER A 85 -3.499 15.672 0.494 1.00 0.00 O ATOM 1269 CB SER A 85 -2.198 16.830 -2.395 1.00 0.00 C ATOM 1270 OG SER A 85 -2.785 16.561 -3.657 1.00 0.00 O ATOM 0 H SER A 85 -1.706 18.124 -0.316 1.00 0.00 H new ATOM 0 HA SER A 85 -4.102 17.671 -1.859 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.488 17.652 -2.488 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.635 15.959 -2.059 1.00 0.00 H new ATOM 0 HG SER A 85 -2.108 16.653 -4.359 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.522 15.114 -1.430 1.00 0.00 N ATOM 1277 CA LYS A 86 -5.072 13.870 -0.905 1.00 0.00 C ATOM 1278 C LYS A 86 -5.348 12.879 -2.032 1.00 0.00 C ATOM 1279 O LYS A 86 -5.810 13.261 -3.107 1.00 0.00 O ATOM 1280 CB LYS A 86 -6.360 14.145 -0.126 1.00 0.00 C ATOM 1281 CG LYS A 86 -6.122 14.721 1.259 1.00 0.00 C ATOM 1282 CD LYS A 86 -7.220 14.315 2.228 1.00 0.00 C ATOM 1283 CE LYS A 86 -8.536 15.001 1.897 1.00 0.00 C ATOM 1284 NZ LYS A 86 -9.344 14.215 0.924 1.00 0.00 N ATOM 0 H LYS A 86 -4.760 15.302 -2.404 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.335 13.432 -0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.979 14.837 -0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.923 13.217 -0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.158 14.379 1.636 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.073 15.808 1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.354 13.234 2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.922 14.569 3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.110 15.145 2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.336 15.991 1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.354 14.415 1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.075 14.480 -0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.168 13.200 1.066 1.00 0.00 H new ATOM 1298 N SER A 87 -5.064 11.606 -1.778 1.00 0.00 N ATOM 1299 CA SER A 87 -5.280 10.561 -2.772 1.00 0.00 C ATOM 1300 C SER A 87 -6.117 9.425 -2.193 1.00 0.00 C ATOM 1301 O SER A 87 -6.123 9.196 -0.983 1.00 0.00 O ATOM 1302 CB SER A 87 -3.940 10.019 -3.272 1.00 0.00 C ATOM 1303 OG SER A 87 -4.113 9.222 -4.431 1.00 0.00 O ATOM 0 H SER A 87 -4.684 11.273 -0.892 1.00 0.00 H new ATOM 0 HA SER A 87 -5.823 10.998 -3.610 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.269 10.849 -3.494 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.468 9.428 -2.487 1.00 0.00 H new ATOM 0 HG SER A 87 -4.413 8.326 -4.170 1.00 0.00 H new ATOM 1309 N THR A 88 -6.824 8.714 -3.066 1.00 0.00 N ATOM 1310 CA THR A 88 -7.666 7.602 -2.643 1.00 0.00 C ATOM 1311 C THR A 88 -7.603 6.454 -3.643 1.00 0.00 C ATOM 1312 O THR A 88 -7.469 6.673 -4.847 1.00 0.00 O ATOM 1313 CB THR A 88 -9.133 8.041 -2.474 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.204 9.200 -1.636 1.00 0.00 O ATOM 1315 CG2 THR A 88 -9.966 6.921 -1.871 1.00 0.00 C ATOM 0 H THR A 88 -6.830 8.889 -4.071 1.00 0.00 H new ATOM 0 HA THR A 88 -7.283 7.263 -1.680 1.00 0.00 H new ATOM 0 HB THR A 88 -9.534 8.281 -3.459 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.140 9.474 -1.535 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.998 7.254 -1.761 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.933 6.050 -2.526 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.564 6.655 -0.893 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.701 5.229 -3.137 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.658 4.045 -3.987 1.00 0.00 C ATOM 1325 C ALA A 89 -8.442 2.895 -3.366 1.00 0.00 C ATOM 1326 O ALA A 89 -8.991 3.024 -2.273 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.216 3.629 -4.239 1.00 0.00 C ATOM 0 H ALA A 89 -7.811 5.030 -2.143 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.124 4.295 -4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.198 2.744 -4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.684 4.442 -4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.731 3.403 -3.289 1.00 0.00 H new ATOM 1333 N SER A 90 -8.490 1.769 -4.072 1.00 0.00 N ATOM 1334 CA SER A 90 -9.212 0.596 -3.591 1.00 0.00 C ATOM 1335 C SER A 90 -8.454 -0.684 -3.929 1.00 0.00 C ATOM 1336 O SER A 90 -8.193 -0.975 -5.097 1.00 0.00 O ATOM 1337 CB SER A 90 -10.614 0.548 -4.202 1.00 0.00 C ATOM 1338 OG SER A 90 -10.566 0.146 -5.560 1.00 0.00 O ATOM 0 H SER A 90 -8.038 1.644 -4.978 1.00 0.00 H new ATOM 0 HA SER A 90 -9.298 0.672 -2.507 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.237 -0.145 -3.636 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.081 1.530 -4.127 1.00 0.00 H new ATOM 0 HG SER A 90 -9.662 -0.165 -5.777 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.102 -1.445 -2.899 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.374 -2.695 -3.085 1.00 0.00 C ATOM 1346 C LEU A 91 -8.330 -3.841 -3.398 1.00 0.00 C ATOM 1347 O LEU A 91 -9.395 -3.959 -2.792 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.559 -3.024 -1.833 1.00 0.00 C ATOM 1349 CG LEU A 91 -6.157 -4.490 -1.659 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -5.127 -4.888 -2.704 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.619 -4.732 -0.257 1.00 0.00 C ATOM 0 H LEU A 91 -8.309 -1.218 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.697 -2.570 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.653 -2.419 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.135 -2.720 -0.959 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.043 -5.109 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.853 -5.934 -2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.548 -4.753 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.240 -4.263 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.338 -5.780 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.745 -4.103 -0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.388 -4.487 0.475 1.00 0.00 H new ATOM 1363 N HIS A 92 -7.942 -4.686 -4.349 1.00 0.00 N ATOM 1364 CA HIS A 92 -8.764 -5.825 -4.741 1.00 0.00 C ATOM 1365 C HIS A 92 -8.024 -7.137 -4.502 1.00 0.00 C ATOM 1366 O HIS A 92 -6.854 -7.276 -4.859 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.161 -5.711 -6.214 1.00 0.00 C ATOM 1368 CG HIS A 92 -9.828 -4.415 -6.556 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -11.036 -4.024 -6.017 1.00 0.00 N ATOM 1370 CD2 HIS A 92 -9.448 -3.416 -7.386 1.00 0.00 C ATOM 1371 CE1 HIS A 92 -11.371 -2.843 -6.503 1.00 0.00 C ATOM 1372 NE2 HIS A 92 -10.423 -2.451 -7.336 1.00 0.00 N ATOM 0 H HIS A 92 -7.064 -4.603 -4.862 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.665 -5.820 -4.128 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.270 -5.826 -6.832 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.831 -6.533 -6.466 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -11.585 -4.563 -5.347 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.545 -3.384 -7.978 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.267 -2.291 -6.261 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.713 -8.098 -3.895 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.121 -9.399 -3.608 1.00 0.00 C ATOM 1383 C VAL A 93 -9.126 -10.523 -3.837 1.00 0.00 C ATOM 1384 O VAL A 93 -10.287 -10.419 -3.444 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.606 -9.474 -2.158 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -8.585 -8.802 -1.208 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -7.365 -10.920 -1.753 1.00 0.00 C ATOM 0 H VAL A 93 -9.682 -8.000 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.281 -9.522 -4.291 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.657 -8.941 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.204 -8.865 -0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.703 -7.755 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.551 -9.304 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.001 -10.954 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.298 -11.479 -1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.623 -11.365 -2.416 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.669 -11.596 -4.476 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.529 -12.739 -4.758 1.00 0.00 C ATOM 1399 C GLU A 94 -8.709 -14.020 -4.880 1.00 0.00 C ATOM 1400 O GLU A 94 -7.632 -14.024 -5.475 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.323 -12.504 -6.045 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.426 -11.469 -5.899 1.00 0.00 C ATOM 1403 CD GLU A 94 -12.510 -11.620 -6.949 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -12.303 -11.153 -8.088 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -13.566 -12.206 -6.630 1.00 0.00 O ATOM 0 H GLU A 94 -7.710 -11.697 -4.807 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.225 -12.851 -3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.639 -12.185 -6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.762 -13.448 -6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.871 -11.555 -4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.994 -10.471 -5.969 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.227 -15.104 -4.312 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.542 -16.391 -4.356 1.00 0.00 C ATOM 1414 C GLU A 95 -8.845 -17.124 -5.660 1.00 0.00 C ATOM 1415 O GLU A 95 -9.922 -16.970 -6.237 1.00 0.00 O ATOM 1416 CB GLU A 95 -8.957 -17.256 -3.164 1.00 0.00 C ATOM 1417 CG GLU A 95 -8.026 -18.430 -2.911 1.00 0.00 C ATOM 1418 CD GLU A 95 -8.624 -19.456 -1.969 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -9.863 -19.614 -1.971 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -7.852 -20.103 -1.229 1.00 0.00 O ATOM 0 H GLU A 95 -10.118 -15.117 -3.816 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.469 -16.205 -4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.995 -16.634 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.966 -17.633 -3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.786 -18.910 -3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.089 -18.062 -2.494 1.00 0.00 H new ATOM 1427 N LYS A 96 -7.887 -17.921 -6.120 1.00 0.00 N ATOM 1428 CA LYS A 96 -8.048 -18.680 -7.354 1.00 0.00 C ATOM 1429 C LYS A 96 -8.765 -20.000 -7.092 1.00 0.00 C ATOM 1430 O LYS A 96 -9.169 -20.285 -5.965 1.00 0.00 O ATOM 1431 CB LYS A 96 -6.685 -18.946 -7.996 1.00 0.00 C ATOM 1432 CG LYS A 96 -5.913 -17.681 -8.332 1.00 0.00 C ATOM 1433 CD LYS A 96 -6.392 -17.066 -9.636 1.00 0.00 C ATOM 1434 CE LYS A 96 -5.713 -15.732 -9.905 1.00 0.00 C ATOM 1435 NZ LYS A 96 -6.304 -14.634 -9.091 1.00 0.00 N ATOM 0 H LYS A 96 -6.989 -18.058 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.655 -18.087 -8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.087 -19.557 -7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.829 -19.526 -8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.027 -16.958 -7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.850 -17.911 -8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.189 -17.751 -10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.472 -16.925 -9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.649 -15.815 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.801 -15.487 -10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.814 -13.742 -9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.314 -14.537 -9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.198 -14.855 -8.080 1.00 0.00 H new ATOM 1449 N ALA A 97 -8.918 -20.804 -8.139 1.00 0.00 N ATOM 1450 CA ALA A 97 -9.583 -22.096 -8.021 1.00 0.00 C ATOM 1451 C ALA A 97 -9.152 -23.039 -9.138 1.00 0.00 C ATOM 1452 O ALA A 97 -8.726 -22.599 -10.206 1.00 0.00 O ATOM 1453 CB ALA A 97 -11.093 -21.915 -8.033 1.00 0.00 C ATOM 0 H ALA A 97 -8.590 -20.583 -9.079 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.289 -22.543 -7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.577 -22.888 -7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.390 -21.284 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -11.395 -21.443 -8.968 1.00 0.00 H new ATOM 1459 N SER A 98 -9.264 -24.339 -8.885 1.00 0.00 N ATOM 1460 CA SER A 98 -8.881 -25.346 -9.869 1.00 0.00 C ATOM 1461 C SER A 98 -10.016 -25.600 -10.856 1.00 0.00 C ATOM 1462 O SER A 98 -11.065 -26.129 -10.490 1.00 0.00 O ATOM 1463 CB SER A 98 -8.495 -26.651 -9.170 1.00 0.00 C ATOM 1464 OG SER A 98 -9.501 -27.058 -8.258 1.00 0.00 O ATOM 0 H SER A 98 -9.617 -24.720 -8.007 1.00 0.00 H new ATOM 0 HA SER A 98 -8.020 -24.970 -10.422 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.336 -27.432 -9.913 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.552 -26.518 -8.640 1.00 0.00 H new ATOM 0 HG SER A 98 -10.377 -27.007 -8.693 1.00 0.00 H new ATOM 1470 N GLY A 99 -9.798 -25.218 -12.110 1.00 0.00 N ATOM 1471 CA GLY A 99 -10.811 -25.412 -13.132 1.00 0.00 C ATOM 1472 C GLY A 99 -10.965 -26.867 -13.526 1.00 0.00 C ATOM 1473 O GLY A 99 -10.275 -27.748 -13.012 1.00 0.00 O ATOM 0 H GLY A 99 -8.938 -24.778 -12.437 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -11.767 -25.034 -12.768 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.551 -24.826 -14.013 1.00 0.00 H new ATOM 1477 N PRO A 100 -11.891 -27.137 -14.458 1.00 0.00 N ATOM 1478 CA PRO A 100 -12.157 -28.495 -14.940 1.00 0.00 C ATOM 1479 C PRO A 100 -11.010 -29.047 -15.780 1.00 0.00 C ATOM 1480 O PRO A 100 -11.036 -30.204 -16.200 1.00 0.00 O ATOM 1481 CB PRO A 100 -13.415 -28.328 -15.797 1.00 0.00 C ATOM 1482 CG PRO A 100 -13.386 -26.905 -16.238 1.00 0.00 C ATOM 1483 CD PRO A 100 -12.750 -26.136 -15.113 1.00 0.00 C ATOM 0 HA PRO A 100 -12.275 -29.203 -14.119 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -13.406 -29.007 -16.650 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -14.316 -28.547 -15.224 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.814 -26.793 -17.159 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -14.392 -26.539 -16.441 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -12.171 -25.289 -15.482 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -13.497 -25.737 -14.427 1.00 0.00 H new ATOM 1491 N SER A 101 -10.004 -28.212 -16.021 1.00 0.00 N ATOM 1492 CA SER A 101 -8.849 -28.616 -16.814 1.00 0.00 C ATOM 1493 C SER A 101 -8.502 -30.080 -16.561 1.00 0.00 C ATOM 1494 O SER A 101 -8.305 -30.495 -15.419 1.00 0.00 O ATOM 1495 CB SER A 101 -7.645 -27.731 -16.486 1.00 0.00 C ATOM 1496 OG SER A 101 -7.202 -27.943 -15.157 1.00 0.00 O ATOM 0 H SER A 101 -9.966 -27.252 -15.679 1.00 0.00 H new ATOM 0 HA SER A 101 -9.102 -28.497 -17.867 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.833 -27.944 -17.181 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.913 -26.683 -16.620 1.00 0.00 H new ATOM 0 HG SER A 101 -7.528 -28.810 -14.838 1.00 0.00 H new ATOM 1502 N SER A 102 -8.429 -30.858 -17.637 1.00 0.00 N ATOM 1503 CA SER A 102 -8.109 -32.277 -17.533 1.00 0.00 C ATOM 1504 C SER A 102 -8.956 -32.947 -16.455 1.00 0.00 C ATOM 1505 O SER A 102 -8.481 -33.820 -15.731 1.00 0.00 O ATOM 1506 CB SER A 102 -6.623 -32.466 -17.222 1.00 0.00 C ATOM 1507 OG SER A 102 -6.156 -33.713 -17.703 1.00 0.00 O ATOM 0 H SER A 102 -8.587 -30.530 -18.590 1.00 0.00 H new ATOM 0 HA SER A 102 -8.334 -32.746 -18.491 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.048 -31.659 -17.676 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.463 -32.405 -16.146 1.00 0.00 H new ATOM 0 HG SER A 102 -5.204 -33.809 -17.493 1.00 0.00 H new ATOM 1513 N GLY A 103 -10.215 -32.531 -16.356 1.00 0.00 N ATOM 1514 CA GLY A 103 -11.108 -33.100 -15.365 1.00 0.00 C ATOM 1515 C GLY A 103 -12.245 -32.165 -15.004 1.00 0.00 C ATOM 1516 O GLY A 103 -13.241 -32.081 -15.722 1.00 0.00 O ATOM 0 H GLY A 103 -10.632 -31.810 -16.945 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.518 -34.036 -15.745 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -10.541 -33.342 -14.466 1.00 0.00 H new TER 1520 GLY A 103