USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1045 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 59 SER OG : rot -73:sc= -0.603 USER MOD Set 1.2: A 85 TYR OH : rot 164:sc= 0.496 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=-0.15) USER MOD Single : A 20 LYS NZ :NH3+ -149:sc= -3.23 (180deg=-4.87!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -86:sc= 1.13 USER MOD Single : A 43 THR OG1 : rot -144:sc= -0.549! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 165:sc= -1.32 (180deg=-2.19) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -2.12! USER MOD Single : A 77 TYR OH : rot 125:sc= 0.797 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 88 SER OG : rot 66:sc= -0.408 USER MOD Single : A 90 LYS NZ :NH3+ -114:sc= -0.317 (180deg=-1.81) USER MOD Single : A 92 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 95 HIS : no HE2:sc= -2.64! C(o=-2.6!,f=-3.1!) USER MOD Single : A 99 SER OG : rot 180:sc= -0.49 USER MOD Single : A 107 SER OG : rot 25:sc= 0.619 USER MOD Single : A 109 SER OG : rot -33:sc= -1.43! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -56:sc= 0.624 USER MOD Single : A 119 SER OG : rot -73:sc= 0.93 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -156:sc= -0.158 (180deg=-1.03) USER MOD Single : B 3 SER OG : rot -88:sc= 0.0663 USER MOD Single : B 4 LYS NZ :NH3+ 130:sc= -0.057 (180deg=-0.513) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 SER OG : rot 180:sc= -1.35! USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 44:sc= 0.333 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 117.282 11.379 45.550 1.00 6.50 N ATOM 2 CA GLY A 1 117.955 10.279 44.726 1.00 6.23 C ATOM 3 C GLY A 1 119.320 9.810 45.093 1.00 6.29 C ATOM 4 O GLY A 1 120.101 10.539 45.672 1.00 6.64 O ATOM 0 H1 GLY A 1 116.341 11.581 45.156 1.00 6.50 H new ATOM 0 H2 GLY A 1 117.185 11.064 46.536 1.00 6.50 H new ATOM 0 H3 GLY A 1 117.863 12.241 45.518 1.00 6.50 H new ATOM 0 HA2 GLY A 1 117.297 9.410 44.744 1.00 6.23 H new ATOM 0 HA3 GLY A 1 117.997 10.626 43.693 1.00 6.23 H new ATOM 10 N ILE A 2 119.647 8.592 44.755 1.00 6.02 N ATOM 11 CA ILE A 2 120.984 8.050 45.068 1.00 6.16 C ATOM 12 C ILE A 2 121.113 6.689 44.372 1.00 5.79 C ATOM 13 O ILE A 2 121.480 5.712 44.989 1.00 5.94 O ATOM 14 CB ILE A 2 121.136 7.903 46.597 1.00 6.64 C ATOM 15 CG1 ILE A 2 122.576 7.481 46.947 1.00 7.00 C ATOM 16 CG2 ILE A 2 120.138 6.861 47.142 1.00 7.08 C ATOM 17 CD1 ILE A 2 122.879 7.835 48.406 1.00 7.04 C ATOM 0 H ILE A 2 119.028 7.945 44.267 1.00 6.02 H new ATOM 0 HA ILE A 2 121.769 8.718 44.715 1.00 6.16 H new ATOM 0 HB ILE A 2 120.923 8.867 47.060 1.00 6.64 H new ATOM 0 HG12 ILE A 2 122.699 6.409 46.790 1.00 7.00 H new ATOM 0 HG13 ILE A 2 123.283 7.983 46.287 1.00 7.00 H new ATOM 0 HG21 ILE A 2 120.260 6.771 48.221 1.00 7.08 H new ATOM 0 HG22 ILE A 2 119.120 7.180 46.917 1.00 7.08 H new ATOM 0 HG23 ILE A 2 120.328 5.895 46.673 1.00 7.08 H new ATOM 0 HD11 ILE A 2 123.898 7.535 48.649 1.00 7.04 H new ATOM 0 HD12 ILE A 2 122.774 8.910 48.549 1.00 7.04 H new ATOM 0 HD13 ILE A 2 122.181 7.312 49.060 1.00 7.04 H new ATOM 29 N PRO A 3 120.810 6.654 43.088 1.00 5.36 N ATOM 30 CA PRO A 3 120.904 5.406 42.322 1.00 5.06 C ATOM 31 C PRO A 3 122.326 4.891 42.413 1.00 5.29 C ATOM 32 O PRO A 3 122.615 3.981 43.161 1.00 5.50 O ATOM 33 CB PRO A 3 120.537 5.802 40.868 1.00 4.64 C ATOM 34 CG PRO A 3 120.438 7.352 40.831 1.00 4.75 C ATOM 35 CD PRO A 3 120.377 7.831 42.293 1.00 5.21 C ATOM 0 HA PRO A 3 120.247 4.617 42.688 1.00 5.06 H new ATOM 0 HB2 PRO A 3 121.294 5.447 40.169 1.00 4.64 H new ATOM 0 HB3 PRO A 3 119.591 5.348 40.572 1.00 4.64 H new ATOM 0 HG2 PRO A 3 121.299 7.782 40.319 1.00 4.75 H new ATOM 0 HG3 PRO A 3 119.551 7.669 40.283 1.00 4.75 H new ATOM 0 HD2 PRO A 3 121.034 8.685 42.459 1.00 5.21 H new ATOM 0 HD3 PRO A 3 119.370 8.146 42.566 1.00 5.21 H new ATOM 43 N GLU A 4 123.198 5.412 41.596 1.00 5.31 N ATOM 44 CA GLU A 4 124.604 4.889 41.573 1.00 5.63 C ATOM 45 C GLU A 4 124.490 3.467 41.036 1.00 5.43 C ATOM 46 O GLU A 4 125.453 2.777 40.765 1.00 5.60 O ATOM 47 CB GLU A 4 125.240 4.894 42.975 1.00 6.12 C ATOM 48 CG GLU A 4 124.916 6.205 43.706 1.00 6.48 C ATOM 49 CD GLU A 4 125.189 7.399 42.785 1.00 6.49 C ATOM 50 OE1 GLU A 4 126.344 7.767 42.650 1.00 6.52 O ATOM 51 OE2 GLU A 4 124.237 7.923 42.230 1.00 6.75 O ATOM 0 H GLU A 4 123.005 6.173 40.945 1.00 5.31 H new ATOM 0 HA GLU A 4 125.249 5.514 40.955 1.00 5.63 H new ATOM 0 HB2 GLU A 4 124.869 4.047 43.552 1.00 6.12 H new ATOM 0 HB3 GLU A 4 126.320 4.774 42.892 1.00 6.12 H new ATOM 0 HG2 GLU A 4 123.872 6.208 44.019 1.00 6.48 H new ATOM 0 HG3 GLU A 4 125.520 6.286 44.610 1.00 6.48 H new ATOM 58 N PHE A 5 123.264 3.090 40.835 1.00 5.16 N ATOM 59 CA PHE A 5 122.882 1.798 40.263 1.00 5.00 C ATOM 60 C PHE A 5 122.462 2.169 38.850 1.00 4.64 C ATOM 61 O PHE A 5 121.732 1.475 38.170 1.00 4.55 O ATOM 62 CB PHE A 5 121.676 1.274 41.069 1.00 4.89 C ATOM 63 CG PHE A 5 122.154 0.361 42.180 1.00 5.24 C ATOM 64 CD1 PHE A 5 122.707 -0.888 41.868 1.00 5.59 C ATOM 65 CD2 PHE A 5 122.043 0.761 43.519 1.00 5.36 C ATOM 66 CE1 PHE A 5 123.148 -1.734 42.893 1.00 6.01 C ATOM 67 CE2 PHE A 5 122.483 -0.086 44.543 1.00 5.76 C ATOM 68 CZ PHE A 5 123.036 -1.334 44.230 1.00 6.07 C ATOM 0 H PHE A 5 122.464 3.679 41.066 1.00 5.16 H new ATOM 0 HA PHE A 5 123.658 1.032 40.279 1.00 5.00 H new ATOM 0 HB2 PHE A 5 121.118 2.110 41.489 1.00 4.89 H new ATOM 0 HB3 PHE A 5 120.995 0.734 40.411 1.00 4.89 H new ATOM 0 HD1 PHE A 5 122.793 -1.198 40.837 1.00 5.59 H new ATOM 0 HD2 PHE A 5 121.618 1.724 43.761 1.00 5.36 H new ATOM 0 HE1 PHE A 5 123.575 -2.696 42.652 1.00 6.01 H new ATOM 0 HE2 PHE A 5 122.396 0.223 45.574 1.00 5.76 H new ATOM 0 HZ PHE A 5 123.376 -1.988 45.020 1.00 6.07 H new ATOM 78 N PHE A 6 122.909 3.336 38.460 1.00 4.56 N ATOM 79 CA PHE A 6 122.572 3.920 37.149 1.00 4.25 C ATOM 80 C PHE A 6 121.078 3.775 36.906 1.00 3.91 C ATOM 81 O PHE A 6 120.295 3.789 37.832 1.00 3.94 O ATOM 82 CB PHE A 6 123.379 3.274 36.017 1.00 4.31 C ATOM 83 CG PHE A 6 123.250 1.768 36.063 1.00 4.35 C ATOM 84 CD1 PHE A 6 124.138 1.014 36.843 1.00 4.57 C ATOM 85 CD2 PHE A 6 122.250 1.122 35.324 1.00 4.48 C ATOM 86 CE1 PHE A 6 124.024 -0.381 36.885 1.00 4.72 C ATOM 87 CE2 PHE A 6 122.137 -0.272 35.367 1.00 4.63 C ATOM 88 CZ PHE A 6 123.024 -1.024 36.147 1.00 4.65 C ATOM 0 H PHE A 6 123.519 3.923 39.030 1.00 4.56 H new ATOM 0 HA PHE A 6 122.836 4.978 37.159 1.00 4.25 H new ATOM 0 HB2 PHE A 6 123.027 3.645 35.055 1.00 4.31 H new ATOM 0 HB3 PHE A 6 124.428 3.557 36.104 1.00 4.31 H new ATOM 0 HD1 PHE A 6 124.911 1.510 37.412 1.00 4.57 H new ATOM 0 HD2 PHE A 6 121.566 1.700 34.721 1.00 4.48 H new ATOM 0 HE1 PHE A 6 124.708 -0.961 37.487 1.00 4.72 H new ATOM 0 HE2 PHE A 6 121.365 -0.768 34.798 1.00 4.63 H new ATOM 0 HZ PHE A 6 122.936 -2.100 36.179 1.00 4.65 H new ATOM 98 N GLN A 7 120.682 3.702 35.670 1.00 3.67 N ATOM 99 CA GLN A 7 119.236 3.625 35.332 1.00 3.44 C ATOM 100 C GLN A 7 118.756 5.063 35.352 1.00 3.39 C ATOM 101 O GLN A 7 117.662 5.392 34.937 1.00 3.31 O ATOM 102 CB GLN A 7 118.459 2.762 36.354 1.00 3.53 C ATOM 103 CG GLN A 7 117.252 2.102 35.675 1.00 3.71 C ATOM 104 CD GLN A 7 116.548 1.177 36.670 1.00 4.00 C ATOM 105 OE1 GLN A 7 116.127 0.094 36.316 1.00 4.40 O ATOM 106 NE2 GLN A 7 116.403 1.559 37.909 1.00 4.34 N ATOM 0 H GLN A 7 121.309 3.692 34.866 1.00 3.67 H new ATOM 0 HA GLN A 7 119.071 3.150 34.365 1.00 3.44 H new ATOM 0 HB2 GLN A 7 119.115 1.998 36.770 1.00 3.53 H new ATOM 0 HB3 GLN A 7 118.124 3.382 37.186 1.00 3.53 H new ATOM 0 HG2 GLN A 7 116.560 2.865 35.319 1.00 3.71 H new ATOM 0 HG3 GLN A 7 117.577 1.535 34.803 1.00 3.71 H new ATOM 0 HE21 GLN A 7 116.756 2.468 38.207 1.00 4.34 H new ATOM 0 HE22 GLN A 7 115.936 0.948 38.580 1.00 4.34 H new ATOM 115 N PHE A 8 119.623 5.928 35.818 1.00 3.56 N ATOM 116 CA PHE A 8 119.309 7.378 35.865 1.00 3.66 C ATOM 117 C PHE A 8 120.601 8.144 35.637 1.00 3.86 C ATOM 118 O PHE A 8 120.645 9.127 34.925 1.00 3.90 O ATOM 119 CB PHE A 8 118.705 7.747 37.220 1.00 3.88 C ATOM 120 CG PHE A 8 117.309 7.182 37.318 1.00 4.09 C ATOM 121 CD1 PHE A 8 116.234 7.867 36.739 1.00 4.61 C ATOM 122 CD2 PHE A 8 117.090 5.972 37.986 1.00 4.13 C ATOM 123 CE1 PHE A 8 114.940 7.342 36.829 1.00 5.15 C ATOM 124 CE2 PHE A 8 115.795 5.447 38.076 1.00 4.64 C ATOM 125 CZ PHE A 8 114.720 6.132 37.498 1.00 5.15 C ATOM 0 H PHE A 8 120.547 5.681 36.172 1.00 3.56 H new ATOM 0 HA PHE A 8 118.580 7.631 35.095 1.00 3.66 H new ATOM 0 HB2 PHE A 8 119.325 7.355 38.026 1.00 3.88 H new ATOM 0 HB3 PHE A 8 118.680 8.830 37.336 1.00 3.88 H new ATOM 0 HD1 PHE A 8 116.403 8.800 36.223 1.00 4.61 H new ATOM 0 HD2 PHE A 8 117.919 5.443 38.432 1.00 4.13 H new ATOM 0 HE1 PHE A 8 114.111 7.870 36.382 1.00 5.15 H new ATOM 0 HE2 PHE A 8 115.626 4.513 38.592 1.00 4.64 H new ATOM 0 HZ PHE A 8 113.721 5.727 37.568 1.00 5.15 H new ATOM 135 N THR A 9 121.664 7.658 36.197 1.00 4.05 N ATOM 136 CA THR A 9 122.988 8.297 35.986 1.00 4.35 C ATOM 137 C THR A 9 123.612 7.568 34.807 1.00 4.27 C ATOM 138 O THR A 9 124.737 7.808 34.416 1.00 4.54 O ATOM 139 CB THR A 9 123.859 8.111 37.232 1.00 4.71 C ATOM 140 OG1 THR A 9 123.163 8.601 38.369 1.00 4.79 O ATOM 141 CG2 THR A 9 125.177 8.874 37.069 1.00 5.13 C ATOM 0 H THR A 9 121.675 6.835 36.800 1.00 4.05 H new ATOM 0 HA THR A 9 122.897 9.367 35.799 1.00 4.35 H new ATOM 0 HB THR A 9 124.077 7.051 37.363 1.00 4.71 H new ATOM 0 HG1 THR A 9 123.717 8.482 39.168 1.00 4.79 H new ATOM 0 HG21 THR A 9 125.790 8.736 37.960 1.00 5.13 H new ATOM 0 HG22 THR A 9 125.712 8.495 36.198 1.00 5.13 H new ATOM 0 HG23 THR A 9 124.969 9.935 36.933 1.00 5.13 H new ATOM 149 N VAL A 10 122.857 6.660 34.250 1.00 3.98 N ATOM 150 CA VAL A 10 123.342 5.863 33.096 1.00 3.98 C ATOM 151 C VAL A 10 123.990 6.795 32.065 1.00 4.13 C ATOM 152 O VAL A 10 125.027 6.500 31.505 1.00 4.38 O ATOM 153 CB VAL A 10 122.155 5.116 32.471 1.00 3.67 C ATOM 154 CG1 VAL A 10 121.110 6.118 31.978 1.00 3.45 C ATOM 155 CG2 VAL A 10 122.638 4.251 31.302 1.00 3.81 C ATOM 0 H VAL A 10 121.909 6.436 34.554 1.00 3.98 H new ATOM 0 HA VAL A 10 124.087 5.139 33.428 1.00 3.98 H new ATOM 0 HB VAL A 10 121.704 4.473 33.227 1.00 3.67 H new ATOM 0 HG11 VAL A 10 120.271 5.581 31.536 1.00 3.45 H new ATOM 0 HG12 VAL A 10 120.756 6.717 32.817 1.00 3.45 H new ATOM 0 HG13 VAL A 10 121.557 6.772 31.229 1.00 3.45 H new ATOM 0 HG21 VAL A 10 121.790 3.724 30.864 1.00 3.81 H new ATOM 0 HG22 VAL A 10 123.100 4.886 30.546 1.00 3.81 H new ATOM 0 HG23 VAL A 10 123.368 3.526 31.663 1.00 3.81 H new ATOM 165 N GLY A 11 123.378 7.919 31.818 1.00 4.03 N ATOM 166 CA GLY A 11 123.929 8.901 30.828 1.00 4.22 C ATOM 167 C GLY A 11 122.751 9.506 30.047 1.00 3.95 C ATOM 168 O GLY A 11 122.263 10.556 30.414 1.00 4.02 O ATOM 0 H GLY A 11 122.507 8.208 32.264 1.00 4.03 H new ATOM 0 HA2 GLY A 11 124.488 9.684 31.340 1.00 4.22 H new ATOM 0 HA3 GLY A 11 124.623 8.407 30.148 1.00 4.22 H new ATOM 172 N PRO A 12 122.287 8.817 29.020 1.00 3.78 N ATOM 173 CA PRO A 12 121.121 9.278 28.232 1.00 3.70 C ATOM 174 C PRO A 12 119.872 9.236 29.126 1.00 3.49 C ATOM 175 O PRO A 12 118.805 8.841 28.703 1.00 3.54 O ATOM 176 CB PRO A 12 121.012 8.260 27.079 1.00 3.74 C ATOM 177 CG PRO A 12 121.883 7.048 27.488 1.00 3.77 C ATOM 178 CD PRO A 12 122.874 7.548 28.549 1.00 3.85 C ATOM 0 HA PRO A 12 121.219 10.297 27.858 1.00 3.70 H new ATOM 0 HB2 PRO A 12 119.976 7.959 26.922 1.00 3.74 H new ATOM 0 HB3 PRO A 12 121.363 8.693 26.143 1.00 3.74 H new ATOM 0 HG2 PRO A 12 121.264 6.244 27.886 1.00 3.77 H new ATOM 0 HG3 PRO A 12 122.412 6.644 26.625 1.00 3.77 H new ATOM 0 HD2 PRO A 12 122.981 6.832 29.364 1.00 3.85 H new ATOM 0 HD3 PRO A 12 123.867 7.701 28.126 1.00 3.85 H new ATOM 186 N LEU A 13 120.035 9.638 30.362 1.00 3.44 N ATOM 187 CA LEU A 13 118.920 9.654 31.372 1.00 3.29 C ATOM 188 C LEU A 13 117.885 8.571 31.063 1.00 3.00 C ATOM 189 O LEU A 13 116.698 8.766 31.234 1.00 2.85 O ATOM 190 CB LEU A 13 118.241 11.042 31.423 1.00 3.36 C ATOM 191 CG LEU A 13 118.035 11.630 30.003 1.00 3.37 C ATOM 192 CD1 LEU A 13 116.797 12.535 29.990 1.00 3.46 C ATOM 193 CD2 LEU A 13 119.254 12.468 29.586 1.00 3.67 C ATOM 0 H LEU A 13 120.927 9.969 30.729 1.00 3.44 H new ATOM 0 HA LEU A 13 119.356 9.446 32.349 1.00 3.29 H new ATOM 0 HB2 LEU A 13 117.278 10.958 31.926 1.00 3.36 H new ATOM 0 HB3 LEU A 13 118.851 11.724 32.015 1.00 3.36 H new ATOM 0 HG LEU A 13 117.905 10.802 29.306 1.00 3.37 H new ATOM 0 HD11 LEU A 13 116.657 12.946 28.990 1.00 3.46 H new ATOM 0 HD12 LEU A 13 115.918 11.954 30.270 1.00 3.46 H new ATOM 0 HD13 LEU A 13 116.935 13.350 30.701 1.00 3.46 H new ATOM 0 HD21 LEU A 13 119.093 12.873 28.587 1.00 3.67 H new ATOM 0 HD22 LEU A 13 119.391 13.287 30.292 1.00 3.67 H new ATOM 0 HD23 LEU A 13 120.144 11.839 29.583 1.00 3.67 H new ATOM 205 N GLY A 14 118.326 7.432 30.610 1.00 2.97 N ATOM 206 CA GLY A 14 117.370 6.336 30.288 1.00 2.73 C ATOM 207 C GLY A 14 116.509 6.743 29.094 1.00 2.55 C ATOM 208 O GLY A 14 116.127 5.921 28.287 1.00 2.44 O ATOM 0 H GLY A 14 119.309 7.212 30.448 1.00 2.97 H new ATOM 0 HA2 GLY A 14 117.915 5.419 30.061 1.00 2.73 H new ATOM 0 HA3 GLY A 14 116.738 6.126 31.151 1.00 2.73 H new ATOM 212 N GLU A 15 116.179 8.006 28.994 1.00 2.58 N ATOM 213 CA GLU A 15 115.322 8.482 27.876 1.00 2.51 C ATOM 214 C GLU A 15 113.951 7.809 27.981 1.00 2.29 C ATOM 215 O GLU A 15 113.012 8.179 27.307 1.00 2.29 O ATOM 216 CB GLU A 15 115.989 8.154 26.540 1.00 2.63 C ATOM 217 CG GLU A 15 115.360 8.992 25.423 1.00 2.71 C ATOM 218 CD GLU A 15 115.780 10.454 25.582 1.00 2.55 C ATOM 219 OE1 GLU A 15 116.889 10.778 25.189 1.00 2.97 O ATOM 220 OE2 GLU A 15 114.986 11.226 26.094 1.00 2.74 O ATOM 0 H GLU A 15 116.472 8.732 29.648 1.00 2.58 H new ATOM 0 HA GLU A 15 115.192 9.563 27.935 1.00 2.51 H new ATOM 0 HB2 GLU A 15 117.059 8.355 26.599 1.00 2.63 H new ATOM 0 HB3 GLU A 15 115.876 7.093 26.318 1.00 2.63 H new ATOM 0 HG2 GLU A 15 115.676 8.616 24.450 1.00 2.71 H new ATOM 0 HG3 GLU A 15 114.274 8.909 25.459 1.00 2.71 H new ATOM 227 N GLY A 16 113.825 6.840 28.857 1.00 2.21 N ATOM 228 CA GLY A 16 112.519 6.148 29.056 1.00 2.06 C ATOM 229 C GLY A 16 112.519 4.777 28.370 1.00 1.98 C ATOM 230 O GLY A 16 113.541 4.133 28.234 1.00 2.44 O ATOM 0 H GLY A 16 114.583 6.498 29.448 1.00 2.21 H new ATOM 0 HA2 GLY A 16 112.326 6.026 30.122 1.00 2.06 H new ATOM 0 HA3 GLY A 16 111.713 6.761 28.654 1.00 2.06 H new ATOM 234 N GLY A 17 111.364 4.325 27.958 1.00 1.81 N ATOM 235 CA GLY A 17 111.253 2.991 27.299 1.00 1.74 C ATOM 236 C GLY A 17 112.333 2.813 26.235 1.00 1.78 C ATOM 237 O GLY A 17 112.537 1.726 25.734 1.00 1.80 O ATOM 0 H GLY A 17 110.483 4.830 28.051 1.00 1.81 H new ATOM 0 HA2 GLY A 17 111.342 2.204 28.047 1.00 1.74 H new ATOM 0 HA3 GLY A 17 110.268 2.888 26.843 1.00 1.74 H new ATOM 241 N ALA A 18 113.027 3.859 25.877 1.00 1.84 N ATOM 242 CA ALA A 18 114.091 3.724 24.840 1.00 1.96 C ATOM 243 C ALA A 18 114.948 2.492 25.139 1.00 2.07 C ATOM 244 O ALA A 18 115.683 2.015 24.298 1.00 2.21 O ATOM 245 CB ALA A 18 114.974 4.976 24.845 1.00 2.09 C ATOM 0 H ALA A 18 112.904 4.798 26.256 1.00 1.84 H new ATOM 0 HA ALA A 18 113.627 3.612 23.860 1.00 1.96 H new ATOM 0 HB1 ALA A 18 115.751 4.876 24.087 1.00 2.09 H new ATOM 0 HB2 ALA A 18 114.364 5.852 24.626 1.00 2.09 H new ATOM 0 HB3 ALA A 18 115.436 5.091 25.825 1.00 2.09 H new ATOM 251 N HIS A 19 114.855 1.975 26.335 1.00 2.06 N ATOM 252 CA HIS A 19 115.657 0.774 26.702 1.00 2.21 C ATOM 253 C HIS A 19 114.823 -0.494 26.482 1.00 2.15 C ATOM 254 O HIS A 19 115.277 -1.443 25.873 1.00 2.33 O ATOM 255 CB HIS A 19 116.067 0.878 28.176 1.00 2.33 C ATOM 256 CG HIS A 19 116.717 -0.406 28.622 1.00 2.51 C ATOM 257 ND1 HIS A 19 117.622 -1.093 27.828 1.00 2.79 N ATOM 258 CD2 HIS A 19 116.602 -1.137 29.778 1.00 2.86 C ATOM 259 CE1 HIS A 19 118.013 -2.185 28.512 1.00 2.87 C ATOM 260 NE2 HIS A 19 117.422 -2.259 29.706 1.00 2.87 N ATOM 0 H HIS A 19 114.255 2.336 27.077 1.00 2.06 H new ATOM 0 HA HIS A 19 116.548 0.723 26.077 1.00 2.21 H new ATOM 0 HB2 HIS A 19 116.757 1.711 28.312 1.00 2.33 H new ATOM 0 HB3 HIS A 19 115.192 1.085 28.792 1.00 2.33 H new ATOM 0 HD2 HIS A 19 115.971 -0.880 30.616 1.00 2.86 H new ATOM 0 HE1 HIS A 19 118.719 -2.912 28.139 1.00 2.87 H new ATOM 0 HE2 HIS A 19 117.545 -2.983 30.414 1.00 2.87 H new ATOM 268 N LYS A 20 113.609 -0.528 26.972 1.00 2.02 N ATOM 269 CA LYS A 20 112.772 -1.746 26.779 1.00 2.01 C ATOM 270 C LYS A 20 112.342 -1.841 25.315 1.00 1.90 C ATOM 271 O LYS A 20 111.888 -2.872 24.858 1.00 1.96 O ATOM 272 CB LYS A 20 111.537 -1.677 27.692 1.00 1.99 C ATOM 273 CG LYS A 20 110.537 -0.603 27.190 1.00 1.81 C ATOM 274 CD LYS A 20 109.399 -1.256 26.387 1.00 1.74 C ATOM 275 CE LYS A 20 108.712 -0.211 25.487 1.00 1.58 C ATOM 276 NZ LYS A 20 108.869 1.152 26.067 1.00 1.94 N ATOM 0 H LYS A 20 113.166 0.229 27.493 1.00 2.02 H new ATOM 0 HA LYS A 20 113.351 -2.632 27.038 1.00 2.01 H new ATOM 0 HB2 LYS A 20 111.047 -2.650 27.722 1.00 1.99 H new ATOM 0 HB3 LYS A 20 111.846 -1.444 28.711 1.00 1.99 H new ATOM 0 HG2 LYS A 20 110.124 -0.058 28.039 1.00 1.81 H new ATOM 0 HG3 LYS A 20 111.058 0.124 26.567 1.00 1.81 H new ATOM 0 HD2 LYS A 20 109.795 -2.068 25.777 1.00 1.74 H new ATOM 0 HD3 LYS A 20 108.670 -1.695 27.068 1.00 1.74 H new ATOM 0 HE2 LYS A 20 109.145 -0.241 24.487 1.00 1.58 H new ATOM 0 HE3 LYS A 20 107.654 -0.450 25.383 1.00 1.58 H new ATOM 0 HZ1 LYS A 20 108.044 1.733 25.816 1.00 1.94 H new ATOM 0 HZ2 LYS A 20 108.942 1.083 27.102 1.00 1.94 H new ATOM 0 HZ3 LYS A 20 109.731 1.593 25.688 1.00 1.94 H new ATOM 290 N VAL A 21 112.491 -0.780 24.569 1.00 1.80 N ATOM 291 CA VAL A 21 112.100 -0.825 23.132 1.00 1.71 C ATOM 292 C VAL A 21 113.064 -1.750 22.393 1.00 1.76 C ATOM 293 O VAL A 21 114.220 -1.436 22.193 1.00 1.81 O ATOM 294 CB VAL A 21 112.150 0.591 22.537 1.00 1.64 C ATOM 295 CG1 VAL A 21 112.101 0.524 21.006 1.00 2.07 C ATOM 296 CG2 VAL A 21 110.949 1.393 23.040 1.00 1.75 C ATOM 0 H VAL A 21 112.865 0.112 24.891 1.00 1.80 H new ATOM 0 HA VAL A 21 111.083 -1.204 23.030 1.00 1.71 H new ATOM 0 HB VAL A 21 113.078 1.072 22.845 1.00 1.64 H new ATOM 0 HG11 VAL A 21 112.137 1.533 20.596 1.00 2.07 H new ATOM 0 HG12 VAL A 21 112.954 -0.047 20.639 1.00 2.07 H new ATOM 0 HG13 VAL A 21 111.177 0.038 20.692 1.00 2.07 H new ATOM 0 HG21 VAL A 21 110.981 2.398 22.620 1.00 1.75 H new ATOM 0 HG22 VAL A 21 110.027 0.900 22.731 1.00 1.75 H new ATOM 0 HG23 VAL A 21 110.981 1.453 24.128 1.00 1.75 H new ATOM 306 N ARG A 22 112.583 -2.896 21.997 1.00 1.78 N ATOM 307 CA ARG A 22 113.434 -3.885 21.275 1.00 1.85 C ATOM 308 C ARG A 22 112.920 -4.038 19.845 1.00 1.74 C ATOM 309 O ARG A 22 111.732 -4.099 19.604 1.00 1.66 O ATOM 310 CB ARG A 22 113.335 -5.224 22.016 1.00 1.96 C ATOM 311 CG ARG A 22 114.164 -6.316 21.305 1.00 2.03 C ATOM 312 CD ARG A 22 115.684 -6.040 21.448 1.00 2.18 C ATOM 313 NE ARG A 22 116.395 -7.273 21.932 1.00 2.75 N ATOM 314 CZ ARG A 22 116.040 -7.886 23.032 1.00 3.10 C ATOM 315 NH1 ARG A 22 115.098 -7.393 23.790 1.00 3.50 N ATOM 316 NH2 ARG A 22 116.649 -8.986 23.387 1.00 3.33 N ATOM 0 H ARG A 22 111.619 -3.194 22.146 1.00 1.78 H new ATOM 0 HA ARG A 22 114.472 -3.554 21.242 1.00 1.85 H new ATOM 0 HB2 ARG A 22 113.689 -5.103 23.040 1.00 1.96 H new ATOM 0 HB3 ARG A 22 112.292 -5.535 22.074 1.00 1.96 H new ATOM 0 HG2 ARG A 22 113.926 -7.292 21.729 1.00 2.03 H new ATOM 0 HG3 ARG A 22 113.895 -6.353 20.249 1.00 2.03 H new ATOM 0 HD2 ARG A 22 116.096 -5.728 20.488 1.00 2.18 H new ATOM 0 HD3 ARG A 22 115.847 -5.220 22.147 1.00 2.18 H new ATOM 0 HE ARG A 22 117.175 -7.642 21.388 1.00 2.75 H new ATOM 0 HH11 ARG A 22 114.633 -6.524 23.526 1.00 3.50 H new ATOM 0 HH12 ARG A 22 114.827 -7.877 24.646 1.00 3.50 H new ATOM 0 HH21 ARG A 22 117.398 -9.364 22.807 1.00 3.33 H new ATOM 0 HH22 ARG A 22 116.375 -9.467 24.244 1.00 3.33 H new ATOM 330 N ALA A 23 113.813 -4.110 18.895 1.00 1.77 N ATOM 331 CA ALA A 23 113.394 -4.270 17.473 1.00 1.68 C ATOM 332 C ALA A 23 114.452 -5.092 16.738 1.00 1.77 C ATOM 333 O ALA A 23 115.574 -4.662 16.561 1.00 1.83 O ATOM 334 CB ALA A 23 113.268 -2.893 16.818 1.00 1.59 C ATOM 0 H ALA A 23 114.821 -4.065 19.044 1.00 1.77 H new ATOM 0 HA ALA A 23 112.431 -4.778 17.425 1.00 1.68 H new ATOM 0 HB1 ALA A 23 112.962 -3.011 15.779 1.00 1.59 H new ATOM 0 HB2 ALA A 23 112.522 -2.303 17.351 1.00 1.59 H new ATOM 0 HB3 ALA A 23 114.230 -2.382 16.857 1.00 1.59 H new ATOM 340 N GLY A 24 114.104 -6.277 16.315 1.00 1.80 N ATOM 341 CA GLY A 24 115.090 -7.136 15.598 1.00 1.90 C ATOM 342 C GLY A 24 114.350 -8.071 14.641 1.00 1.86 C ATOM 343 O GLY A 24 113.387 -8.715 15.007 1.00 1.86 O ATOM 0 H GLY A 24 113.178 -6.688 16.435 1.00 1.80 H new ATOM 0 HA2 GLY A 24 115.795 -6.515 15.045 1.00 1.90 H new ATOM 0 HA3 GLY A 24 115.671 -7.717 16.314 1.00 1.90 H new ATOM 347 N GLY A 25 114.790 -8.151 13.416 1.00 1.85 N ATOM 348 CA GLY A 25 114.109 -9.044 12.438 1.00 1.84 C ATOM 349 C GLY A 25 114.847 -8.992 11.099 1.00 1.84 C ATOM 350 O GLY A 25 115.860 -8.336 10.962 1.00 1.84 O ATOM 0 H GLY A 25 115.591 -7.637 13.050 1.00 1.85 H new ATOM 0 HA2 GLY A 25 114.090 -10.066 12.815 1.00 1.84 H new ATOM 0 HA3 GLY A 25 113.073 -8.733 12.306 1.00 1.84 H new ATOM 354 N THR A 26 114.345 -9.676 10.109 1.00 1.86 N ATOM 355 CA THR A 26 115.017 -9.664 8.779 1.00 1.87 C ATOM 356 C THR A 26 114.650 -8.378 8.044 1.00 1.75 C ATOM 357 O THR A 26 115.470 -7.771 7.380 1.00 1.76 O ATOM 358 CB THR A 26 114.551 -10.870 7.966 1.00 1.96 C ATOM 359 OG1 THR A 26 115.299 -10.945 6.760 1.00 2.31 O ATOM 360 CG2 THR A 26 113.062 -10.733 7.642 1.00 2.29 C ATOM 0 H THR A 26 113.499 -10.243 10.163 1.00 1.86 H new ATOM 0 HA THR A 26 116.098 -9.713 8.911 1.00 1.87 H new ATOM 0 HB THR A 26 114.707 -11.779 8.547 1.00 1.96 H new ATOM 0 HG1 THR A 26 115.002 -11.720 6.238 1.00 2.31 H new ATOM 0 HG21 THR A 26 112.735 -11.596 7.062 1.00 2.29 H new ATOM 0 HG22 THR A 26 112.491 -10.681 8.569 1.00 2.29 H new ATOM 0 HG23 THR A 26 112.898 -9.824 7.064 1.00 2.29 H new ATOM 368 N GLY A 27 113.427 -7.949 8.169 1.00 1.64 N ATOM 369 CA GLY A 27 113.016 -6.695 7.492 1.00 1.54 C ATOM 370 C GLY A 27 113.886 -5.566 8.031 1.00 1.50 C ATOM 371 O GLY A 27 113.855 -4.451 7.551 1.00 1.46 O ATOM 0 H GLY A 27 112.697 -8.413 8.710 1.00 1.64 H new ATOM 0 HA2 GLY A 27 113.136 -6.787 6.413 1.00 1.54 H new ATOM 0 HA3 GLY A 27 111.962 -6.488 7.679 1.00 1.54 H new ATOM 375 N LEU A 28 114.677 -5.865 9.030 1.00 1.57 N ATOM 376 CA LEU A 28 115.580 -4.834 9.622 1.00 1.59 C ATOM 377 C LEU A 28 116.980 -5.032 9.039 1.00 1.69 C ATOM 378 O LEU A 28 117.972 -4.655 9.631 1.00 1.83 O ATOM 379 CB LEU A 28 115.620 -5.010 11.153 1.00 1.65 C ATOM 380 CG LEU A 28 114.523 -4.168 11.829 1.00 1.58 C ATOM 381 CD1 LEU A 28 114.469 -4.530 13.320 1.00 1.66 C ATOM 382 CD2 LEU A 28 114.819 -2.657 11.670 1.00 1.61 C ATOM 0 H LEU A 28 114.736 -6.786 9.464 1.00 1.57 H new ATOM 0 HA LEU A 28 115.219 -3.832 9.391 1.00 1.59 H new ATOM 0 HB2 LEU A 28 115.485 -6.062 11.406 1.00 1.65 H new ATOM 0 HB3 LEU A 28 116.598 -4.713 11.532 1.00 1.65 H new ATOM 0 HG LEU A 28 113.565 -4.381 11.355 1.00 1.58 H new ATOM 0 HD11 LEU A 28 113.695 -3.939 13.810 1.00 1.66 H new ATOM 0 HD12 LEU A 28 114.240 -5.590 13.429 1.00 1.66 H new ATOM 0 HD13 LEU A 28 115.434 -4.318 13.781 1.00 1.66 H new ATOM 0 HD21 LEU A 28 114.032 -2.079 12.155 1.00 1.61 H new ATOM 0 HD22 LEU A 28 115.778 -2.423 12.133 1.00 1.61 H new ATOM 0 HD23 LEU A 28 114.856 -2.403 10.611 1.00 1.61 H new ATOM 394 N GLU A 29 117.062 -5.627 7.877 1.00 1.73 N ATOM 395 CA GLU A 29 118.388 -5.865 7.233 1.00 1.84 C ATOM 396 C GLU A 29 118.291 -5.526 5.744 1.00 1.75 C ATOM 397 O GLU A 29 119.211 -4.987 5.162 1.00 1.78 O ATOM 398 CB GLU A 29 118.775 -7.337 7.401 1.00 2.00 C ATOM 399 CG GLU A 29 118.513 -7.774 8.845 1.00 2.06 C ATOM 400 CD GLU A 29 119.093 -9.172 9.070 1.00 1.98 C ATOM 401 OE1 GLU A 29 120.212 -9.403 8.643 1.00 2.21 O ATOM 402 OE2 GLU A 29 118.407 -9.987 9.665 1.00 2.34 O ATOM 0 H GLU A 29 116.260 -5.961 7.342 1.00 1.73 H new ATOM 0 HA GLU A 29 119.145 -5.236 7.701 1.00 1.84 H new ATOM 0 HB2 GLU A 29 118.199 -7.956 6.713 1.00 2.00 H new ATOM 0 HB3 GLU A 29 119.827 -7.478 7.153 1.00 2.00 H new ATOM 0 HG2 GLU A 29 118.966 -7.065 9.538 1.00 2.06 H new ATOM 0 HG3 GLU A 29 117.442 -7.777 9.046 1.00 2.06 H new ATOM 409 N ARG A 30 117.183 -5.833 5.119 1.00 1.69 N ATOM 410 CA ARG A 30 117.045 -5.517 3.668 1.00 1.64 C ATOM 411 C ARG A 30 115.627 -5.846 3.187 1.00 1.59 C ATOM 412 O ARG A 30 114.856 -6.487 3.872 1.00 1.61 O ATOM 413 CB ARG A 30 118.063 -6.338 2.865 1.00 1.75 C ATOM 414 CG ARG A 30 118.103 -7.777 3.395 1.00 2.21 C ATOM 415 CD ARG A 30 119.071 -8.619 2.551 1.00 2.47 C ATOM 416 NE ARG A 30 118.660 -10.060 2.600 1.00 2.96 N ATOM 417 CZ ARG A 30 118.449 -10.670 3.737 1.00 3.36 C ATOM 418 NH1 ARG A 30 118.776 -10.103 4.866 1.00 3.77 N ATOM 419 NH2 ARG A 30 117.963 -11.881 3.740 1.00 3.76 N ATOM 0 H ARG A 30 116.375 -6.285 5.547 1.00 1.69 H new ATOM 0 HA ARG A 30 117.232 -4.454 3.518 1.00 1.64 H new ATOM 0 HB2 ARG A 30 117.793 -6.337 1.809 1.00 1.75 H new ATOM 0 HB3 ARG A 30 119.051 -5.885 2.942 1.00 1.75 H new ATOM 0 HG2 ARG A 30 118.419 -7.781 4.438 1.00 2.21 H new ATOM 0 HG3 ARG A 30 117.105 -8.213 3.363 1.00 2.21 H new ATOM 0 HD2 ARG A 30 119.072 -8.266 1.520 1.00 2.47 H new ATOM 0 HD3 ARG A 30 120.088 -8.508 2.927 1.00 2.47 H new ATOM 0 HE ARG A 30 118.542 -10.575 1.728 1.00 2.96 H new ATOM 0 HH11 ARG A 30 119.200 -9.175 4.867 1.00 3.77 H new ATOM 0 HH12 ARG A 30 118.607 -10.587 5.748 1.00 3.77 H new ATOM 0 HH21 ARG A 30 117.750 -12.347 2.858 1.00 3.76 H new ATOM 0 HH22 ARG A 30 117.796 -12.362 4.624 1.00 3.76 H new ATOM 433 N GLY A 31 115.290 -5.412 2.000 1.00 1.54 N ATOM 434 CA GLY A 31 113.938 -5.686 1.434 1.00 1.52 C ATOM 435 C GLY A 31 114.084 -5.794 -0.080 1.00 1.55 C ATOM 436 O GLY A 31 115.167 -5.621 -0.606 1.00 1.57 O ATOM 0 H GLY A 31 115.905 -4.872 1.391 1.00 1.54 H new ATOM 0 HA2 GLY A 31 113.531 -6.609 1.846 1.00 1.52 H new ATOM 0 HA3 GLY A 31 113.244 -4.887 1.696 1.00 1.52 H new ATOM 440 N VAL A 32 113.023 -6.085 -0.795 1.00 1.56 N ATOM 441 CA VAL A 32 113.136 -6.209 -2.287 1.00 1.60 C ATOM 442 C VAL A 32 111.990 -5.465 -2.991 1.00 1.53 C ATOM 443 O VAL A 32 110.906 -5.309 -2.465 1.00 1.50 O ATOM 444 CB VAL A 32 113.127 -7.696 -2.653 1.00 1.75 C ATOM 445 CG1 VAL A 32 112.932 -7.879 -4.163 1.00 1.80 C ATOM 446 CG2 VAL A 32 114.454 -8.334 -2.232 1.00 1.83 C ATOM 0 H VAL A 32 112.089 -6.241 -0.415 1.00 1.56 H new ATOM 0 HA VAL A 32 114.068 -5.753 -2.621 1.00 1.60 H new ATOM 0 HB VAL A 32 112.301 -8.178 -2.131 1.00 1.75 H new ATOM 0 HG11 VAL A 32 112.928 -8.942 -4.403 1.00 1.80 H new ATOM 0 HG12 VAL A 32 111.983 -7.436 -4.464 1.00 1.80 H new ATOM 0 HG13 VAL A 32 113.746 -7.389 -4.697 1.00 1.80 H new ATOM 0 HG21 VAL A 32 114.448 -9.392 -2.492 1.00 1.83 H new ATOM 0 HG22 VAL A 32 115.276 -7.838 -2.748 1.00 1.83 H new ATOM 0 HG23 VAL A 32 114.584 -8.226 -1.155 1.00 1.83 H new ATOM 456 N ALA A 33 112.255 -4.995 -4.184 1.00 1.51 N ATOM 457 CA ALA A 33 111.236 -4.235 -4.976 1.00 1.46 C ATOM 458 C ALA A 33 109.822 -4.839 -4.849 1.00 1.53 C ATOM 459 O ALA A 33 109.533 -5.895 -5.376 1.00 1.64 O ATOM 460 CB ALA A 33 111.665 -4.236 -6.464 1.00 1.51 C ATOM 0 H ALA A 33 113.154 -5.108 -4.653 1.00 1.51 H new ATOM 0 HA ALA A 33 111.190 -3.220 -4.581 1.00 1.46 H new ATOM 0 HB1 ALA A 33 110.932 -3.686 -7.054 1.00 1.51 H new ATOM 0 HB2 ALA A 33 112.641 -3.760 -6.562 1.00 1.51 H new ATOM 0 HB3 ALA A 33 111.724 -5.263 -6.825 1.00 1.51 H new ATOM 466 N GLY A 34 108.936 -4.134 -4.199 1.00 1.46 N ATOM 467 CA GLY A 34 107.523 -4.597 -4.077 1.00 1.52 C ATOM 468 C GLY A 34 107.445 -5.992 -3.471 1.00 1.62 C ATOM 469 O GLY A 34 106.772 -6.858 -3.994 1.00 1.73 O ATOM 0 H GLY A 34 109.134 -3.244 -3.741 1.00 1.46 H new ATOM 0 HA2 GLY A 34 106.962 -3.898 -3.457 1.00 1.52 H new ATOM 0 HA3 GLY A 34 107.053 -4.599 -5.061 1.00 1.52 H new ATOM 473 N VAL A 35 108.106 -6.214 -2.364 1.00 1.59 N ATOM 474 CA VAL A 35 108.052 -7.554 -1.701 1.00 1.69 C ATOM 475 C VAL A 35 107.650 -7.348 -0.219 1.00 1.61 C ATOM 476 O VAL A 35 108.314 -6.599 0.470 1.00 1.55 O ATOM 477 CB VAL A 35 109.439 -8.207 -1.789 1.00 1.77 C ATOM 478 CG1 VAL A 35 109.531 -9.389 -0.818 1.00 2.04 C ATOM 479 CG2 VAL A 35 109.663 -8.711 -3.219 1.00 2.19 C ATOM 0 H VAL A 35 108.684 -5.522 -1.888 1.00 1.59 H new ATOM 0 HA VAL A 35 107.323 -8.201 -2.190 1.00 1.69 H new ATOM 0 HB VAL A 35 110.199 -7.471 -1.525 1.00 1.77 H new ATOM 0 HG11 VAL A 35 110.519 -9.843 -0.890 1.00 2.04 H new ATOM 0 HG12 VAL A 35 109.367 -9.037 0.200 1.00 2.04 H new ATOM 0 HG13 VAL A 35 108.772 -10.129 -1.073 1.00 2.04 H new ATOM 0 HG21 VAL A 35 110.646 -9.176 -3.291 1.00 2.19 H new ATOM 0 HG22 VAL A 35 108.896 -9.443 -3.471 1.00 2.19 H new ATOM 0 HG23 VAL A 35 109.607 -7.873 -3.913 1.00 2.19 H new ATOM 489 N PRO A 36 106.586 -7.989 0.256 1.00 1.67 N ATOM 490 CA PRO A 36 106.171 -7.806 1.660 1.00 1.61 C ATOM 491 C PRO A 36 107.323 -8.178 2.601 1.00 1.61 C ATOM 492 O PRO A 36 107.940 -9.215 2.462 1.00 1.74 O ATOM 493 CB PRO A 36 104.953 -8.744 1.851 1.00 1.76 C ATOM 494 CG PRO A 36 104.672 -9.429 0.483 1.00 1.96 C ATOM 495 CD PRO A 36 105.729 -8.918 -0.522 1.00 1.85 C ATOM 0 HA PRO A 36 105.909 -6.773 1.888 1.00 1.61 H new ATOM 0 HB2 PRO A 36 105.160 -9.490 2.618 1.00 1.76 H new ATOM 0 HB3 PRO A 36 104.082 -8.179 2.183 1.00 1.76 H new ATOM 0 HG2 PRO A 36 104.728 -10.513 0.579 1.00 1.96 H new ATOM 0 HG3 PRO A 36 103.667 -9.191 0.135 1.00 1.96 H new ATOM 0 HD2 PRO A 36 106.313 -9.742 -0.933 1.00 1.85 H new ATOM 0 HD3 PRO A 36 105.259 -8.409 -1.364 1.00 1.85 H new ATOM 503 N ALA A 37 107.611 -7.334 3.562 1.00 1.53 N ATOM 504 CA ALA A 37 108.722 -7.629 4.526 1.00 1.62 C ATOM 505 C ALA A 37 108.253 -7.297 5.943 1.00 1.53 C ATOM 506 O ALA A 37 107.303 -6.563 6.131 1.00 1.52 O ATOM 507 CB ALA A 37 109.946 -6.778 4.165 1.00 1.69 C ATOM 0 H ALA A 37 107.125 -6.452 3.722 1.00 1.53 H new ATOM 0 HA ALA A 37 108.993 -8.683 4.473 1.00 1.62 H new ATOM 0 HB1 ALA A 37 110.755 -6.990 4.864 1.00 1.69 H new ATOM 0 HB2 ALA A 37 110.269 -7.017 3.152 1.00 1.69 H new ATOM 0 HB3 ALA A 37 109.684 -5.721 4.223 1.00 1.69 H new ATOM 513 N GLU A 38 108.899 -7.835 6.947 1.00 1.50 N ATOM 514 CA GLU A 38 108.460 -7.541 8.343 1.00 1.45 C ATOM 515 C GLU A 38 109.608 -7.717 9.331 1.00 1.50 C ATOM 516 O GLU A 38 110.665 -8.225 9.012 1.00 1.60 O ATOM 517 CB GLU A 38 107.314 -8.493 8.734 1.00 1.54 C ATOM 518 CG GLU A 38 107.863 -9.896 9.041 1.00 1.68 C ATOM 519 CD GLU A 38 106.734 -10.927 8.950 1.00 1.83 C ATOM 520 OE1 GLU A 38 106.383 -11.294 7.841 1.00 2.23 O ATOM 521 OE2 GLU A 38 106.240 -11.330 9.990 1.00 2.12 O ATOM 0 H GLU A 38 109.702 -8.458 6.862 1.00 1.50 H new ATOM 0 HA GLU A 38 108.123 -6.505 8.380 1.00 1.45 H new ATOM 0 HB2 GLU A 38 106.790 -8.102 9.606 1.00 1.54 H new ATOM 0 HB3 GLU A 38 106.587 -8.549 7.924 1.00 1.54 H new ATOM 0 HG2 GLU A 38 108.656 -10.148 8.337 1.00 1.68 H new ATOM 0 HG3 GLU A 38 108.304 -9.914 10.037 1.00 1.68 H new ATOM 528 N PHE A 39 109.370 -7.318 10.545 1.00 1.46 N ATOM 529 CA PHE A 39 110.384 -7.463 11.613 1.00 1.54 C ATOM 530 C PHE A 39 109.641 -7.471 12.944 1.00 1.53 C ATOM 531 O PHE A 39 108.475 -7.135 13.012 1.00 1.50 O ATOM 532 CB PHE A 39 111.408 -6.322 11.558 1.00 1.54 C ATOM 533 CG PHE A 39 110.747 -4.988 11.827 1.00 1.31 C ATOM 534 CD1 PHE A 39 109.829 -4.466 10.912 1.00 1.36 C ATOM 535 CD2 PHE A 39 111.073 -4.261 12.979 1.00 1.34 C ATOM 536 CE1 PHE A 39 109.232 -3.223 11.146 1.00 1.32 C ATOM 537 CE2 PHE A 39 110.481 -3.016 13.212 1.00 1.37 C ATOM 538 CZ PHE A 39 109.559 -2.497 12.296 1.00 1.30 C ATOM 0 H PHE A 39 108.495 -6.888 10.846 1.00 1.46 H new ATOM 0 HA PHE A 39 110.944 -8.390 11.485 1.00 1.54 H new ATOM 0 HB2 PHE A 39 112.194 -6.498 12.293 1.00 1.54 H new ATOM 0 HB3 PHE A 39 111.886 -6.304 10.579 1.00 1.54 H new ATOM 0 HD1 PHE A 39 109.580 -5.024 10.022 1.00 1.36 H new ATOM 0 HD2 PHE A 39 111.782 -4.662 13.688 1.00 1.34 H new ATOM 0 HE1 PHE A 39 108.519 -2.824 10.439 1.00 1.32 H new ATOM 0 HE2 PHE A 39 110.735 -2.455 14.099 1.00 1.37 H new ATOM 0 HZ PHE A 39 109.100 -1.536 12.477 1.00 1.30 H new ATOM 548 N SER A 40 110.282 -7.889 13.991 1.00 1.60 N ATOM 549 CA SER A 40 109.593 -7.967 15.316 1.00 1.61 C ATOM 550 C SER A 40 109.873 -6.722 16.162 1.00 1.59 C ATOM 551 O SER A 40 110.882 -6.061 16.012 1.00 1.64 O ATOM 552 CB SER A 40 110.096 -9.200 16.067 1.00 1.73 C ATOM 553 OG SER A 40 111.446 -8.992 16.460 1.00 2.37 O ATOM 0 H SER A 40 111.259 -8.183 13.994 1.00 1.60 H new ATOM 0 HA SER A 40 108.519 -8.032 15.142 1.00 1.61 H new ATOM 0 HB2 SER A 40 109.474 -9.385 16.943 1.00 1.73 H new ATOM 0 HB3 SER A 40 110.022 -10.082 15.431 1.00 1.73 H new ATOM 0 HG SER A 40 112.044 -9.261 15.731 1.00 2.37 H new ATOM 559 N ILE A 41 108.982 -6.423 17.073 1.00 1.54 N ATOM 560 CA ILE A 41 109.158 -5.249 17.977 1.00 1.54 C ATOM 561 C ILE A 41 108.542 -5.613 19.330 1.00 1.60 C ATOM 562 O ILE A 41 107.346 -5.525 19.523 1.00 1.65 O ATOM 563 CB ILE A 41 108.450 -4.012 17.397 1.00 1.45 C ATOM 564 CG1 ILE A 41 109.276 -3.449 16.230 1.00 1.47 C ATOM 565 CG2 ILE A 41 108.312 -2.933 18.483 1.00 1.50 C ATOM 566 CD1 ILE A 41 108.517 -2.312 15.521 1.00 1.34 C ATOM 0 H ILE A 41 108.125 -6.954 17.230 1.00 1.54 H new ATOM 0 HA ILE A 41 110.216 -5.011 18.084 1.00 1.54 H new ATOM 0 HB ILE A 41 107.460 -4.300 17.044 1.00 1.45 H new ATOM 0 HG12 ILE A 41 110.232 -3.078 16.601 1.00 1.47 H new ATOM 0 HG13 ILE A 41 109.497 -4.244 15.518 1.00 1.47 H new ATOM 0 HG21 ILE A 41 107.810 -2.060 18.067 1.00 1.50 H new ATOM 0 HG22 ILE A 41 107.726 -3.326 19.314 1.00 1.50 H new ATOM 0 HG23 ILE A 41 109.302 -2.647 18.840 1.00 1.50 H new ATOM 0 HD11 ILE A 41 109.121 -1.929 14.698 1.00 1.34 H new ATOM 0 HD12 ILE A 41 107.573 -2.692 15.131 1.00 1.34 H new ATOM 0 HD13 ILE A 41 108.319 -1.509 16.231 1.00 1.34 H new ATOM 578 N TRP A 42 109.344 -6.034 20.263 1.00 1.65 N ATOM 579 CA TRP A 42 108.801 -6.416 21.597 1.00 1.71 C ATOM 580 C TRP A 42 108.675 -5.159 22.467 1.00 1.77 C ATOM 581 O TRP A 42 109.451 -4.231 22.358 1.00 1.78 O ATOM 582 CB TRP A 42 109.750 -7.456 22.226 1.00 1.88 C ATOM 583 CG TRP A 42 109.723 -7.386 23.725 1.00 2.08 C ATOM 584 CD1 TRP A 42 110.371 -6.462 24.472 1.00 2.66 C ATOM 585 CD2 TRP A 42 109.026 -8.255 24.664 1.00 2.36 C ATOM 586 NE1 TRP A 42 110.116 -6.709 25.809 1.00 2.89 N ATOM 587 CE2 TRP A 42 109.292 -7.804 25.979 1.00 2.64 C ATOM 588 CE3 TRP A 42 108.197 -9.380 24.504 1.00 3.00 C ATOM 589 CZ2 TRP A 42 108.755 -8.446 27.095 1.00 3.08 C ATOM 590 CZ3 TRP A 42 107.655 -10.029 25.626 1.00 3.68 C ATOM 591 CH2 TRP A 42 107.933 -9.562 26.918 1.00 3.56 C ATOM 0 H TRP A 42 110.354 -6.131 20.162 1.00 1.65 H new ATOM 0 HA TRP A 42 107.809 -6.859 21.509 1.00 1.71 H new ATOM 0 HB2 TRP A 42 109.463 -8.456 21.902 1.00 1.88 H new ATOM 0 HB3 TRP A 42 110.766 -7.285 21.871 1.00 1.88 H new ATOM 0 HD1 TRP A 42 110.987 -5.662 24.087 1.00 2.66 H new ATOM 0 HE1 TRP A 42 110.491 -6.150 26.576 1.00 2.89 H new ATOM 0 HE3 TRP A 42 107.976 -9.747 23.513 1.00 3.00 H new ATOM 0 HZ2 TRP A 42 108.973 -8.083 28.089 1.00 3.08 H new ATOM 0 HZ3 TRP A 42 107.021 -10.893 25.492 1.00 3.68 H new ATOM 0 HH2 TRP A 42 107.512 -10.065 27.776 1.00 3.56 H new ATOM 602 N THR A 43 107.687 -5.128 23.320 1.00 1.91 N ATOM 603 CA THR A 43 107.483 -3.940 24.195 1.00 2.07 C ATOM 604 C THR A 43 106.743 -4.373 25.466 1.00 1.92 C ATOM 605 O THR A 43 107.118 -5.329 26.116 1.00 2.17 O ATOM 606 CB THR A 43 106.653 -2.901 23.430 1.00 2.42 C ATOM 607 OG1 THR A 43 106.194 -1.897 24.324 1.00 2.72 O ATOM 608 CG2 THR A 43 105.455 -3.587 22.768 1.00 2.89 C ATOM 0 H THR A 43 107.009 -5.879 23.448 1.00 1.91 H new ATOM 0 HA THR A 43 108.443 -3.504 24.473 1.00 2.07 H new ATOM 0 HB THR A 43 107.275 -2.440 22.663 1.00 2.42 H new ATOM 0 HG1 THR A 43 105.297 -1.607 24.057 1.00 2.72 H new ATOM 0 HG21 THR A 43 104.867 -2.847 22.225 1.00 2.89 H new ATOM 0 HG22 THR A 43 105.810 -4.349 22.074 1.00 2.89 H new ATOM 0 HG23 THR A 43 104.835 -4.054 23.533 1.00 2.89 H new ATOM 616 N ARG A 44 105.697 -3.682 25.824 1.00 1.96 N ATOM 617 CA ARG A 44 104.934 -4.056 27.048 1.00 1.92 C ATOM 618 C ARG A 44 105.878 -4.127 28.252 1.00 1.92 C ATOM 619 O ARG A 44 106.207 -5.192 28.734 1.00 2.18 O ATOM 620 CB ARG A 44 104.268 -5.418 26.840 1.00 2.09 C ATOM 621 CG ARG A 44 103.265 -5.672 27.967 1.00 2.62 C ATOM 622 CD ARG A 44 102.499 -6.966 27.688 1.00 3.00 C ATOM 623 NE ARG A 44 103.394 -8.134 27.922 1.00 3.63 N ATOM 624 CZ ARG A 44 102.886 -9.331 28.043 1.00 4.14 C ATOM 625 NH1 ARG A 44 101.595 -9.503 27.970 1.00 4.51 N ATOM 626 NH2 ARG A 44 103.670 -10.356 28.239 1.00 4.63 N ATOM 0 H ARG A 44 105.336 -2.872 25.320 1.00 1.96 H new ATOM 0 HA ARG A 44 104.171 -3.301 27.237 1.00 1.92 H new ATOM 0 HB2 ARG A 44 103.761 -5.444 25.875 1.00 2.09 H new ATOM 0 HB3 ARG A 44 105.022 -6.205 26.825 1.00 2.09 H new ATOM 0 HG2 ARG A 44 103.786 -5.744 28.922 1.00 2.62 H new ATOM 0 HG3 ARG A 44 102.570 -4.836 28.045 1.00 2.62 H new ATOM 0 HD2 ARG A 44 101.624 -7.030 28.335 1.00 3.00 H new ATOM 0 HD3 ARG A 44 102.137 -6.972 26.660 1.00 3.00 H new ATOM 0 HE ARG A 44 104.403 -7.999 27.988 1.00 3.63 H new ATOM 0 HH11 ARG A 44 100.982 -8.702 27.818 1.00 4.51 H new ATOM 0 HH12 ARG A 44 101.199 -10.438 28.065 1.00 4.51 H new ATOM 0 HH21 ARG A 44 104.679 -10.222 28.298 1.00 4.63 H new ATOM 0 HH22 ARG A 44 103.273 -11.291 28.334 1.00 4.63 H new ATOM 640 N GLU A 45 106.305 -2.998 28.747 1.00 1.87 N ATOM 641 CA GLU A 45 107.215 -2.995 29.928 1.00 1.94 C ATOM 642 C GLU A 45 107.257 -1.581 30.518 1.00 1.84 C ATOM 643 O GLU A 45 106.884 -1.364 31.654 1.00 1.87 O ATOM 644 CB GLU A 45 108.625 -3.441 29.502 1.00 2.09 C ATOM 645 CG GLU A 45 109.361 -4.059 30.697 1.00 2.37 C ATOM 646 CD GLU A 45 110.801 -4.387 30.297 1.00 2.40 C ATOM 647 OE1 GLU A 45 111.643 -3.512 30.418 1.00 2.73 O ATOM 648 OE2 GLU A 45 111.037 -5.507 29.876 1.00 2.89 O ATOM 0 H GLU A 45 106.063 -2.076 28.384 1.00 1.87 H new ATOM 0 HA GLU A 45 106.847 -3.691 30.682 1.00 1.94 H new ATOM 0 HB2 GLU A 45 108.557 -4.166 28.691 1.00 2.09 H new ATOM 0 HB3 GLU A 45 109.186 -2.588 29.120 1.00 2.09 H new ATOM 0 HG2 GLU A 45 109.355 -3.366 31.539 1.00 2.37 H new ATOM 0 HG3 GLU A 45 108.849 -4.963 31.025 1.00 2.37 H new ATOM 655 N ALA A 46 107.695 -0.613 29.755 1.00 1.74 N ATOM 656 CA ALA A 46 107.737 0.778 30.284 1.00 1.71 C ATOM 657 C ALA A 46 106.334 1.169 30.747 1.00 1.64 C ATOM 658 O ALA A 46 106.127 1.570 31.874 1.00 1.71 O ATOM 659 CB ALA A 46 108.207 1.740 29.184 1.00 1.66 C ATOM 0 H ALA A 46 108.023 -0.726 28.796 1.00 1.74 H new ATOM 0 HA ALA A 46 108.433 0.834 31.121 1.00 1.71 H new ATOM 0 HB1 ALA A 46 108.236 2.756 29.577 1.00 1.66 H new ATOM 0 HB2 ALA A 46 109.204 1.452 28.850 1.00 1.66 H new ATOM 0 HB3 ALA A 46 107.516 1.696 28.342 1.00 1.66 H new ATOM 665 N GLY A 47 105.367 1.049 29.878 1.00 1.60 N ATOM 666 CA GLY A 47 103.969 1.406 30.251 1.00 1.58 C ATOM 667 C GLY A 47 103.257 1.999 29.034 1.00 1.42 C ATOM 668 O GLY A 47 103.830 2.124 27.970 1.00 1.37 O ATOM 0 H GLY A 47 105.486 0.717 28.921 1.00 1.60 H new ATOM 0 HA2 GLY A 47 103.437 0.522 30.603 1.00 1.58 H new ATOM 0 HA3 GLY A 47 103.971 2.124 31.071 1.00 1.58 H new ATOM 672 N ALA A 48 102.012 2.364 29.177 1.00 1.40 N ATOM 673 CA ALA A 48 101.271 2.947 28.022 1.00 1.27 C ATOM 674 C ALA A 48 102.059 4.129 27.450 1.00 1.21 C ATOM 675 O ALA A 48 102.942 4.666 28.090 1.00 1.37 O ATOM 676 CB ALA A 48 99.896 3.428 28.491 1.00 1.32 C ATOM 0 H ALA A 48 101.477 2.284 30.042 1.00 1.40 H new ATOM 0 HA ALA A 48 101.148 2.188 27.249 1.00 1.27 H new ATOM 0 HB1 ALA A 48 99.353 3.855 27.648 1.00 1.32 H new ATOM 0 HB2 ALA A 48 99.335 2.586 28.896 1.00 1.32 H new ATOM 0 HB3 ALA A 48 100.020 4.187 29.264 1.00 1.32 H new ATOM 682 N GLY A 49 101.749 4.538 26.248 1.00 1.04 N ATOM 683 CA GLY A 49 102.486 5.684 25.640 1.00 1.02 C ATOM 684 C GLY A 49 102.136 5.787 24.155 1.00 0.87 C ATOM 685 O GLY A 49 101.061 5.401 23.737 1.00 0.71 O ATOM 0 H GLY A 49 101.020 4.130 25.663 1.00 1.04 H new ATOM 0 HA2 GLY A 49 102.224 6.610 26.151 1.00 1.02 H new ATOM 0 HA3 GLY A 49 103.560 5.545 25.762 1.00 1.02 H new ATOM 689 N GLY A 50 103.034 6.308 23.351 1.00 0.98 N ATOM 690 CA GLY A 50 102.756 6.442 21.886 1.00 0.86 C ATOM 691 C GLY A 50 103.965 5.951 21.093 1.00 0.86 C ATOM 692 O GLY A 50 105.068 5.891 21.596 1.00 1.06 O ATOM 0 H GLY A 50 103.949 6.647 23.648 1.00 0.98 H new ATOM 0 HA2 GLY A 50 101.872 5.863 21.618 1.00 0.86 H new ATOM 0 HA3 GLY A 50 102.543 7.482 21.639 1.00 0.86 H new ATOM 696 N LEU A 51 103.761 5.603 19.851 1.00 0.74 N ATOM 697 CA LEU A 51 104.886 5.115 18.996 1.00 0.75 C ATOM 698 C LEU A 51 104.803 5.814 17.647 1.00 0.68 C ATOM 699 O LEU A 51 104.021 5.436 16.804 1.00 0.60 O ATOM 700 CB LEU A 51 104.756 3.597 18.800 1.00 0.74 C ATOM 701 CG LEU A 51 105.998 3.039 18.071 1.00 0.81 C ATOM 702 CD1 LEU A 51 107.119 2.753 19.077 1.00 1.10 C ATOM 703 CD2 LEU A 51 105.632 1.732 17.358 1.00 0.77 C ATOM 0 H LEU A 51 102.854 5.636 19.386 1.00 0.74 H new ATOM 0 HA LEU A 51 105.843 5.332 19.471 1.00 0.75 H new ATOM 0 HB2 LEU A 51 104.644 3.107 19.767 1.00 0.74 H new ATOM 0 HB3 LEU A 51 103.858 3.374 18.224 1.00 0.74 H new ATOM 0 HG LEU A 51 106.338 3.779 17.347 1.00 0.81 H new ATOM 0 HD11 LEU A 51 107.989 2.360 18.551 1.00 1.10 H new ATOM 0 HD12 LEU A 51 107.391 3.675 19.590 1.00 1.10 H new ATOM 0 HD13 LEU A 51 106.775 2.020 19.807 1.00 1.10 H new ATOM 0 HD21 LEU A 51 106.510 1.340 16.844 1.00 0.77 H new ATOM 0 HD22 LEU A 51 105.284 1.003 18.090 1.00 0.77 H new ATOM 0 HD23 LEU A 51 104.842 1.923 16.632 1.00 0.77 H new ATOM 715 N SER A 52 105.608 6.828 17.442 1.00 0.75 N ATOM 716 CA SER A 52 105.593 7.566 16.147 1.00 0.71 C ATOM 717 C SER A 52 106.474 6.817 15.152 1.00 0.70 C ATOM 718 O SER A 52 107.489 6.262 15.531 1.00 0.78 O ATOM 719 CB SER A 52 106.148 8.976 16.359 1.00 0.82 C ATOM 720 OG SER A 52 105.602 9.521 17.554 1.00 1.56 O ATOM 0 H SER A 52 106.280 7.177 18.125 1.00 0.75 H new ATOM 0 HA SER A 52 104.574 7.635 15.766 1.00 0.71 H new ATOM 0 HB2 SER A 52 107.236 8.945 16.423 1.00 0.82 H new ATOM 0 HB3 SER A 52 105.897 9.610 15.509 1.00 0.82 H new ATOM 0 HG SER A 52 105.957 10.424 17.694 1.00 1.56 H new ATOM 726 N ILE A 53 106.109 6.789 13.886 1.00 0.61 N ATOM 727 CA ILE A 53 106.947 6.067 12.883 1.00 0.61 C ATOM 728 C ILE A 53 107.088 6.932 11.629 1.00 0.57 C ATOM 729 O ILE A 53 106.197 6.999 10.806 1.00 0.65 O ATOM 730 CB ILE A 53 106.272 4.741 12.520 1.00 0.56 C ATOM 731 CG1 ILE A 53 105.777 4.060 13.802 1.00 0.64 C ATOM 732 CG2 ILE A 53 107.279 3.834 11.807 1.00 0.63 C ATOM 733 CD1 ILE A 53 105.263 2.653 13.482 1.00 0.64 C ATOM 0 H ILE A 53 105.271 7.234 13.512 1.00 0.61 H new ATOM 0 HA ILE A 53 107.934 5.868 13.301 1.00 0.61 H new ATOM 0 HB ILE A 53 105.426 4.927 11.858 1.00 0.56 H new ATOM 0 HG12 ILE A 53 106.587 4.004 14.530 1.00 0.64 H new ATOM 0 HG13 ILE A 53 104.982 4.652 14.255 1.00 0.64 H new ATOM 0 HG21 ILE A 53 106.799 2.890 11.548 1.00 0.63 H new ATOM 0 HG22 ILE A 53 107.630 4.323 10.899 1.00 0.63 H new ATOM 0 HG23 ILE A 53 108.126 3.642 12.466 1.00 0.63 H new ATOM 0 HD11 ILE A 53 104.913 2.176 14.398 1.00 0.64 H new ATOM 0 HD12 ILE A 53 104.440 2.719 12.770 1.00 0.64 H new ATOM 0 HD13 ILE A 53 106.069 2.061 13.050 1.00 0.64 H new ATOM 745 N ALA A 54 108.204 7.597 11.478 1.00 0.60 N ATOM 746 CA ALA A 54 108.416 8.462 10.280 1.00 0.57 C ATOM 747 C ALA A 54 109.239 7.692 9.251 1.00 0.54 C ATOM 748 O ALA A 54 110.428 7.497 9.407 1.00 0.63 O ATOM 749 CB ALA A 54 109.173 9.725 10.694 1.00 0.69 C ATOM 0 H ALA A 54 108.982 7.578 12.137 1.00 0.60 H new ATOM 0 HA ALA A 54 107.454 8.741 9.850 1.00 0.57 H new ATOM 0 HB1 ALA A 54 109.329 10.358 9.821 1.00 0.69 H new ATOM 0 HB2 ALA A 54 108.592 10.270 11.438 1.00 0.69 H new ATOM 0 HB3 ALA A 54 110.138 9.448 11.118 1.00 0.69 H new ATOM 755 N VAL A 55 108.609 7.251 8.199 1.00 0.45 N ATOM 756 CA VAL A 55 109.332 6.486 7.143 1.00 0.47 C ATOM 757 C VAL A 55 109.706 7.430 5.997 1.00 0.41 C ATOM 758 O VAL A 55 108.970 8.330 5.652 1.00 0.39 O ATOM 759 CB VAL A 55 108.411 5.370 6.609 1.00 0.47 C ATOM 760 CG1 VAL A 55 108.551 4.105 7.467 1.00 0.91 C ATOM 761 CG2 VAL A 55 106.952 5.845 6.653 1.00 0.79 C ATOM 0 H VAL A 55 107.614 7.389 8.023 1.00 0.45 H new ATOM 0 HA VAL A 55 110.238 6.047 7.561 1.00 0.47 H new ATOM 0 HB VAL A 55 108.699 5.141 5.583 1.00 0.47 H new ATOM 0 HG11 VAL A 55 107.895 3.327 7.077 1.00 0.91 H new ATOM 0 HG12 VAL A 55 109.584 3.758 7.437 1.00 0.91 H new ATOM 0 HG13 VAL A 55 108.274 4.331 8.497 1.00 0.91 H new ATOM 0 HG21 VAL A 55 106.301 5.056 6.276 1.00 0.79 H new ATOM 0 HG22 VAL A 55 106.677 6.081 7.681 1.00 0.79 H new ATOM 0 HG23 VAL A 55 106.840 6.735 6.034 1.00 0.79 H new ATOM 771 N GLU A 56 110.844 7.214 5.395 1.00 0.44 N ATOM 772 CA GLU A 56 111.276 8.073 4.255 1.00 0.40 C ATOM 773 C GLU A 56 111.952 7.170 3.213 1.00 0.43 C ATOM 774 O GLU A 56 112.641 6.227 3.547 1.00 0.52 O ATOM 775 CB GLU A 56 112.228 9.174 4.777 1.00 0.47 C ATOM 776 CG GLU A 56 113.207 9.618 3.680 1.00 0.49 C ATOM 777 CD GLU A 56 113.831 10.964 4.056 1.00 1.08 C ATOM 778 OE1 GLU A 56 113.085 11.864 4.405 1.00 1.80 O ATOM 779 OE2 GLU A 56 115.045 11.071 3.989 1.00 1.71 O ATOM 0 H GLU A 56 111.498 6.473 5.646 1.00 0.44 H new ATOM 0 HA GLU A 56 110.428 8.573 3.787 1.00 0.40 H new ATOM 0 HB2 GLU A 56 111.647 10.030 5.120 1.00 0.47 H new ATOM 0 HB3 GLU A 56 112.784 8.801 5.637 1.00 0.47 H new ATOM 0 HG2 GLU A 56 113.988 8.868 3.551 1.00 0.49 H new ATOM 0 HG3 GLU A 56 112.685 9.702 2.727 1.00 0.49 H new ATOM 786 N GLY A 57 111.736 7.439 1.954 1.00 0.41 N ATOM 787 CA GLY A 57 112.341 6.585 0.892 1.00 0.49 C ATOM 788 C GLY A 57 111.715 6.946 -0.463 1.00 0.45 C ATOM 789 O GLY A 57 110.838 7.782 -0.523 1.00 0.44 O ATOM 0 H GLY A 57 111.166 8.214 1.615 1.00 0.41 H new ATOM 0 HA2 GLY A 57 113.420 6.735 0.859 1.00 0.49 H new ATOM 0 HA3 GLY A 57 112.172 5.532 1.115 1.00 0.49 H new ATOM 793 N PRO A 58 112.191 6.320 -1.519 1.00 0.50 N ATOM 794 CA PRO A 58 111.681 6.586 -2.883 1.00 0.52 C ATOM 795 C PRO A 58 110.174 6.362 -2.964 1.00 0.54 C ATOM 796 O PRO A 58 109.514 6.825 -3.874 1.00 0.56 O ATOM 797 CB PRO A 58 112.436 5.596 -3.787 1.00 0.63 C ATOM 798 CG PRO A 58 113.460 4.828 -2.900 1.00 0.66 C ATOM 799 CD PRO A 58 113.267 5.309 -1.445 1.00 0.60 C ATOM 0 HA PRO A 58 111.844 7.621 -3.183 1.00 0.52 H new ATOM 0 HB2 PRO A 58 111.740 4.901 -4.257 1.00 0.63 H new ATOM 0 HB3 PRO A 58 112.948 6.126 -4.590 1.00 0.63 H new ATOM 0 HG2 PRO A 58 113.299 3.752 -2.973 1.00 0.66 H new ATOM 0 HG3 PRO A 58 114.479 5.021 -3.236 1.00 0.66 H new ATOM 0 HD2 PRO A 58 112.989 4.484 -0.789 1.00 0.60 H new ATOM 0 HD3 PRO A 58 114.186 5.738 -1.045 1.00 0.60 H new ATOM 807 N SER A 59 109.626 5.663 -2.026 1.00 0.56 N ATOM 808 CA SER A 59 108.151 5.412 -2.050 1.00 0.60 C ATOM 809 C SER A 59 107.619 5.260 -0.624 1.00 0.55 C ATOM 810 O SER A 59 108.356 4.989 0.303 1.00 0.55 O ATOM 811 CB SER A 59 107.867 4.135 -2.849 1.00 0.71 C ATOM 812 OG SER A 59 107.778 3.030 -1.960 1.00 1.55 O ATOM 0 H SER A 59 110.126 5.250 -1.239 1.00 0.56 H new ATOM 0 HA SER A 59 107.651 6.257 -2.522 1.00 0.60 H new ATOM 0 HB2 SER A 59 106.937 4.242 -3.407 1.00 0.71 H new ATOM 0 HB3 SER A 59 108.659 3.966 -3.578 1.00 0.71 H new ATOM 0 HG SER A 59 108.672 2.804 -1.629 1.00 1.55 H new ATOM 818 N LYS A 60 106.337 5.439 -0.447 1.00 0.59 N ATOM 819 CA LYS A 60 105.739 5.312 0.912 1.00 0.57 C ATOM 820 C LYS A 60 105.561 3.832 1.257 1.00 0.63 C ATOM 821 O LYS A 60 104.707 3.158 0.715 1.00 0.73 O ATOM 822 CB LYS A 60 104.375 6.007 0.931 1.00 0.63 C ATOM 823 CG LYS A 60 104.476 7.350 0.206 1.00 1.23 C ATOM 824 CD LYS A 60 103.158 8.112 0.358 1.00 1.29 C ATOM 825 CE LYS A 60 103.200 9.382 -0.493 1.00 1.87 C ATOM 826 NZ LYS A 60 101.832 9.968 -0.576 1.00 2.53 N ATOM 0 H LYS A 60 105.676 5.669 -1.189 1.00 0.59 H new ATOM 0 HA LYS A 60 106.398 5.777 1.645 1.00 0.57 H new ATOM 0 HB2 LYS A 60 103.627 5.377 0.449 1.00 0.63 H new ATOM 0 HB3 LYS A 60 104.048 6.161 1.959 1.00 0.63 H new ATOM 0 HG2 LYS A 60 105.297 7.937 0.618 1.00 1.23 H new ATOM 0 HG3 LYS A 60 104.696 7.190 -0.849 1.00 1.23 H new ATOM 0 HD2 LYS A 60 102.324 7.482 0.049 1.00 1.29 H new ATOM 0 HD3 LYS A 60 102.993 8.368 1.404 1.00 1.29 H new ATOM 0 HE2 LYS A 60 103.891 10.103 -0.056 1.00 1.87 H new ATOM 0 HE3 LYS A 60 103.570 9.151 -1.492 1.00 1.87 H new ATOM 0 HZ1 LYS A 60 101.859 10.832 -1.154 1.00 2.53 H new ATOM 0 HZ2 LYS A 60 101.185 9.280 -1.011 1.00 2.53 H new ATOM 0 HZ3 LYS A 60 101.496 10.202 0.380 1.00 2.53 H new ATOM 840 N ALA A 61 106.357 3.321 2.154 1.00 0.66 N ATOM 841 CA ALA A 61 106.226 1.886 2.530 1.00 0.76 C ATOM 842 C ALA A 61 104.981 1.698 3.401 1.00 0.77 C ATOM 843 O ALA A 61 104.594 2.576 4.146 1.00 0.78 O ATOM 844 CB ALA A 61 107.466 1.446 3.311 1.00 0.82 C ATOM 0 H ALA A 61 107.091 3.834 2.642 1.00 0.66 H new ATOM 0 HA ALA A 61 106.133 1.282 1.627 1.00 0.76 H new ATOM 0 HB1 ALA A 61 107.369 0.396 3.586 1.00 0.82 H new ATOM 0 HB2 ALA A 61 108.353 1.579 2.691 1.00 0.82 H new ATOM 0 HB3 ALA A 61 107.561 2.050 4.213 1.00 0.82 H new ATOM 850 N GLU A 62 104.351 0.557 3.311 1.00 0.88 N ATOM 851 CA GLU A 62 103.131 0.302 4.132 1.00 0.93 C ATOM 852 C GLU A 62 103.563 -0.210 5.514 1.00 0.96 C ATOM 853 O GLU A 62 104.720 -0.477 5.740 1.00 1.43 O ATOM 854 CB GLU A 62 102.262 -0.753 3.417 1.00 1.11 C ATOM 855 CG GLU A 62 100.780 -0.553 3.760 1.00 1.50 C ATOM 856 CD GLU A 62 100.273 0.732 3.104 1.00 1.72 C ATOM 857 OE1 GLU A 62 100.162 0.750 1.890 1.00 2.14 O ATOM 858 OE2 GLU A 62 100.003 1.677 3.828 1.00 2.30 O ATOM 0 H GLU A 62 104.630 -0.212 2.702 1.00 0.88 H new ATOM 0 HA GLU A 62 102.552 1.217 4.255 1.00 0.93 H new ATOM 0 HB2 GLU A 62 102.405 -0.680 2.339 1.00 1.11 H new ATOM 0 HB3 GLU A 62 102.578 -1.753 3.713 1.00 1.11 H new ATOM 0 HG2 GLU A 62 100.197 -1.406 3.412 1.00 1.50 H new ATOM 0 HG3 GLU A 62 100.650 -0.498 4.841 1.00 1.50 H new ATOM 865 N ILE A 63 102.643 -0.346 6.434 1.00 0.97 N ATOM 866 CA ILE A 63 102.990 -0.844 7.803 1.00 0.94 C ATOM 867 C ILE A 63 101.847 -1.740 8.292 1.00 1.01 C ATOM 868 O ILE A 63 100.696 -1.491 7.993 1.00 1.06 O ATOM 869 CB ILE A 63 103.156 0.346 8.763 1.00 0.89 C ATOM 870 CG1 ILE A 63 104.407 1.166 8.376 1.00 1.06 C ATOM 871 CG2 ILE A 63 103.320 -0.180 10.191 1.00 1.28 C ATOM 872 CD1 ILE A 63 104.118 2.112 7.193 1.00 1.40 C ATOM 0 H ILE A 63 101.655 -0.132 6.295 1.00 0.97 H new ATOM 0 HA ILE A 63 103.924 -1.404 7.772 1.00 0.94 H new ATOM 0 HB ILE A 63 102.275 0.985 8.700 1.00 0.89 H new ATOM 0 HG12 ILE A 63 104.742 1.747 9.235 1.00 1.06 H new ATOM 0 HG13 ILE A 63 105.220 0.489 8.112 1.00 1.06 H new ATOM 0 HG21 ILE A 63 103.438 0.659 10.877 1.00 1.28 H new ATOM 0 HG22 ILE A 63 102.437 -0.755 10.470 1.00 1.28 H new ATOM 0 HG23 ILE A 63 104.201 -0.819 10.244 1.00 1.28 H new ATOM 0 HD11 ILE A 63 105.019 2.673 6.947 1.00 1.40 H new ATOM 0 HD12 ILE A 63 103.807 1.527 6.327 1.00 1.40 H new ATOM 0 HD13 ILE A 63 103.323 2.805 7.467 1.00 1.40 H new ATOM 884 N ALA A 64 102.134 -2.785 9.036 1.00 1.04 N ATOM 885 CA ALA A 64 101.028 -3.668 9.514 1.00 1.13 C ATOM 886 C ALA A 64 101.411 -4.306 10.852 1.00 1.14 C ATOM 887 O ALA A 64 102.326 -5.099 10.930 1.00 1.36 O ATOM 888 CB ALA A 64 100.762 -4.762 8.473 1.00 1.26 C ATOM 0 H ALA A 64 103.072 -3.059 9.327 1.00 1.04 H new ATOM 0 HA ALA A 64 100.125 -3.073 9.652 1.00 1.13 H new ATOM 0 HB1 ALA A 64 99.955 -5.407 8.821 1.00 1.26 H new ATOM 0 HB2 ALA A 64 100.477 -4.302 7.527 1.00 1.26 H new ATOM 0 HB3 ALA A 64 101.665 -5.356 8.330 1.00 1.26 H new ATOM 894 N PHE A 65 100.710 -3.971 11.904 1.00 1.16 N ATOM 895 CA PHE A 65 101.027 -4.561 13.238 1.00 1.16 C ATOM 896 C PHE A 65 100.286 -5.889 13.400 1.00 1.28 C ATOM 897 O PHE A 65 99.136 -6.018 13.027 1.00 1.35 O ATOM 898 CB PHE A 65 100.582 -3.594 14.338 1.00 1.11 C ATOM 899 CG PHE A 65 99.088 -3.394 14.257 1.00 1.20 C ATOM 900 CD1 PHE A 65 98.228 -4.249 14.956 1.00 1.30 C ATOM 901 CD2 PHE A 65 98.563 -2.354 13.481 1.00 1.23 C ATOM 902 CE1 PHE A 65 96.842 -4.063 14.880 1.00 1.43 C ATOM 903 CE2 PHE A 65 97.177 -2.168 13.405 1.00 1.37 C ATOM 904 CZ PHE A 65 96.317 -3.023 14.104 1.00 1.47 C ATOM 0 H PHE A 65 99.930 -3.313 11.896 1.00 1.16 H new ATOM 0 HA PHE A 65 102.101 -4.733 13.313 1.00 1.16 H new ATOM 0 HB2 PHE A 65 100.854 -3.989 15.317 1.00 1.11 H new ATOM 0 HB3 PHE A 65 101.094 -2.638 14.226 1.00 1.11 H new ATOM 0 HD1 PHE A 65 98.633 -5.052 15.554 1.00 1.30 H new ATOM 0 HD2 PHE A 65 99.227 -1.695 12.941 1.00 1.23 H new ATOM 0 HE1 PHE A 65 96.178 -4.722 15.420 1.00 1.43 H new ATOM 0 HE2 PHE A 65 96.772 -1.365 12.807 1.00 1.37 H new ATOM 0 HZ PHE A 65 95.248 -2.880 14.045 1.00 1.47 H new ATOM 914 N GLU A 66 100.935 -6.882 13.956 1.00 1.35 N ATOM 915 CA GLU A 66 100.272 -8.210 14.146 1.00 1.50 C ATOM 916 C GLU A 66 100.691 -8.808 15.489 1.00 1.54 C ATOM 917 O GLU A 66 101.792 -9.298 15.643 1.00 1.61 O ATOM 918 CB GLU A 66 100.697 -9.162 13.025 1.00 1.62 C ATOM 919 CG GLU A 66 100.107 -10.554 13.283 1.00 1.80 C ATOM 920 CD GLU A 66 100.301 -11.426 12.041 1.00 1.94 C ATOM 921 OE1 GLU A 66 99.568 -11.232 11.085 1.00 2.51 O ATOM 922 OE2 GLU A 66 101.179 -12.272 12.067 1.00 2.01 O ATOM 0 H GLU A 66 101.898 -6.830 14.288 1.00 1.35 H new ATOM 0 HA GLU A 66 99.191 -8.073 14.125 1.00 1.50 H new ATOM 0 HB2 GLU A 66 100.354 -8.783 12.062 1.00 1.62 H new ATOM 0 HB3 GLU A 66 101.784 -9.220 12.976 1.00 1.62 H new ATOM 0 HG2 GLU A 66 100.594 -11.014 14.143 1.00 1.80 H new ATOM 0 HG3 GLU A 66 99.047 -10.473 13.522 1.00 1.80 H new ATOM 929 N ASP A 67 99.818 -8.793 16.456 1.00 1.56 N ATOM 930 CA ASP A 67 100.167 -9.386 17.775 1.00 1.64 C ATOM 931 C ASP A 67 100.024 -10.904 17.672 1.00 1.84 C ATOM 932 O ASP A 67 99.061 -11.479 18.138 1.00 2.03 O ATOM 933 CB ASP A 67 99.219 -8.849 18.851 1.00 1.66 C ATOM 934 CG ASP A 67 97.779 -8.900 18.337 1.00 1.66 C ATOM 935 OD1 ASP A 67 97.470 -9.811 17.587 1.00 1.95 O ATOM 936 OD2 ASP A 67 97.009 -8.026 18.702 1.00 2.07 O ATOM 0 H ASP A 67 98.880 -8.397 16.390 1.00 1.56 H new ATOM 0 HA ASP A 67 101.189 -9.123 18.046 1.00 1.64 H new ATOM 0 HB2 ASP A 67 99.312 -9.442 19.761 1.00 1.66 H new ATOM 0 HB3 ASP A 67 99.488 -7.825 19.109 1.00 1.66 H new ATOM 941 N ARG A 68 100.977 -11.558 17.051 1.00 1.89 N ATOM 942 CA ARG A 68 100.906 -13.045 16.895 1.00 2.13 C ATOM 943 C ARG A 68 102.285 -13.650 17.166 1.00 2.20 C ATOM 944 O ARG A 68 102.871 -14.298 16.322 1.00 2.42 O ATOM 945 CB ARG A 68 100.463 -13.391 15.470 1.00 2.38 C ATOM 946 CG ARG A 68 100.115 -14.881 15.385 1.00 2.81 C ATOM 947 CD ARG A 68 99.864 -15.258 13.923 1.00 3.07 C ATOM 948 NE ARG A 68 99.181 -16.592 13.850 1.00 3.54 N ATOM 949 CZ ARG A 68 99.701 -17.661 14.396 1.00 4.11 C ATOM 950 NH1 ARG A 68 100.918 -17.641 14.865 1.00 4.63 N ATOM 951 NH2 ARG A 68 99.018 -18.772 14.420 1.00 4.56 N ATOM 0 H ARG A 68 101.805 -11.123 16.644 1.00 1.89 H new ATOM 0 HA ARG A 68 100.185 -13.452 17.604 1.00 2.13 H new ATOM 0 HB2 ARG A 68 99.598 -12.789 15.191 1.00 2.38 H new ATOM 0 HB3 ARG A 68 101.258 -13.152 14.764 1.00 2.38 H new ATOM 0 HG2 ARG A 68 100.929 -15.480 15.793 1.00 2.81 H new ATOM 0 HG3 ARG A 68 99.230 -15.095 15.985 1.00 2.81 H new ATOM 0 HD2 ARG A 68 99.248 -14.498 13.443 1.00 3.07 H new ATOM 0 HD3 ARG A 68 100.808 -15.293 13.380 1.00 3.07 H new ATOM 0 HE ARG A 68 98.288 -16.667 13.362 1.00 3.54 H new ATOM 0 HH11 ARG A 68 101.473 -16.787 14.808 1.00 4.63 H new ATOM 0 HH12 ARG A 68 101.315 -18.479 15.289 1.00 4.63 H new ATOM 0 HH21 ARG A 68 98.083 -18.805 14.014 1.00 4.56 H new ATOM 0 HH22 ARG A 68 99.419 -19.608 14.845 1.00 4.56 H new ATOM 965 N LYS A 69 102.809 -13.441 18.343 1.00 2.12 N ATOM 966 CA LYS A 69 104.142 -13.995 18.691 1.00 2.31 C ATOM 967 C LYS A 69 104.150 -14.358 20.172 1.00 2.26 C ATOM 968 O LYS A 69 105.153 -14.773 20.714 1.00 2.46 O ATOM 969 CB LYS A 69 105.206 -12.941 18.429 1.00 2.41 C ATOM 970 CG LYS A 69 105.115 -12.474 16.974 1.00 2.56 C ATOM 971 CD LYS A 69 106.355 -11.652 16.612 1.00 2.70 C ATOM 972 CE LYS A 69 106.386 -11.417 15.099 1.00 3.11 C ATOM 973 NZ LYS A 69 104.994 -11.250 14.594 1.00 3.49 N ATOM 0 H LYS A 69 102.362 -12.903 19.085 1.00 2.12 H new ATOM 0 HA LYS A 69 104.348 -14.879 18.088 1.00 2.31 H new ATOM 0 HB2 LYS A 69 105.069 -12.095 19.103 1.00 2.41 H new ATOM 0 HB3 LYS A 69 106.196 -13.351 18.629 1.00 2.41 H new ATOM 0 HG2 LYS A 69 105.033 -13.335 16.311 1.00 2.56 H new ATOM 0 HG3 LYS A 69 104.216 -11.874 16.831 1.00 2.56 H new ATOM 0 HD2 LYS A 69 106.339 -10.698 17.139 1.00 2.70 H new ATOM 0 HD3 LYS A 69 107.257 -12.176 16.928 1.00 2.70 H new ATOM 0 HE2 LYS A 69 106.976 -10.530 14.870 1.00 3.11 H new ATOM 0 HE3 LYS A 69 106.867 -12.258 14.599 1.00 3.11 H new ATOM 0 HZ1 LYS A 69 105.018 -10.844 13.637 1.00 3.49 H new ATOM 0 HZ2 LYS A 69 104.522 -12.176 14.566 1.00 3.49 H new ATOM 0 HZ3 LYS A 69 104.469 -10.613 15.227 1.00 3.49 H new ATOM 987 N ASP A 70 103.032 -14.195 20.825 1.00 2.12 N ATOM 988 CA ASP A 70 102.941 -14.520 22.277 1.00 2.24 C ATOM 989 C ASP A 70 103.596 -13.404 23.097 1.00 2.16 C ATOM 990 O ASP A 70 103.697 -13.497 24.304 1.00 2.34 O ATOM 991 CB ASP A 70 103.642 -15.864 22.562 1.00 2.58 C ATOM 992 CG ASP A 70 102.977 -16.563 23.754 1.00 2.68 C ATOM 993 OD1 ASP A 70 103.266 -16.180 24.876 1.00 2.89 O ATOM 994 OD2 ASP A 70 102.191 -17.467 23.523 1.00 3.06 O ATOM 0 H ASP A 70 102.168 -13.847 20.410 1.00 2.12 H new ATOM 0 HA ASP A 70 101.892 -14.604 22.560 1.00 2.24 H new ATOM 0 HB2 ASP A 70 103.591 -16.504 21.681 1.00 2.58 H new ATOM 0 HB3 ASP A 70 104.698 -15.695 22.773 1.00 2.58 H new ATOM 999 N GLY A 71 104.040 -12.346 22.467 1.00 2.05 N ATOM 1000 CA GLY A 71 104.672 -11.254 23.259 1.00 2.02 C ATOM 1001 C GLY A 71 105.417 -10.265 22.356 1.00 1.94 C ATOM 1002 O GLY A 71 105.598 -9.118 22.712 1.00 2.16 O ATOM 0 H GLY A 71 103.993 -12.194 21.459 1.00 2.05 H new ATOM 0 HA2 GLY A 71 103.907 -10.725 23.827 1.00 2.02 H new ATOM 0 HA3 GLY A 71 105.366 -11.682 23.982 1.00 2.02 H new ATOM 1006 N SER A 72 105.859 -10.686 21.198 1.00 1.78 N ATOM 1007 CA SER A 72 106.602 -9.745 20.298 1.00 1.72 C ATOM 1008 C SER A 72 105.636 -9.124 19.287 1.00 1.60 C ATOM 1009 O SER A 72 104.817 -9.799 18.697 1.00 1.64 O ATOM 1010 CB SER A 72 107.698 -10.507 19.552 1.00 1.82 C ATOM 1011 OG SER A 72 108.744 -10.832 20.459 1.00 2.20 O ATOM 0 H SER A 72 105.740 -11.632 20.837 1.00 1.78 H new ATOM 0 HA SER A 72 107.052 -8.955 20.899 1.00 1.72 H new ATOM 0 HB2 SER A 72 107.289 -11.415 19.110 1.00 1.82 H new ATOM 0 HB3 SER A 72 108.086 -9.901 18.733 1.00 1.82 H new ATOM 0 HG SER A 72 109.448 -11.322 19.985 1.00 2.20 H new ATOM 1017 N CYS A 73 105.728 -7.836 19.080 1.00 1.50 N ATOM 1018 CA CYS A 73 104.816 -7.169 18.103 1.00 1.40 C ATOM 1019 C CYS A 73 105.397 -7.316 16.694 1.00 1.37 C ATOM 1020 O CYS A 73 106.533 -6.966 16.444 1.00 1.39 O ATOM 1021 CB CYS A 73 104.679 -5.683 18.456 1.00 1.31 C ATOM 1022 SG CYS A 73 103.170 -5.024 17.705 1.00 2.05 S ATOM 0 H CYS A 73 106.394 -7.218 19.544 1.00 1.50 H new ATOM 0 HA CYS A 73 103.832 -7.635 18.142 1.00 1.40 H new ATOM 0 HB2 CYS A 73 104.645 -5.556 19.538 1.00 1.31 H new ATOM 0 HB3 CYS A 73 105.548 -5.131 18.098 1.00 1.31 H new ATOM 0 HG CYS A 73 103.050 -3.765 18.005 1.00 2.05 H new ATOM 1028 N GLY A 74 104.628 -7.837 15.773 1.00 1.39 N ATOM 1029 CA GLY A 74 105.138 -8.017 14.379 1.00 1.38 C ATOM 1030 C GLY A 74 104.678 -6.858 13.497 1.00 1.28 C ATOM 1031 O GLY A 74 103.517 -6.738 13.161 1.00 1.26 O ATOM 0 H GLY A 74 103.668 -8.146 15.925 1.00 1.39 H new ATOM 0 HA2 GLY A 74 106.227 -8.069 14.386 1.00 1.38 H new ATOM 0 HA3 GLY A 74 104.776 -8.961 13.970 1.00 1.38 H new ATOM 1035 N VAL A 75 105.592 -6.015 13.107 1.00 1.25 N ATOM 1036 CA VAL A 75 105.236 -4.859 12.224 1.00 1.16 C ATOM 1037 C VAL A 75 105.590 -5.215 10.783 1.00 1.20 C ATOM 1038 O VAL A 75 106.736 -5.162 10.377 1.00 1.25 O ATOM 1039 CB VAL A 75 106.011 -3.616 12.673 1.00 1.11 C ATOM 1040 CG1 VAL A 75 105.539 -2.401 11.871 1.00 1.31 C ATOM 1041 CG2 VAL A 75 105.753 -3.371 14.170 1.00 1.57 C ATOM 0 H VAL A 75 106.578 -6.074 13.361 1.00 1.25 H new ATOM 0 HA VAL A 75 104.169 -4.647 12.291 1.00 1.16 H new ATOM 0 HB VAL A 75 107.077 -3.770 12.504 1.00 1.11 H new ATOM 0 HG11 VAL A 75 106.091 -1.517 12.191 1.00 1.31 H new ATOM 0 HG12 VAL A 75 105.716 -2.575 10.810 1.00 1.31 H new ATOM 0 HG13 VAL A 75 104.474 -2.245 12.040 1.00 1.31 H new ATOM 0 HG21 VAL A 75 106.303 -2.487 14.494 1.00 1.57 H new ATOM 0 HG22 VAL A 75 104.687 -3.216 14.335 1.00 1.57 H new ATOM 0 HG23 VAL A 75 106.087 -4.236 14.743 1.00 1.57 H new ATOM 1051 N SER A 76 104.605 -5.593 10.011 1.00 1.22 N ATOM 1052 CA SER A 76 104.854 -5.970 8.592 1.00 1.29 C ATOM 1053 C SER A 76 104.739 -4.727 7.710 1.00 1.19 C ATOM 1054 O SER A 76 103.747 -4.028 7.731 1.00 1.20 O ATOM 1055 CB SER A 76 103.827 -7.038 8.166 1.00 1.40 C ATOM 1056 OG SER A 76 102.712 -6.989 9.047 1.00 1.85 O ATOM 0 H SER A 76 103.631 -5.657 10.307 1.00 1.22 H new ATOM 0 HA SER A 76 105.857 -6.382 8.482 1.00 1.29 H new ATOM 0 HB2 SER A 76 103.504 -6.861 7.140 1.00 1.40 H new ATOM 0 HB3 SER A 76 104.282 -8.028 8.190 1.00 1.40 H new ATOM 0 HG SER A 76 102.054 -7.665 8.780 1.00 1.85 H new ATOM 1062 N TYR A 77 105.755 -4.457 6.928 1.00 1.21 N ATOM 1063 CA TYR A 77 105.731 -3.267 6.023 1.00 1.12 C ATOM 1064 C TYR A 77 105.960 -3.740 4.592 1.00 1.20 C ATOM 1065 O TYR A 77 106.226 -4.901 4.351 1.00 1.43 O ATOM 1066 CB TYR A 77 106.845 -2.289 6.424 1.00 1.07 C ATOM 1067 CG TYR A 77 108.196 -2.930 6.229 1.00 1.14 C ATOM 1068 CD1 TYR A 77 108.830 -2.856 4.983 1.00 1.18 C ATOM 1069 CD2 TYR A 77 108.819 -3.584 7.295 1.00 1.33 C ATOM 1070 CE1 TYR A 77 110.090 -3.438 4.805 1.00 1.28 C ATOM 1071 CE2 TYR A 77 110.078 -4.167 7.117 1.00 1.47 C ATOM 1072 CZ TYR A 77 110.714 -4.094 5.873 1.00 1.39 C ATOM 1073 OH TYR A 77 111.957 -4.669 5.698 1.00 1.54 O ATOM 0 H TYR A 77 106.607 -5.015 6.878 1.00 1.21 H new ATOM 0 HA TYR A 77 104.769 -2.761 6.101 1.00 1.12 H new ATOM 0 HB2 TYR A 77 106.775 -1.381 5.825 1.00 1.07 H new ATOM 0 HB3 TYR A 77 106.722 -1.993 7.466 1.00 1.07 H new ATOM 0 HD1 TYR A 77 108.347 -2.350 4.160 1.00 1.18 H new ATOM 0 HD2 TYR A 77 108.329 -3.639 8.256 1.00 1.33 H new ATOM 0 HE1 TYR A 77 110.581 -3.381 3.845 1.00 1.28 H new ATOM 0 HE2 TYR A 77 110.559 -4.674 7.940 1.00 1.47 H new ATOM 0 HH TYR A 77 112.578 -4.316 6.369 1.00 1.54 H new ATOM 1083 N VAL A 78 105.852 -2.856 3.637 1.00 1.13 N ATOM 1084 CA VAL A 78 106.058 -3.265 2.211 1.00 1.21 C ATOM 1085 C VAL A 78 106.791 -2.155 1.455 1.00 1.14 C ATOM 1086 O VAL A 78 106.324 -1.038 1.359 1.00 1.11 O ATOM 1087 CB VAL A 78 104.698 -3.514 1.560 1.00 1.29 C ATOM 1088 CG1 VAL A 78 104.894 -4.177 0.195 1.00 1.81 C ATOM 1089 CG2 VAL A 78 103.855 -4.424 2.459 1.00 1.90 C ATOM 0 H VAL A 78 105.631 -1.870 3.778 1.00 1.13 H new ATOM 0 HA VAL A 78 106.656 -4.176 2.176 1.00 1.21 H new ATOM 0 HB VAL A 78 104.183 -2.563 1.427 1.00 1.29 H new ATOM 0 HG11 VAL A 78 103.922 -4.353 -0.267 1.00 1.81 H new ATOM 0 HG12 VAL A 78 105.487 -3.524 -0.445 1.00 1.81 H new ATOM 0 HG13 VAL A 78 105.413 -5.127 0.323 1.00 1.81 H new ATOM 0 HG21 VAL A 78 102.886 -4.600 1.992 1.00 1.90 H new ATOM 0 HG22 VAL A 78 104.369 -5.375 2.598 1.00 1.90 H new ATOM 0 HG23 VAL A 78 103.710 -3.945 3.427 1.00 1.90 H new ATOM 1099 N VAL A 79 107.940 -2.462 0.914 1.00 1.17 N ATOM 1100 CA VAL A 79 108.723 -1.441 0.156 1.00 1.11 C ATOM 1101 C VAL A 79 108.328 -1.494 -1.319 1.00 1.15 C ATOM 1102 O VAL A 79 107.865 -2.505 -1.807 1.00 1.24 O ATOM 1103 CB VAL A 79 110.212 -1.754 0.302 1.00 1.14 C ATOM 1104 CG1 VAL A 79 110.673 -1.390 1.730 1.00 1.13 C ATOM 1105 CG2 VAL A 79 110.435 -3.252 0.047 1.00 1.27 C ATOM 0 H VAL A 79 108.374 -3.384 0.965 1.00 1.17 H new ATOM 0 HA VAL A 79 108.517 -0.445 0.547 1.00 1.11 H new ATOM 0 HB VAL A 79 110.788 -1.173 -0.418 1.00 1.14 H new ATOM 0 HG11 VAL A 79 111.735 -1.612 1.837 1.00 1.13 H new ATOM 0 HG12 VAL A 79 110.505 -0.328 1.907 1.00 1.13 H new ATOM 0 HG13 VAL A 79 110.105 -1.973 2.455 1.00 1.13 H new ATOM 0 HG21 VAL A 79 111.495 -3.485 0.149 1.00 1.27 H new ATOM 0 HG22 VAL A 79 109.865 -3.833 0.771 1.00 1.27 H new ATOM 0 HG23 VAL A 79 110.104 -3.503 -0.961 1.00 1.27 H new ATOM 1115 N GLN A 80 108.497 -0.410 -2.036 1.00 1.10 N ATOM 1116 CA GLN A 80 108.113 -0.393 -3.479 1.00 1.15 C ATOM 1117 C GLN A 80 109.346 -0.573 -4.371 1.00 1.17 C ATOM 1118 O GLN A 80 109.314 -1.338 -5.314 1.00 1.25 O ATOM 1119 CB GLN A 80 107.439 0.945 -3.799 1.00 1.11 C ATOM 1120 CG GLN A 80 106.653 0.832 -5.109 1.00 1.18 C ATOM 1121 CD GLN A 80 106.261 2.231 -5.588 1.00 1.80 C ATOM 1122 OE1 GLN A 80 107.113 3.048 -5.877 1.00 2.47 O ATOM 1123 NE2 GLN A 80 104.998 2.545 -5.684 1.00 2.48 N ATOM 0 H GLN A 80 108.885 0.464 -1.682 1.00 1.10 H new ATOM 0 HA GLN A 80 107.425 -1.216 -3.673 1.00 1.15 H new ATOM 0 HB2 GLN A 80 106.770 1.229 -2.987 1.00 1.11 H new ATOM 0 HB3 GLN A 80 108.190 1.730 -3.882 1.00 1.11 H new ATOM 0 HG2 GLN A 80 107.257 0.332 -5.866 1.00 1.18 H new ATOM 0 HG3 GLN A 80 105.761 0.223 -4.960 1.00 1.18 H new ATOM 0 HE21 GLN A 80 104.282 1.860 -5.442 1.00 2.48 H new ATOM 0 HE22 GLN A 80 104.727 3.476 -6.001 1.00 2.48 H new ATOM 1132 N GLU A 81 110.434 0.124 -4.113 1.00 1.11 N ATOM 1133 CA GLU A 81 111.635 -0.042 -5.003 1.00 1.13 C ATOM 1134 C GLU A 81 112.950 0.254 -4.239 1.00 1.07 C ATOM 1135 O GLU A 81 112.963 1.088 -3.356 1.00 0.98 O ATOM 1136 CB GLU A 81 111.542 0.943 -6.183 1.00 1.11 C ATOM 1137 CG GLU A 81 110.398 0.570 -7.136 1.00 1.43 C ATOM 1138 CD GLU A 81 110.598 -0.846 -7.684 1.00 1.37 C ATOM 1139 OE1 GLU A 81 111.693 -1.135 -8.139 1.00 1.92 O ATOM 1140 OE2 GLU A 81 109.653 -1.617 -7.640 1.00 1.65 O ATOM 0 H GLU A 81 110.542 0.785 -3.344 1.00 1.11 H new ATOM 0 HA GLU A 81 111.646 -1.074 -5.352 1.00 1.13 H new ATOM 0 HB2 GLU A 81 111.387 1.953 -5.804 1.00 1.11 H new ATOM 0 HB3 GLU A 81 112.485 0.949 -6.729 1.00 1.11 H new ATOM 0 HG2 GLU A 81 109.445 0.632 -6.611 1.00 1.43 H new ATOM 0 HG3 GLU A 81 110.356 1.283 -7.960 1.00 1.43 H new ATOM 1147 N PRO A 82 114.035 -0.416 -4.627 1.00 1.14 N ATOM 1148 CA PRO A 82 115.366 -0.215 -4.022 1.00 1.14 C ATOM 1149 C PRO A 82 115.654 1.229 -3.650 1.00 1.00 C ATOM 1150 O PRO A 82 115.018 2.160 -4.102 1.00 0.91 O ATOM 1151 CB PRO A 82 116.331 -0.717 -5.097 1.00 1.23 C ATOM 1152 CG PRO A 82 115.543 -1.792 -5.859 1.00 1.30 C ATOM 1153 CD PRO A 82 114.050 -1.450 -5.687 1.00 1.26 C ATOM 0 HA PRO A 82 115.455 -0.746 -3.074 1.00 1.14 H new ATOM 0 HB2 PRO A 82 116.640 0.091 -5.760 1.00 1.23 H new ATOM 0 HB3 PRO A 82 117.237 -1.130 -4.654 1.00 1.23 H new ATOM 0 HG2 PRO A 82 115.819 -1.800 -6.913 1.00 1.30 H new ATOM 0 HG3 PRO A 82 115.761 -2.784 -5.465 1.00 1.30 H new ATOM 0 HD2 PRO A 82 113.618 -1.076 -6.615 1.00 1.26 H new ATOM 0 HD3 PRO A 82 113.471 -2.327 -5.397 1.00 1.26 H new ATOM 1161 N GLY A 83 116.630 1.394 -2.806 1.00 0.99 N ATOM 1162 CA GLY A 83 117.028 2.754 -2.342 1.00 0.89 C ATOM 1163 C GLY A 83 117.433 2.670 -0.872 1.00 0.92 C ATOM 1164 O GLY A 83 117.669 1.599 -0.349 1.00 1.02 O ATOM 0 H GLY A 83 117.180 0.632 -2.410 1.00 0.99 H new ATOM 0 HA2 GLY A 83 117.857 3.130 -2.942 1.00 0.89 H new ATOM 0 HA3 GLY A 83 116.201 3.453 -2.467 1.00 0.89 H new ATOM 1168 N ASP A 84 117.502 3.789 -0.199 1.00 0.87 N ATOM 1169 CA ASP A 84 117.877 3.792 1.248 1.00 0.93 C ATOM 1170 C ASP A 84 116.653 4.207 2.061 1.00 0.83 C ATOM 1171 O ASP A 84 116.396 5.378 2.258 1.00 0.76 O ATOM 1172 CB ASP A 84 119.019 4.789 1.480 1.00 0.98 C ATOM 1173 CG ASP A 84 119.999 4.723 0.307 1.00 1.39 C ATOM 1174 OD1 ASP A 84 120.451 3.632 -0.001 1.00 2.13 O ATOM 1175 OD2 ASP A 84 120.282 5.764 -0.263 1.00 2.06 O ATOM 0 H ASP A 84 117.313 4.710 -0.593 1.00 0.87 H new ATOM 0 HA ASP A 84 118.209 2.800 1.555 1.00 0.93 H new ATOM 0 HB2 ASP A 84 118.620 5.799 1.578 1.00 0.98 H new ATOM 0 HB3 ASP A 84 119.535 4.558 2.412 1.00 0.98 H new ATOM 1180 N TYR A 85 115.893 3.260 2.530 1.00 0.84 N ATOM 1181 CA TYR A 85 114.689 3.603 3.326 1.00 0.76 C ATOM 1182 C TYR A 85 115.138 3.958 4.741 1.00 0.80 C ATOM 1183 O TYR A 85 116.103 3.420 5.248 1.00 0.92 O ATOM 1184 CB TYR A 85 113.732 2.392 3.340 1.00 0.80 C ATOM 1185 CG TYR A 85 112.637 2.575 2.315 1.00 0.73 C ATOM 1186 CD1 TYR A 85 112.834 2.136 1.001 1.00 0.78 C ATOM 1187 CD2 TYR A 85 111.430 3.181 2.680 1.00 0.64 C ATOM 1188 CE1 TYR A 85 111.824 2.305 0.051 1.00 0.75 C ATOM 1189 CE2 TYR A 85 110.419 3.350 1.729 1.00 0.61 C ATOM 1190 CZ TYR A 85 110.616 2.911 0.414 1.00 0.67 C ATOM 1191 OH TYR A 85 109.622 3.078 -0.523 1.00 0.68 O ATOM 0 H TYR A 85 116.055 2.262 2.395 1.00 0.84 H new ATOM 0 HA TYR A 85 114.162 4.453 2.892 1.00 0.76 H new ATOM 0 HB2 TYR A 85 114.288 1.479 3.129 1.00 0.80 H new ATOM 0 HB3 TYR A 85 113.295 2.277 4.332 1.00 0.80 H new ATOM 0 HD1 TYR A 85 113.766 1.667 0.722 1.00 0.78 H new ATOM 0 HD2 TYR A 85 111.279 3.518 3.695 1.00 0.64 H new ATOM 0 HE1 TYR A 85 111.975 1.968 -0.964 1.00 0.75 H new ATOM 0 HE2 TYR A 85 109.487 3.819 2.008 1.00 0.61 H new ATOM 0 HH TYR A 85 108.775 3.273 -0.070 1.00 0.68 H new ATOM 1201 N GLU A 86 114.457 4.876 5.369 1.00 0.73 N ATOM 1202 CA GLU A 86 114.839 5.303 6.749 1.00 0.78 C ATOM 1203 C GLU A 86 113.580 5.382 7.622 1.00 0.74 C ATOM 1204 O GLU A 86 112.594 5.989 7.252 1.00 0.68 O ATOM 1205 CB GLU A 86 115.536 6.691 6.692 1.00 0.78 C ATOM 1206 CG GLU A 86 115.188 7.414 5.370 1.00 0.72 C ATOM 1207 CD GLU A 86 116.191 7.027 4.278 1.00 0.85 C ATOM 1208 OE1 GLU A 86 116.908 6.060 4.475 1.00 1.53 O ATOM 1209 OE2 GLU A 86 116.223 7.705 3.264 1.00 1.26 O ATOM 0 H GLU A 86 113.643 5.355 4.983 1.00 0.73 H new ATOM 0 HA GLU A 86 115.530 4.578 7.179 1.00 0.78 H new ATOM 0 HB2 GLU A 86 115.221 7.299 7.540 1.00 0.78 H new ATOM 0 HB3 GLU A 86 116.616 6.567 6.773 1.00 0.78 H new ATOM 0 HG2 GLU A 86 114.178 7.150 5.057 1.00 0.72 H new ATOM 0 HG3 GLU A 86 115.203 8.493 5.522 1.00 0.72 H new ATOM 1216 N VAL A 87 113.613 4.767 8.780 1.00 0.81 N ATOM 1217 CA VAL A 87 112.432 4.785 9.697 1.00 0.78 C ATOM 1218 C VAL A 87 112.852 5.316 11.073 1.00 0.86 C ATOM 1219 O VAL A 87 113.960 5.095 11.520 1.00 0.99 O ATOM 1220 CB VAL A 87 111.906 3.356 9.832 1.00 0.84 C ATOM 1221 CG1 VAL A 87 112.897 2.506 10.632 1.00 1.00 C ATOM 1222 CG2 VAL A 87 110.552 3.374 10.543 1.00 0.83 C ATOM 0 H VAL A 87 114.418 4.248 9.132 1.00 0.81 H new ATOM 0 HA VAL A 87 111.654 5.434 9.295 1.00 0.78 H new ATOM 0 HB VAL A 87 111.789 2.923 8.838 1.00 0.84 H new ATOM 0 HG11 VAL A 87 112.514 1.490 10.723 1.00 1.00 H new ATOM 0 HG12 VAL A 87 113.858 2.487 10.118 1.00 1.00 H new ATOM 0 HG13 VAL A 87 113.026 2.936 11.625 1.00 1.00 H new ATOM 0 HG21 VAL A 87 110.178 2.355 10.639 1.00 0.83 H new ATOM 0 HG22 VAL A 87 110.667 3.813 11.534 1.00 0.83 H new ATOM 0 HG23 VAL A 87 109.845 3.967 9.964 1.00 0.83 H new ATOM 1232 N SER A 88 111.967 6.011 11.749 1.00 0.81 N ATOM 1233 CA SER A 88 112.291 6.561 13.106 1.00 0.91 C ATOM 1234 C SER A 88 111.195 6.154 14.084 1.00 0.87 C ATOM 1235 O SER A 88 110.125 6.729 14.113 1.00 0.84 O ATOM 1236 CB SER A 88 112.371 8.087 13.037 1.00 0.94 C ATOM 1237 OG SER A 88 111.058 8.621 12.930 1.00 1.59 O ATOM 0 H SER A 88 111.026 6.223 11.416 1.00 0.81 H new ATOM 0 HA SER A 88 113.250 6.166 13.441 1.00 0.91 H new ATOM 0 HB2 SER A 88 112.864 8.478 13.927 1.00 0.94 H new ATOM 0 HB3 SER A 88 112.972 8.393 12.180 1.00 0.94 H new ATOM 0 HG SER A 88 110.563 8.439 13.756 1.00 1.59 H new ATOM 1243 N ILE A 89 111.458 5.155 14.885 1.00 0.99 N ATOM 1244 CA ILE A 89 110.445 4.677 15.871 1.00 0.98 C ATOM 1245 C ILE A 89 110.803 5.199 17.271 1.00 1.08 C ATOM 1246 O ILE A 89 111.926 5.075 17.719 1.00 1.20 O ATOM 1247 CB ILE A 89 110.429 3.137 15.848 1.00 1.03 C ATOM 1248 CG1 ILE A 89 111.554 2.576 16.740 1.00 1.19 C ATOM 1249 CG2 ILE A 89 110.628 2.663 14.402 1.00 1.00 C ATOM 1250 CD1 ILE A 89 111.781 1.087 16.448 1.00 1.29 C ATOM 0 H ILE A 89 112.341 4.645 14.898 1.00 0.99 H new ATOM 0 HA ILE A 89 109.454 5.050 15.612 1.00 0.98 H new ATOM 0 HB ILE A 89 109.474 2.778 16.231 1.00 1.03 H new ATOM 0 HG12 ILE A 89 112.476 3.131 16.565 1.00 1.19 H new ATOM 0 HG13 ILE A 89 111.295 2.711 17.790 1.00 1.19 H new ATOM 0 HG21 ILE A 89 110.619 1.573 14.372 1.00 1.00 H new ATOM 0 HG22 ILE A 89 109.823 3.050 13.778 1.00 1.00 H new ATOM 0 HG23 ILE A 89 111.584 3.028 14.028 1.00 1.00 H new ATOM 0 HD11 ILE A 89 112.579 0.708 17.087 1.00 1.29 H new ATOM 0 HD12 ILE A 89 110.863 0.533 16.646 1.00 1.29 H new ATOM 0 HD13 ILE A 89 112.062 0.960 15.403 1.00 1.29 H new ATOM 1262 N LYS A 90 109.857 5.778 17.963 1.00 1.05 N ATOM 1263 CA LYS A 90 110.131 6.304 19.334 1.00 1.16 C ATOM 1264 C LYS A 90 108.954 5.970 20.245 1.00 1.11 C ATOM 1265 O LYS A 90 107.829 6.323 19.959 1.00 1.01 O ATOM 1266 CB LYS A 90 110.285 7.823 19.275 1.00 1.22 C ATOM 1267 CG LYS A 90 108.949 8.479 18.853 1.00 1.15 C ATOM 1268 CD LYS A 90 109.229 9.770 18.066 1.00 1.34 C ATOM 1269 CE LYS A 90 109.818 9.431 16.679 1.00 1.04 C ATOM 1270 NZ LYS A 90 111.265 9.793 16.662 1.00 1.58 N ATOM 0 H LYS A 90 108.900 5.910 17.635 1.00 1.05 H new ATOM 0 HA LYS A 90 111.045 5.851 19.718 1.00 1.16 H new ATOM 0 HB2 LYS A 90 110.593 8.203 20.249 1.00 1.22 H new ATOM 0 HB3 LYS A 90 111.069 8.089 18.566 1.00 1.22 H new ATOM 0 HG2 LYS A 90 108.371 7.787 18.241 1.00 1.15 H new ATOM 0 HG3 LYS A 90 108.348 8.703 19.735 1.00 1.15 H new ATOM 0 HD2 LYS A 90 108.308 10.340 17.949 1.00 1.34 H new ATOM 0 HD3 LYS A 90 109.925 10.399 18.621 1.00 1.34 H new ATOM 0 HE2 LYS A 90 109.693 8.369 16.467 1.00 1.04 H new ATOM 0 HE3 LYS A 90 109.285 9.976 15.900 1.00 1.04 H new ATOM 0 HZ1 LYS A 90 111.420 10.573 15.991 1.00 1.58 H new ATOM 0 HZ2 LYS A 90 111.559 10.091 17.614 1.00 1.58 H new ATOM 0 HZ3 LYS A 90 111.826 8.968 16.369 1.00 1.58 H new ATOM 1284 N PHE A 91 109.193 5.311 21.350 1.00 1.21 N ATOM 1285 CA PHE A 91 108.057 4.984 22.266 1.00 1.18 C ATOM 1286 C PHE A 91 107.781 6.197 23.152 1.00 1.22 C ATOM 1287 O PHE A 91 108.417 6.397 24.164 1.00 1.34 O ATOM 1288 CB PHE A 91 108.417 3.773 23.131 1.00 1.29 C ATOM 1289 CG PHE A 91 107.176 3.268 23.835 1.00 1.24 C ATOM 1290 CD1 PHE A 91 106.117 2.737 23.087 1.00 1.19 C ATOM 1291 CD2 PHE A 91 107.081 3.333 25.232 1.00 1.32 C ATOM 1292 CE1 PHE A 91 104.967 2.273 23.733 1.00 1.22 C ATOM 1293 CE2 PHE A 91 105.929 2.867 25.877 1.00 1.29 C ATOM 1294 CZ PHE A 91 104.872 2.337 25.128 1.00 1.24 C ATOM 0 H PHE A 91 110.111 4.989 21.655 1.00 1.21 H new ATOM 0 HA PHE A 91 107.168 4.742 21.684 1.00 1.18 H new ATOM 0 HB2 PHE A 91 108.843 2.984 22.511 1.00 1.29 H new ATOM 0 HB3 PHE A 91 109.176 4.048 23.863 1.00 1.29 H new ATOM 0 HD1 PHE A 91 106.189 2.686 22.011 1.00 1.19 H new ATOM 0 HD2 PHE A 91 107.896 3.742 25.811 1.00 1.32 H new ATOM 0 HE1 PHE A 91 104.151 1.865 23.155 1.00 1.22 H new ATOM 0 HE2 PHE A 91 105.856 2.917 26.953 1.00 1.29 H new ATOM 0 HZ PHE A 91 103.984 1.978 25.626 1.00 1.24 H new ATOM 1304 N ASN A 92 106.848 7.022 22.762 1.00 1.15 N ATOM 1305 CA ASN A 92 106.543 8.242 23.559 1.00 1.23 C ATOM 1306 C ASN A 92 107.722 9.207 23.413 1.00 1.32 C ATOM 1307 O ASN A 92 108.125 9.856 24.354 1.00 1.42 O ATOM 1308 CB ASN A 92 106.337 7.868 25.041 1.00 1.32 C ATOM 1309 CG ASN A 92 105.406 8.883 25.713 1.00 1.74 C ATOM 1310 OD1 ASN A 92 105.842 9.693 26.507 1.00 2.32 O ATOM 1311 ND2 ASN A 92 104.133 8.873 25.425 1.00 2.24 N ATOM 0 H ASN A 92 106.282 6.902 21.922 1.00 1.15 H new ATOM 0 HA ASN A 92 105.627 8.711 23.200 1.00 1.23 H new ATOM 0 HB2 ASN A 92 105.912 6.867 25.116 1.00 1.32 H new ATOM 0 HB3 ASN A 92 107.297 7.846 25.556 1.00 1.32 H new ATOM 0 HD21 ASN A 92 103.505 9.545 25.866 1.00 2.24 H new ATOM 0 HD22 ASN A 92 103.766 8.193 24.759 1.00 2.24 H new ATOM 1318 N ASP A 93 108.276 9.276 22.228 1.00 1.28 N ATOM 1319 CA ASP A 93 109.448 10.170 21.962 1.00 1.37 C ATOM 1320 C ASP A 93 110.738 9.481 22.393 1.00 1.45 C ATOM 1321 O ASP A 93 111.788 10.090 22.455 1.00 1.53 O ATOM 1322 CB ASP A 93 109.324 11.510 22.688 1.00 1.46 C ATOM 1323 CG ASP A 93 107.872 11.991 22.650 1.00 1.46 C ATOM 1324 OD1 ASP A 93 107.278 11.935 21.586 1.00 1.92 O ATOM 1325 OD2 ASP A 93 107.380 12.409 23.685 1.00 1.83 O ATOM 0 H ASP A 93 107.960 8.741 21.419 1.00 1.28 H new ATOM 0 HA ASP A 93 109.468 10.368 20.890 1.00 1.37 H new ATOM 0 HB2 ASP A 93 109.655 11.405 23.721 1.00 1.46 H new ATOM 0 HB3 ASP A 93 109.973 12.249 22.219 1.00 1.46 H new ATOM 1330 N GLU A 94 110.679 8.207 22.658 1.00 1.43 N ATOM 1331 CA GLU A 94 111.915 7.475 23.044 1.00 1.53 C ATOM 1332 C GLU A 94 112.571 6.969 21.761 1.00 1.52 C ATOM 1333 O GLU A 94 112.566 5.787 21.471 1.00 1.48 O ATOM 1334 CB GLU A 94 111.553 6.287 23.955 1.00 1.56 C ATOM 1335 CG GLU A 94 111.438 6.747 25.436 1.00 1.95 C ATOM 1336 CD GLU A 94 110.177 6.162 26.086 1.00 1.88 C ATOM 1337 OE1 GLU A 94 109.911 4.995 25.869 1.00 2.24 O ATOM 1338 OE2 GLU A 94 109.502 6.897 26.789 1.00 2.25 O ATOM 0 H GLU A 94 109.830 7.642 22.624 1.00 1.43 H new ATOM 0 HA GLU A 94 112.597 8.129 23.588 1.00 1.53 H new ATOM 0 HB2 GLU A 94 110.610 5.848 23.631 1.00 1.56 H new ATOM 0 HB3 GLU A 94 112.313 5.510 23.868 1.00 1.56 H new ATOM 0 HG2 GLU A 94 112.321 6.429 25.991 1.00 1.95 H new ATOM 0 HG3 GLU A 94 111.407 7.836 25.483 1.00 1.95 H new ATOM 1345 N HIS A 95 113.117 7.867 20.985 1.00 1.59 N ATOM 1346 CA HIS A 95 113.764 7.473 19.703 1.00 1.59 C ATOM 1347 C HIS A 95 115.020 6.653 19.984 1.00 1.71 C ATOM 1348 O HIS A 95 115.994 7.151 20.513 1.00 1.86 O ATOM 1349 CB HIS A 95 114.151 8.734 18.929 1.00 1.65 C ATOM 1350 CG HIS A 95 114.842 9.693 19.860 1.00 1.94 C ATOM 1351 ND1 HIS A 95 116.212 9.662 20.069 1.00 2.24 N ATOM 1352 CD2 HIS A 95 114.365 10.710 20.649 1.00 2.62 C ATOM 1353 CE1 HIS A 95 116.509 10.634 20.952 1.00 2.68 C ATOM 1354 NE2 HIS A 95 115.419 11.303 21.337 1.00 2.88 N ATOM 0 H HIS A 95 113.142 8.866 21.188 1.00 1.59 H new ATOM 0 HA HIS A 95 113.067 6.874 19.117 1.00 1.59 H new ATOM 0 HB2 HIS A 95 114.808 8.478 18.098 1.00 1.65 H new ATOM 0 HB3 HIS A 95 113.263 9.200 18.501 1.00 1.65 H new ATOM 0 HD1 HIS A 95 116.874 9.020 19.633 1.00 2.24 H new ATOM 0 HD2 HIS A 95 113.329 11.005 20.724 1.00 2.62 H new ATOM 0 HE1 HIS A 95 117.507 10.847 21.306 1.00 2.68 H new ATOM 1362 N ILE A 96 115.011 5.403 19.625 1.00 1.67 N ATOM 1363 CA ILE A 96 116.215 4.556 19.863 1.00 1.82 C ATOM 1364 C ILE A 96 117.387 5.140 19.047 1.00 1.88 C ATOM 1365 O ILE A 96 117.155 5.780 18.042 1.00 1.77 O ATOM 1366 CB ILE A 96 115.918 3.114 19.405 1.00 1.82 C ATOM 1367 CG1 ILE A 96 114.989 3.145 18.187 1.00 1.98 C ATOM 1368 CG2 ILE A 96 115.235 2.334 20.535 1.00 2.35 C ATOM 1369 CD1 ILE A 96 114.982 1.771 17.514 1.00 2.27 C ATOM 0 H ILE A 96 114.226 4.929 19.178 1.00 1.67 H new ATOM 0 HA ILE A 96 116.473 4.544 20.922 1.00 1.82 H new ATOM 0 HB ILE A 96 116.857 2.626 19.144 1.00 1.82 H new ATOM 0 HG12 ILE A 96 113.979 3.416 18.494 1.00 1.98 H new ATOM 0 HG13 ILE A 96 115.323 3.906 17.481 1.00 1.98 H new ATOM 0 HG21 ILE A 96 115.029 1.317 20.202 1.00 2.35 H new ATOM 0 HG22 ILE A 96 115.891 2.305 21.405 1.00 2.35 H new ATOM 0 HG23 ILE A 96 114.299 2.825 20.802 1.00 2.35 H new ATOM 0 HD11 ILE A 96 114.321 1.794 16.648 1.00 2.27 H new ATOM 0 HD12 ILE A 96 115.992 1.518 17.193 1.00 2.27 H new ATOM 0 HD13 ILE A 96 114.628 1.021 18.221 1.00 2.27 H new ATOM 1381 N PRO A 97 118.614 4.914 19.480 1.00 2.08 N ATOM 1382 CA PRO A 97 119.786 5.436 18.752 1.00 2.18 C ATOM 1383 C PRO A 97 119.692 5.058 17.265 1.00 2.06 C ATOM 1384 O PRO A 97 119.928 5.870 16.393 1.00 2.32 O ATOM 1385 CB PRO A 97 121.007 4.777 19.439 1.00 2.43 C ATOM 1386 CG PRO A 97 120.474 3.965 20.658 1.00 2.48 C ATOM 1387 CD PRO A 97 118.938 4.139 20.698 1.00 2.25 C ATOM 0 HA PRO A 97 119.857 6.523 18.784 1.00 2.18 H new ATOM 0 HB2 PRO A 97 121.533 4.123 18.743 1.00 2.43 H new ATOM 0 HB3 PRO A 97 121.720 5.535 19.765 1.00 2.43 H new ATOM 0 HG2 PRO A 97 120.738 2.912 20.562 1.00 2.48 H new ATOM 0 HG3 PRO A 97 120.924 4.323 21.584 1.00 2.48 H new ATOM 0 HD2 PRO A 97 118.430 3.174 20.700 1.00 2.25 H new ATOM 0 HD3 PRO A 97 118.623 4.667 21.598 1.00 2.25 H new ATOM 1395 N ASP A 98 119.343 3.835 16.972 1.00 2.10 N ATOM 1396 CA ASP A 98 119.228 3.413 15.547 1.00 1.98 C ATOM 1397 C ASP A 98 118.351 4.395 14.787 1.00 1.76 C ATOM 1398 O ASP A 98 118.710 4.861 13.724 1.00 1.73 O ATOM 1399 CB ASP A 98 118.629 2.017 15.476 1.00 1.95 C ATOM 1400 CG ASP A 98 119.254 1.136 16.559 1.00 2.28 C ATOM 1401 OD1 ASP A 98 120.320 0.597 16.313 1.00 2.64 O ATOM 1402 OD2 ASP A 98 118.657 1.017 17.616 1.00 2.65 O ATOM 0 H ASP A 98 119.133 3.110 17.658 1.00 2.10 H new ATOM 0 HA ASP A 98 120.219 3.401 15.093 1.00 1.98 H new ATOM 0 HB2 ASP A 98 117.549 2.066 15.612 1.00 1.95 H new ATOM 0 HB3 ASP A 98 118.807 1.583 14.492 1.00 1.95 H new ATOM 1407 N SER A 99 117.212 4.726 15.314 1.00 1.67 N ATOM 1408 CA SER A 99 116.347 5.689 14.595 1.00 1.48 C ATOM 1409 C SER A 99 117.167 6.976 14.363 1.00 1.62 C ATOM 1410 O SER A 99 117.696 7.511 15.316 1.00 1.87 O ATOM 1411 CB SER A 99 115.124 6.017 15.456 1.00 1.48 C ATOM 1412 OG SER A 99 114.610 7.286 15.073 1.00 2.00 O ATOM 0 H SER A 99 116.846 4.377 16.200 1.00 1.67 H new ATOM 0 HA SER A 99 116.012 5.269 13.647 1.00 1.48 H new ATOM 0 HB2 SER A 99 114.360 5.249 15.332 1.00 1.48 H new ATOM 0 HB3 SER A 99 115.399 6.026 16.511 1.00 1.48 H new ATOM 0 HG SER A 99 113.826 7.500 15.620 1.00 2.00 H new ATOM 1418 N PRO A 100 117.279 7.462 13.134 1.00 1.55 N ATOM 1419 CA PRO A 100 116.667 6.875 11.914 1.00 1.33 C ATOM 1420 C PRO A 100 117.383 5.569 11.493 1.00 1.33 C ATOM 1421 O PRO A 100 118.545 5.573 11.137 1.00 1.47 O ATOM 1422 CB PRO A 100 116.860 7.962 10.825 1.00 1.43 C ATOM 1423 CG PRO A 100 117.819 9.038 11.407 1.00 1.74 C ATOM 1424 CD PRO A 100 118.049 8.697 12.895 1.00 1.79 C ATOM 0 HA PRO A 100 115.622 6.611 12.074 1.00 1.33 H new ATOM 0 HB2 PRO A 100 117.278 7.526 9.917 1.00 1.43 H new ATOM 0 HB3 PRO A 100 115.903 8.407 10.553 1.00 1.43 H new ATOM 0 HG2 PRO A 100 118.764 9.043 10.864 1.00 1.74 H new ATOM 0 HG3 PRO A 100 117.387 10.033 11.304 1.00 1.74 H new ATOM 0 HD2 PRO A 100 119.108 8.547 13.105 1.00 1.79 H new ATOM 0 HD3 PRO A 100 117.707 9.505 13.541 1.00 1.79 H new ATOM 1432 N PHE A 101 116.680 4.466 11.499 1.00 1.25 N ATOM 1433 CA PHE A 101 117.283 3.168 11.070 1.00 1.36 C ATOM 1434 C PHE A 101 117.430 3.217 9.539 1.00 1.24 C ATOM 1435 O PHE A 101 116.934 4.119 8.901 1.00 1.16 O ATOM 1436 CB PHE A 101 116.299 2.026 11.452 1.00 1.55 C ATOM 1437 CG PHE A 101 116.962 0.978 12.327 1.00 1.46 C ATOM 1438 CD1 PHE A 101 118.000 0.187 11.816 1.00 1.78 C ATOM 1439 CD2 PHE A 101 116.518 0.784 13.641 1.00 1.50 C ATOM 1440 CE1 PHE A 101 118.595 -0.792 12.621 1.00 2.18 C ATOM 1441 CE2 PHE A 101 117.109 -0.200 14.443 1.00 1.83 C ATOM 1442 CZ PHE A 101 118.149 -0.987 13.934 1.00 2.19 C ATOM 0 H PHE A 101 115.703 4.409 11.786 1.00 1.25 H new ATOM 0 HA PHE A 101 118.249 2.997 11.545 1.00 1.36 H new ATOM 0 HB2 PHE A 101 115.441 2.446 11.976 1.00 1.55 H new ATOM 0 HB3 PHE A 101 115.920 1.555 10.545 1.00 1.55 H new ATOM 0 HD1 PHE A 101 118.341 0.333 10.802 1.00 1.78 H new ATOM 0 HD2 PHE A 101 115.719 1.394 14.036 1.00 1.50 H new ATOM 0 HE1 PHE A 101 119.399 -1.397 12.229 1.00 2.18 H new ATOM 0 HE2 PHE A 101 116.762 -0.352 15.455 1.00 1.83 H new ATOM 0 HZ PHE A 101 118.607 -1.744 14.554 1.00 2.19 H new ATOM 1452 N VAL A 102 118.104 2.257 8.953 1.00 1.28 N ATOM 1453 CA VAL A 102 118.285 2.235 7.467 1.00 1.21 C ATOM 1454 C VAL A 102 117.827 0.875 6.924 1.00 1.23 C ATOM 1455 O VAL A 102 118.169 -0.161 7.460 1.00 1.34 O ATOM 1456 CB VAL A 102 119.766 2.451 7.161 1.00 1.31 C ATOM 1457 CG1 VAL A 102 120.575 1.221 7.586 1.00 1.44 C ATOM 1458 CG2 VAL A 102 119.951 2.695 5.661 1.00 1.29 C ATOM 0 H VAL A 102 118.541 1.479 9.447 1.00 1.28 H new ATOM 0 HA VAL A 102 117.694 3.020 6.996 1.00 1.21 H new ATOM 0 HB VAL A 102 120.121 3.319 7.717 1.00 1.31 H new ATOM 0 HG11 VAL A 102 121.630 1.385 7.364 1.00 1.44 H new ATOM 0 HG12 VAL A 102 120.451 1.056 8.656 1.00 1.44 H new ATOM 0 HG13 VAL A 102 120.221 0.346 7.041 1.00 1.44 H new ATOM 0 HG21 VAL A 102 121.008 2.849 5.445 1.00 1.29 H new ATOM 0 HG22 VAL A 102 119.589 1.831 5.104 1.00 1.29 H new ATOM 0 HG23 VAL A 102 119.388 3.580 5.364 1.00 1.29 H new ATOM 1468 N VAL A 103 117.046 0.875 5.869 1.00 1.15 N ATOM 1469 CA VAL A 103 116.544 -0.413 5.281 1.00 1.19 C ATOM 1470 C VAL A 103 116.828 -0.436 3.765 1.00 1.19 C ATOM 1471 O VAL A 103 115.962 -0.105 2.982 1.00 1.10 O ATOM 1472 CB VAL A 103 115.032 -0.501 5.516 1.00 1.11 C ATOM 1473 CG1 VAL A 103 114.481 -1.779 4.875 1.00 1.18 C ATOM 1474 CG2 VAL A 103 114.757 -0.529 7.022 1.00 1.14 C ATOM 0 H VAL A 103 116.732 1.717 5.386 1.00 1.15 H new ATOM 0 HA VAL A 103 117.048 -1.257 5.752 1.00 1.19 H new ATOM 0 HB VAL A 103 114.545 0.365 5.067 1.00 1.11 H new ATOM 0 HG11 VAL A 103 113.406 -1.837 5.045 1.00 1.18 H new ATOM 0 HG12 VAL A 103 114.679 -1.763 3.803 1.00 1.18 H new ATOM 0 HG13 VAL A 103 114.966 -2.648 5.320 1.00 1.18 H new ATOM 0 HG21 VAL A 103 113.683 -0.592 7.195 1.00 1.14 H new ATOM 0 HG22 VAL A 103 115.247 -1.396 7.465 1.00 1.14 H new ATOM 0 HG23 VAL A 103 115.146 0.381 7.480 1.00 1.14 H new ATOM 1484 N PRO A 104 118.033 -0.812 3.378 1.00 1.29 N ATOM 1485 CA PRO A 104 118.401 -0.855 1.949 1.00 1.30 C ATOM 1486 C PRO A 104 117.564 -1.914 1.209 1.00 1.33 C ATOM 1487 O PRO A 104 117.682 -3.099 1.454 1.00 1.44 O ATOM 1488 CB PRO A 104 119.908 -1.214 1.937 1.00 1.42 C ATOM 1489 CG PRO A 104 120.363 -1.370 3.419 1.00 1.49 C ATOM 1490 CD PRO A 104 119.111 -1.209 4.308 1.00 1.41 C ATOM 0 HA PRO A 104 118.210 0.090 1.440 1.00 1.30 H new ATOM 0 HB2 PRO A 104 120.078 -2.138 1.384 1.00 1.42 H new ATOM 0 HB3 PRO A 104 120.484 -0.434 1.439 1.00 1.42 H new ATOM 0 HG2 PRO A 104 120.823 -2.345 3.578 1.00 1.49 H new ATOM 0 HG3 PRO A 104 121.112 -0.619 3.671 1.00 1.49 H new ATOM 0 HD2 PRO A 104 118.868 -2.140 4.820 1.00 1.41 H new ATOM 0 HD3 PRO A 104 119.267 -0.453 5.077 1.00 1.41 H new ATOM 1498 N VAL A 105 116.727 -1.488 0.298 1.00 1.25 N ATOM 1499 CA VAL A 105 115.884 -2.450 -0.476 1.00 1.29 C ATOM 1500 C VAL A 105 116.617 -2.789 -1.786 1.00 1.35 C ATOM 1501 O VAL A 105 117.337 -1.966 -2.328 1.00 1.31 O ATOM 1502 CB VAL A 105 114.523 -1.791 -0.734 1.00 1.19 C ATOM 1503 CG1 VAL A 105 113.687 -2.617 -1.722 1.00 1.26 C ATOM 1504 CG2 VAL A 105 113.773 -1.691 0.591 1.00 1.15 C ATOM 0 H VAL A 105 116.590 -0.507 0.055 1.00 1.25 H new ATOM 0 HA VAL A 105 115.717 -3.378 0.070 1.00 1.29 H new ATOM 0 HB VAL A 105 114.686 -0.803 -1.165 1.00 1.19 H new ATOM 0 HG11 VAL A 105 112.728 -2.126 -1.886 1.00 1.26 H new ATOM 0 HG12 VAL A 105 114.219 -2.699 -2.670 1.00 1.26 H new ATOM 0 HG13 VAL A 105 113.519 -3.613 -1.313 1.00 1.26 H new ATOM 0 HG21 VAL A 105 112.802 -1.224 0.425 1.00 1.15 H new ATOM 0 HG22 VAL A 105 113.630 -2.689 1.004 1.00 1.15 H new ATOM 0 HG23 VAL A 105 114.351 -1.088 1.291 1.00 1.15 H new ATOM 1514 N ALA A 106 116.478 -4.011 -2.271 1.00 1.46 N ATOM 1515 CA ALA A 106 117.212 -4.438 -3.516 1.00 1.53 C ATOM 1516 C ALA A 106 116.276 -5.141 -4.526 1.00 1.59 C ATOM 1517 O ALA A 106 115.553 -6.050 -4.200 1.00 1.66 O ATOM 1518 CB ALA A 106 118.322 -5.408 -3.087 1.00 1.67 C ATOM 0 H ALA A 106 115.886 -4.731 -1.856 1.00 1.46 H new ATOM 0 HA ALA A 106 117.618 -3.556 -4.012 1.00 1.53 H new ATOM 0 HB1 ALA A 106 118.876 -5.739 -3.966 1.00 1.67 H new ATOM 0 HB2 ALA A 106 119.000 -4.903 -2.399 1.00 1.67 H new ATOM 0 HB3 ALA A 106 117.879 -6.272 -2.591 1.00 1.67 H new ATOM 1524 N SER A 107 116.308 -4.725 -5.762 1.00 1.59 N ATOM 1525 CA SER A 107 115.452 -5.357 -6.810 1.00 1.67 C ATOM 1526 C SER A 107 116.310 -6.352 -7.572 1.00 1.81 C ATOM 1527 O SER A 107 117.073 -5.994 -8.446 1.00 1.83 O ATOM 1528 CB SER A 107 114.935 -4.295 -7.782 1.00 1.60 C ATOM 1529 OG SER A 107 116.040 -3.627 -8.377 1.00 2.04 O ATOM 0 H SER A 107 116.899 -3.964 -6.096 1.00 1.59 H new ATOM 0 HA SER A 107 114.598 -5.850 -6.345 1.00 1.67 H new ATOM 0 HB2 SER A 107 114.318 -4.759 -8.552 1.00 1.60 H new ATOM 0 HB3 SER A 107 114.303 -3.580 -7.255 1.00 1.60 H new ATOM 0 HG SER A 107 116.825 -4.214 -8.361 1.00 2.04 H new ATOM 1535 N LEU A 108 116.209 -7.592 -7.220 1.00 1.98 N ATOM 1536 CA LEU A 108 117.037 -8.632 -7.892 1.00 2.16 C ATOM 1537 C LEU A 108 118.507 -8.216 -7.789 1.00 2.13 C ATOM 1538 O LEU A 108 119.379 -8.808 -8.392 1.00 2.33 O ATOM 1539 CB LEU A 108 116.625 -8.764 -9.368 1.00 2.25 C ATOM 1540 CG LEU A 108 115.376 -9.643 -9.480 1.00 2.76 C ATOM 1541 CD1 LEU A 108 114.276 -9.091 -8.572 1.00 3.20 C ATOM 1542 CD2 LEU A 108 114.885 -9.647 -10.930 1.00 3.20 C ATOM 0 H LEU A 108 115.586 -7.940 -6.491 1.00 1.98 H new ATOM 0 HA LEU A 108 116.888 -9.598 -7.410 1.00 2.16 H new ATOM 0 HB2 LEU A 108 116.427 -7.779 -9.789 1.00 2.25 H new ATOM 0 HB3 LEU A 108 117.441 -9.199 -9.945 1.00 2.25 H new ATOM 0 HG LEU A 108 115.621 -10.660 -9.174 1.00 2.76 H new ATOM 0 HD11 LEU A 108 113.388 -9.718 -8.653 1.00 3.20 H new ATOM 0 HD12 LEU A 108 114.624 -9.088 -7.539 1.00 3.20 H new ATOM 0 HD13 LEU A 108 114.030 -8.073 -8.875 1.00 3.20 H new ATOM 0 HD21 LEU A 108 113.996 -10.272 -11.011 1.00 3.20 H new ATOM 0 HD22 LEU A 108 114.642 -8.629 -11.235 1.00 3.20 H new ATOM 0 HD23 LEU A 108 115.667 -10.042 -11.578 1.00 3.20 H new ATOM 1554 N SER A 109 118.780 -7.197 -7.012 1.00 1.93 N ATOM 1555 CA SER A 109 120.183 -6.720 -6.835 1.00 1.92 C ATOM 1556 C SER A 109 120.725 -7.241 -5.509 1.00 2.00 C ATOM 1557 O SER A 109 121.913 -7.437 -5.351 1.00 2.09 O ATOM 1558 CB SER A 109 120.207 -5.195 -6.842 1.00 1.77 C ATOM 1559 OG SER A 109 121.548 -4.758 -7.015 1.00 2.06 O ATOM 0 H SER A 109 118.081 -6.671 -6.488 1.00 1.93 H new ATOM 0 HA SER A 109 120.804 -7.090 -7.651 1.00 1.92 H new ATOM 0 HB2 SER A 109 119.579 -4.812 -7.646 1.00 1.77 H new ATOM 0 HB3 SER A 109 119.801 -4.807 -5.908 1.00 1.77 H new ATOM 0 HG SER A 109 122.157 -5.390 -6.578 1.00 2.06 H new ATOM 1565 N ASP A 110 119.870 -7.459 -4.546 1.00 1.99 N ATOM 1566 CA ASP A 110 120.361 -7.958 -3.232 1.00 2.10 C ATOM 1567 C ASP A 110 121.430 -6.991 -2.737 1.00 2.06 C ATOM 1568 O ASP A 110 122.147 -7.257 -1.793 1.00 2.19 O ATOM 1569 CB ASP A 110 120.965 -9.356 -3.403 1.00 2.32 C ATOM 1570 CG ASP A 110 121.133 -10.012 -2.031 1.00 2.37 C ATOM 1571 OD1 ASP A 110 120.148 -10.504 -1.507 1.00 2.61 O ATOM 1572 OD2 ASP A 110 122.245 -10.012 -1.528 1.00 2.85 O ATOM 0 H ASP A 110 118.862 -7.314 -4.612 1.00 1.99 H new ATOM 0 HA ASP A 110 119.542 -8.019 -2.516 1.00 2.10 H new ATOM 0 HB2 ASP A 110 120.320 -9.968 -4.034 1.00 2.32 H new ATOM 0 HB3 ASP A 110 121.930 -9.288 -3.906 1.00 2.32 H new ATOM 1577 N ASP A 111 121.537 -5.867 -3.388 1.00 1.92 N ATOM 1578 CA ASP A 111 122.551 -4.863 -2.992 1.00 1.92 C ATOM 1579 C ASP A 111 122.272 -3.543 -3.715 1.00 1.78 C ATOM 1580 O ASP A 111 122.565 -2.482 -3.202 1.00 1.80 O ATOM 1581 CB ASP A 111 123.943 -5.368 -3.375 1.00 2.09 C ATOM 1582 CG ASP A 111 123.934 -5.826 -4.835 1.00 1.97 C ATOM 1583 OD1 ASP A 111 123.637 -5.007 -5.690 1.00 2.46 O ATOM 1584 OD2 ASP A 111 124.224 -6.986 -5.073 1.00 2.24 O ATOM 0 H ASP A 111 120.958 -5.603 -4.185 1.00 1.92 H new ATOM 0 HA ASP A 111 122.504 -4.704 -1.915 1.00 1.92 H new ATOM 0 HB2 ASP A 111 124.680 -4.577 -3.235 1.00 2.09 H new ATOM 0 HB3 ASP A 111 124.234 -6.193 -2.725 1.00 2.09 H new ATOM 1589 N ALA A 112 121.713 -3.584 -4.906 1.00 1.71 N ATOM 1590 CA ALA A 112 121.445 -2.299 -5.625 1.00 1.63 C ATOM 1591 C ALA A 112 122.715 -1.445 -5.600 1.00 1.84 C ATOM 1592 O ALA A 112 122.824 -0.497 -4.848 1.00 2.08 O ATOM 1593 CB ALA A 112 120.311 -1.548 -4.923 1.00 1.53 C ATOM 0 H ALA A 112 121.437 -4.433 -5.400 1.00 1.71 H new ATOM 0 HA ALA A 112 121.156 -2.504 -6.656 1.00 1.63 H new ATOM 0 HB1 ALA A 112 120.116 -0.612 -5.446 1.00 1.53 H new ATOM 0 HB2 ALA A 112 119.410 -2.162 -4.928 1.00 1.53 H new ATOM 0 HB3 ALA A 112 120.599 -1.335 -3.893 1.00 1.53 H new ATOM 1599 N ARG A 113 123.686 -1.791 -6.401 1.00 2.07 N ATOM 1600 CA ARG A 113 124.964 -1.021 -6.411 1.00 2.38 C ATOM 1601 C ARG A 113 124.828 0.226 -7.299 1.00 2.26 C ATOM 1602 O ARG A 113 124.103 0.238 -8.274 1.00 2.13 O ATOM 1603 CB ARG A 113 126.088 -1.938 -6.946 1.00 2.71 C ATOM 1604 CG ARG A 113 127.423 -1.639 -6.233 1.00 3.42 C ATOM 1605 CD ARG A 113 127.482 -2.387 -4.892 1.00 4.01 C ATOM 1606 NE ARG A 113 128.440 -1.694 -3.968 1.00 4.89 N ATOM 1607 CZ ARG A 113 129.669 -1.434 -4.330 1.00 5.44 C ATOM 1608 NH1 ARG A 113 130.157 -1.942 -5.428 1.00 5.93 N ATOM 1609 NH2 ARG A 113 130.432 -0.711 -3.557 1.00 5.81 N ATOM 0 H ARG A 113 123.650 -2.576 -7.051 1.00 2.07 H new ATOM 0 HA ARG A 113 125.204 -0.693 -5.400 1.00 2.38 H new ATOM 0 HB2 ARG A 113 125.815 -2.982 -6.794 1.00 2.71 H new ATOM 0 HB3 ARG A 113 126.203 -1.792 -8.020 1.00 2.71 H new ATOM 0 HG2 ARG A 113 128.258 -1.942 -6.865 1.00 3.42 H new ATOM 0 HG3 ARG A 113 127.523 -0.567 -6.065 1.00 3.42 H new ATOM 0 HD2 ARG A 113 126.490 -2.425 -4.442 1.00 4.01 H new ATOM 0 HD3 ARG A 113 127.798 -3.418 -5.053 1.00 4.01 H new ATOM 0 HE ARG A 113 128.125 -1.420 -3.037 1.00 4.89 H new ATOM 0 HH11 ARG A 113 129.579 -2.547 -6.011 1.00 5.93 H new ATOM 0 HH12 ARG A 113 131.117 -1.734 -5.703 1.00 5.93 H new ATOM 0 HH21 ARG A 113 130.069 -0.351 -2.674 1.00 5.81 H new ATOM 0 HH22 ARG A 113 131.392 -0.506 -3.835 1.00 5.81 H new ATOM 1623 N ARG A 114 125.542 1.267 -6.965 1.00 2.56 N ATOM 1624 CA ARG A 114 125.495 2.523 -7.772 1.00 2.68 C ATOM 1625 C ARG A 114 126.265 2.297 -9.075 1.00 2.88 C ATOM 1626 O ARG A 114 126.569 3.216 -9.808 1.00 3.11 O ATOM 1627 CB ARG A 114 126.185 3.626 -6.980 1.00 3.13 C ATOM 1628 CG ARG A 114 126.021 4.985 -7.687 1.00 3.38 C ATOM 1629 CD ARG A 114 126.170 6.123 -6.672 1.00 3.88 C ATOM 1630 NE ARG A 114 127.405 5.915 -5.865 1.00 4.34 N ATOM 1631 CZ ARG A 114 127.896 6.897 -5.160 1.00 4.96 C ATOM 1632 NH1 ARG A 114 127.310 8.063 -5.168 1.00 5.24 N ATOM 1633 NH2 ARG A 114 128.975 6.714 -4.448 1.00 5.61 N ATOM 0 H ARG A 114 126.164 1.302 -6.157 1.00 2.56 H new ATOM 0 HA ARG A 114 124.463 2.799 -7.990 1.00 2.68 H new ATOM 0 HB2 ARG A 114 125.763 3.679 -5.976 1.00 3.13 H new ATOM 0 HB3 ARG A 114 127.244 3.393 -6.869 1.00 3.13 H new ATOM 0 HG2 ARG A 114 126.768 5.088 -8.474 1.00 3.38 H new ATOM 0 HG3 ARG A 114 125.044 5.040 -8.167 1.00 3.38 H new ATOM 0 HD2 ARG A 114 126.219 7.081 -7.189 1.00 3.88 H new ATOM 0 HD3 ARG A 114 125.298 6.158 -6.019 1.00 3.88 H new ATOM 0 HE ARG A 114 127.866 5.005 -5.864 1.00 4.34 H new ATOM 0 HH11 ARG A 114 126.468 8.207 -5.725 1.00 5.24 H new ATOM 0 HH12 ARG A 114 127.694 8.831 -4.617 1.00 5.24 H new ATOM 0 HH21 ARG A 114 129.434 5.803 -4.443 1.00 5.61 H new ATOM 0 HH22 ARG A 114 129.359 7.482 -3.897 1.00 5.61 H new ATOM 1647 N LEU A 115 126.574 1.067 -9.355 1.00 2.94 N ATOM 1648 CA LEU A 115 127.331 0.710 -10.603 1.00 3.30 C ATOM 1649 C LEU A 115 126.569 -0.387 -11.356 1.00 3.36 C ATOM 1650 O LEU A 115 126.612 -0.472 -12.568 1.00 3.66 O ATOM 1651 CB LEU A 115 128.723 0.186 -10.228 1.00 3.73 C ATOM 1652 CG LEU A 115 129.418 1.165 -9.273 1.00 3.89 C ATOM 1653 CD1 LEU A 115 130.694 0.520 -8.729 1.00 4.39 C ATOM 1654 CD2 LEU A 115 129.780 2.456 -10.018 1.00 4.19 C ATOM 0 H LEU A 115 126.333 0.270 -8.765 1.00 2.94 H new ATOM 0 HA LEU A 115 127.432 1.594 -11.233 1.00 3.30 H new ATOM 0 HB2 LEU A 115 128.636 -0.793 -9.757 1.00 3.73 H new ATOM 0 HB3 LEU A 115 129.325 0.055 -11.127 1.00 3.73 H new ATOM 0 HG LEU A 115 128.744 1.403 -8.451 1.00 3.89 H new ATOM 0 HD11 LEU A 115 131.191 1.213 -8.050 1.00 4.39 H new ATOM 0 HD12 LEU A 115 130.439 -0.394 -8.193 1.00 4.39 H new ATOM 0 HD13 LEU A 115 131.362 0.281 -9.556 1.00 4.39 H new ATOM 0 HD21 LEU A 115 130.273 3.146 -9.333 1.00 4.19 H new ATOM 0 HD22 LEU A 115 130.452 2.223 -10.844 1.00 4.19 H new ATOM 0 HD23 LEU A 115 128.873 2.918 -10.407 1.00 4.19 H new ATOM 1666 N THR A 116 125.855 -1.212 -10.641 1.00 3.21 N ATOM 1667 CA THR A 116 125.058 -2.297 -11.289 1.00 3.48 C ATOM 1668 C THR A 116 123.675 -1.733 -11.548 1.00 3.22 C ATOM 1669 O THR A 116 123.372 -1.270 -12.629 1.00 3.40 O ATOM 1670 CB THR A 116 124.958 -3.502 -10.350 1.00 3.70 C ATOM 1671 OG1 THR A 116 126.243 -4.090 -10.199 1.00 3.92 O ATOM 1672 CG2 THR A 116 123.990 -4.530 -10.938 1.00 4.09 C ATOM 0 H THR A 116 125.788 -1.182 -9.624 1.00 3.21 H new ATOM 0 HA THR A 116 125.528 -2.626 -12.216 1.00 3.48 H new ATOM 0 HB THR A 116 124.591 -3.176 -9.377 1.00 3.70 H new ATOM 0 HG1 THR A 116 126.181 -4.861 -9.597 1.00 3.92 H new ATOM 0 HG21 THR A 116 123.919 -5.388 -10.269 1.00 4.09 H new ATOM 0 HG22 THR A 116 123.005 -4.078 -11.053 1.00 4.09 H new ATOM 0 HG23 THR A 116 124.355 -4.858 -11.911 1.00 4.09 H new ATOM 1680 N VAL A 117 122.854 -1.702 -10.541 1.00 2.90 N ATOM 1681 CA VAL A 117 121.516 -1.089 -10.709 1.00 2.76 C ATOM 1682 C VAL A 117 121.776 0.368 -11.072 1.00 2.58 C ATOM 1683 O VAL A 117 120.893 1.109 -11.453 1.00 2.69 O ATOM 1684 CB VAL A 117 120.754 -1.166 -9.384 1.00 2.47 C ATOM 1685 CG1 VAL A 117 119.542 -0.228 -9.419 1.00 2.42 C ATOM 1686 CG2 VAL A 117 120.275 -2.600 -9.145 1.00 2.90 C ATOM 0 H VAL A 117 123.052 -2.074 -9.612 1.00 2.90 H new ATOM 0 HA VAL A 117 120.924 -1.595 -11.471 1.00 2.76 H new ATOM 0 HB VAL A 117 121.421 -0.863 -8.577 1.00 2.47 H new ATOM 0 HG11 VAL A 117 119.006 -0.290 -8.472 1.00 2.42 H new ATOM 0 HG12 VAL A 117 119.879 0.796 -9.579 1.00 2.42 H new ATOM 0 HG13 VAL A 117 118.878 -0.522 -10.231 1.00 2.42 H new ATOM 0 HG21 VAL A 117 119.733 -2.650 -8.201 1.00 2.90 H new ATOM 0 HG22 VAL A 117 119.616 -2.904 -9.958 1.00 2.90 H new ATOM 0 HG23 VAL A 117 121.135 -3.269 -9.106 1.00 2.90 H new ATOM 1696 N THR A 118 123.021 0.754 -10.942 1.00 2.52 N ATOM 1697 CA THR A 118 123.462 2.137 -11.252 1.00 2.61 C ATOM 1698 C THR A 118 122.393 3.149 -10.847 1.00 2.56 C ATOM 1699 O THR A 118 121.909 3.927 -11.644 1.00 2.90 O ATOM 1700 CB THR A 118 123.808 2.244 -12.739 1.00 3.07 C ATOM 1701 OG1 THR A 118 124.143 3.589 -13.050 1.00 3.29 O ATOM 1702 CG2 THR A 118 122.630 1.795 -13.609 1.00 3.36 C ATOM 0 H THR A 118 123.771 0.141 -10.622 1.00 2.52 H new ATOM 0 HA THR A 118 124.357 2.368 -10.675 1.00 2.61 H new ATOM 0 HB THR A 118 124.657 1.592 -12.945 1.00 3.07 H new ATOM 0 HG1 THR A 118 123.404 4.178 -12.792 1.00 3.29 H new ATOM 0 HG21 THR A 118 122.901 1.881 -14.661 1.00 3.36 H new ATOM 0 HG22 THR A 118 122.384 0.758 -13.381 1.00 3.36 H new ATOM 0 HG23 THR A 118 121.765 2.427 -13.405 1.00 3.36 H new ATOM 1710 N SER A 119 122.040 3.144 -9.592 1.00 2.30 N ATOM 1711 CA SER A 119 121.018 4.096 -9.086 1.00 2.48 C ATOM 1712 C SER A 119 119.629 3.655 -9.556 1.00 2.56 C ATOM 1713 O SER A 119 118.700 3.752 -8.770 1.00 2.75 O ATOM 1714 CB SER A 119 121.321 5.504 -9.614 1.00 3.01 C ATOM 1715 OG SER A 119 120.606 5.720 -10.824 1.00 3.39 O ATOM 1716 OXT SER A 119 119.517 3.228 -10.694 1.00 2.94 O ATOM 0 H SER A 119 122.422 2.512 -8.888 1.00 2.30 H new ATOM 0 HA SER A 119 121.042 4.108 -7.996 1.00 2.48 H new ATOM 0 HB2 SER A 119 121.037 6.251 -8.873 1.00 3.01 H new ATOM 0 HB3 SER A 119 122.391 5.617 -9.786 1.00 3.01 H new ATOM 0 HG SER A 119 121.023 5.206 -11.547 1.00 3.39 H new TER 1722 SER A 119 ATOM 1723 N MET B 1 125.861 14.457 -11.937 1.00 6.36 N ATOM 1724 CA MET B 1 124.647 13.796 -11.381 1.00 6.04 C ATOM 1725 C MET B 1 123.842 14.811 -10.565 1.00 5.46 C ATOM 1726 O MET B 1 122.894 15.398 -11.048 1.00 5.64 O ATOM 1727 CB MET B 1 125.068 12.633 -10.480 1.00 6.48 C ATOM 1728 CG MET B 1 125.810 11.588 -11.312 1.00 6.99 C ATOM 1729 SD MET B 1 124.627 10.688 -12.344 1.00 7.68 S ATOM 1730 CE MET B 1 125.760 9.395 -12.911 1.00 8.49 C ATOM 0 H1 MET B 1 126.181 13.942 -12.782 1.00 6.36 H new ATOM 0 H2 MET B 1 125.634 15.439 -12.195 1.00 6.36 H new ATOM 0 H3 MET B 1 126.617 14.453 -11.222 1.00 6.36 H new ATOM 0 HA MET B 1 124.032 13.418 -12.197 1.00 6.04 H new ATOM 0 HB2 MET B 1 125.709 12.995 -9.676 1.00 6.48 H new ATOM 0 HB3 MET B 1 124.191 12.185 -10.012 1.00 6.48 H new ATOM 0 HG2 MET B 1 126.560 12.071 -11.937 1.00 6.99 H new ATOM 0 HG3 MET B 1 126.339 10.895 -10.658 1.00 6.99 H new ATOM 0 HE1 MET B 1 125.230 8.712 -13.575 1.00 8.49 H new ATOM 0 HE2 MET B 1 126.592 9.850 -13.448 1.00 8.49 H new ATOM 0 HE3 MET B 1 126.141 8.843 -12.052 1.00 8.49 H new ATOM 1742 N ALA B 2 124.211 15.022 -9.330 1.00 5.16 N ATOM 1743 CA ALA B 2 123.464 15.998 -8.486 1.00 4.97 C ATOM 1744 C ALA B 2 121.968 15.685 -8.549 1.00 4.52 C ATOM 1745 O ALA B 2 121.256 16.181 -9.399 1.00 4.69 O ATOM 1746 CB ALA B 2 123.711 17.417 -9.005 1.00 5.53 C ATOM 0 H ALA B 2 124.996 14.561 -8.870 1.00 5.16 H new ATOM 0 HA ALA B 2 123.808 15.924 -7.454 1.00 4.97 H new ATOM 0 HB1 ALA B 2 123.165 18.130 -8.388 1.00 5.53 H new ATOM 0 HB2 ALA B 2 124.777 17.640 -8.961 1.00 5.53 H new ATOM 0 HB3 ALA B 2 123.367 17.492 -10.037 1.00 5.53 H new ATOM 1752 N SER B 3 121.486 14.863 -7.657 1.00 4.40 N ATOM 1753 CA SER B 3 120.036 14.519 -7.668 1.00 4.40 C ATOM 1754 C SER B 3 119.207 15.805 -7.651 1.00 3.85 C ATOM 1755 O SER B 3 119.127 16.490 -6.651 1.00 3.91 O ATOM 1756 CB SER B 3 119.702 13.678 -6.435 1.00 5.06 C ATOM 1757 OG SER B 3 118.302 13.433 -6.399 1.00 5.43 O ATOM 0 H SER B 3 122.033 14.415 -6.922 1.00 4.40 H new ATOM 0 HA SER B 3 119.804 13.950 -8.568 1.00 4.40 H new ATOM 0 HB2 SER B 3 120.247 12.735 -6.465 1.00 5.06 H new ATOM 0 HB3 SER B 3 120.015 14.198 -5.530 1.00 5.06 H new ATOM 0 HG SER B 3 117.855 14.161 -5.920 1.00 5.43 H new ATOM 1763 N LYS B 4 118.590 16.137 -8.753 1.00 3.85 N ATOM 1764 CA LYS B 4 117.767 17.376 -8.804 1.00 3.83 C ATOM 1765 C LYS B 4 116.614 17.296 -7.779 1.00 3.53 C ATOM 1766 O LYS B 4 116.392 18.246 -7.054 1.00 3.55 O ATOM 1767 CB LYS B 4 117.212 17.570 -10.241 1.00 4.32 C ATOM 1768 CG LYS B 4 117.672 18.913 -10.828 1.00 4.99 C ATOM 1769 CD LYS B 4 117.309 18.966 -12.313 1.00 5.68 C ATOM 1770 CE LYS B 4 117.835 20.266 -12.921 1.00 6.49 C ATOM 1771 NZ LYS B 4 119.324 20.258 -12.897 1.00 6.87 N ATOM 0 H LYS B 4 118.621 15.602 -9.621 1.00 3.85 H new ATOM 0 HA LYS B 4 118.389 18.233 -8.547 1.00 3.83 H new ATOM 0 HB2 LYS B 4 117.551 16.754 -10.879 1.00 4.32 H new ATOM 0 HB3 LYS B 4 116.123 17.530 -10.223 1.00 4.32 H new ATOM 0 HG2 LYS B 4 117.197 19.737 -10.296 1.00 4.99 H new ATOM 0 HG3 LYS B 4 118.748 19.029 -10.700 1.00 4.99 H new ATOM 0 HD2 LYS B 4 117.737 18.109 -12.834 1.00 5.68 H new ATOM 0 HD3 LYS B 4 116.228 18.906 -12.436 1.00 5.68 H new ATOM 0 HE2 LYS B 4 117.478 20.372 -13.945 1.00 6.49 H new ATOM 0 HE3 LYS B 4 117.456 21.121 -12.361 1.00 6.49 H new ATOM 0 HZ1 LYS B 4 119.688 20.505 -13.840 1.00 6.87 H new ATOM 0 HZ2 LYS B 4 119.664 20.953 -12.202 1.00 6.87 H new ATOM 0 HZ3 LYS B 4 119.662 19.311 -12.633 1.00 6.87 H new ATOM 1785 N PRO B 5 115.898 16.186 -7.741 1.00 3.77 N ATOM 1786 CA PRO B 5 114.772 16.043 -6.798 1.00 3.94 C ATOM 1787 C PRO B 5 115.291 16.098 -5.354 1.00 3.23 C ATOM 1788 O PRO B 5 116.226 15.412 -4.992 1.00 3.53 O ATOM 1789 CB PRO B 5 114.142 14.669 -7.130 1.00 4.81 C ATOM 1790 CG PRO B 5 114.927 14.078 -8.338 1.00 5.16 C ATOM 1791 CD PRO B 5 116.133 15.006 -8.606 1.00 4.43 C ATOM 0 HA PRO B 5 114.037 16.843 -6.890 1.00 3.94 H new ATOM 0 HB2 PRO B 5 114.201 14.002 -6.270 1.00 4.81 H new ATOM 0 HB3 PRO B 5 113.086 14.780 -7.376 1.00 4.81 H new ATOM 0 HG2 PRO B 5 115.264 13.065 -8.118 1.00 5.16 H new ATOM 0 HG3 PRO B 5 114.287 14.017 -9.218 1.00 5.16 H new ATOM 0 HD2 PRO B 5 117.074 14.514 -8.358 1.00 4.43 H new ATOM 0 HD3 PRO B 5 116.189 15.290 -9.657 1.00 4.43 H new ATOM 1799 N GLU B 6 114.690 16.915 -4.533 1.00 2.80 N ATOM 1800 CA GLU B 6 115.144 17.024 -3.118 1.00 2.51 C ATOM 1801 C GLU B 6 114.927 15.685 -2.404 1.00 1.85 C ATOM 1802 O GLU B 6 113.812 15.233 -2.235 1.00 2.47 O ATOM 1803 CB GLU B 6 114.345 18.128 -2.413 1.00 3.21 C ATOM 1804 CG GLU B 6 112.896 18.106 -2.908 1.00 4.08 C ATOM 1805 CD GLU B 6 112.019 18.935 -1.967 1.00 4.34 C ATOM 1806 OE1 GLU B 6 112.066 18.686 -0.774 1.00 4.54 O ATOM 1807 OE2 GLU B 6 111.316 19.803 -2.456 1.00 4.78 O ATOM 0 H GLU B 6 113.902 17.513 -4.782 1.00 2.80 H new ATOM 0 HA GLU B 6 116.205 17.273 -3.091 1.00 2.51 H new ATOM 0 HB2 GLU B 6 114.374 17.980 -1.334 1.00 3.21 H new ATOM 0 HB3 GLU B 6 114.794 19.101 -2.613 1.00 3.21 H new ATOM 0 HG2 GLU B 6 112.841 18.507 -3.920 1.00 4.08 H new ATOM 0 HG3 GLU B 6 112.531 17.080 -2.951 1.00 4.08 H new ATOM 1814 N LYS B 7 115.986 15.050 -1.981 1.00 1.12 N ATOM 1815 CA LYS B 7 115.843 13.745 -1.276 1.00 0.78 C ATOM 1816 C LYS B 7 114.913 12.830 -2.079 1.00 0.62 C ATOM 1817 O LYS B 7 114.618 13.089 -3.229 1.00 0.97 O ATOM 1818 CB LYS B 7 115.254 13.985 0.119 1.00 1.25 C ATOM 1819 CG LYS B 7 115.898 15.228 0.737 1.00 1.74 C ATOM 1820 CD LYS B 7 115.407 15.396 2.176 1.00 2.62 C ATOM 1821 CE LYS B 7 116.133 16.573 2.830 1.00 3.29 C ATOM 1822 NZ LYS B 7 115.645 16.744 4.227 1.00 4.09 N ATOM 0 H LYS B 7 116.945 15.379 -2.093 1.00 1.12 H new ATOM 0 HA LYS B 7 116.820 13.270 -1.181 1.00 0.78 H new ATOM 0 HB2 LYS B 7 114.174 14.117 0.052 1.00 1.25 H new ATOM 0 HB3 LYS B 7 115.430 13.117 0.754 1.00 1.25 H new ATOM 0 HG2 LYS B 7 116.984 15.134 0.721 1.00 1.74 H new ATOM 0 HG3 LYS B 7 115.646 16.111 0.150 1.00 1.74 H new ATOM 0 HD2 LYS B 7 114.331 15.568 2.186 1.00 2.62 H new ATOM 0 HD3 LYS B 7 115.589 14.483 2.742 1.00 2.62 H new ATOM 0 HE2 LYS B 7 117.209 16.397 2.828 1.00 3.29 H new ATOM 0 HE3 LYS B 7 115.958 17.485 2.258 1.00 3.29 H new ATOM 0 HZ1 LYS B 7 116.139 17.544 4.672 1.00 4.09 H new ATOM 0 HZ2 LYS B 7 114.622 16.931 4.217 1.00 4.09 H new ATOM 0 HZ3 LYS B 7 115.833 15.877 4.769 1.00 4.09 H new ATOM 1836 N ARG B 8 114.442 11.766 -1.478 1.00 0.48 N ATOM 1837 CA ARG B 8 113.521 10.829 -2.190 1.00 0.50 C ATOM 1838 C ARG B 8 112.095 11.134 -1.708 1.00 0.48 C ATOM 1839 O ARG B 8 111.844 12.174 -1.132 1.00 0.96 O ATOM 1840 CB ARG B 8 113.915 9.358 -1.877 1.00 0.67 C ATOM 1841 CG ARG B 8 114.963 9.291 -0.749 1.00 0.80 C ATOM 1842 CD ARG B 8 114.337 9.732 0.595 1.00 1.18 C ATOM 1843 NE ARG B 8 115.186 10.788 1.240 1.00 1.76 N ATOM 1844 CZ ARG B 8 116.479 10.636 1.366 1.00 2.26 C ATOM 1845 NH1 ARG B 8 117.051 9.525 0.987 1.00 3.04 N ATOM 1846 NH2 ARG B 8 117.197 11.591 1.889 1.00 2.64 N ATOM 0 H ARG B 8 114.658 11.505 -0.516 1.00 0.48 H new ATOM 0 HA ARG B 8 113.585 10.960 -3.270 1.00 0.50 H new ATOM 0 HB2 ARG B 8 113.028 8.795 -1.587 1.00 0.67 H new ATOM 0 HB3 ARG B 8 114.313 8.886 -2.775 1.00 0.67 H new ATOM 0 HG2 ARG B 8 115.349 8.275 -0.662 1.00 0.80 H new ATOM 0 HG3 ARG B 8 115.809 9.934 -0.992 1.00 0.80 H new ATOM 0 HD2 ARG B 8 113.331 10.116 0.427 1.00 1.18 H new ATOM 0 HD3 ARG B 8 114.244 8.874 1.260 1.00 1.18 H new ATOM 0 HE ARG B 8 114.746 11.641 1.587 1.00 1.76 H new ATOM 0 HH11 ARG B 8 116.489 8.771 0.591 1.00 3.04 H new ATOM 0 HH12 ARG B 8 118.060 9.411 1.087 1.00 3.04 H new ATOM 0 HH21 ARG B 8 116.750 12.454 2.199 1.00 2.64 H new ATOM 0 HH22 ARG B 8 118.205 11.475 1.988 1.00 2.64 H new ATOM 1860 N VAL B 9 111.163 10.251 -1.924 1.00 0.42 N ATOM 1861 CA VAL B 9 109.777 10.526 -1.456 1.00 0.36 C ATOM 1862 C VAL B 9 109.750 10.411 0.073 1.00 0.28 C ATOM 1863 O VAL B 9 110.625 9.813 0.668 1.00 0.38 O ATOM 1864 CB VAL B 9 108.815 9.517 -2.094 1.00 0.45 C ATOM 1865 CG1 VAL B 9 107.466 9.534 -1.368 1.00 0.67 C ATOM 1866 CG2 VAL B 9 108.600 9.887 -3.564 1.00 0.66 C ATOM 0 H VAL B 9 111.298 9.359 -2.400 1.00 0.42 H new ATOM 0 HA VAL B 9 109.464 11.529 -1.747 1.00 0.36 H new ATOM 0 HB VAL B 9 109.246 8.519 -2.017 1.00 0.45 H new ATOM 0 HG11 VAL B 9 106.794 8.813 -1.832 1.00 0.67 H new ATOM 0 HG12 VAL B 9 107.613 9.271 -0.321 1.00 0.67 H new ATOM 0 HG13 VAL B 9 107.030 10.531 -1.434 1.00 0.67 H new ATOM 0 HG21 VAL B 9 107.917 9.173 -4.023 1.00 0.66 H new ATOM 0 HG22 VAL B 9 108.175 10.889 -3.629 1.00 0.66 H new ATOM 0 HG23 VAL B 9 109.555 9.864 -4.089 1.00 0.66 H new ATOM 1876 N ALA B 10 108.762 10.991 0.712 1.00 0.27 N ATOM 1877 CA ALA B 10 108.680 10.934 2.209 1.00 0.35 C ATOM 1878 C ALA B 10 107.341 10.335 2.637 1.00 0.26 C ATOM 1879 O ALA B 10 106.369 10.366 1.910 1.00 0.40 O ATOM 1880 CB ALA B 10 108.797 12.352 2.770 1.00 0.58 C ATOM 0 H ALA B 10 108.005 11.504 0.260 1.00 0.27 H new ATOM 0 HA ALA B 10 109.489 10.311 2.590 1.00 0.35 H new ATOM 0 HB1 ALA B 10 108.738 12.319 3.858 1.00 0.58 H new ATOM 0 HB2 ALA B 10 109.752 12.784 2.471 1.00 0.58 H new ATOM 0 HB3 ALA B 10 107.984 12.965 2.381 1.00 0.58 H new ATOM 1886 N SER B 11 107.290 9.792 3.824 1.00 0.23 N ATOM 1887 CA SER B 11 106.023 9.186 4.327 1.00 0.22 C ATOM 1888 C SER B 11 105.977 9.328 5.850 1.00 0.23 C ATOM 1889 O SER B 11 106.988 9.242 6.518 1.00 0.30 O ATOM 1890 CB SER B 11 105.985 7.706 3.949 1.00 0.36 C ATOM 1891 OG SER B 11 105.092 7.021 4.817 1.00 1.19 O ATOM 0 H SER B 11 108.077 9.742 4.471 1.00 0.23 H new ATOM 0 HA SER B 11 105.166 9.693 3.884 1.00 0.22 H new ATOM 0 HB2 SER B 11 105.663 7.592 2.914 1.00 0.36 H new ATOM 0 HB3 SER B 11 106.983 7.275 4.022 1.00 0.36 H new ATOM 0 HG SER B 11 105.065 6.072 4.575 1.00 1.19 H new ATOM 1897 N SER B 12 104.816 9.553 6.411 1.00 0.27 N ATOM 1898 CA SER B 12 104.719 9.707 7.896 1.00 0.35 C ATOM 1899 C SER B 12 103.420 9.079 8.403 1.00 0.31 C ATOM 1900 O SER B 12 102.334 9.472 8.024 1.00 0.41 O ATOM 1901 CB SER B 12 104.738 11.193 8.255 1.00 0.52 C ATOM 1902 OG SER B 12 104.650 11.335 9.667 1.00 1.38 O ATOM 0 H SER B 12 103.933 9.637 5.907 1.00 0.27 H new ATOM 0 HA SER B 12 105.566 9.204 8.363 1.00 0.35 H new ATOM 0 HB2 SER B 12 105.654 11.656 7.887 1.00 0.52 H new ATOM 0 HB3 SER B 12 103.906 11.706 7.773 1.00 0.52 H new ATOM 0 HG SER B 12 104.663 12.286 9.902 1.00 1.38 H new ATOM 1908 N VAL B 13 103.530 8.108 9.267 1.00 0.27 N ATOM 1909 CA VAL B 13 102.319 7.445 9.822 1.00 0.27 C ATOM 1910 C VAL B 13 102.687 6.782 11.146 1.00 0.32 C ATOM 1911 O VAL B 13 103.856 6.621 11.465 1.00 0.41 O ATOM 1912 CB VAL B 13 101.807 6.389 8.839 1.00 0.32 C ATOM 1913 CG1 VAL B 13 102.952 5.459 8.433 1.00 0.42 C ATOM 1914 CG2 VAL B 13 100.689 5.568 9.494 1.00 0.41 C ATOM 0 H VAL B 13 104.417 7.743 9.615 1.00 0.27 H new ATOM 0 HA VAL B 13 101.534 8.184 9.982 1.00 0.27 H new ATOM 0 HB VAL B 13 101.417 6.889 7.953 1.00 0.32 H new ATOM 0 HG11 VAL B 13 102.582 4.710 7.733 1.00 0.42 H new ATOM 0 HG12 VAL B 13 103.742 6.040 7.957 1.00 0.42 H new ATOM 0 HG13 VAL B 13 103.350 4.963 9.319 1.00 0.42 H new ATOM 0 HG21 VAL B 13 100.328 4.818 8.790 1.00 0.41 H new ATOM 0 HG22 VAL B 13 101.075 5.073 10.385 1.00 0.41 H new ATOM 0 HG23 VAL B 13 99.868 6.229 9.773 1.00 0.41 H new ATOM 1924 N PHE B 14 101.706 6.395 11.923 1.00 0.36 N ATOM 1925 CA PHE B 14 102.019 5.743 13.226 1.00 0.45 C ATOM 1926 C PHE B 14 100.756 5.315 13.975 1.00 0.34 C ATOM 1927 O PHE B 14 99.658 5.347 13.457 1.00 0.35 O ATOM 1928 CB PHE B 14 102.792 6.704 14.121 1.00 0.59 C ATOM 1929 CG PHE B 14 101.922 7.860 14.577 1.00 0.71 C ATOM 1930 CD1 PHE B 14 101.422 8.781 13.646 1.00 0.70 C ATOM 1931 CD2 PHE B 14 101.631 8.021 15.938 1.00 1.40 C ATOM 1932 CE1 PHE B 14 100.632 9.851 14.076 1.00 1.03 C ATOM 1933 CE2 PHE B 14 100.843 9.092 16.367 1.00 1.79 C ATOM 1934 CZ PHE B 14 100.342 10.008 15.436 1.00 1.54 C ATOM 0 H PHE B 14 100.714 6.502 11.713 1.00 0.36 H new ATOM 0 HA PHE B 14 102.613 4.858 12.998 1.00 0.45 H new ATOM 0 HB2 PHE B 14 103.171 6.168 14.991 1.00 0.59 H new ATOM 0 HB3 PHE B 14 103.657 7.089 13.582 1.00 0.59 H new ATOM 0 HD1 PHE B 14 101.647 8.664 12.596 1.00 0.70 H new ATOM 0 HD2 PHE B 14 102.017 7.315 16.658 1.00 1.40 H new ATOM 0 HE1 PHE B 14 100.245 10.558 13.357 1.00 1.03 H new ATOM 0 HE2 PHE B 14 100.621 9.213 17.417 1.00 1.79 H new ATOM 0 HZ PHE B 14 99.732 10.836 15.767 1.00 1.54 H new ATOM 1944 N ILE B 15 100.932 4.913 15.214 1.00 0.34 N ATOM 1945 CA ILE B 15 99.787 4.474 16.053 1.00 0.33 C ATOM 1946 C ILE B 15 100.114 4.794 17.520 1.00 0.31 C ATOM 1947 O ILE B 15 101.008 5.562 17.806 1.00 0.58 O ATOM 1948 CB ILE B 15 99.594 2.963 15.879 1.00 0.51 C ATOM 1949 CG1 ILE B 15 100.961 2.285 15.752 1.00 0.62 C ATOM 1950 CG2 ILE B 15 98.774 2.684 14.616 1.00 0.83 C ATOM 1951 CD1 ILE B 15 100.779 0.765 15.781 1.00 1.25 C ATOM 0 H ILE B 15 101.839 4.873 15.679 1.00 0.34 H new ATOM 0 HA ILE B 15 98.872 4.988 15.758 1.00 0.33 H new ATOM 0 HB ILE B 15 99.066 2.569 16.747 1.00 0.51 H new ATOM 0 HG12 ILE B 15 101.444 2.587 14.823 1.00 0.62 H new ATOM 0 HG13 ILE B 15 101.613 2.600 16.567 1.00 0.62 H new ATOM 0 HG21 ILE B 15 98.641 1.609 14.499 1.00 0.83 H new ATOM 0 HG22 ILE B 15 97.799 3.163 14.702 1.00 0.83 H new ATOM 0 HG23 ILE B 15 99.298 3.082 13.747 1.00 0.83 H new ATOM 0 HD11 ILE B 15 101.751 0.280 15.691 1.00 1.25 H new ATOM 0 HD12 ILE B 15 100.314 0.472 16.722 1.00 1.25 H new ATOM 0 HD13 ILE B 15 100.142 0.459 14.951 1.00 1.25 H new ATOM 1963 N THR B 16 99.410 4.213 18.453 1.00 0.35 N ATOM 1964 CA THR B 16 99.710 4.502 19.888 1.00 0.47 C ATOM 1965 C THR B 16 99.120 3.404 20.775 1.00 0.31 C ATOM 1966 O THR B 16 98.081 2.848 20.482 1.00 0.35 O ATOM 1967 CB THR B 16 99.099 5.850 20.276 1.00 0.75 C ATOM 1968 OG1 THR B 16 99.024 5.944 21.692 1.00 1.61 O ATOM 1969 CG2 THR B 16 97.696 5.966 19.679 1.00 1.40 C ATOM 0 H THR B 16 98.647 3.557 18.288 1.00 0.35 H new ATOM 0 HA THR B 16 100.791 4.535 20.027 1.00 0.47 H new ATOM 0 HB THR B 16 99.722 6.657 19.891 1.00 0.75 H new ATOM 0 HG1 THR B 16 99.858 5.613 22.086 1.00 1.61 H new ATOM 0 HG21 THR B 16 97.261 6.926 19.956 1.00 1.40 H new ATOM 0 HG22 THR B 16 97.756 5.894 18.593 1.00 1.40 H new ATOM 0 HG23 THR B 16 97.070 5.160 20.062 1.00 1.40 H new ATOM 1977 N LEU B 17 99.775 3.089 21.866 1.00 0.39 N ATOM 1978 CA LEU B 17 99.247 2.029 22.778 1.00 0.44 C ATOM 1979 C LEU B 17 98.361 2.673 23.845 1.00 0.31 C ATOM 1980 O LEU B 17 98.834 3.352 24.738 1.00 0.54 O ATOM 1981 CB LEU B 17 100.411 1.296 23.458 1.00 0.72 C ATOM 1982 CG LEU B 17 101.465 0.884 22.419 1.00 0.83 C ATOM 1983 CD1 LEU B 17 102.442 -0.108 23.058 1.00 1.06 C ATOM 1984 CD2 LEU B 17 100.787 0.216 21.215 1.00 1.32 C ATOM 0 H LEU B 17 100.651 3.520 22.163 1.00 0.39 H new ATOM 0 HA LEU B 17 98.664 1.314 22.197 1.00 0.44 H new ATOM 0 HB2 LEU B 17 100.865 1.941 24.210 1.00 0.72 H new ATOM 0 HB3 LEU B 17 100.039 0.413 23.978 1.00 0.72 H new ATOM 0 HG LEU B 17 101.999 1.772 22.082 1.00 0.83 H new ATOM 0 HD11 LEU B 17 103.192 -0.404 22.325 1.00 1.06 H new ATOM 0 HD12 LEU B 17 102.933 0.362 23.910 1.00 1.06 H new ATOM 0 HD13 LEU B 17 101.897 -0.990 23.395 1.00 1.06 H new ATOM 0 HD21 LEU B 17 101.543 -0.072 20.485 1.00 1.32 H new ATOM 0 HD22 LEU B 17 100.247 -0.671 21.547 1.00 1.32 H new ATOM 0 HD23 LEU B 17 100.088 0.916 20.757 1.00 1.32 H new ATOM 1996 N ALA B 18 97.074 2.461 23.750 1.00 0.52 N ATOM 1997 CA ALA B 18 96.120 3.047 24.740 1.00 0.66 C ATOM 1998 C ALA B 18 95.056 1.990 25.087 1.00 0.98 C ATOM 1999 O ALA B 18 93.986 2.003 24.512 1.00 1.45 O ATOM 2000 CB ALA B 18 95.428 4.256 24.107 1.00 0.88 C ATOM 0 H ALA B 18 96.637 1.899 23.019 1.00 0.52 H new ATOM 0 HA ALA B 18 96.654 3.352 25.640 1.00 0.66 H new ATOM 0 HB1 ALA B 18 94.729 4.691 24.822 1.00 0.88 H new ATOM 0 HB2 ALA B 18 96.175 5.000 23.831 1.00 0.88 H new ATOM 0 HB3 ALA B 18 94.885 3.940 23.216 1.00 0.88 H new ATOM 2006 N PRO B 19 95.369 1.086 25.997 1.00 0.94 N ATOM 2007 CA PRO B 19 94.418 0.022 26.371 1.00 1.27 C ATOM 2008 C PRO B 19 93.120 0.650 26.919 1.00 1.36 C ATOM 2009 O PRO B 19 93.094 1.828 27.217 1.00 1.39 O ATOM 2010 CB PRO B 19 95.156 -0.814 27.445 1.00 1.43 C ATOM 2011 CG PRO B 19 96.592 -0.228 27.587 1.00 1.50 C ATOM 2012 CD PRO B 19 96.662 1.046 26.717 1.00 1.03 C ATOM 0 HA PRO B 19 94.121 -0.602 25.528 1.00 1.27 H new ATOM 0 HB2 PRO B 19 94.627 -0.768 28.397 1.00 1.43 H new ATOM 0 HB3 PRO B 19 95.197 -1.863 27.153 1.00 1.43 H new ATOM 0 HG2 PRO B 19 96.809 0.007 28.629 1.00 1.50 H new ATOM 0 HG3 PRO B 19 97.337 -0.955 27.263 1.00 1.50 H new ATOM 0 HD2 PRO B 19 96.801 1.936 27.330 1.00 1.03 H new ATOM 0 HD3 PRO B 19 97.500 1.004 26.022 1.00 1.03 H new ATOM 2020 N PRO B 20 92.077 -0.148 27.037 1.00 1.82 N ATOM 2021 CA PRO B 20 90.785 0.345 27.548 1.00 2.19 C ATOM 2022 C PRO B 20 90.984 1.025 28.909 1.00 2.03 C ATOM 2023 O PRO B 20 92.094 1.210 29.368 1.00 2.30 O ATOM 2024 CB PRO B 20 89.893 -0.915 27.661 1.00 2.76 C ATOM 2025 CG PRO B 20 90.723 -2.124 27.136 1.00 2.86 C ATOM 2026 CD PRO B 20 92.098 -1.584 26.683 1.00 2.30 C ATOM 0 HA PRO B 20 90.330 1.092 26.898 1.00 2.19 H new ATOM 0 HB2 PRO B 20 89.589 -1.078 28.695 1.00 2.76 H new ATOM 0 HB3 PRO B 20 88.981 -0.793 27.076 1.00 2.76 H new ATOM 0 HG2 PRO B 20 90.845 -2.874 27.918 1.00 2.86 H new ATOM 0 HG3 PRO B 20 90.210 -2.609 26.306 1.00 2.86 H new ATOM 0 HD2 PRO B 20 92.913 -2.104 27.188 1.00 2.30 H new ATOM 0 HD3 PRO B 20 92.245 -1.725 25.612 1.00 2.30 H new ATOM 2034 N ARG B 21 89.913 1.401 29.553 1.00 2.36 N ATOM 2035 CA ARG B 21 90.033 2.070 30.878 1.00 2.57 C ATOM 2036 C ARG B 21 90.778 1.156 31.852 1.00 2.31 C ATOM 2037 O ARG B 21 90.447 -0.002 32.009 1.00 2.48 O ATOM 2038 CB ARG B 21 88.634 2.365 31.424 1.00 3.03 C ATOM 2039 CG ARG B 21 87.993 3.492 30.608 1.00 3.84 C ATOM 2040 CD ARG B 21 86.486 3.522 30.869 1.00 4.42 C ATOM 2041 NE ARG B 21 85.833 2.404 30.131 1.00 4.90 N ATOM 2042 CZ ARG B 21 84.615 2.045 30.431 1.00 5.50 C ATOM 2043 NH1 ARG B 21 83.969 2.659 31.384 1.00 5.76 N ATOM 2044 NH2 ARG B 21 84.042 1.070 29.779 1.00 6.12 N ATOM 0 H ARG B 21 88.958 1.273 29.217 1.00 2.36 H new ATOM 0 HA ARG B 21 90.587 3.002 30.765 1.00 2.57 H new ATOM 0 HB2 ARG B 21 88.016 1.469 31.373 1.00 3.03 H new ATOM 0 HB3 ARG B 21 88.695 2.651 32.474 1.00 3.03 H new ATOM 0 HG2 ARG B 21 88.438 4.449 30.879 1.00 3.84 H new ATOM 0 HG3 ARG B 21 88.185 3.340 29.546 1.00 3.84 H new ATOM 0 HD2 ARG B 21 86.289 3.431 31.937 1.00 4.42 H new ATOM 0 HD3 ARG B 21 86.069 4.477 30.548 1.00 4.42 H new ATOM 0 HE ARG B 21 86.339 1.919 29.390 1.00 4.90 H new ATOM 0 HH11 ARG B 21 84.416 3.420 31.895 1.00 5.76 H new ATOM 0 HH12 ARG B 21 83.017 2.378 31.618 1.00 5.76 H new ATOM 0 HH21 ARG B 21 84.546 0.588 29.035 1.00 6.12 H new ATOM 0 HH22 ARG B 21 83.090 0.790 30.014 1.00 6.12 H new ATOM 2058 N ARG B 22 91.781 1.669 32.512 1.00 2.49 N ATOM 2059 CA ARG B 22 92.544 0.832 33.480 1.00 2.63 C ATOM 2060 C ARG B 22 91.594 0.318 34.564 1.00 3.03 C ATOM 2061 O ARG B 22 90.753 1.043 35.057 1.00 3.54 O ATOM 2062 CB ARG B 22 93.644 1.679 34.126 1.00 3.15 C ATOM 2063 CG ARG B 22 94.620 2.168 33.048 1.00 3.73 C ATOM 2064 CD ARG B 22 95.445 3.343 33.586 1.00 4.34 C ATOM 2065 NE ARG B 22 94.650 4.598 33.480 1.00 4.97 N ATOM 2066 CZ ARG B 22 95.013 5.659 34.147 1.00 5.65 C ATOM 2067 NH1 ARG B 22 96.067 5.618 34.915 1.00 6.29 N ATOM 2068 NH2 ARG B 22 94.322 6.762 34.046 1.00 5.95 N ATOM 0 H ARG B 22 92.105 2.632 32.422 1.00 2.49 H new ATOM 0 HA ARG B 22 92.994 -0.013 32.959 1.00 2.63 H new ATOM 0 HB2 ARG B 22 93.203 2.530 34.645 1.00 3.15 H new ATOM 0 HB3 ARG B 22 94.177 1.091 34.873 1.00 3.15 H new ATOM 0 HG2 ARG B 22 95.281 1.355 32.748 1.00 3.73 H new ATOM 0 HG3 ARG B 22 94.069 2.476 32.159 1.00 3.73 H new ATOM 0 HD2 ARG B 22 95.721 3.162 34.625 1.00 4.34 H new ATOM 0 HD3 ARG B 22 96.372 3.439 33.021 1.00 4.34 H new ATOM 0 HE ARG B 22 93.822 4.628 32.886 1.00 4.97 H new ATOM 0 HH11 ARG B 22 96.607 4.756 34.994 1.00 6.29 H new ATOM 0 HH12 ARG B 22 96.351 6.448 35.436 1.00 6.29 H new ATOM 0 HH21 ARG B 22 93.498 6.794 33.446 1.00 5.95 H new ATOM 0 HH22 ARG B 22 94.606 7.591 34.568 1.00 5.95 H new ATOM 2082 N ASP B 23 91.715 -0.926 34.938 1.00 3.45 N ATOM 2083 CA ASP B 23 90.813 -1.476 35.989 1.00 4.32 C ATOM 2084 C ASP B 23 91.426 -2.745 36.584 1.00 4.48 C ATOM 2085 O ASP B 23 90.772 -3.488 37.290 1.00 4.75 O ATOM 2086 CB ASP B 23 89.454 -1.810 35.370 1.00 5.13 C ATOM 2087 CG ASP B 23 88.462 -2.165 36.479 1.00 5.30 C ATOM 2088 OD1 ASP B 23 88.674 -1.727 37.598 1.00 5.51 O ATOM 2089 OD2 ASP B 23 87.509 -2.869 36.190 1.00 5.62 O ATOM 0 H ASP B 23 92.398 -1.584 34.562 1.00 3.45 H new ATOM 0 HA ASP B 23 90.684 -0.734 36.777 1.00 4.32 H new ATOM 0 HB2 ASP B 23 89.085 -0.960 34.796 1.00 5.13 H new ATOM 0 HB3 ASP B 23 89.554 -2.644 34.676 1.00 5.13 H new ATOM 2094 N VAL B 24 92.674 -3.001 36.308 1.00 4.81 N ATOM 2095 CA VAL B 24 93.322 -4.224 36.861 1.00 5.43 C ATOM 2096 C VAL B 24 93.358 -4.134 38.388 1.00 5.81 C ATOM 2097 O VAL B 24 92.724 -3.240 38.925 1.00 6.21 O ATOM 2098 CB VAL B 24 94.749 -4.335 36.323 1.00 5.94 C ATOM 2099 CG1 VAL B 24 94.713 -4.438 34.797 1.00 6.48 C ATOM 2100 CG2 VAL B 24 95.544 -3.093 36.732 1.00 6.36 C ATOM 2101 OXT VAL B 24 94.019 -4.961 38.995 1.00 6.07 O ATOM 0 H VAL B 24 93.273 -2.417 35.724 1.00 4.81 H new ATOM 0 HA VAL B 24 92.753 -5.104 36.561 1.00 5.43 H new ATOM 0 HB VAL B 24 95.225 -5.225 36.735 1.00 5.94 H new ATOM 0 HG11 VAL B 24 95.730 -4.517 34.414 1.00 6.48 H new ATOM 0 HG12 VAL B 24 94.145 -5.322 34.505 1.00 6.48 H new ATOM 0 HG13 VAL B 24 94.238 -3.549 34.383 1.00 6.48 H new ATOM 0 HG21 VAL B 24 96.562 -3.170 36.349 1.00 6.36 H new ATOM 0 HG22 VAL B 24 95.068 -2.204 36.319 1.00 6.36 H new ATOM 0 HG23 VAL B 24 95.570 -3.019 37.819 1.00 6.36 H new TER 2111 VAL B 24