USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 405 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 111 CYS SG : rot 17:sc= 0.149 USER MOD Set 1.2: A 119 HIS : no HD1:sc= -3.12 K(o=0.26,f=-2) USER MOD Set 1.3: A 134 CYS SG : rot 178:sc= 0.352 USER MOD Set 1.4: A 137 CYS SG : rot 74:sc= 0.424 USER MOD Set 1.5: A 139 SER OG : rot 131:sc= 2.36 USER MOD Set 1.6: A 141 TYR OH : rot 63:sc= 0.105 USER MOD Single : A 94 MET CE :methyl -175:sc= 0 (180deg=-0.0319) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -134:sc= 0.909 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 169:sc= -0.332 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 122 MET CE :methyl -158:sc= -1.38 (180deg=-2.3) USER MOD Single : A 125 LYS NZ :NH3+ 177:sc= 0.323 (180deg=0.315) USER MOD Single : A 127 THR OG1 : rot 164:sc= 1.39 USER MOD Single : A 129 ASN : amide:sc= 0.142 X(o=0.14,f=0) USER MOD Single : A 142 LYS NZ :NH3+ 172:sc= 1.96 (180deg=1.89) USER MOD Single : A 144 ASN : amide:sc= -2.89 K(o=-2.9,f=-8.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -6.405 -7.937 -0.362 1.00 0.79 N ATOM 2 CA MET A 94 -7.015 -7.710 0.953 1.00 0.79 C ATOM 3 C MET A 94 -6.814 -8.804 2.002 1.00 0.94 C ATOM 4 O MET A 94 -7.704 -9.201 2.747 1.00 1.96 O ATOM 5 CB MET A 94 -8.507 -7.473 0.788 1.00 0.86 C ATOM 6 CG MET A 94 -8.849 -6.726 -0.500 1.00 0.82 C ATOM 7 SD MET A 94 -10.367 -5.742 -0.564 1.00 1.11 S ATOM 8 CE MET A 94 -11.563 -6.982 -0.003 1.00 2.19 C ATOM 0 HA MET A 94 -6.486 -6.840 1.341 1.00 0.79 H new ATOM 0 HB2 MET A 94 -9.025 -8.432 0.795 1.00 0.86 H new ATOM 0 HB3 MET A 94 -8.876 -6.904 1.641 1.00 0.86 H new ATOM 0 HG2 MET A 94 -8.016 -6.061 -0.727 1.00 0.82 H new ATOM 0 HG3 MET A 94 -8.898 -7.461 -1.304 1.00 0.82 H new ATOM 0 HE1 MET A 94 -12.570 -6.571 -0.067 1.00 2.19 H new ATOM 0 HE2 MET A 94 -11.492 -7.868 -0.634 1.00 2.19 H new ATOM 0 HE3 MET A 94 -11.347 -7.254 1.030 1.00 2.19 H new ATOM 18 N LYS A 95 -5.606 -9.309 2.012 1.00 0.82 N ATOM 19 CA LYS A 95 -5.045 -10.046 3.125 1.00 0.86 C ATOM 20 C LYS A 95 -3.888 -9.212 3.656 1.00 0.94 C ATOM 21 O LYS A 95 -4.052 -8.063 4.044 1.00 1.82 O ATOM 22 CB LYS A 95 -4.696 -11.479 2.647 1.00 0.86 C ATOM 23 CG LYS A 95 -3.885 -11.491 1.337 1.00 0.80 C ATOM 24 CD LYS A 95 -2.602 -12.323 1.400 1.00 0.79 C ATOM 25 CE LYS A 95 -1.719 -12.048 0.178 1.00 0.97 C ATOM 26 NZ LYS A 95 -2.281 -12.608 -1.079 1.00 2.83 N ATOM 0 H LYS A 95 -4.964 -9.218 1.225 1.00 0.82 H new ATOM 0 HA LYS A 95 -5.730 -10.198 3.959 1.00 0.86 H new ATOM 0 HB2 LYS A 95 -4.128 -11.988 3.425 1.00 0.86 H new ATOM 0 HB3 LYS A 95 -5.617 -12.044 2.504 1.00 0.86 H new ATOM 0 HG2 LYS A 95 -4.516 -11.877 0.536 1.00 0.80 H new ATOM 0 HG3 LYS A 95 -3.627 -10.465 1.073 1.00 0.80 H new ATOM 0 HD2 LYS A 95 -2.054 -12.087 2.312 1.00 0.79 H new ATOM 0 HD3 LYS A 95 -2.852 -13.383 1.444 1.00 0.79 H new ATOM 0 HE2 LYS A 95 -1.589 -10.972 0.064 1.00 0.97 H new ATOM 0 HE3 LYS A 95 -0.729 -12.472 0.348 1.00 0.97 H new ATOM 0 HZ1 LYS A 95 -1.643 -12.392 -1.871 1.00 2.83 H new ATOM 0 HZ2 LYS A 95 -2.380 -13.639 -0.986 1.00 2.83 H new ATOM 0 HZ3 LYS A 95 -3.214 -12.185 -1.261 1.00 2.83 H new ATOM 40 N ASP A 96 -2.710 -9.789 3.578 1.00 0.59 N ATOM 41 CA ASP A 96 -1.465 -9.241 4.037 1.00 0.63 C ATOM 42 C ASP A 96 -0.469 -9.365 2.847 1.00 0.59 C ATOM 43 O ASP A 96 0.164 -10.401 2.646 1.00 0.73 O ATOM 44 CB ASP A 96 -1.247 -10.053 5.297 1.00 0.86 C ATOM 45 CG ASP A 96 -0.015 -9.631 6.079 1.00 1.34 C ATOM 46 OD1 ASP A 96 -0.037 -8.463 6.531 1.00 2.65 O ATOM 47 OD2 ASP A 96 0.880 -10.484 6.255 1.00 1.91 O ATOM 0 H ASP A 96 -2.595 -10.714 3.164 1.00 0.59 H new ATOM 0 HA ASP A 96 -1.377 -8.188 4.303 1.00 0.63 H new ATOM 0 HB2 ASP A 96 -2.124 -9.960 5.937 1.00 0.86 H new ATOM 0 HB3 ASP A 96 -1.157 -11.106 5.031 1.00 0.86 H new ATOM 52 N PRO A 97 -0.531 -8.390 1.911 1.00 0.47 N ATOM 53 CA PRO A 97 0.158 -8.334 0.610 1.00 0.48 C ATOM 54 C PRO A 97 1.554 -7.716 0.686 1.00 0.48 C ATOM 55 O PRO A 97 2.504 -8.196 0.077 1.00 0.76 O ATOM 56 CB PRO A 97 -0.722 -7.399 -0.249 1.00 0.48 C ATOM 57 CG PRO A 97 -1.404 -6.491 0.771 1.00 0.43 C ATOM 58 CD PRO A 97 -1.594 -7.410 1.945 1.00 0.46 C ATOM 0 HA PRO A 97 0.287 -9.343 0.219 1.00 0.48 H new ATOM 0 HB2 PRO A 97 -0.123 -6.825 -0.956 1.00 0.48 H new ATOM 0 HB3 PRO A 97 -1.451 -7.962 -0.832 1.00 0.48 H new ATOM 0 HG2 PRO A 97 -0.786 -5.630 1.025 1.00 0.43 H new ATOM 0 HG3 PRO A 97 -2.353 -6.104 0.400 1.00 0.43 H new ATOM 0 HD2 PRO A 97 -1.567 -6.848 2.879 1.00 0.46 H new ATOM 0 HD3 PRO A 97 -2.567 -7.899 1.895 1.00 0.46 H new ATOM 66 N ILE A 98 1.605 -6.577 1.366 1.00 0.41 N ATOM 67 CA ILE A 98 2.673 -5.610 1.533 1.00 0.44 C ATOM 68 C ILE A 98 2.454 -5.089 2.941 1.00 0.41 C ATOM 69 O ILE A 98 1.316 -4.866 3.355 1.00 0.38 O ATOM 70 CB ILE A 98 2.570 -4.415 0.568 1.00 0.50 C ATOM 71 CG1 ILE A 98 2.153 -4.746 -0.894 1.00 0.54 C ATOM 72 CG2 ILE A 98 3.884 -3.620 0.706 1.00 0.56 C ATOM 73 CD1 ILE A 98 3.299 -4.917 -1.884 1.00 0.54 C ATOM 0 H ILE A 98 0.780 -6.273 1.883 1.00 0.41 H new ATOM 0 HA ILE A 98 3.641 -6.073 1.343 1.00 0.44 H new ATOM 0 HB ILE A 98 1.721 -3.797 0.859 1.00 0.50 H new ATOM 0 HG12 ILE A 98 1.564 -5.663 -0.886 1.00 0.54 H new ATOM 0 HG13 ILE A 98 1.500 -3.951 -1.255 1.00 0.54 H new ATOM 0 HG21 ILE A 98 3.860 -2.759 0.039 1.00 0.56 H new ATOM 0 HG22 ILE A 98 3.996 -3.279 1.735 1.00 0.56 H new ATOM 0 HG23 ILE A 98 4.726 -4.260 0.442 1.00 0.56 H new ATOM 0 HD11 ILE A 98 2.896 -5.145 -2.871 1.00 0.54 H new ATOM 0 HD12 ILE A 98 3.878 -3.995 -1.933 1.00 0.54 H new ATOM 0 HD13 ILE A 98 3.943 -5.733 -1.558 1.00 0.54 H new ATOM 85 N ILE A 99 3.549 -4.866 3.637 1.00 0.44 N ATOM 86 CA ILE A 99 3.577 -4.462 5.032 1.00 0.43 C ATOM 87 C ILE A 99 4.024 -3.019 5.146 1.00 0.46 C ATOM 88 O ILE A 99 4.934 -2.605 4.436 1.00 0.64 O ATOM 89 CB ILE A 99 4.528 -5.402 5.796 1.00 0.56 C ATOM 90 CG1 ILE A 99 3.925 -6.818 5.867 1.00 0.60 C ATOM 91 CG2 ILE A 99 4.886 -4.869 7.191 1.00 0.65 C ATOM 92 CD1 ILE A 99 2.801 -6.985 6.899 1.00 0.63 C ATOM 0 H ILE A 99 4.481 -4.964 3.234 1.00 0.44 H new ATOM 0 HA ILE A 99 2.580 -4.533 5.466 1.00 0.43 H new ATOM 0 HB ILE A 99 5.466 -5.448 5.242 1.00 0.56 H new ATOM 0 HG12 ILE A 99 3.539 -7.084 4.883 1.00 0.60 H new ATOM 0 HG13 ILE A 99 4.721 -7.526 6.099 1.00 0.60 H new ATOM 0 HG21 ILE A 99 5.558 -5.569 7.687 1.00 0.65 H new ATOM 0 HG22 ILE A 99 5.377 -3.900 7.096 1.00 0.65 H new ATOM 0 HG23 ILE A 99 3.977 -4.758 7.782 1.00 0.65 H new ATOM 0 HD11 ILE A 99 2.438 -8.012 6.878 1.00 0.63 H new ATOM 0 HD12 ILE A 99 3.183 -6.755 7.894 1.00 0.63 H new ATOM 0 HD13 ILE A 99 1.983 -6.306 6.659 1.00 0.63 H new ATOM 104 N ILE A 100 3.395 -2.286 6.064 1.00 0.37 N ATOM 105 CA ILE A 100 3.746 -0.931 6.485 1.00 0.38 C ATOM 106 C ILE A 100 3.807 -0.857 8.004 1.00 0.41 C ATOM 107 O ILE A 100 2.773 -0.899 8.666 1.00 0.51 O ATOM 108 CB ILE A 100 2.689 0.053 5.934 1.00 0.37 C ATOM 109 CG1 ILE A 100 2.601 -0.052 4.389 1.00 0.39 C ATOM 110 CG2 ILE A 100 2.957 1.504 6.390 1.00 0.45 C ATOM 111 CD1 ILE A 100 3.915 0.305 3.689 1.00 0.46 C ATOM 0 H ILE A 100 2.580 -2.643 6.562 1.00 0.37 H new ATOM 0 HA ILE A 100 4.727 -0.663 6.093 1.00 0.38 H new ATOM 0 HB ILE A 100 1.722 -0.231 6.350 1.00 0.37 H new ATOM 0 HG12 ILE A 100 2.314 -1.067 4.115 1.00 0.39 H new ATOM 0 HG13 ILE A 100 1.813 0.610 4.030 1.00 0.39 H new ATOM 0 HG21 ILE A 100 2.191 2.162 5.980 1.00 0.45 H new ATOM 0 HG22 ILE A 100 2.933 1.554 7.479 1.00 0.45 H new ATOM 0 HG23 ILE A 100 3.937 1.822 6.034 1.00 0.45 H new ATOM 0 HD11 ILE A 100 3.789 0.212 2.610 1.00 0.46 H new ATOM 0 HD12 ILE A 100 4.192 1.330 3.936 1.00 0.46 H new ATOM 0 HD13 ILE A 100 4.701 -0.373 4.022 1.00 0.46 H new ATOM 123 N GLU A 101 5.023 -0.714 8.517 1.00 0.52 N ATOM 124 CA GLU A 101 5.337 -0.550 9.936 1.00 0.60 C ATOM 125 C GLU A 101 4.767 0.732 10.523 1.00 0.65 C ATOM 126 O GLU A 101 4.876 1.825 9.960 1.00 0.84 O ATOM 127 CB GLU A 101 6.847 -0.575 10.183 1.00 0.78 C ATOM 128 CG GLU A 101 7.398 -2.004 10.225 1.00 1.20 C ATOM 129 CD GLU A 101 7.606 -2.633 8.844 1.00 2.67 C ATOM 130 OE1 GLU A 101 7.465 -1.905 7.833 1.00 4.19 O ATOM 131 OE2 GLU A 101 7.851 -3.856 8.825 1.00 3.29 O ATOM 0 H GLU A 101 5.857 -0.709 7.930 1.00 0.52 H new ATOM 0 HA GLU A 101 4.867 -1.396 10.437 1.00 0.60 H new ATOM 0 HB2 GLU A 101 7.352 -0.015 9.396 1.00 0.78 H new ATOM 0 HB3 GLU A 101 7.069 -0.073 11.125 1.00 0.78 H new ATOM 0 HG2 GLU A 101 8.349 -2.000 10.758 1.00 1.20 H new ATOM 0 HG3 GLU A 101 6.714 -2.629 10.798 1.00 1.20 H new ATOM 138 N SER A 102 4.212 0.596 11.718 1.00 0.68 N ATOM 139 CA SER A 102 3.563 1.677 12.437 1.00 0.88 C ATOM 140 C SER A 102 3.353 1.288 13.894 1.00 1.23 C ATOM 141 O SER A 102 2.867 0.197 14.149 1.00 2.80 O ATOM 142 CB SER A 102 2.206 1.927 11.789 1.00 0.95 C ATOM 143 OG SER A 102 1.553 2.960 12.477 1.00 1.89 O ATOM 0 H SER A 102 4.201 -0.289 12.224 1.00 0.68 H new ATOM 0 HA SER A 102 4.184 2.572 12.398 1.00 0.88 H new ATOM 0 HB2 SER A 102 2.334 2.195 10.740 1.00 0.95 H new ATOM 0 HB3 SER A 102 1.604 1.019 11.814 1.00 0.95 H new ATOM 0 HG SER A 102 0.622 2.703 12.646 1.00 1.89 H new ATOM 149 N TYR A 103 3.673 2.166 14.848 1.00 0.94 N ATOM 150 CA TYR A 103 3.236 1.975 16.240 1.00 0.85 C ATOM 151 C TYR A 103 1.828 2.581 16.466 1.00 0.89 C ATOM 152 O TYR A 103 1.261 2.430 17.545 1.00 1.59 O ATOM 153 CB TYR A 103 4.316 2.518 17.194 1.00 1.19 C ATOM 154 CG TYR A 103 5.686 1.838 17.131 1.00 1.37 C ATOM 155 CD1 TYR A 103 5.913 0.674 16.360 1.00 1.99 C ATOM 156 CD2 TYR A 103 6.763 2.393 17.851 1.00 2.53 C ATOM 157 CE1 TYR A 103 7.194 0.109 16.253 1.00 2.08 C ATOM 158 CE2 TYR A 103 8.049 1.821 17.770 1.00 2.88 C ATOM 159 CZ TYR A 103 8.271 0.684 16.961 1.00 2.06 C ATOM 160 OH TYR A 103 9.516 0.146 16.858 1.00 2.50 O ATOM 0 H TYR A 103 4.226 3.008 14.689 1.00 0.94 H new ATOM 0 HA TYR A 103 3.127 0.913 16.460 1.00 0.85 H new ATOM 0 HB2 TYR A 103 4.452 3.579 16.987 1.00 1.19 H new ATOM 0 HB3 TYR A 103 3.942 2.438 18.215 1.00 1.19 H new ATOM 0 HD1 TYR A 103 5.085 0.211 15.844 1.00 1.99 H new ATOM 0 HD2 TYR A 103 6.602 3.263 18.470 1.00 2.53 H new ATOM 0 HE1 TYR A 103 7.354 -0.760 15.633 1.00 2.08 H new ATOM 0 HE2 TYR A 103 8.867 2.253 18.328 1.00 2.88 H new ATOM 0 HH TYR A 103 10.142 0.662 17.408 1.00 2.50 H new ATOM 170 N ASP A 104 1.268 3.241 15.439 1.00 0.85 N ATOM 171 CA ASP A 104 -0.123 3.690 15.344 1.00 0.80 C ATOM 172 C ASP A 104 -0.975 2.661 14.576 1.00 0.97 C ATOM 173 O ASP A 104 -0.496 1.942 13.700 1.00 2.12 O ATOM 174 CB ASP A 104 -0.250 5.040 14.605 1.00 0.92 C ATOM 175 CG ASP A 104 0.868 6.058 14.858 1.00 1.34 C ATOM 176 OD1 ASP A 104 1.082 6.428 16.034 1.00 1.83 O ATOM 177 OD2 ASP A 104 1.470 6.498 13.850 1.00 2.45 O ATOM 0 H ASP A 104 1.807 3.487 14.609 1.00 0.85 H new ATOM 0 HA ASP A 104 -0.476 3.802 16.369 1.00 0.80 H new ATOM 0 HB2 ASP A 104 -0.297 4.841 13.534 1.00 0.92 H new ATOM 0 HB3 ASP A 104 -1.199 5.496 14.886 1.00 0.92 H new ATOM 182 N ASP A 105 -2.278 2.683 14.819 1.00 0.82 N ATOM 183 CA ASP A 105 -3.280 1.791 14.223 1.00 0.70 C ATOM 184 C ASP A 105 -3.584 2.113 12.740 1.00 0.64 C ATOM 185 O ASP A 105 -3.938 1.212 11.986 1.00 0.92 O ATOM 186 CB ASP A 105 -4.482 1.904 15.187 1.00 0.90 C ATOM 187 CG ASP A 105 -5.763 1.129 14.870 1.00 2.45 C ATOM 188 OD1 ASP A 105 -6.368 1.366 13.802 1.00 3.96 O ATOM 189 OD2 ASP A 105 -6.199 0.360 15.756 1.00 3.01 O ATOM 0 H ASP A 105 -2.692 3.353 15.467 1.00 0.82 H new ATOM 0 HA ASP A 105 -2.941 0.758 14.140 1.00 0.70 H new ATOM 0 HB2 ASP A 105 -4.143 1.589 16.174 1.00 0.90 H new ATOM 0 HB3 ASP A 105 -4.746 2.959 15.262 1.00 0.90 H new ATOM 194 N TYR A 106 -3.362 3.351 12.280 1.00 0.65 N ATOM 195 CA TYR A 106 -3.892 3.894 11.007 1.00 0.86 C ATOM 196 C TYR A 106 -2.873 4.673 10.142 1.00 1.00 C ATOM 197 O TYR A 106 -3.239 5.200 9.085 1.00 1.98 O ATOM 198 CB TYR A 106 -5.126 4.769 11.329 1.00 1.11 C ATOM 199 CG TYR A 106 -5.068 5.464 12.677 1.00 1.08 C ATOM 200 CD1 TYR A 106 -4.199 6.552 12.886 1.00 2.31 C ATOM 201 CD2 TYR A 106 -5.779 4.915 13.759 1.00 1.74 C ATOM 202 CE1 TYR A 106 -4.030 7.078 14.180 1.00 2.48 C ATOM 203 CE2 TYR A 106 -5.607 5.427 15.057 1.00 1.86 C ATOM 204 CZ TYR A 106 -4.730 6.515 15.271 1.00 1.56 C ATOM 205 OH TYR A 106 -4.535 6.999 16.526 1.00 1.98 O ATOM 0 H TYR A 106 -2.794 4.027 12.791 1.00 0.65 H new ATOM 0 HA TYR A 106 -4.158 3.037 10.388 1.00 0.86 H new ATOM 0 HB2 TYR A 106 -5.235 5.523 10.550 1.00 1.11 H new ATOM 0 HB3 TYR A 106 -6.018 4.144 11.294 1.00 1.11 H new ATOM 0 HD1 TYR A 106 -3.662 6.983 12.053 1.00 2.31 H new ATOM 0 HD2 TYR A 106 -6.461 4.095 13.592 1.00 1.74 H new ATOM 0 HE1 TYR A 106 -3.364 7.913 14.340 1.00 2.48 H new ATOM 0 HE2 TYR A 106 -6.143 4.991 15.887 1.00 1.86 H new ATOM 0 HH TYR A 106 -5.094 6.501 17.159 1.00 1.98 H new ATOM 215 N ARG A 107 -1.603 4.765 10.564 1.00 0.60 N ATOM 216 CA ARG A 107 -0.526 5.516 9.888 1.00 0.71 C ATOM 217 C ARG A 107 -0.498 5.294 8.369 1.00 0.92 C ATOM 218 O ARG A 107 -0.519 4.165 7.886 1.00 1.72 O ATOM 219 CB ARG A 107 0.806 5.082 10.507 1.00 0.90 C ATOM 220 CG ARG A 107 2.078 5.679 9.881 1.00 1.57 C ATOM 221 CD ARG A 107 2.919 4.604 9.171 1.00 2.70 C ATOM 222 NE ARG A 107 3.701 5.198 8.079 1.00 4.26 N ATOM 223 CZ ARG A 107 4.883 4.811 7.622 1.00 5.60 C ATOM 224 NH1 ARG A 107 5.543 3.785 8.112 1.00 6.00 N ATOM 225 NH2 ARG A 107 5.424 5.482 6.628 1.00 7.17 N ATOM 0 H ARG A 107 -1.283 4.303 11.415 1.00 0.60 H new ATOM 0 HA ARG A 107 -0.706 6.581 10.033 1.00 0.71 H new ATOM 0 HB2 ARG A 107 0.792 5.342 11.565 1.00 0.90 H new ATOM 0 HB3 ARG A 107 0.873 3.996 10.447 1.00 0.90 H new ATOM 0 HG2 ARG A 107 1.803 6.456 9.168 1.00 1.57 H new ATOM 0 HG3 ARG A 107 2.677 6.156 10.657 1.00 1.57 H new ATOM 0 HD2 ARG A 107 3.588 4.126 9.887 1.00 2.70 H new ATOM 0 HD3 ARG A 107 2.266 3.825 8.776 1.00 2.70 H new ATOM 0 HE ARG A 107 3.284 6.006 7.617 1.00 4.26 H new ATOM 0 HH11 ARG A 107 5.147 3.245 8.881 1.00 6.00 H new ATOM 0 HH12 ARG A 107 6.451 3.529 7.723 1.00 6.00 H new ATOM 0 HH21 ARG A 107 4.934 6.281 6.226 1.00 7.17 H new ATOM 0 HH22 ARG A 107 6.333 5.203 6.259 1.00 7.17 H new ATOM 239 N TYR A 108 -0.405 6.384 7.598 1.00 0.56 N ATOM 240 CA TYR A 108 -0.425 6.336 6.129 1.00 0.49 C ATOM 241 C TYR A 108 0.917 5.904 5.495 1.00 0.55 C ATOM 242 O TYR A 108 1.983 6.166 6.055 1.00 0.90 O ATOM 243 CB TYR A 108 -0.925 7.671 5.542 1.00 0.58 C ATOM 244 CG TYR A 108 0.171 8.700 5.390 1.00 0.69 C ATOM 245 CD1 TYR A 108 0.954 8.716 4.217 1.00 1.85 C ATOM 246 CD2 TYR A 108 0.483 9.551 6.467 1.00 2.14 C ATOM 247 CE1 TYR A 108 2.096 9.534 4.159 1.00 1.82 C ATOM 248 CE2 TYR A 108 1.595 10.405 6.386 1.00 2.34 C ATOM 249 CZ TYR A 108 2.413 10.396 5.235 1.00 1.14 C ATOM 250 OH TYR A 108 3.503 11.208 5.173 1.00 1.42 O ATOM 0 H TYR A 108 -0.313 7.327 7.975 1.00 0.56 H new ATOM 0 HA TYR A 108 -1.133 5.550 5.864 1.00 0.49 H new ATOM 0 HB2 TYR A 108 -1.378 7.486 4.568 1.00 0.58 H new ATOM 0 HB3 TYR A 108 -1.707 8.074 6.186 1.00 0.58 H new ATOM 0 HD1 TYR A 108 0.679 8.105 3.370 1.00 1.85 H new ATOM 0 HD2 TYR A 108 -0.132 9.547 7.355 1.00 2.14 H new ATOM 0 HE1 TYR A 108 2.735 9.504 3.289 1.00 1.82 H new ATOM 0 HE2 TYR A 108 1.825 11.070 7.205 1.00 2.34 H new ATOM 0 HH TYR A 108 3.568 11.732 5.999 1.00 1.42 H new ATOM 260 N VAL A 109 0.860 5.299 4.307 1.00 0.46 N ATOM 261 CA VAL A 109 2.024 4.898 3.497 1.00 0.51 C ATOM 262 C VAL A 109 2.286 5.879 2.358 1.00 0.49 C ATOM 263 O VAL A 109 1.333 6.346 1.747 1.00 0.47 O ATOM 264 CB VAL A 109 1.846 3.482 2.909 1.00 0.63 C ATOM 265 CG1 VAL A 109 0.551 3.266 2.133 1.00 0.66 C ATOM 266 CG2 VAL A 109 3.011 3.115 1.990 1.00 0.84 C ATOM 0 H VAL A 109 -0.027 5.064 3.862 1.00 0.46 H new ATOM 0 HA VAL A 109 2.880 4.901 4.171 1.00 0.51 H new ATOM 0 HB VAL A 109 1.812 2.837 3.787 1.00 0.63 H new ATOM 0 HG11 VAL A 109 0.517 2.243 1.759 1.00 0.66 H new ATOM 0 HG12 VAL A 109 -0.301 3.441 2.791 1.00 0.66 H new ATOM 0 HG13 VAL A 109 0.510 3.960 1.294 1.00 0.66 H new ATOM 0 HG21 VAL A 109 2.858 2.112 1.591 1.00 0.84 H new ATOM 0 HG22 VAL A 109 3.065 3.829 1.168 1.00 0.84 H new ATOM 0 HG23 VAL A 109 3.943 3.142 2.555 1.00 0.84 H new ATOM 276 N GLY A 110 3.569 6.093 2.056 1.00 0.55 N ATOM 277 CA GLY A 110 4.069 6.707 0.825 1.00 0.61 C ATOM 278 C GLY A 110 4.624 5.695 -0.190 1.00 0.53 C ATOM 279 O GLY A 110 5.832 5.466 -0.164 1.00 0.76 O ATOM 0 H GLY A 110 4.321 5.831 2.693 1.00 0.55 H new ATOM 0 HA2 GLY A 110 3.262 7.272 0.358 1.00 0.61 H new ATOM 0 HA3 GLY A 110 4.853 7.421 1.078 1.00 0.61 H new ATOM 283 N CYS A 111 3.802 5.153 -1.104 1.00 0.42 N ATOM 284 CA CYS A 111 4.269 4.378 -2.251 1.00 0.46 C ATOM 285 C CYS A 111 4.313 5.218 -3.540 1.00 0.58 C ATOM 286 O CYS A 111 3.441 6.054 -3.831 1.00 0.65 O ATOM 287 CB CYS A 111 3.387 3.136 -2.420 1.00 0.55 C ATOM 288 SG CYS A 111 1.812 3.399 -3.324 1.00 1.54 S ATOM 0 H CYS A 111 2.787 5.245 -1.061 1.00 0.42 H new ATOM 0 HA CYS A 111 5.295 4.063 -2.059 1.00 0.46 H new ATOM 0 HB2 CYS A 111 3.962 2.372 -2.943 1.00 0.55 H new ATOM 0 HB3 CYS A 111 3.156 2.739 -1.431 1.00 0.55 H new ATOM 0 HG CYS A 111 1.869 4.522 -3.977 1.00 1.54 H new ATOM 293 N THR A 112 5.336 4.930 -4.346 1.00 0.69 N ATOM 294 CA THR A 112 5.527 5.501 -5.684 1.00 0.83 C ATOM 295 C THR A 112 5.425 4.441 -6.772 1.00 0.85 C ATOM 296 O THR A 112 6.005 4.598 -7.846 1.00 0.91 O ATOM 297 CB THR A 112 6.847 6.265 -5.790 1.00 0.98 C ATOM 298 OG1 THR A 112 7.899 5.394 -5.451 1.00 1.00 O ATOM 299 CG2 THR A 112 6.830 7.439 -4.824 1.00 0.92 C ATOM 0 H THR A 112 6.074 4.277 -4.082 1.00 0.69 H new ATOM 0 HA THR A 112 4.717 6.213 -5.840 1.00 0.83 H new ATOM 0 HB THR A 112 6.983 6.637 -6.805 1.00 0.98 H new ATOM 0 HG1 THR A 112 8.753 5.871 -5.516 1.00 1.00 H new ATOM 0 HG21 THR A 112 7.771 7.985 -4.898 1.00 0.92 H new ATOM 0 HG22 THR A 112 6.004 8.104 -5.074 1.00 0.92 H new ATOM 0 HG23 THR A 112 6.704 7.071 -3.806 1.00 0.92 H new ATOM 307 N GLY A 113 4.730 3.338 -6.492 1.00 0.86 N ATOM 308 CA GLY A 113 4.632 2.224 -7.424 1.00 0.88 C ATOM 309 C GLY A 113 5.441 1.021 -7.027 1.00 1.06 C ATOM 310 O GLY A 113 6.002 0.896 -5.941 1.00 2.44 O ATOM 0 H GLY A 113 4.224 3.196 -5.618 1.00 0.86 H new ATOM 0 HA2 GLY A 113 3.586 1.931 -7.516 1.00 0.88 H new ATOM 0 HA3 GLY A 113 4.957 2.558 -8.409 1.00 0.88 H new ATOM 314 N SER A 114 5.508 0.153 -8.017 1.00 2.14 N ATOM 315 CA SER A 114 6.604 -0.767 -8.233 1.00 2.68 C ATOM 316 C SER A 114 7.966 -0.118 -7.882 1.00 2.69 C ATOM 317 O SER A 114 8.174 1.057 -8.225 1.00 2.96 O ATOM 318 CB SER A 114 6.559 -1.111 -9.716 1.00 3.29 C ATOM 319 OG SER A 114 6.845 -2.471 -9.952 1.00 3.97 O ATOM 0 H SER A 114 4.772 0.067 -8.718 1.00 2.14 H new ATOM 0 HA SER A 114 6.506 -1.647 -7.598 1.00 2.68 H new ATOM 0 HB2 SER A 114 5.572 -0.874 -10.113 1.00 3.29 H new ATOM 0 HB3 SER A 114 7.276 -0.491 -10.254 1.00 3.29 H new ATOM 0 HG SER A 114 6.804 -2.652 -10.914 1.00 3.97 H new ATOM 325 N PRO A 115 8.887 -0.856 -7.227 1.00 2.60 N ATOM 326 CA PRO A 115 9.966 -0.307 -6.393 1.00 2.41 C ATOM 327 C PRO A 115 10.977 0.610 -7.084 1.00 2.03 C ATOM 328 O PRO A 115 11.754 1.268 -6.399 1.00 2.20 O ATOM 329 CB PRO A 115 10.701 -1.521 -5.803 1.00 2.78 C ATOM 330 CG PRO A 115 10.243 -2.709 -6.642 1.00 3.02 C ATOM 331 CD PRO A 115 8.839 -2.301 -7.067 1.00 2.89 C ATOM 0 HA PRO A 115 9.497 0.346 -5.657 1.00 2.41 H new ATOM 0 HB2 PRO A 115 11.782 -1.393 -5.859 1.00 2.78 H new ATOM 0 HB3 PRO A 115 10.450 -1.661 -4.752 1.00 2.78 H new ATOM 0 HG2 PRO A 115 10.894 -2.873 -7.501 1.00 3.02 H new ATOM 0 HG3 PRO A 115 10.238 -3.634 -6.065 1.00 3.02 H new ATOM 0 HD2 PRO A 115 8.553 -2.790 -7.998 1.00 2.89 H new ATOM 0 HD3 PRO A 115 8.102 -2.589 -6.317 1.00 2.89 H new ATOM 339 N ALA A 116 11.004 0.647 -8.415 1.00 2.04 N ATOM 340 CA ALA A 116 11.928 1.472 -9.191 1.00 1.94 C ATOM 341 C ALA A 116 11.430 2.911 -9.423 1.00 1.67 C ATOM 342 O ALA A 116 12.048 3.660 -10.178 1.00 2.26 O ATOM 343 CB ALA A 116 12.201 0.711 -10.490 1.00 2.52 C ATOM 0 H ALA A 116 10.373 0.094 -8.995 1.00 2.04 H new ATOM 0 HA ALA A 116 12.852 1.624 -8.633 1.00 1.94 H new ATOM 0 HB1 ALA A 116 12.889 1.285 -11.110 1.00 2.52 H new ATOM 0 HB2 ALA A 116 12.644 -0.258 -10.258 1.00 2.52 H new ATOM 0 HB3 ALA A 116 11.265 0.562 -11.028 1.00 2.52 H new ATOM 349 N GLY A 117 10.305 3.283 -8.798 1.00 1.28 N ATOM 350 CA GLY A 117 9.651 4.581 -8.961 1.00 1.18 C ATOM 351 C GLY A 117 8.825 4.594 -10.239 1.00 1.29 C ATOM 352 O GLY A 117 9.288 5.069 -11.273 1.00 1.80 O ATOM 0 H GLY A 117 9.814 2.670 -8.148 1.00 1.28 H new ATOM 0 HA2 GLY A 117 9.011 4.784 -8.103 1.00 1.18 H new ATOM 0 HA3 GLY A 117 10.400 5.372 -8.995 1.00 1.18 H new ATOM 356 N SER A 118 7.608 4.054 -10.183 1.00 1.15 N ATOM 357 CA SER A 118 6.723 4.057 -11.353 1.00 1.51 C ATOM 358 C SER A 118 5.978 5.386 -11.484 1.00 1.61 C ATOM 359 O SER A 118 6.140 6.124 -12.456 1.00 2.12 O ATOM 360 CB SER A 118 5.726 2.875 -11.345 1.00 1.85 C ATOM 361 OG SER A 118 6.035 1.863 -10.409 1.00 2.31 O ATOM 0 H SER A 118 7.214 3.613 -9.352 1.00 1.15 H new ATOM 0 HA SER A 118 7.366 3.932 -12.225 1.00 1.51 H new ATOM 0 HB2 SER A 118 4.728 3.258 -11.133 1.00 1.85 H new ATOM 0 HB3 SER A 118 5.694 2.435 -12.342 1.00 1.85 H new ATOM 0 HG SER A 118 5.279 1.244 -10.334 1.00 2.31 H new ATOM 367 N HIS A 119 5.128 5.673 -10.504 1.00 1.33 N ATOM 368 CA HIS A 119 4.113 6.706 -10.606 1.00 1.40 C ATOM 369 C HIS A 119 4.505 8.017 -9.903 1.00 1.43 C ATOM 370 O HIS A 119 5.683 8.349 -9.766 1.00 1.74 O ATOM 371 CB HIS A 119 2.767 6.093 -10.203 1.00 1.30 C ATOM 372 CG HIS A 119 2.588 5.588 -8.783 1.00 1.00 C ATOM 373 ND1 HIS A 119 2.346 6.381 -7.704 1.00 0.99 N ATOM 374 CD2 HIS A 119 2.401 4.282 -8.424 1.00 0.83 C ATOM 375 CE1 HIS A 119 1.994 5.637 -6.658 1.00 0.85 C ATOM 376 NE2 HIS A 119 1.972 4.355 -7.072 1.00 0.75 N ATOM 0 H HIS A 119 5.128 5.187 -9.607 1.00 1.33 H new ATOM 0 HA HIS A 119 4.014 7.044 -11.637 1.00 1.40 H new ATOM 0 HB2 HIS A 119 1.996 6.841 -10.387 1.00 1.30 H new ATOM 0 HB3 HIS A 119 2.569 5.259 -10.877 1.00 1.30 H new ATOM 0 HD2 HIS A 119 2.546 3.399 -9.029 1.00 0.83 H new ATOM 0 HE1 HIS A 119 1.768 5.994 -5.664 1.00 0.85 H new ATOM 0 HE2 HIS A 119 1.690 3.558 -6.501 1.00 0.75 H new ATOM 384 N THR A 120 3.496 8.787 -9.472 1.00 1.58 N ATOM 385 CA THR A 120 3.654 9.846 -8.471 1.00 1.58 C ATOM 386 C THR A 120 3.924 9.217 -7.108 1.00 1.29 C ATOM 387 O THR A 120 4.361 8.083 -7.018 1.00 1.15 O ATOM 388 CB THR A 120 2.441 10.774 -8.556 1.00 1.77 C ATOM 389 OG1 THR A 120 2.746 11.974 -7.888 1.00 1.91 O ATOM 390 CG2 THR A 120 1.171 10.174 -7.963 1.00 1.64 C ATOM 0 H THR A 120 2.540 8.690 -9.813 1.00 1.58 H new ATOM 0 HA THR A 120 4.522 10.479 -8.657 1.00 1.58 H new ATOM 0 HB THR A 120 2.238 10.943 -9.613 1.00 1.77 H new ATOM 0 HG1 THR A 120 1.977 12.580 -7.936 1.00 1.91 H new ATOM 0 HG21 THR A 120 0.353 10.888 -8.058 1.00 1.64 H new ATOM 0 HG22 THR A 120 0.918 9.258 -8.497 1.00 1.64 H new ATOM 0 HG23 THR A 120 1.333 9.947 -6.909 1.00 1.64 H new ATOM 398 N ILE A 121 3.593 9.903 -6.038 1.00 1.28 N ATOM 399 CA ILE A 121 3.545 9.421 -4.670 1.00 1.07 C ATOM 400 C ILE A 121 2.122 9.485 -4.152 1.00 1.11 C ATOM 401 O ILE A 121 1.377 10.421 -4.435 1.00 1.33 O ATOM 402 CB ILE A 121 4.497 10.256 -3.802 1.00 1.09 C ATOM 403 CG1 ILE A 121 4.475 9.801 -2.339 1.00 0.96 C ATOM 404 CG2 ILE A 121 4.120 11.733 -3.796 1.00 1.34 C ATOM 405 CD1 ILE A 121 5.213 8.510 -2.129 1.00 0.84 C ATOM 0 H ILE A 121 3.330 10.886 -6.103 1.00 1.28 H new ATOM 0 HA ILE A 121 3.869 8.381 -4.630 1.00 1.07 H new ATOM 0 HB ILE A 121 5.484 10.113 -4.242 1.00 1.09 H new ATOM 0 HG12 ILE A 121 4.919 10.576 -1.714 1.00 0.96 H new ATOM 0 HG13 ILE A 121 3.441 9.682 -2.014 1.00 0.96 H new ATOM 0 HG21 ILE A 121 4.821 12.285 -3.169 1.00 1.34 H new ATOM 0 HG22 ILE A 121 4.159 12.123 -4.813 1.00 1.34 H new ATOM 0 HG23 ILE A 121 3.111 11.849 -3.401 1.00 1.34 H new ATOM 0 HD11 ILE A 121 5.167 8.232 -1.076 1.00 0.84 H new ATOM 0 HD12 ILE A 121 4.754 7.726 -2.732 1.00 0.84 H new ATOM 0 HD13 ILE A 121 6.254 8.634 -2.427 1.00 0.84 H new ATOM 417 N MET A 122 1.762 8.459 -3.393 1.00 0.93 N ATOM 418 CA MET A 122 0.436 8.275 -2.852 1.00 0.97 C ATOM 419 C MET A 122 0.403 8.071 -1.350 1.00 0.94 C ATOM 420 O MET A 122 1.392 7.676 -0.756 1.00 1.01 O ATOM 421 CB MET A 122 -0.069 7.060 -3.594 1.00 1.12 C ATOM 422 CG MET A 122 -0.322 7.494 -5.020 1.00 1.14 C ATOM 423 SD MET A 122 -1.535 8.803 -5.359 1.00 3.26 S ATOM 424 CE MET A 122 -2.692 8.725 -3.957 1.00 4.10 C ATOM 0 H MET A 122 2.408 7.714 -3.133 1.00 0.93 H new ATOM 0 HA MET A 122 -0.180 9.164 -2.989 1.00 0.97 H new ATOM 0 HB2 MET A 122 0.664 6.254 -3.559 1.00 1.12 H new ATOM 0 HB3 MET A 122 -0.983 6.680 -3.137 1.00 1.12 H new ATOM 0 HG2 MET A 122 0.632 7.818 -5.436 1.00 1.14 H new ATOM 0 HG3 MET A 122 -0.630 6.611 -5.580 1.00 1.14 H new ATOM 0 HE1 MET A 122 -3.642 9.177 -4.243 1.00 4.10 H new ATOM 0 HE2 MET A 122 -2.855 7.684 -3.677 1.00 4.10 H new ATOM 0 HE3 MET A 122 -2.273 9.267 -3.109 1.00 4.10 H new ATOM 434 N TRP A 123 -0.760 8.317 -0.740 1.00 0.94 N ATOM 435 CA TRP A 123 -0.889 8.433 0.728 1.00 0.93 C ATOM 436 C TRP A 123 -1.945 7.477 1.318 1.00 1.08 C ATOM 437 O TRP A 123 -2.997 7.908 1.816 1.00 1.85 O ATOM 438 CB TRP A 123 -1.115 9.892 1.158 1.00 0.93 C ATOM 439 CG TRP A 123 -0.347 10.970 0.454 1.00 1.02 C ATOM 440 CD1 TRP A 123 -0.892 12.040 -0.172 1.00 1.36 C ATOM 441 CD2 TRP A 123 1.101 11.161 0.371 1.00 1.06 C ATOM 442 NE1 TRP A 123 0.110 12.878 -0.620 1.00 1.46 N ATOM 443 CE2 TRP A 123 1.357 12.412 -0.265 1.00 1.23 C ATOM 444 CE3 TRP A 123 2.223 10.419 0.795 1.00 1.31 C ATOM 445 CZ2 TRP A 123 2.653 12.931 -0.410 1.00 1.34 C ATOM 446 CZ3 TRP A 123 3.527 10.936 0.674 1.00 1.57 C ATOM 447 CH2 TRP A 123 3.743 12.195 0.084 1.00 1.48 C ATOM 0 H TRP A 123 -1.639 8.442 -1.241 1.00 0.94 H new ATOM 0 HA TRP A 123 0.063 8.113 1.151 1.00 0.93 H new ATOM 0 HB2 TRP A 123 -2.176 10.111 1.043 1.00 0.93 H new ATOM 0 HB3 TRP A 123 -0.888 9.963 2.222 1.00 0.93 H new ATOM 0 HD1 TRP A 123 -1.950 12.212 -0.301 1.00 1.36 H new ATOM 0 HE1 TRP A 123 -0.053 13.735 -1.148 1.00 1.46 H new ATOM 0 HE3 TRP A 123 2.079 9.437 1.220 1.00 1.31 H new ATOM 0 HZ2 TRP A 123 2.810 13.883 -0.895 1.00 1.34 H new ATOM 0 HZ3 TRP A 123 4.367 10.362 1.037 1.00 1.57 H new ATOM 0 HH2 TRP A 123 4.744 12.594 0.011 1.00 1.48 H new ATOM 458 N LEU A 124 -1.690 6.164 1.262 1.00 0.53 N ATOM 459 CA LEU A 124 -2.721 5.140 1.502 1.00 0.59 C ATOM 460 C LEU A 124 -2.796 4.828 3.002 1.00 0.67 C ATOM 461 O LEU A 124 -1.849 5.124 3.724 1.00 0.64 O ATOM 462 CB LEU A 124 -2.467 3.883 0.639 1.00 0.57 C ATOM 463 CG LEU A 124 -1.816 4.133 -0.744 1.00 0.51 C ATOM 464 CD1 LEU A 124 -1.397 2.811 -1.376 1.00 0.63 C ATOM 465 CD2 LEU A 124 -2.750 4.903 -1.688 1.00 0.58 C ATOM 0 H LEU A 124 -0.769 5.780 1.050 1.00 0.53 H new ATOM 0 HA LEU A 124 -3.694 5.524 1.196 1.00 0.59 H new ATOM 0 HB2 LEU A 124 -1.828 3.202 1.202 1.00 0.57 H new ATOM 0 HB3 LEU A 124 -3.418 3.374 0.485 1.00 0.57 H new ATOM 0 HG LEU A 124 -0.932 4.751 -0.584 1.00 0.51 H new ATOM 0 HD11 LEU A 124 -0.941 3.001 -2.348 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -0.677 2.310 -0.729 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -2.273 2.175 -1.504 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -2.253 5.056 -2.646 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -3.665 4.331 -1.841 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -2.996 5.869 -1.248 1.00 0.58 H new ATOM 477 N LYS A 125 -3.906 4.293 3.512 1.00 0.77 N ATOM 478 CA LYS A 125 -4.173 4.222 4.966 1.00 0.70 C ATOM 479 C LYS A 125 -4.529 2.781 5.406 1.00 0.73 C ATOM 480 O LYS A 125 -5.702 2.460 5.536 1.00 0.96 O ATOM 481 CB LYS A 125 -5.233 5.286 5.323 1.00 0.87 C ATOM 482 CG LYS A 125 -4.657 6.703 5.125 1.00 2.08 C ATOM 483 CD LYS A 125 -5.682 7.818 5.359 1.00 3.04 C ATOM 484 CE LYS A 125 -5.048 9.207 5.154 1.00 5.03 C ATOM 485 NZ LYS A 125 -4.633 9.465 3.747 1.00 6.75 N ATOM 0 H LYS A 125 -4.649 3.895 2.938 1.00 0.77 H new ATOM 0 HA LYS A 125 -3.274 4.458 5.536 1.00 0.70 H new ATOM 0 HB2 LYS A 125 -6.116 5.154 4.697 1.00 0.87 H new ATOM 0 HB3 LYS A 125 -5.553 5.157 6.357 1.00 0.87 H new ATOM 0 HG2 LYS A 125 -3.817 6.844 5.806 1.00 2.08 H new ATOM 0 HG3 LYS A 125 -4.264 6.788 4.112 1.00 2.08 H new ATOM 0 HD2 LYS A 125 -6.522 7.694 4.675 1.00 3.04 H new ATOM 0 HD3 LYS A 125 -6.081 7.743 6.371 1.00 3.04 H new ATOM 0 HE2 LYS A 125 -5.761 9.973 5.461 1.00 5.03 H new ATOM 0 HE3 LYS A 125 -4.179 9.301 5.805 1.00 5.03 H new ATOM 0 HZ1 LYS A 125 -4.262 10.433 3.667 1.00 6.75 H new ATOM 0 HZ2 LYS A 125 -3.894 8.787 3.473 1.00 6.75 H new ATOM 0 HZ3 LYS A 125 -5.454 9.356 3.117 1.00 6.75 H new ATOM 499 N PRO A 126 -3.524 1.891 5.541 1.00 0.64 N ATOM 500 CA PRO A 126 -3.687 0.435 5.465 1.00 0.97 C ATOM 501 C PRO A 126 -4.005 -0.287 6.789 1.00 1.58 C ATOM 502 O PRO A 126 -3.560 -1.415 6.950 1.00 3.36 O ATOM 503 CB PRO A 126 -2.375 -0.033 4.814 1.00 1.14 C ATOM 504 CG PRO A 126 -1.367 0.905 5.458 1.00 0.81 C ATOM 505 CD PRO A 126 -2.111 2.224 5.397 1.00 0.59 C ATOM 0 HA PRO A 126 -4.578 0.177 4.892 1.00 0.97 H new ATOM 0 HB2 PRO A 126 -2.159 -1.079 5.031 1.00 1.14 H new ATOM 0 HB3 PRO A 126 -2.396 0.069 3.729 1.00 1.14 H new ATOM 0 HG2 PRO A 126 -1.129 0.614 6.481 1.00 0.81 H new ATOM 0 HG3 PRO A 126 -0.426 0.938 4.909 1.00 0.81 H new ATOM 0 HD2 PRO A 126 -1.784 2.894 6.192 1.00 0.59 H new ATOM 0 HD3 PRO A 126 -1.924 2.735 4.453 1.00 0.59 H new ATOM 513 N THR A 127 -4.762 0.362 7.689 1.00 0.61 N ATOM 514 CA THR A 127 -5.062 0.127 9.124 1.00 0.64 C ATOM 515 C THR A 127 -4.722 -1.247 9.701 1.00 0.57 C ATOM 516 O THR A 127 -4.964 -2.275 9.081 1.00 0.51 O ATOM 517 CB THR A 127 -6.557 0.394 9.398 1.00 0.70 C ATOM 518 OG1 THR A 127 -7.093 1.305 8.459 1.00 0.97 O ATOM 519 CG2 THR A 127 -6.863 0.939 10.782 1.00 0.79 C ATOM 0 H THR A 127 -5.259 1.198 7.381 1.00 0.61 H new ATOM 0 HA THR A 127 -4.394 0.824 9.629 1.00 0.64 H new ATOM 0 HB THR A 127 -7.017 -0.591 9.315 1.00 0.70 H new ATOM 0 HG1 THR A 127 -8.072 1.263 8.484 1.00 0.97 H new ATOM 0 HG21 THR A 127 -7.937 1.095 10.882 1.00 0.79 H new ATOM 0 HG22 THR A 127 -6.528 0.227 11.536 1.00 0.79 H new ATOM 0 HG23 THR A 127 -6.344 1.887 10.923 1.00 0.79 H new ATOM 527 N VAL A 128 -4.282 -1.303 10.959 1.00 0.66 N ATOM 528 CA VAL A 128 -4.035 -2.584 11.657 1.00 0.56 C ATOM 529 C VAL A 128 -5.294 -3.476 11.663 1.00 0.50 C ATOM 530 O VAL A 128 -5.202 -4.698 11.553 1.00 0.62 O ATOM 531 CB VAL A 128 -3.516 -2.384 13.094 1.00 0.81 C ATOM 532 CG1 VAL A 128 -4.601 -1.733 13.951 1.00 0.94 C ATOM 533 CG2 VAL A 128 -2.952 -3.688 13.706 1.00 0.90 C ATOM 0 H VAL A 128 -4.086 -0.477 11.525 1.00 0.66 H new ATOM 0 HA VAL A 128 -3.251 -3.090 11.093 1.00 0.56 H new ATOM 0 HB VAL A 128 -2.666 -1.703 13.064 1.00 0.81 H new ATOM 0 HG11 VAL A 128 -4.228 -1.594 14.966 1.00 0.94 H new ATOM 0 HG12 VAL A 128 -4.868 -0.765 13.527 1.00 0.94 H new ATOM 0 HG13 VAL A 128 -5.482 -2.375 13.972 1.00 0.94 H new ATOM 0 HG21 VAL A 128 -2.600 -3.492 14.719 1.00 0.90 H new ATOM 0 HG22 VAL A 128 -3.736 -4.445 13.734 1.00 0.90 H new ATOM 0 HG23 VAL A 128 -2.123 -4.047 13.097 1.00 0.90 H new ATOM 543 N ASN A 129 -6.472 -2.845 11.716 1.00 0.69 N ATOM 544 CA ASN A 129 -7.797 -3.462 11.620 1.00 1.00 C ATOM 545 C ASN A 129 -8.229 -3.822 10.190 1.00 0.97 C ATOM 546 O ASN A 129 -9.222 -4.526 10.021 1.00 1.27 O ATOM 547 CB ASN A 129 -8.801 -2.521 12.308 1.00 1.39 C ATOM 548 CG ASN A 129 -8.454 -2.352 13.783 1.00 1.74 C ATOM 549 OD1 ASN A 129 -8.528 -3.299 14.555 1.00 1.93 O ATOM 550 ND2 ASN A 129 -8.020 -1.172 14.190 1.00 2.08 N ATOM 0 H ASN A 129 -6.528 -1.833 11.834 1.00 0.69 H new ATOM 0 HA ASN A 129 -7.762 -4.427 12.125 1.00 1.00 H new ATOM 0 HB2 ASN A 129 -8.795 -1.550 11.814 1.00 1.39 H new ATOM 0 HB3 ASN A 129 -9.810 -2.922 12.210 1.00 1.39 H new ATOM 0 HD21 ASN A 129 -7.740 -1.039 15.162 1.00 2.08 H new ATOM 0 HD22 ASN A 129 -7.965 -0.394 13.532 1.00 2.08 H new ATOM 557 N GLU A 130 -7.510 -3.357 9.165 1.00 0.69 N ATOM 558 CA GLU A 130 -7.969 -3.331 7.781 1.00 0.62 C ATOM 559 C GLU A 130 -6.823 -3.633 6.809 1.00 0.56 C ATOM 560 O GLU A 130 -5.997 -4.501 7.060 1.00 0.95 O ATOM 561 CB GLU A 130 -8.616 -1.961 7.487 1.00 0.71 C ATOM 562 CG GLU A 130 -9.633 -1.559 8.539 1.00 0.77 C ATOM 563 CD GLU A 130 -10.312 -0.268 8.109 1.00 1.22 C ATOM 564 OE1 GLU A 130 -9.695 0.793 8.369 1.00 1.98 O ATOM 565 OE2 GLU A 130 -11.390 -0.358 7.489 1.00 1.97 O ATOM 0 H GLU A 130 -6.570 -2.980 9.282 1.00 0.69 H new ATOM 0 HA GLU A 130 -8.716 -4.112 7.637 1.00 0.62 H new ATOM 0 HB2 GLU A 130 -7.837 -1.200 7.430 1.00 0.71 H new ATOM 0 HB3 GLU A 130 -9.101 -1.994 6.512 1.00 0.71 H new ATOM 0 HG2 GLU A 130 -10.374 -2.349 8.667 1.00 0.77 H new ATOM 0 HG3 GLU A 130 -9.143 -1.423 9.503 1.00 0.77 H new ATOM 572 N VAL A 131 -6.829 -2.923 5.685 1.00 0.52 N ATOM 573 CA VAL A 131 -6.006 -2.920 4.489 1.00 0.51 C ATOM 574 C VAL A 131 -6.262 -1.574 3.785 1.00 0.63 C ATOM 575 O VAL A 131 -7.251 -0.909 4.099 1.00 0.83 O ATOM 576 CB VAL A 131 -6.378 -4.068 3.541 1.00 0.48 C ATOM 577 CG1 VAL A 131 -6.132 -5.433 4.140 1.00 0.52 C ATOM 578 CG2 VAL A 131 -7.812 -4.003 3.001 1.00 0.56 C ATOM 0 H VAL A 131 -7.548 -2.207 5.584 1.00 0.52 H new ATOM 0 HA VAL A 131 -4.958 -3.053 4.759 1.00 0.51 H new ATOM 0 HB VAL A 131 -5.703 -3.924 2.697 1.00 0.48 H new ATOM 0 HG11 VAL A 131 -6.415 -6.202 3.421 1.00 0.52 H new ATOM 0 HG12 VAL A 131 -5.075 -5.537 4.386 1.00 0.52 H new ATOM 0 HG13 VAL A 131 -6.728 -5.546 5.045 1.00 0.52 H new ATOM 0 HG21 VAL A 131 -7.991 -4.851 2.340 1.00 0.56 H new ATOM 0 HG22 VAL A 131 -8.516 -4.037 3.833 1.00 0.56 H new ATOM 0 HG23 VAL A 131 -7.950 -3.075 2.446 1.00 0.56 H new ATOM 588 N ALA A 132 -5.457 -1.193 2.789 1.00 0.52 N ATOM 589 CA ALA A 132 -5.806 -0.124 1.840 1.00 0.55 C ATOM 590 C ALA A 132 -5.190 -0.368 0.461 1.00 0.54 C ATOM 591 O ALA A 132 -4.062 -0.836 0.371 1.00 0.52 O ATOM 592 CB ALA A 132 -5.388 1.242 2.390 1.00 0.66 C ATOM 0 H ALA A 132 -4.545 -1.615 2.615 1.00 0.52 H new ATOM 0 HA ALA A 132 -6.889 -0.132 1.718 1.00 0.55 H new ATOM 0 HB1 ALA A 132 -5.654 2.020 1.674 1.00 0.66 H new ATOM 0 HB2 ALA A 132 -5.901 1.427 3.334 1.00 0.66 H new ATOM 0 HB3 ALA A 132 -4.311 1.254 2.554 1.00 0.66 H new ATOM 598 N ARG A 133 -5.921 -0.030 -0.609 1.00 0.61 N ATOM 599 CA ARG A 133 -5.438 -0.150 -1.988 1.00 0.61 C ATOM 600 C ARG A 133 -4.984 1.192 -2.540 1.00 0.62 C ATOM 601 O ARG A 133 -5.644 2.204 -2.294 1.00 0.71 O ATOM 602 CB ARG A 133 -6.531 -0.755 -2.878 1.00 0.70 C ATOM 603 CG ARG A 133 -5.928 -1.475 -4.097 1.00 0.75 C ATOM 604 CD ARG A 133 -7.001 -2.054 -5.019 1.00 1.20 C ATOM 605 NE ARG A 133 -7.875 -3.008 -4.304 1.00 2.70 N ATOM 606 CZ ARG A 133 -9.145 -3.274 -4.584 1.00 3.81 C ATOM 607 NH1 ARG A 133 -9.734 -2.758 -5.644 1.00 4.04 N ATOM 608 NH2 ARG A 133 -9.853 -4.058 -3.799 1.00 5.41 N ATOM 0 H ARG A 133 -6.870 0.337 -0.540 1.00 0.61 H new ATOM 0 HA ARG A 133 -4.573 -0.813 -1.985 1.00 0.61 H new ATOM 0 HB2 ARG A 133 -7.128 -1.458 -2.297 1.00 0.70 H new ATOM 0 HB3 ARG A 133 -7.205 0.032 -3.215 1.00 0.70 H new ATOM 0 HG2 ARG A 133 -5.308 -0.776 -4.659 1.00 0.75 H new ATOM 0 HG3 ARG A 133 -5.274 -2.277 -3.755 1.00 0.75 H new ATOM 0 HD2 ARG A 133 -7.604 -1.244 -5.430 1.00 1.20 H new ATOM 0 HD3 ARG A 133 -6.525 -2.556 -5.861 1.00 1.20 H new ATOM 0 HE ARG A 133 -7.462 -3.511 -3.519 1.00 2.70 H new ATOM 0 HH11 ARG A 133 -9.213 -2.141 -6.267 1.00 4.04 H new ATOM 0 HH12 ARG A 133 -10.711 -2.975 -5.841 1.00 4.04 H new ATOM 0 HH21 ARG A 133 -9.426 -4.467 -2.968 1.00 5.41 H new ATOM 0 HH22 ARG A 133 -10.828 -4.257 -4.022 1.00 5.41 H new ATOM 622 N CYS A 134 -3.917 1.162 -3.327 1.00 0.59 N ATOM 623 CA CYS A 134 -3.562 2.215 -4.243 1.00 0.63 C ATOM 624 C CYS A 134 -4.635 2.387 -5.335 1.00 0.79 C ATOM 625 O CYS A 134 -5.373 1.460 -5.692 1.00 1.17 O ATOM 626 CB CYS A 134 -2.178 1.825 -4.763 1.00 0.62 C ATOM 627 SG CYS A 134 -1.247 3.101 -5.670 1.00 0.76 S ATOM 0 H CYS A 134 -3.263 0.380 -3.339 1.00 0.59 H new ATOM 0 HA CYS A 134 -3.519 3.200 -3.778 1.00 0.63 H new ATOM 0 HB2 CYS A 134 -1.575 1.505 -3.914 1.00 0.62 H new ATOM 0 HB3 CYS A 134 -2.293 0.960 -5.417 1.00 0.62 H new ATOM 0 HG CYS A 134 -0.080 2.633 -6.002 1.00 0.76 H new ATOM 632 N TRP A 135 -4.691 3.600 -5.876 1.00 0.85 N ATOM 633 CA TRP A 135 -5.372 3.877 -7.135 1.00 0.90 C ATOM 634 C TRP A 135 -4.377 3.979 -8.302 1.00 0.92 C ATOM 635 O TRP A 135 -4.797 3.853 -9.449 1.00 0.97 O ATOM 636 CB TRP A 135 -6.186 5.164 -6.981 1.00 0.97 C ATOM 637 CG TRP A 135 -5.411 6.435 -7.132 1.00 0.95 C ATOM 638 CD1 TRP A 135 -4.678 7.048 -6.175 1.00 0.85 C ATOM 639 CD2 TRP A 135 -5.109 7.152 -8.371 1.00 1.12 C ATOM 640 NE1 TRP A 135 -4.129 8.195 -6.707 1.00 1.01 N ATOM 641 CE2 TRP A 135 -4.303 8.281 -8.063 1.00 1.15 C ATOM 642 CE3 TRP A 135 -5.314 6.882 -9.739 1.00 1.29 C ATOM 643 CZ2 TRP A 135 -3.765 9.132 -9.042 1.00 1.35 C ATOM 644 CZ3 TRP A 135 -4.684 7.651 -10.731 1.00 1.45 C ATOM 645 CH2 TRP A 135 -3.943 8.798 -10.394 1.00 1.48 C ATOM 0 H TRP A 135 -4.263 4.422 -5.451 1.00 0.85 H new ATOM 0 HA TRP A 135 -6.043 3.051 -7.371 1.00 0.90 H new ATOM 0 HB2 TRP A 135 -6.988 5.157 -7.719 1.00 0.97 H new ATOM 0 HB3 TRP A 135 -6.658 5.160 -5.998 1.00 0.97 H new ATOM 0 HD1 TRP A 135 -4.545 6.697 -5.162 1.00 0.85 H new ATOM 0 HE1 TRP A 135 -3.646 8.902 -6.152 1.00 1.01 H new ATOM 0 HE3 TRP A 135 -5.966 6.071 -10.029 1.00 1.29 H new ATOM 0 HZ2 TRP A 135 -3.226 10.024 -8.761 1.00 1.35 H new ATOM 0 HZ3 TRP A 135 -4.770 7.358 -11.767 1.00 1.45 H new ATOM 0 HH2 TRP A 135 -3.515 9.417 -11.169 1.00 1.48 H new ATOM 656 N GLU A 136 -3.093 4.219 -8.004 1.00 0.95 N ATOM 657 CA GLU A 136 -2.034 4.358 -8.998 1.00 0.95 C ATOM 658 C GLU A 136 -1.588 2.934 -9.407 1.00 1.01 C ATOM 659 O GLU A 136 -2.155 2.346 -10.327 1.00 1.20 O ATOM 660 CB GLU A 136 -0.891 5.239 -8.473 1.00 0.88 C ATOM 661 CG GLU A 136 -1.066 6.740 -8.744 1.00 0.90 C ATOM 662 CD GLU A 136 -0.453 7.186 -10.075 1.00 1.10 C ATOM 663 OE1 GLU A 136 -0.449 6.426 -11.065 1.00 1.43 O ATOM 664 OE2 GLU A 136 0.171 8.274 -10.136 1.00 1.79 O ATOM 0 H GLU A 136 -2.761 4.323 -7.045 1.00 0.95 H new ATOM 0 HA GLU A 136 -2.393 4.876 -9.887 1.00 0.95 H new ATOM 0 HB2 GLU A 136 -0.796 5.086 -7.398 1.00 0.88 H new ATOM 0 HB3 GLU A 136 0.043 4.908 -8.926 1.00 0.88 H new ATOM 0 HG2 GLU A 136 -2.129 6.982 -8.741 1.00 0.90 H new ATOM 0 HG3 GLU A 136 -0.608 7.305 -7.932 1.00 0.90 H new ATOM 671 N CYS A 137 -0.629 2.325 -8.689 1.00 0.95 N ATOM 672 CA CYS A 137 -0.126 0.994 -9.004 1.00 0.93 C ATOM 673 C CYS A 137 -1.113 -0.164 -8.688 1.00 0.91 C ATOM 674 O CYS A 137 -0.901 -1.297 -9.129 1.00 1.15 O ATOM 675 CB CYS A 137 1.258 0.793 -8.378 1.00 0.84 C ATOM 676 SG CYS A 137 1.407 0.924 -6.570 1.00 0.72 S ATOM 0 H CYS A 137 -0.186 2.750 -7.874 1.00 0.95 H new ATOM 0 HA CYS A 137 -0.025 0.946 -10.088 1.00 0.93 H new ATOM 0 HB2 CYS A 137 1.617 -0.193 -8.672 1.00 0.84 H new ATOM 0 HB3 CYS A 137 1.934 1.523 -8.822 1.00 0.84 H new ATOM 0 HG CYS A 137 0.888 -0.130 -6.014 1.00 0.72 H new ATOM 681 N GLY A 138 -2.191 0.116 -7.947 1.00 0.84 N ATOM 682 CA GLY A 138 -3.333 -0.788 -7.749 1.00 0.89 C ATOM 683 C GLY A 138 -3.077 -1.937 -6.769 1.00 1.03 C ATOM 684 O GLY A 138 -3.916 -2.827 -6.624 1.00 1.24 O ATOM 0 H GLY A 138 -2.297 1.003 -7.454 1.00 0.84 H new ATOM 0 HA2 GLY A 138 -4.182 -0.206 -7.391 1.00 0.89 H new ATOM 0 HA3 GLY A 138 -3.618 -1.208 -8.714 1.00 0.89 H new ATOM 688 N SER A 139 -1.929 -1.946 -6.098 1.00 0.95 N ATOM 689 CA SER A 139 -1.566 -2.871 -5.031 1.00 0.88 C ATOM 690 C SER A 139 -2.409 -2.595 -3.784 1.00 0.76 C ATOM 691 O SER A 139 -2.601 -1.443 -3.402 1.00 0.77 O ATOM 692 CB SER A 139 -0.063 -2.717 -4.698 1.00 0.94 C ATOM 693 OG SER A 139 0.310 -1.366 -4.781 1.00 1.76 O ATOM 0 H SER A 139 -1.189 -1.273 -6.295 1.00 0.95 H new ATOM 0 HA SER A 139 -1.758 -3.891 -5.364 1.00 0.88 H new ATOM 0 HB2 SER A 139 0.137 -3.097 -3.696 1.00 0.94 H new ATOM 0 HB3 SER A 139 0.534 -3.311 -5.390 1.00 0.94 H new ATOM 0 HG SER A 139 0.805 -1.113 -3.974 1.00 1.76 H new ATOM 699 N VAL A 140 -2.899 -3.642 -3.116 1.00 0.76 N ATOM 700 CA VAL A 140 -3.308 -3.512 -1.713 1.00 0.59 C ATOM 701 C VAL A 140 -2.064 -3.581 -0.827 1.00 0.48 C ATOM 702 O VAL A 140 -1.100 -4.274 -1.149 1.00 0.55 O ATOM 703 CB VAL A 140 -4.366 -4.559 -1.303 1.00 0.65 C ATOM 704 CG1 VAL A 140 -4.836 -4.420 0.151 1.00 0.57 C ATOM 705 CG2 VAL A 140 -5.625 -4.481 -2.187 1.00 0.87 C ATOM 0 H VAL A 140 -3.021 -4.573 -3.513 1.00 0.76 H new ATOM 0 HA VAL A 140 -3.793 -2.545 -1.581 1.00 0.59 H new ATOM 0 HB VAL A 140 -3.855 -5.514 -1.429 1.00 0.65 H new ATOM 0 HG11 VAL A 140 -5.578 -5.188 0.368 1.00 0.57 H new ATOM 0 HG12 VAL A 140 -3.985 -4.538 0.821 1.00 0.57 H new ATOM 0 HG13 VAL A 140 -5.279 -3.435 0.297 1.00 0.57 H new ATOM 0 HG21 VAL A 140 -6.343 -5.235 -1.864 1.00 0.87 H new ATOM 0 HG22 VAL A 140 -6.072 -3.491 -2.097 1.00 0.87 H new ATOM 0 HG23 VAL A 140 -5.351 -4.662 -3.226 1.00 0.87 H new ATOM 715 N TYR A 141 -2.135 -2.877 0.297 1.00 0.40 N ATOM 716 CA TYR A 141 -1.173 -2.780 1.389 1.00 0.36 C ATOM 717 C TYR A 141 -1.871 -3.051 2.714 1.00 0.35 C ATOM 718 O TYR A 141 -3.066 -2.785 2.851 1.00 0.40 O ATOM 719 CB TYR A 141 -0.613 -1.354 1.451 1.00 0.33 C ATOM 720 CG TYR A 141 0.224 -0.959 0.267 1.00 0.39 C ATOM 721 CD1 TYR A 141 -0.375 -0.560 -0.942 1.00 1.77 C ATOM 722 CD2 TYR A 141 1.621 -1.010 0.382 1.00 1.50 C ATOM 723 CE1 TYR A 141 0.432 -0.252 -2.041 1.00 1.85 C ATOM 724 CE2 TYR A 141 2.432 -0.700 -0.718 1.00 1.47 C ATOM 725 CZ TYR A 141 1.838 -0.342 -1.954 1.00 0.57 C ATOM 726 OH TYR A 141 2.593 -0.125 -3.065 1.00 0.73 O ATOM 0 H TYR A 141 -2.954 -2.299 0.485 1.00 0.40 H new ATOM 0 HA TYR A 141 -0.377 -3.505 1.217 1.00 0.36 H new ATOM 0 HB2 TYR A 141 -1.444 -0.655 1.541 1.00 0.33 H new ATOM 0 HB3 TYR A 141 -0.012 -1.253 2.355 1.00 0.33 H new ATOM 0 HD1 TYR A 141 -1.450 -0.492 -1.020 1.00 1.77 H new ATOM 0 HD2 TYR A 141 2.073 -1.289 1.322 1.00 1.50 H new ATOM 0 HE1 TYR A 141 -0.026 0.059 -2.968 1.00 1.85 H new ATOM 0 HE2 TYR A 141 3.507 -0.734 -0.624 1.00 1.47 H new ATOM 0 HH TYR A 141 2.463 0.796 -3.374 1.00 0.73 H new ATOM 736 N LYS A 142 -1.126 -3.515 3.717 1.00 0.34 N ATOM 737 CA LYS A 142 -1.668 -3.772 5.041 1.00 0.29 C ATOM 738 C LYS A 142 -0.740 -3.295 6.156 1.00 0.35 C ATOM 739 O LYS A 142 0.471 -3.136 5.979 1.00 0.41 O ATOM 740 CB LYS A 142 -1.992 -5.265 5.169 1.00 0.52 C ATOM 741 CG LYS A 142 -3.090 -5.480 6.207 1.00 0.47 C ATOM 742 CD LYS A 142 -2.644 -6.148 7.494 1.00 0.98 C ATOM 743 CE LYS A 142 -3.771 -5.740 8.441 1.00 1.31 C ATOM 744 NZ LYS A 142 -3.552 -6.185 9.826 1.00 2.55 N ATOM 0 H LYS A 142 -0.131 -3.722 3.630 1.00 0.34 H new ATOM 0 HA LYS A 142 -2.585 -3.194 5.157 1.00 0.29 H new ATOM 0 HB2 LYS A 142 -2.312 -5.659 4.204 1.00 0.52 H new ATOM 0 HB3 LYS A 142 -1.096 -5.815 5.457 1.00 0.52 H new ATOM 0 HG2 LYS A 142 -3.530 -4.513 6.452 1.00 0.47 H new ATOM 0 HG3 LYS A 142 -3.878 -6.084 5.758 1.00 0.47 H new ATOM 0 HD2 LYS A 142 -2.564 -7.230 7.391 1.00 0.98 H new ATOM 0 HD3 LYS A 142 -1.672 -5.787 7.830 1.00 0.98 H new ATOM 0 HE2 LYS A 142 -3.874 -4.655 8.427 1.00 1.31 H new ATOM 0 HE3 LYS A 142 -4.711 -6.155 8.077 1.00 1.31 H new ATOM 0 HZ1 LYS A 142 -4.276 -5.766 10.444 1.00 2.55 H new ATOM 0 HZ2 LYS A 142 -3.616 -7.222 9.872 1.00 2.55 H new ATOM 0 HZ3 LYS A 142 -2.609 -5.882 10.143 1.00 2.55 H new ATOM 758 N LEU A 143 -1.340 -3.063 7.322 1.00 0.43 N ATOM 759 CA LEU A 143 -0.624 -2.565 8.493 1.00 0.40 C ATOM 760 C LEU A 143 -0.532 -3.604 9.592 1.00 0.39 C ATOM 761 O LEU A 143 -1.419 -4.428 9.815 1.00 0.58 O ATOM 762 CB LEU A 143 -1.288 -1.283 8.982 1.00 0.46 C ATOM 763 CG LEU A 143 -0.506 -0.443 10.008 1.00 0.59 C ATOM 764 CD1 LEU A 143 -0.973 0.992 9.830 1.00 0.45 C ATOM 765 CD2 LEU A 143 -0.781 -0.810 11.468 1.00 0.91 C ATOM 0 H LEU A 143 -2.336 -3.215 7.481 1.00 0.43 H new ATOM 0 HA LEU A 143 0.403 -2.344 8.203 1.00 0.40 H new ATOM 0 HB2 LEU A 143 -1.493 -0.655 8.115 1.00 0.46 H new ATOM 0 HB3 LEU A 143 -2.251 -1.545 9.421 1.00 0.46 H new ATOM 0 HG LEU A 143 0.555 -0.612 9.826 1.00 0.59 H new ATOM 0 HD11 LEU A 143 -0.448 1.636 10.536 1.00 0.45 H new ATOM 0 HD12 LEU A 143 -0.760 1.320 8.813 1.00 0.45 H new ATOM 0 HD13 LEU A 143 -2.046 1.051 10.013 1.00 0.45 H new ATOM 0 HD21 LEU A 143 -0.189 -0.169 12.122 1.00 0.91 H new ATOM 0 HD22 LEU A 143 -1.840 -0.670 11.685 1.00 0.91 H new ATOM 0 HD23 LEU A 143 -0.510 -1.852 11.639 1.00 0.91 H new ATOM 777 N ASN A 144 0.577 -3.543 10.297 1.00 0.43 N ATOM 778 CA ASN A 144 0.962 -4.560 11.272 1.00 0.53 C ATOM 779 C ASN A 144 0.652 -4.163 12.737 1.00 0.64 C ATOM 780 O ASN A 144 0.636 -2.991 13.076 1.00 0.71 O ATOM 781 CB ASN A 144 2.442 -4.930 11.040 1.00 0.58 C ATOM 782 CG ASN A 144 3.359 -3.746 10.780 1.00 0.83 C ATOM 783 OD1 ASN A 144 3.066 -2.612 11.115 1.00 1.34 O ATOM 784 ND2 ASN A 144 4.494 -4.005 10.168 1.00 0.91 N ATOM 0 H ASN A 144 1.249 -2.780 10.214 1.00 0.43 H new ATOM 0 HA ASN A 144 0.347 -5.446 11.113 1.00 0.53 H new ATOM 0 HB2 ASN A 144 2.808 -5.471 11.912 1.00 0.58 H new ATOM 0 HB3 ASN A 144 2.503 -5.613 10.193 1.00 0.58 H new ATOM 0 HD21 ASN A 144 5.148 -3.249 9.965 1.00 0.91 H new ATOM 0 HD22 ASN A 144 4.720 -4.962 9.896 1.00 0.91 H new ATOM 791 N PRO A 145 0.445 -5.135 13.648 1.00 0.84 N ATOM 792 CA PRO A 145 0.115 -4.918 15.068 1.00 1.07 C ATOM 793 C PRO A 145 1.263 -4.366 15.923 1.00 1.06 C ATOM 794 O PRO A 145 1.102 -4.162 17.121 1.00 1.46 O ATOM 795 CB PRO A 145 -0.221 -6.307 15.603 1.00 1.33 C ATOM 796 CG PRO A 145 0.756 -7.147 14.801 1.00 1.26 C ATOM 797 CD PRO A 145 0.603 -6.556 13.412 1.00 1.04 C ATOM 0 HA PRO A 145 -0.683 -4.178 15.127 1.00 1.07 H new ATOM 0 HB2 PRO A 145 -0.057 -6.390 16.677 1.00 1.33 H new ATOM 0 HB3 PRO A 145 -1.259 -6.585 15.417 1.00 1.33 H new ATOM 0 HG2 PRO A 145 1.776 -7.056 15.174 1.00 1.26 H new ATOM 0 HG3 PRO A 145 0.501 -8.206 14.825 1.00 1.26 H new ATOM 0 HD2 PRO A 145 1.476 -6.763 12.793 1.00 1.04 H new ATOM 0 HD3 PRO A 145 -0.261 -6.973 12.894 1.00 1.04 H new ATOM 805 N VAL A 146 2.439 -4.243 15.316 1.00 0.80 N ATOM 806 CA VAL A 146 3.668 -3.714 15.894 1.00 0.79 C ATOM 807 C VAL A 146 3.417 -2.441 16.722 1.00 1.11 C ATOM 808 O VAL A 146 2.576 -1.619 16.376 1.00 1.82 O ATOM 809 CB VAL A 146 4.752 -3.518 14.814 1.00 0.94 C ATOM 810 CG1 VAL A 146 4.478 -2.381 13.855 1.00 0.88 C ATOM 811 CG2 VAL A 146 6.118 -3.291 15.433 1.00 1.90 C ATOM 0 H VAL A 146 2.566 -4.529 14.345 1.00 0.80 H new ATOM 0 HA VAL A 146 4.049 -4.456 16.595 1.00 0.79 H new ATOM 0 HB VAL A 146 4.732 -4.447 14.245 1.00 0.94 H new ATOM 0 HG11 VAL A 146 5.289 -2.314 13.130 1.00 0.88 H new ATOM 0 HG12 VAL A 146 3.538 -2.563 13.333 1.00 0.88 H new ATOM 0 HG13 VAL A 146 4.409 -1.445 14.410 1.00 0.88 H new ATOM 0 HG21 VAL A 146 6.857 -3.157 14.644 1.00 1.90 H new ATOM 0 HG22 VAL A 146 6.090 -2.399 16.059 1.00 1.90 H new ATOM 0 HG23 VAL A 146 6.390 -4.154 16.042 1.00 1.90 H new ATOM 821 N GLY A 147 4.128 -2.275 17.840 1.00 1.09 N ATOM 822 CA GLY A 147 3.942 -1.157 18.734 1.00 1.30 C ATOM 823 C GLY A 147 5.160 -0.897 19.599 1.00 1.45 C ATOM 824 O GLY A 147 6.229 -1.485 19.458 1.00 1.53 O ATOM 0 H GLY A 147 4.853 -2.926 18.142 1.00 1.09 H new ATOM 0 HA2 GLY A 147 3.717 -0.264 18.152 1.00 1.30 H new ATOM 0 HA3 GLY A 147 3.080 -1.347 19.373 1.00 1.30 H new