USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 513 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 160:sc= -0.0639 (180deg=-0.265) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.195 K(o=-0.2,f=-2.1!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -167:sc= -4.44 (180deg=-4.92!) USER MOD Single : A 122 GLN : amide:sc= -0.215 K(o=-0.21,f=-2.8!) USER MOD Single : A 124 THR OG1 : rot -62:sc= 1.24 USER MOD Single : A 127 THR OG1 : rot 48:sc= 1.05 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.00371 USER MOD Single : A 137 MET CE :methyl -126:sc= -5.9! (180deg=-6.77!) USER MOD Single : A 138 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0204) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.2) USER MOD Single : A 144 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 8.638 5.867 2.167 1.00 1.27 N ATOM 28 CA LYS A 92 8.241 4.431 2.091 1.00 1.47 C ATOM 29 C LYS A 92 6.717 4.309 2.151 1.00 1.40 C ATOM 30 O LYS A 92 5.999 5.194 1.731 1.00 1.56 O ATOM 31 CB LYS A 92 8.881 3.779 3.316 1.00 1.61 C ATOM 32 CG LYS A 92 9.502 2.438 2.918 1.00 1.94 C ATOM 33 CD LYS A 92 9.204 1.397 4.000 1.00 2.31 C ATOM 34 CE LYS A 92 9.648 1.935 5.362 1.00 2.59 C ATOM 35 NZ LYS A 92 8.494 1.684 6.269 1.00 3.20 N ATOM 0 HA LYS A 92 8.564 3.957 1.164 1.00 1.47 H new ATOM 0 HB2 LYS A 92 9.645 4.436 3.733 1.00 1.61 H new ATOM 0 HB3 LYS A 92 8.132 3.628 4.093 1.00 1.61 H new ATOM 0 HG2 LYS A 92 9.099 2.108 1.960 1.00 1.94 H new ATOM 0 HG3 LYS A 92 10.579 2.547 2.790 1.00 1.94 H new ATOM 0 HD2 LYS A 92 8.138 1.169 4.017 1.00 2.31 H new ATOM 0 HD3 LYS A 92 9.725 0.466 3.777 1.00 2.31 H new ATOM 0 HE2 LYS A 92 10.545 1.426 5.714 1.00 2.59 H new ATOM 0 HE3 LYS A 92 9.885 2.998 5.309 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 8.722 2.026 7.224 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 7.656 2.186 5.912 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 8.296 0.664 6.305 1.00 3.20 H new ATOM 49 N SER A 93 6.216 3.224 2.674 1.00 1.38 N ATOM 50 CA SER A 93 4.737 3.061 2.763 1.00 1.40 C ATOM 51 C SER A 93 4.108 4.342 3.311 1.00 1.20 C ATOM 52 O SER A 93 4.798 5.249 3.733 1.00 1.08 O ATOM 53 CB SER A 93 4.523 1.900 3.733 1.00 1.60 C ATOM 54 OG SER A 93 3.180 1.444 3.629 1.00 2.20 O ATOM 0 H SER A 93 6.764 2.446 3.042 1.00 1.38 H new ATOM 0 HA SER A 93 4.279 2.866 1.793 1.00 1.40 H new ATOM 0 HB2 SER A 93 5.214 1.088 3.505 1.00 1.60 H new ATOM 0 HB3 SER A 93 4.733 2.220 4.754 1.00 1.60 H new ATOM 0 HG SER A 93 3.039 0.698 4.249 1.00 2.20 H new ATOM 60 N GLU A 94 2.807 4.428 3.311 1.00 1.26 N ATOM 61 CA GLU A 94 2.148 5.657 3.836 1.00 1.17 C ATOM 62 C GLU A 94 2.711 6.002 5.216 1.00 1.12 C ATOM 63 O GLU A 94 2.636 7.129 5.664 1.00 1.09 O ATOM 64 CB GLU A 94 0.663 5.307 3.928 1.00 1.33 C ATOM 65 CG GLU A 94 -0.046 5.773 2.655 1.00 1.28 C ATOM 66 CD GLU A 94 -1.560 5.721 2.866 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.976 5.224 3.900 1.00 2.09 O ATOM 68 OE2 GLU A 94 -2.276 6.178 1.992 1.00 1.94 O ATOM 0 H GLU A 94 2.174 3.704 2.972 1.00 1.26 H new ATOM 0 HA GLU A 94 2.317 6.524 3.197 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.538 4.232 4.055 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.218 5.784 4.801 1.00 1.33 H new ATOM 0 HG2 GLU A 94 0.262 6.788 2.405 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.237 5.138 1.815 1.00 1.28 H new ATOM 75 N GLU A 95 3.283 5.042 5.891 1.00 1.19 N ATOM 76 CA GLU A 95 3.859 5.321 7.236 1.00 1.23 C ATOM 77 C GLU A 95 4.853 6.480 7.136 1.00 1.03 C ATOM 78 O GLU A 95 4.623 7.554 7.656 1.00 1.01 O ATOM 79 CB GLU A 95 4.570 4.028 7.639 1.00 1.45 C ATOM 80 CG GLU A 95 3.608 2.847 7.489 1.00 1.90 C ATOM 81 CD GLU A 95 3.559 2.060 8.800 1.00 2.12 C ATOM 82 OE1 GLU A 95 4.531 1.387 9.100 1.00 2.66 O ATOM 83 OE2 GLU A 95 2.550 2.143 9.481 1.00 2.49 O ATOM 0 H GLU A 95 3.376 4.079 5.569 1.00 1.19 H new ATOM 0 HA GLU A 95 3.103 5.607 7.968 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.450 3.875 7.015 1.00 1.45 H new ATOM 0 HB3 GLU A 95 4.918 4.098 8.669 1.00 1.45 H new ATOM 0 HG2 GLU A 95 2.612 3.206 7.230 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.934 2.199 6.675 1.00 1.90 H new ATOM 90 N GLU A 96 5.948 6.277 6.456 1.00 1.02 N ATOM 91 CA GLU A 96 6.944 7.375 6.306 1.00 0.94 C ATOM 92 C GLU A 96 6.406 8.410 5.317 1.00 0.79 C ATOM 93 O GLU A 96 6.824 9.551 5.300 1.00 0.82 O ATOM 94 CB GLU A 96 8.199 6.705 5.748 1.00 1.15 C ATOM 95 CG GLU A 96 9.122 6.306 6.901 1.00 1.62 C ATOM 96 CD GLU A 96 10.565 6.232 6.396 1.00 1.99 C ATOM 97 OE1 GLU A 96 10.880 5.283 5.698 1.00 2.18 O ATOM 98 OE2 GLU A 96 11.330 7.127 6.716 1.00 2.78 O ATOM 0 H GLU A 96 6.196 5.400 5.998 1.00 1.02 H new ATOM 0 HA GLU A 96 7.149 7.889 7.245 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.926 5.825 5.166 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.717 7.385 5.072 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.045 7.032 7.710 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.818 5.342 7.308 1.00 1.62 H new ATOM 105 N LEU A 97 5.473 8.012 4.496 1.00 0.77 N ATOM 106 CA LEU A 97 4.888 8.955 3.502 1.00 0.71 C ATOM 107 C LEU A 97 4.043 10.012 4.217 1.00 0.67 C ATOM 108 O LEU A 97 3.801 11.084 3.698 1.00 0.75 O ATOM 109 CB LEU A 97 4.005 8.078 2.612 1.00 0.80 C ATOM 110 CG LEU A 97 4.490 8.146 1.163 1.00 0.77 C ATOM 111 CD1 LEU A 97 4.119 9.502 0.563 1.00 1.40 C ATOM 112 CD2 LEU A 97 6.009 7.966 1.121 1.00 1.22 C ATOM 0 H LEU A 97 5.089 7.068 4.471 1.00 0.77 H new ATOM 0 HA LEU A 97 5.649 9.487 2.931 1.00 0.71 H new ATOM 0 HB2 LEU A 97 4.030 7.047 2.964 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.969 8.411 2.673 1.00 0.80 H new ATOM 0 HG LEU A 97 4.016 7.352 0.586 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.465 9.550 -0.470 1.00 1.40 H new ATOM 0 HD12 LEU A 97 3.037 9.628 0.589 1.00 1.40 H new ATOM 0 HD13 LEU A 97 4.591 10.297 1.141 1.00 1.40 H new ATOM 0 HD21 LEU A 97 6.353 8.015 0.088 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.485 8.757 1.700 1.00 1.22 H new ATOM 0 HD23 LEU A 97 6.272 6.997 1.546 1.00 1.22 H new ATOM 124 N SER A 98 3.589 9.717 5.405 1.00 0.69 N ATOM 125 CA SER A 98 2.758 10.703 6.153 1.00 0.76 C ATOM 126 C SER A 98 3.643 11.806 6.740 1.00 0.72 C ATOM 127 O SER A 98 3.264 12.960 6.786 1.00 0.77 O ATOM 128 CB SER A 98 2.091 9.897 7.268 1.00 0.92 C ATOM 129 OG SER A 98 0.736 10.305 7.396 1.00 1.57 O ATOM 0 H SER A 98 3.758 8.836 5.890 1.00 0.69 H new ATOM 0 HA SER A 98 2.025 11.194 5.513 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.142 8.832 7.043 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.619 10.050 8.209 1.00 0.92 H new ATOM 0 HG SER A 98 0.305 9.789 8.109 1.00 1.57 H new ATOM 135 N ASP A 99 4.819 11.461 7.190 1.00 0.80 N ATOM 136 CA ASP A 99 5.725 12.493 7.773 1.00 0.86 C ATOM 137 C ASP A 99 6.709 12.996 6.714 1.00 0.81 C ATOM 138 O ASP A 99 7.399 13.977 6.910 1.00 0.91 O ATOM 139 CB ASP A 99 6.471 11.776 8.900 1.00 1.02 C ATOM 140 CG ASP A 99 6.104 12.413 10.242 1.00 1.23 C ATOM 141 OD1 ASP A 99 5.097 12.018 10.807 1.00 1.83 O ATOM 142 OD2 ASP A 99 6.836 13.284 10.681 1.00 1.79 O ATOM 0 H ASP A 99 5.191 10.511 7.179 1.00 0.80 H new ATOM 0 HA ASP A 99 5.178 13.363 8.135 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.212 10.717 8.905 1.00 1.02 H new ATOM 0 HB3 ASP A 99 7.547 11.841 8.737 1.00 1.02 H new ATOM 147 N LEU A 100 6.780 12.332 5.593 1.00 0.75 N ATOM 148 CA LEU A 100 7.721 12.773 4.523 1.00 0.76 C ATOM 149 C LEU A 100 7.114 13.930 3.724 1.00 0.68 C ATOM 150 O LEU A 100 7.817 14.773 3.203 1.00 0.79 O ATOM 151 CB LEU A 100 7.907 11.544 3.632 1.00 0.86 C ATOM 152 CG LEU A 100 8.585 11.956 2.325 1.00 0.79 C ATOM 153 CD1 LEU A 100 10.035 12.353 2.604 1.00 1.41 C ATOM 154 CD2 LEU A 100 8.560 10.780 1.347 1.00 1.41 C ATOM 0 H LEU A 100 6.228 11.504 5.371 1.00 0.75 H new ATOM 0 HA LEU A 100 8.667 13.132 4.927 1.00 0.76 H new ATOM 0 HB2 LEU A 100 8.511 10.797 4.147 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.941 11.084 3.423 1.00 0.86 H new ATOM 0 HG LEU A 100 8.053 12.803 1.892 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.518 12.647 1.672 1.00 1.41 H new ATOM 0 HD12 LEU A 100 10.055 13.190 3.302 1.00 1.41 H new ATOM 0 HD13 LEU A 100 10.567 11.506 3.037 1.00 1.41 H new ATOM 0 HD21 LEU A 100 9.043 11.072 0.414 1.00 1.41 H new ATOM 0 HD22 LEU A 100 9.092 9.934 1.782 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.527 10.495 1.147 1.00 1.41 H new ATOM 166 N PHE A 101 5.814 13.976 3.622 1.00 0.60 N ATOM 167 CA PHE A 101 5.164 15.077 2.854 1.00 0.59 C ATOM 168 C PHE A 101 5.236 16.389 3.641 1.00 0.60 C ATOM 169 O PHE A 101 5.537 17.434 3.098 1.00 0.72 O ATOM 170 CB PHE A 101 3.711 14.634 2.684 1.00 0.61 C ATOM 171 CG PHE A 101 2.876 15.806 2.227 1.00 0.58 C ATOM 172 CD1 PHE A 101 3.133 16.408 0.990 1.00 0.86 C ATOM 173 CD2 PHE A 101 1.846 16.291 3.042 1.00 0.68 C ATOM 174 CE1 PHE A 101 2.359 17.495 0.567 1.00 0.90 C ATOM 175 CE2 PHE A 101 1.072 17.378 2.619 1.00 0.73 C ATOM 176 CZ PHE A 101 1.328 17.980 1.381 1.00 0.69 C ATOM 0 H PHE A 101 5.173 13.299 4.037 1.00 0.60 H new ATOM 0 HA PHE A 101 5.652 15.256 1.896 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.649 13.825 1.956 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.326 14.245 3.627 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.928 16.034 0.362 1.00 0.86 H new ATOM 0 HD2 PHE A 101 1.649 15.827 3.997 1.00 0.68 H new ATOM 0 HE1 PHE A 101 2.557 17.960 -0.388 1.00 0.90 H new ATOM 0 HE2 PHE A 101 0.277 17.752 3.247 1.00 0.73 H new ATOM 0 HZ PHE A 101 0.730 18.818 1.054 1.00 0.69 H new ATOM 186 N ARG A 102 4.959 16.344 4.915 1.00 0.67 N ATOM 187 CA ARG A 102 5.007 17.590 5.734 1.00 0.76 C ATOM 188 C ARG A 102 6.459 18.009 5.983 1.00 0.68 C ATOM 189 O ARG A 102 6.729 19.088 6.471 1.00 0.78 O ATOM 190 CB ARG A 102 4.323 17.224 7.052 1.00 0.99 C ATOM 191 CG ARG A 102 5.095 16.090 7.731 1.00 1.30 C ATOM 192 CD ARG A 102 5.515 16.529 9.136 1.00 1.45 C ATOM 193 NE ARG A 102 4.413 16.075 10.029 1.00 2.12 N ATOM 194 CZ ARG A 102 4.490 16.271 11.319 1.00 2.71 C ATOM 195 NH1 ARG A 102 5.536 16.859 11.833 1.00 3.07 N ATOM 196 NH2 ARG A 102 3.518 15.878 12.096 1.00 3.37 N ATOM 0 H ARG A 102 4.701 15.499 5.425 1.00 0.67 H new ATOM 0 HA ARG A 102 4.517 18.427 5.237 1.00 0.76 H new ATOM 0 HB2 ARG A 102 4.283 18.094 7.707 1.00 0.99 H new ATOM 0 HB3 ARG A 102 3.294 16.917 6.867 1.00 0.99 H new ATOM 0 HG2 ARG A 102 4.474 15.196 7.788 1.00 1.30 H new ATOM 0 HG3 ARG A 102 5.974 15.830 7.141 1.00 1.30 H new ATOM 0 HD2 ARG A 102 6.465 16.079 9.422 1.00 1.45 H new ATOM 0 HD3 ARG A 102 5.646 17.610 9.189 1.00 1.45 H new ATOM 0 HE ARG A 102 3.596 15.610 9.633 1.00 2.12 H new ATOM 0 HH11 ARG A 102 6.297 17.167 11.227 1.00 3.07 H new ATOM 0 HH12 ARG A 102 5.593 17.010 12.840 1.00 3.07 H new ATOM 0 HH21 ARG A 102 2.700 15.419 11.696 1.00 3.37 H new ATOM 0 HH22 ARG A 102 3.577 16.030 13.103 1.00 3.37 H new ATOM 210 N MET A 103 7.396 17.162 5.654 1.00 0.71 N ATOM 211 CA MET A 103 8.829 17.513 5.875 1.00 0.75 C ATOM 212 C MET A 103 9.437 18.104 4.600 1.00 0.68 C ATOM 213 O MET A 103 10.467 18.747 4.634 1.00 0.83 O ATOM 214 CB MET A 103 9.507 16.189 6.230 1.00 0.93 C ATOM 215 CG MET A 103 9.956 16.222 7.692 1.00 1.27 C ATOM 216 SD MET A 103 10.758 14.654 8.113 1.00 1.82 S ATOM 217 CE MET A 103 9.600 14.145 9.407 1.00 2.43 C ATOM 0 H MET A 103 7.232 16.243 5.242 1.00 0.71 H new ATOM 0 HA MET A 103 8.955 18.261 6.658 1.00 0.75 H new ATOM 0 HB2 MET A 103 8.817 15.360 6.069 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.365 16.021 5.579 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.646 17.050 7.853 1.00 1.27 H new ATOM 0 HG3 MET A 103 9.098 16.390 8.343 1.00 1.27 H new ATOM 0 HE1 MET A 103 9.681 13.070 9.565 1.00 2.43 H new ATOM 0 HE2 MET A 103 9.838 14.667 10.334 1.00 2.43 H new ATOM 0 HE3 MET A 103 8.583 14.392 9.103 1.00 2.43 H new ATOM 227 N PHE A 104 8.811 17.891 3.475 1.00 0.68 N ATOM 228 CA PHE A 104 9.359 18.440 2.203 1.00 0.79 C ATOM 229 C PHE A 104 8.942 19.903 2.031 1.00 0.71 C ATOM 230 O PHE A 104 9.662 20.701 1.464 1.00 0.88 O ATOM 231 CB PHE A 104 8.747 17.574 1.102 1.00 0.94 C ATOM 232 CG PHE A 104 9.806 16.654 0.545 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.257 15.566 1.302 1.00 1.26 C ATOM 234 CD2 PHE A 104 10.338 16.889 -0.728 1.00 2.03 C ATOM 235 CE1 PHE A 104 11.242 14.715 0.787 1.00 1.86 C ATOM 236 CE2 PHE A 104 11.322 16.038 -1.244 1.00 2.65 C ATOM 237 CZ PHE A 104 11.775 14.951 -0.486 1.00 2.56 C ATOM 0 H PHE A 104 7.945 17.361 3.382 1.00 0.68 H new ATOM 0 HA PHE A 104 10.449 18.418 2.181 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.916 16.992 1.501 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.343 18.204 0.310 1.00 0.94 H new ATOM 0 HD1 PHE A 104 9.845 15.383 2.283 1.00 1.26 H new ATOM 0 HD2 PHE A 104 9.989 17.727 -1.312 1.00 2.03 H new ATOM 0 HE1 PHE A 104 11.591 13.877 1.372 1.00 1.86 H new ATOM 0 HE2 PHE A 104 11.732 16.220 -2.227 1.00 2.65 H new ATOM 0 HZ PHE A 104 12.535 14.295 -0.883 1.00 2.56 H new ATOM 247 N ASP A 105 7.785 20.262 2.514 1.00 0.61 N ATOM 248 CA ASP A 105 7.325 21.674 2.376 1.00 0.60 C ATOM 249 C ASP A 105 8.268 22.618 3.127 1.00 0.56 C ATOM 250 O ASP A 105 8.118 22.848 4.310 1.00 0.63 O ATOM 251 CB ASP A 105 5.932 21.701 3.005 1.00 0.68 C ATOM 252 CG ASP A 105 5.044 22.684 2.240 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.573 22.320 1.174 1.00 1.45 O ATOM 254 OD2 ASP A 105 4.849 23.782 2.732 1.00 0.84 O ATOM 0 H ASP A 105 7.138 19.640 2.998 1.00 0.61 H new ATOM 0 HA ASP A 105 7.311 22.001 1.336 1.00 0.60 H new ATOM 0 HB2 ASP A 105 5.492 20.704 2.982 1.00 0.68 H new ATOM 0 HB3 ASP A 105 6.000 21.996 4.052 1.00 0.68 H new ATOM 259 N LYS A 106 9.237 23.168 2.448 1.00 0.59 N ATOM 260 CA LYS A 106 10.184 24.100 3.124 1.00 0.66 C ATOM 261 C LYS A 106 9.507 25.453 3.361 1.00 0.55 C ATOM 262 O LYS A 106 9.993 26.279 4.108 1.00 0.63 O ATOM 263 CB LYS A 106 11.358 24.247 2.155 1.00 0.87 C ATOM 264 CG LYS A 106 12.427 25.148 2.776 1.00 1.21 C ATOM 265 CD LYS A 106 13.817 24.606 2.432 1.00 1.61 C ATOM 266 CE LYS A 106 14.432 25.449 1.313 1.00 1.77 C ATOM 267 NZ LYS A 106 15.054 26.612 2.005 1.00 2.14 N ATOM 0 H LYS A 106 9.414 23.013 1.456 1.00 0.59 H new ATOM 0 HA LYS A 106 10.507 23.730 4.097 1.00 0.66 H new ATOM 0 HB2 LYS A 106 11.780 23.268 1.928 1.00 0.87 H new ATOM 0 HB3 LYS A 106 11.013 24.672 1.212 1.00 0.87 H new ATOM 0 HG2 LYS A 106 12.320 26.167 2.403 1.00 1.21 H new ATOM 0 HG3 LYS A 106 12.299 25.189 3.858 1.00 1.21 H new ATOM 0 HD2 LYS A 106 14.457 24.631 3.314 1.00 1.61 H new ATOM 0 HD3 LYS A 106 13.745 23.564 2.119 1.00 1.61 H new ATOM 0 HE2 LYS A 106 15.174 24.880 0.752 1.00 1.77 H new ATOM 0 HE3 LYS A 106 13.674 25.773 0.600 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 15.497 27.238 1.302 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.323 27.138 2.525 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 15.777 26.273 2.672 1.00 2.14 H new ATOM 281 N ASN A 107 8.386 25.684 2.734 1.00 0.48 N ATOM 282 CA ASN A 107 7.677 26.981 2.928 1.00 0.50 C ATOM 283 C ASN A 107 6.966 26.992 4.284 1.00 0.58 C ATOM 284 O ASN A 107 6.347 27.966 4.664 1.00 0.70 O ATOM 285 CB ASN A 107 6.659 27.054 1.789 1.00 0.54 C ATOM 286 CG ASN A 107 6.365 28.519 1.459 1.00 0.70 C ATOM 287 OD1 ASN A 107 7.215 29.373 1.621 1.00 1.00 O ATOM 288 ND2 ASN A 107 5.189 28.849 0.999 1.00 0.78 N ATOM 0 H ASN A 107 7.931 25.031 2.096 1.00 0.48 H new ATOM 0 HA ASN A 107 8.359 27.831 2.917 1.00 0.50 H new ATOM 0 HB2 ASN A 107 7.046 26.543 0.908 1.00 0.54 H new ATOM 0 HB3 ASN A 107 5.740 26.543 2.076 1.00 0.54 H new ATOM 0 HD21 ASN A 107 4.984 29.823 0.776 1.00 0.78 H new ATOM 0 HD22 ASN A 107 4.475 28.133 0.863 1.00 0.78 H new ATOM 295 N ALA A 108 7.050 25.915 5.016 1.00 0.65 N ATOM 296 CA ALA A 108 6.380 25.862 6.347 1.00 0.84 C ATOM 297 C ALA A 108 4.897 26.215 6.206 1.00 0.78 C ATOM 298 O ALA A 108 4.509 27.362 6.312 1.00 0.96 O ATOM 299 CB ALA A 108 7.102 26.908 7.195 1.00 1.03 C ATOM 0 H ALA A 108 7.554 25.069 4.750 1.00 0.65 H new ATOM 0 HA ALA A 108 6.429 24.870 6.796 1.00 0.84 H new ATOM 0 HB1 ALA A 108 6.666 26.931 8.194 1.00 1.03 H new ATOM 0 HB2 ALA A 108 8.159 26.652 7.266 1.00 1.03 H new ATOM 0 HB3 ALA A 108 6.997 27.889 6.731 1.00 1.03 H new ATOM 305 N ASP A 109 4.066 25.238 5.969 1.00 0.73 N ATOM 306 CA ASP A 109 2.609 25.519 5.821 1.00 0.74 C ATOM 307 C ASP A 109 1.826 24.205 5.746 1.00 0.78 C ATOM 308 O ASP A 109 0.751 24.079 6.298 1.00 0.96 O ATOM 309 CB ASP A 109 2.489 26.296 4.510 1.00 0.72 C ATOM 310 CG ASP A 109 1.032 26.294 4.043 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.159 26.375 4.891 1.00 1.95 O ATOM 312 OD2 ASP A 109 0.815 26.210 2.845 1.00 1.66 O ATOM 0 H ASP A 109 4.332 24.258 5.871 1.00 0.73 H new ATOM 0 HA ASP A 109 2.205 26.081 6.663 1.00 0.74 H new ATOM 0 HB2 ASP A 109 2.835 27.320 4.650 1.00 0.72 H new ATOM 0 HB3 ASP A 109 3.126 25.845 3.749 1.00 0.72 H new ATOM 317 N GLY A 110 2.358 23.226 5.067 1.00 0.76 N ATOM 318 CA GLY A 110 1.645 21.922 4.958 1.00 0.85 C ATOM 319 C GLY A 110 1.029 21.790 3.564 1.00 0.70 C ATOM 320 O GLY A 110 0.159 20.972 3.335 1.00 0.73 O ATOM 0 H GLY A 110 3.255 23.273 4.583 1.00 0.76 H new ATOM 0 HA2 GLY A 110 2.338 21.101 5.140 1.00 0.85 H new ATOM 0 HA3 GLY A 110 0.867 21.857 5.718 1.00 0.85 H new ATOM 324 N TYR A 111 1.472 22.587 2.630 1.00 0.68 N ATOM 325 CA TYR A 111 0.910 22.505 1.251 1.00 0.60 C ATOM 326 C TYR A 111 2.019 22.703 0.213 1.00 0.58 C ATOM 327 O TYR A 111 2.734 23.684 0.235 1.00 0.83 O ATOM 328 CB TYR A 111 -0.109 23.642 1.169 1.00 0.68 C ATOM 329 CG TYR A 111 -1.292 23.322 2.050 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.349 22.552 1.551 1.00 0.71 C ATOM 331 CD2 TYR A 111 -1.330 23.793 3.368 1.00 0.78 C ATOM 332 CE1 TYR A 111 -3.446 22.255 2.369 1.00 0.78 C ATOM 333 CE2 TYR A 111 -2.426 23.496 4.186 1.00 0.83 C ATOM 334 CZ TYR A 111 -3.484 22.726 3.687 1.00 0.80 C ATOM 335 OH TYR A 111 -4.563 22.433 4.494 1.00 0.90 O ATOM 0 H TYR A 111 2.198 23.291 2.762 1.00 0.68 H new ATOM 0 HA TYR A 111 0.456 21.535 1.049 1.00 0.60 H new ATOM 0 HB2 TYR A 111 0.350 24.579 1.484 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -0.436 23.778 0.138 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.318 22.187 0.535 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -0.513 24.386 3.753 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -4.263 21.663 1.983 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -2.456 23.861 5.202 1.00 0.83 H new ATOM 0 HH TYR A 111 -4.429 22.835 5.378 1.00 0.90 H new ATOM 345 N ILE A 112 2.166 21.780 -0.695 1.00 0.50 N ATOM 346 CA ILE A 112 3.228 21.917 -1.733 1.00 0.50 C ATOM 347 C ILE A 112 2.634 22.498 -3.019 1.00 0.49 C ATOM 348 O ILE A 112 1.747 21.923 -3.619 1.00 0.66 O ATOM 349 CB ILE A 112 3.733 20.494 -1.969 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.313 19.939 -0.666 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.820 20.507 -3.045 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.910 18.555 -0.922 1.00 0.66 C ATOM 0 H ILE A 112 1.597 20.936 -0.764 1.00 0.50 H new ATOM 0 HA ILE A 112 4.030 22.587 -1.422 1.00 0.50 H new ATOM 0 HB ILE A 112 2.906 19.865 -2.298 1.00 0.50 H new ATOM 0 HG12 ILE A 112 5.079 20.612 -0.281 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.534 19.876 0.093 1.00 0.62 H new ATOM 0 HG21 ILE A 112 5.179 19.491 -3.212 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.408 20.904 -3.973 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.648 21.135 -2.718 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.323 18.160 0.006 1.00 0.66 H new ATOM 0 HD12 ILE A 112 4.132 17.885 -1.287 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.701 18.632 -1.668 1.00 0.66 H new ATOM 364 N ASP A 113 3.113 23.634 -3.447 1.00 0.47 N ATOM 365 CA ASP A 113 2.572 24.249 -4.693 1.00 0.50 C ATOM 366 C ASP A 113 3.630 24.229 -5.799 1.00 0.50 C ATOM 367 O ASP A 113 4.737 23.764 -5.606 1.00 0.57 O ATOM 368 CB ASP A 113 2.228 25.687 -4.308 1.00 0.60 C ATOM 369 CG ASP A 113 1.334 25.683 -3.067 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.674 24.683 -2.840 1.00 1.85 O ATOM 371 OD2 ASP A 113 1.323 26.681 -2.365 1.00 1.77 O ATOM 0 H ASP A 113 3.855 24.163 -2.988 1.00 0.47 H new ATOM 0 HA ASP A 113 1.705 23.710 -5.075 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.140 26.250 -4.110 1.00 0.60 H new ATOM 0 HB3 ASP A 113 1.719 26.184 -5.134 1.00 0.60 H new ATOM 376 N LEU A 114 3.299 24.732 -6.957 1.00 0.52 N ATOM 377 CA LEU A 114 4.285 24.744 -8.076 1.00 0.57 C ATOM 378 C LEU A 114 5.574 25.444 -7.637 1.00 0.63 C ATOM 379 O LEU A 114 6.662 25.049 -8.005 1.00 0.80 O ATOM 380 CB LEU A 114 3.601 25.530 -9.196 1.00 0.62 C ATOM 381 CG LEU A 114 2.681 24.599 -9.987 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.711 25.432 -10.828 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.523 23.714 -10.908 1.00 0.81 C ATOM 0 H LEU A 114 2.388 25.135 -7.177 1.00 0.52 H new ATOM 0 HA LEU A 114 4.563 23.739 -8.394 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.026 26.356 -8.776 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.349 25.967 -9.857 1.00 0.62 H new ATOM 0 HG LEU A 114 2.117 23.973 -9.296 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.055 24.768 -11.392 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.111 26.064 -10.173 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.274 26.058 -11.520 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.869 23.050 -11.472 1.00 0.81 H new ATOM 0 HD22 LEU A 114 4.087 24.341 -11.599 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.214 23.120 -10.310 1.00 0.81 H new ATOM 395 N ASP A 115 5.459 26.480 -6.852 1.00 0.61 N ATOM 396 CA ASP A 115 6.679 27.205 -6.391 1.00 0.71 C ATOM 397 C ASP A 115 7.464 26.346 -5.396 1.00 0.65 C ATOM 398 O ASP A 115 8.674 26.415 -5.323 1.00 0.89 O ATOM 399 CB ASP A 115 6.155 28.469 -5.709 1.00 0.80 C ATOM 400 CG ASP A 115 5.256 29.238 -6.678 1.00 1.17 C ATOM 401 OD1 ASP A 115 5.652 29.401 -7.820 1.00 1.76 O ATOM 402 OD2 ASP A 115 4.186 29.651 -6.262 1.00 1.76 O ATOM 0 H ASP A 115 4.575 26.856 -6.510 1.00 0.61 H new ATOM 0 HA ASP A 115 7.356 27.435 -7.214 1.00 0.71 H new ATOM 0 HB2 ASP A 115 5.597 28.205 -4.811 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.988 29.097 -5.394 1.00 0.80 H new ATOM 407 N GLU A 116 6.785 25.538 -4.630 1.00 0.51 N ATOM 408 CA GLU A 116 7.495 24.676 -3.641 1.00 0.48 C ATOM 409 C GLU A 116 7.783 23.300 -4.247 1.00 0.49 C ATOM 410 O GLU A 116 8.656 22.584 -3.797 1.00 0.63 O ATOM 411 CB GLU A 116 6.532 24.552 -2.460 1.00 0.48 C ATOM 412 CG GLU A 116 6.018 25.940 -2.072 1.00 0.57 C ATOM 413 CD GLU A 116 5.119 25.827 -0.839 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.539 25.201 0.120 1.00 1.36 O ATOM 415 OE2 GLU A 116 4.025 26.367 -0.876 1.00 1.19 O ATOM 0 H GLU A 116 5.770 25.437 -4.645 1.00 0.51 H new ATOM 0 HA GLU A 116 8.455 25.097 -3.341 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.696 23.904 -2.725 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.037 24.090 -1.612 1.00 0.48 H new ATOM 0 HG2 GLU A 116 6.857 26.605 -1.864 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.462 26.378 -2.901 1.00 0.57 H new ATOM 422 N LEU A 117 7.057 22.924 -5.265 1.00 0.48 N ATOM 423 CA LEU A 117 7.293 21.594 -5.899 1.00 0.52 C ATOM 424 C LEU A 117 8.747 21.481 -6.362 1.00 0.58 C ATOM 425 O LEU A 117 9.311 20.406 -6.414 1.00 0.69 O ATOM 426 CB LEU A 117 6.347 21.554 -7.100 1.00 0.55 C ATOM 427 CG LEU A 117 4.967 21.070 -6.651 1.00 0.50 C ATOM 428 CD1 LEU A 117 3.972 21.234 -7.801 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.048 19.594 -6.255 1.00 0.53 C ATOM 0 H LEU A 117 6.311 23.479 -5.685 1.00 0.48 H new ATOM 0 HA LEU A 117 7.112 20.770 -5.209 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.268 22.545 -7.547 1.00 0.55 H new ATOM 0 HB3 LEU A 117 6.745 20.889 -7.867 1.00 0.55 H new ATOM 0 HG LEU A 117 4.636 21.658 -5.795 1.00 0.50 H new ATOM 0 HD11 LEU A 117 2.988 20.890 -7.483 1.00 0.58 H new ATOM 0 HD12 LEU A 117 3.914 22.285 -8.085 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.304 20.645 -8.656 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.065 19.249 -5.935 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.379 19.005 -7.111 1.00 0.53 H new ATOM 0 HD23 LEU A 117 5.758 19.475 -5.437 1.00 0.53 H new ATOM 441 N LYS A 118 9.355 22.584 -6.702 1.00 0.59 N ATOM 442 CA LYS A 118 10.772 22.543 -7.166 1.00 0.69 C ATOM 443 C LYS A 118 11.724 22.630 -5.971 1.00 0.64 C ATOM 444 O LYS A 118 12.827 22.122 -6.005 1.00 0.73 O ATOM 445 CB LYS A 118 10.928 23.771 -8.063 1.00 0.83 C ATOM 446 CG LYS A 118 10.937 25.035 -7.201 1.00 0.99 C ATOM 447 CD LYS A 118 10.695 26.260 -8.086 1.00 1.35 C ATOM 448 CE LYS A 118 11.922 27.174 -8.041 1.00 1.51 C ATOM 449 NZ LYS A 118 12.478 27.140 -9.422 1.00 1.99 N ATOM 0 H LYS A 118 8.933 23.512 -6.679 1.00 0.59 H new ATOM 0 HA LYS A 118 11.007 21.618 -7.692 1.00 0.69 H new ATOM 0 HB2 LYS A 118 11.853 23.702 -8.635 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.111 23.815 -8.783 1.00 0.83 H new ATOM 0 HG2 LYS A 118 10.166 24.970 -6.434 1.00 0.99 H new ATOM 0 HG3 LYS A 118 11.893 25.129 -6.685 1.00 0.99 H new ATOM 0 HD2 LYS A 118 10.499 25.948 -9.112 1.00 1.35 H new ATOM 0 HD3 LYS A 118 9.813 26.801 -7.743 1.00 1.35 H new ATOM 0 HE2 LYS A 118 11.648 28.188 -7.751 1.00 1.51 H new ATOM 0 HE3 LYS A 118 12.652 26.820 -7.313 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 13.323 27.744 -9.471 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 12.736 26.163 -9.668 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 11.764 27.489 -10.092 1.00 1.99 H new ATOM 463 N ILE A 119 11.308 23.275 -4.916 1.00 0.68 N ATOM 464 CA ILE A 119 12.191 23.400 -3.721 1.00 0.74 C ATOM 465 C ILE A 119 12.055 22.168 -2.822 1.00 0.75 C ATOM 466 O ILE A 119 12.972 21.802 -2.114 1.00 0.85 O ATOM 467 CB ILE A 119 11.695 24.649 -2.993 1.00 0.98 C ATOM 468 CG1 ILE A 119 11.984 25.888 -3.845 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.416 24.779 -1.651 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.490 27.137 -3.114 1.00 1.06 C ATOM 0 H ILE A 119 10.395 23.721 -4.829 1.00 0.68 H new ATOM 0 HA ILE A 119 13.243 23.475 -3.995 1.00 0.74 H new ATOM 0 HB ILE A 119 10.621 24.565 -2.824 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.054 25.967 -4.040 1.00 1.22 H new ATOM 0 HG13 ILE A 119 11.489 25.801 -4.812 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.062 25.670 -1.132 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.211 23.899 -1.041 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.490 24.861 -1.821 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.696 28.019 -3.721 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.417 27.057 -2.942 1.00 1.06 H new ATOM 0 HD13 ILE A 119 12.005 27.226 -2.157 1.00 1.06 H new ATOM 482 N MET A 120 10.919 21.527 -2.839 1.00 0.85 N ATOM 483 CA MET A 120 10.733 20.324 -1.976 1.00 1.01 C ATOM 484 C MET A 120 11.692 19.207 -2.403 1.00 0.95 C ATOM 485 O MET A 120 12.185 18.455 -1.586 1.00 1.11 O ATOM 486 CB MET A 120 9.272 19.903 -2.183 1.00 1.17 C ATOM 487 CG MET A 120 9.132 19.098 -3.479 1.00 1.52 C ATOM 488 SD MET A 120 7.445 18.455 -3.610 1.00 1.88 S ATOM 489 CE MET A 120 7.594 17.159 -2.355 1.00 1.43 C ATOM 0 H MET A 120 10.114 21.782 -3.410 1.00 0.85 H new ATOM 0 HA MET A 120 10.946 20.532 -0.928 1.00 1.01 H new ATOM 0 HB2 MET A 120 8.935 19.305 -1.337 1.00 1.17 H new ATOM 0 HB3 MET A 120 8.634 20.786 -2.224 1.00 1.17 H new ATOM 0 HG2 MET A 120 9.360 19.729 -4.338 1.00 1.52 H new ATOM 0 HG3 MET A 120 9.848 18.276 -3.488 1.00 1.52 H new ATOM 0 HE1 MET A 120 6.742 16.483 -2.427 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.516 16.600 -2.517 1.00 1.43 H new ATOM 0 HE3 MET A 120 7.614 17.613 -1.364 1.00 1.43 H new ATOM 499 N LEU A 121 11.954 19.088 -3.675 1.00 0.87 N ATOM 500 CA LEU A 121 12.874 18.014 -4.147 1.00 0.95 C ATOM 501 C LEU A 121 14.325 18.502 -4.141 1.00 0.87 C ATOM 502 O LEU A 121 15.250 17.719 -4.217 1.00 0.97 O ATOM 503 CB LEU A 121 12.420 17.705 -5.572 1.00 1.09 C ATOM 504 CG LEU A 121 11.897 16.271 -5.637 1.00 1.41 C ATOM 505 CD1 LEU A 121 10.367 16.285 -5.644 1.00 2.03 C ATOM 506 CD2 LEU A 121 12.406 15.604 -6.916 1.00 1.80 C ATOM 0 H LEU A 121 11.572 19.686 -4.407 1.00 0.87 H new ATOM 0 HA LEU A 121 12.839 17.135 -3.503 1.00 0.95 H new ATOM 0 HB2 LEU A 121 11.640 18.403 -5.876 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.251 17.833 -6.266 1.00 1.09 H new ATOM 0 HG LEU A 121 12.250 15.714 -4.769 1.00 1.41 H new ATOM 0 HD11 LEU A 121 9.994 15.262 -5.690 1.00 2.03 H new ATOM 0 HD12 LEU A 121 10.003 16.763 -4.734 1.00 2.03 H new ATOM 0 HD13 LEU A 121 10.012 16.840 -6.512 1.00 2.03 H new ATOM 0 HD21 LEU A 121 12.034 14.580 -6.965 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.051 16.161 -7.783 1.00 1.80 H new ATOM 0 HD23 LEU A 121 13.496 15.595 -6.912 1.00 1.80 H new ATOM 518 N GLN A 122 14.534 19.786 -4.053 1.00 0.82 N ATOM 519 CA GLN A 122 15.930 20.309 -4.044 1.00 0.95 C ATOM 520 C GLN A 122 16.782 19.514 -3.050 1.00 1.04 C ATOM 521 O GLN A 122 17.990 19.450 -3.165 1.00 1.19 O ATOM 522 CB GLN A 122 15.809 21.768 -3.606 1.00 1.14 C ATOM 523 CG GLN A 122 16.681 22.644 -4.509 1.00 1.42 C ATOM 524 CD GLN A 122 17.197 23.845 -3.715 1.00 1.85 C ATOM 525 OE1 GLN A 122 17.284 23.796 -2.504 1.00 2.44 O ATOM 526 NE2 GLN A 122 17.547 24.929 -4.351 1.00 2.28 N ATOM 0 H GLN A 122 13.802 20.494 -3.987 1.00 0.82 H new ATOM 0 HA GLN A 122 16.411 20.220 -5.018 1.00 0.95 H new ATOM 0 HB2 GLN A 122 14.769 22.091 -3.662 1.00 1.14 H new ATOM 0 HB3 GLN A 122 16.121 21.874 -2.567 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.519 22.064 -4.896 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.104 22.984 -5.369 1.00 1.42 H new ATOM 0 HE21 GLN A 122 17.474 24.970 -5.368 1.00 2.28 H new ATOM 0 HE22 GLN A 122 17.894 25.736 -3.832 1.00 2.28 H new ATOM 535 N ALA A 123 16.160 18.905 -2.078 1.00 1.09 N ATOM 536 CA ALA A 123 16.934 18.112 -1.081 1.00 1.33 C ATOM 537 C ALA A 123 17.497 16.849 -1.738 1.00 1.38 C ATOM 538 O ALA A 123 18.263 16.116 -1.144 1.00 1.62 O ATOM 539 CB ALA A 123 15.921 17.747 0.005 1.00 1.45 C ATOM 0 H ALA A 123 15.151 18.922 -1.931 1.00 1.09 H new ATOM 0 HA ALA A 123 17.782 18.666 -0.677 1.00 1.33 H new ATOM 0 HB1 ALA A 123 16.414 17.160 0.780 1.00 1.45 H new ATOM 0 HB2 ALA A 123 15.514 18.658 0.444 1.00 1.45 H new ATOM 0 HB3 ALA A 123 15.112 17.163 -0.434 1.00 1.45 H new ATOM 545 N THR A 124 17.123 16.590 -2.962 1.00 1.29 N ATOM 546 CA THR A 124 17.637 15.375 -3.660 1.00 1.47 C ATOM 547 C THR A 124 18.511 15.778 -4.851 1.00 1.44 C ATOM 548 O THR A 124 19.168 14.956 -5.457 1.00 1.72 O ATOM 549 CB THR A 124 16.389 14.633 -4.140 1.00 1.56 C ATOM 550 OG1 THR A 124 15.813 15.336 -5.233 1.00 2.16 O ATOM 551 CG2 THR A 124 15.375 14.541 -2.999 1.00 1.92 C ATOM 0 H THR A 124 16.484 17.167 -3.509 1.00 1.29 H new ATOM 0 HA THR A 124 18.253 14.756 -3.008 1.00 1.47 H new ATOM 0 HB THR A 124 16.665 13.628 -4.458 1.00 1.56 H new ATOM 0 HG1 THR A 124 15.539 16.230 -4.939 1.00 2.16 H new ATOM 0 HG21 THR A 124 14.487 14.012 -3.344 1.00 1.92 H new ATOM 0 HG22 THR A 124 15.817 14.001 -2.162 1.00 1.92 H new ATOM 0 HG23 THR A 124 15.097 15.545 -2.677 1.00 1.92 H new ATOM 559 N GLY A 125 18.523 17.038 -5.190 1.00 1.26 N ATOM 560 CA GLY A 125 19.354 17.492 -6.341 1.00 1.32 C ATOM 561 C GLY A 125 18.503 17.512 -7.612 1.00 1.26 C ATOM 562 O GLY A 125 18.986 17.263 -8.698 1.00 1.63 O ATOM 0 H GLY A 125 17.994 17.772 -4.720 1.00 1.26 H new ATOM 0 HA2 GLY A 125 19.754 18.486 -6.144 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.206 16.826 -6.472 1.00 1.32 H new ATOM 566 N GLU A 126 17.238 17.808 -7.486 1.00 1.02 N ATOM 567 CA GLU A 126 16.357 17.845 -8.689 1.00 1.08 C ATOM 568 C GLU A 126 16.851 18.906 -9.675 1.00 0.89 C ATOM 569 O GLU A 126 16.485 20.062 -9.591 1.00 0.87 O ATOM 570 CB GLU A 126 14.973 18.214 -8.155 1.00 1.34 C ATOM 571 CG GLU A 126 15.034 19.586 -7.480 1.00 1.45 C ATOM 572 CD GLU A 126 14.110 20.558 -8.216 1.00 1.61 C ATOM 573 OE1 GLU A 126 12.906 20.402 -8.099 1.00 2.09 O ATOM 574 OE2 GLU A 126 14.622 21.440 -8.884 1.00 2.16 O ATOM 0 H GLU A 126 16.776 18.026 -6.603 1.00 1.02 H new ATOM 0 HA GLU A 126 16.349 16.895 -9.223 1.00 1.08 H new ATOM 0 HB2 GLU A 126 14.250 18.230 -8.970 1.00 1.34 H new ATOM 0 HB3 GLU A 126 14.634 17.462 -7.443 1.00 1.34 H new ATOM 0 HG2 GLU A 126 14.734 19.503 -6.435 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.057 19.962 -7.489 1.00 1.45 H new ATOM 581 N THR A 127 17.680 18.526 -10.609 1.00 1.09 N ATOM 582 CA THR A 127 18.192 19.518 -11.596 1.00 1.21 C ATOM 583 C THR A 127 17.537 19.293 -12.961 1.00 1.29 C ATOM 584 O THR A 127 17.993 18.497 -13.758 1.00 1.60 O ATOM 585 CB THR A 127 19.697 19.257 -11.674 1.00 1.57 C ATOM 586 OG1 THR A 127 19.923 17.962 -12.215 1.00 1.91 O ATOM 587 CG2 THR A 127 20.306 19.345 -10.273 1.00 2.18 C ATOM 0 H THR A 127 18.024 17.574 -10.731 1.00 1.09 H new ATOM 0 HA THR A 127 17.970 20.544 -11.303 1.00 1.21 H new ATOM 0 HB THR A 127 20.164 20.004 -12.315 1.00 1.57 H new ATOM 0 HG1 THR A 127 19.379 17.845 -13.022 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.378 19.159 -10.330 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.132 20.340 -9.862 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.842 18.599 -9.627 1.00 2.18 H new ATOM 595 N ILE A 128 16.473 19.995 -13.239 1.00 1.08 N ATOM 596 CA ILE A 128 15.791 19.828 -14.555 1.00 1.20 C ATOM 597 C ILE A 128 15.394 21.195 -15.120 1.00 1.18 C ATOM 598 O ILE A 128 15.462 22.201 -14.442 1.00 1.15 O ATOM 599 CB ILE A 128 14.552 18.971 -14.270 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.449 19.832 -13.638 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.923 17.827 -13.321 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.869 20.273 -12.234 1.00 2.03 C ATOM 0 H ILE A 128 16.046 20.677 -12.612 1.00 1.08 H new ATOM 0 HA ILE A 128 16.437 19.356 -15.295 1.00 1.20 H new ATOM 0 HB ILE A 128 14.183 18.557 -15.208 1.00 1.12 H new ATOM 0 HG12 ILE A 128 13.257 20.706 -14.260 1.00 1.32 H new ATOM 0 HG13 ILE A 128 12.519 19.266 -13.587 1.00 1.32 H new ATOM 0 HG21 ILE A 128 14.040 17.220 -13.120 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.693 17.207 -13.781 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.300 18.239 -12.385 1.00 1.62 H new ATOM 0 HD11 ILE A 128 13.081 20.883 -11.793 1.00 2.03 H new ATOM 0 HD12 ILE A 128 14.038 19.394 -11.612 1.00 2.03 H new ATOM 0 HD13 ILE A 128 14.788 20.856 -12.295 1.00 2.03 H new ATOM 614 N THR A 129 14.979 21.240 -16.356 1.00 1.34 N ATOM 615 CA THR A 129 14.577 22.544 -16.958 1.00 1.42 C ATOM 616 C THR A 129 13.319 23.077 -16.267 1.00 1.16 C ATOM 617 O THR A 129 12.828 22.499 -15.318 1.00 0.97 O ATOM 618 CB THR A 129 14.291 22.230 -18.428 1.00 1.64 C ATOM 619 OG1 THR A 129 13.297 21.216 -18.513 1.00 2.23 O ATOM 620 CG2 THR A 129 15.574 21.747 -19.108 1.00 2.28 C ATOM 0 H THR A 129 14.901 20.433 -16.974 1.00 1.34 H new ATOM 0 HA THR A 129 15.348 23.307 -16.848 1.00 1.42 H new ATOM 0 HB THR A 129 13.934 23.131 -18.927 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.113 21.016 -19.455 1.00 2.23 H new ATOM 0 HG21 THR A 129 15.369 21.524 -20.155 1.00 2.28 H new ATOM 0 HG22 THR A 129 16.334 22.525 -19.045 1.00 2.28 H new ATOM 0 HG23 THR A 129 15.934 20.847 -18.609 1.00 2.28 H new ATOM 628 N GLU A 130 12.791 24.175 -16.736 1.00 1.31 N ATOM 629 CA GLU A 130 11.564 24.740 -16.105 1.00 1.28 C ATOM 630 C GLU A 130 10.316 24.090 -16.706 1.00 1.16 C ATOM 631 O GLU A 130 9.234 24.177 -16.159 1.00 1.21 O ATOM 632 CB GLU A 130 11.600 26.233 -16.430 1.00 1.69 C ATOM 633 CG GLU A 130 10.260 26.869 -16.051 1.00 2.05 C ATOM 634 CD GLU A 130 10.308 28.371 -16.332 1.00 2.43 C ATOM 635 OE1 GLU A 130 9.967 28.758 -17.438 1.00 2.70 O ATOM 636 OE2 GLU A 130 10.683 29.110 -15.436 1.00 3.03 O ATOM 0 H GLU A 130 13.156 24.705 -17.528 1.00 1.31 H new ATOM 0 HA GLU A 130 11.532 24.559 -15.031 1.00 1.28 H new ATOM 0 HB2 GLU A 130 12.411 26.716 -15.885 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.798 26.381 -17.492 1.00 1.69 H new ATOM 0 HG2 GLU A 130 9.453 26.408 -16.620 1.00 2.05 H new ATOM 0 HG3 GLU A 130 10.047 26.693 -14.997 1.00 2.05 H new ATOM 643 N ASP A 131 10.457 23.438 -17.827 1.00 1.18 N ATOM 644 CA ASP A 131 9.277 22.782 -18.460 1.00 1.19 C ATOM 645 C ASP A 131 8.993 21.441 -17.777 1.00 1.07 C ATOM 646 O ASP A 131 7.955 20.842 -17.972 1.00 1.14 O ATOM 647 CB ASP A 131 9.677 22.568 -19.921 1.00 1.44 C ATOM 648 CG ASP A 131 8.495 21.979 -20.693 1.00 1.48 C ATOM 649 OD1 ASP A 131 7.461 22.624 -20.736 1.00 1.91 O ATOM 650 OD2 ASP A 131 8.644 20.892 -21.227 1.00 2.07 O ATOM 0 H ASP A 131 11.337 23.331 -18.332 1.00 1.18 H new ATOM 0 HA ASP A 131 8.372 23.383 -18.372 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.982 23.514 -20.368 1.00 1.44 H new ATOM 0 HB3 ASP A 131 10.534 21.897 -19.980 1.00 1.44 H new ATOM 655 N ASP A 132 9.910 20.968 -16.976 1.00 1.00 N ATOM 656 CA ASP A 132 9.694 19.667 -16.279 1.00 1.03 C ATOM 657 C ASP A 132 8.961 19.893 -14.954 1.00 0.88 C ATOM 658 O ASP A 132 8.317 19.005 -14.430 1.00 1.03 O ATOM 659 CB ASP A 132 11.099 19.116 -16.029 1.00 1.13 C ATOM 660 CG ASP A 132 11.221 17.726 -16.656 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.206 17.060 -16.775 1.00 1.99 O ATOM 662 OD2 ASP A 132 12.328 17.351 -17.006 1.00 1.79 O ATOM 0 H ASP A 132 10.799 21.426 -16.774 1.00 1.00 H new ATOM 0 HA ASP A 132 9.084 18.979 -16.865 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.845 19.786 -16.456 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.295 19.062 -14.958 1.00 1.13 H new ATOM 667 N ILE A 133 9.053 21.074 -14.407 1.00 0.75 N ATOM 668 CA ILE A 133 8.361 21.355 -13.116 1.00 0.77 C ATOM 669 C ILE A 133 6.842 21.260 -13.298 1.00 0.70 C ATOM 670 O ILE A 133 6.132 20.792 -12.431 1.00 0.82 O ATOM 671 CB ILE A 133 8.768 22.782 -12.751 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.293 22.865 -12.635 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.133 23.167 -11.414 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.751 22.159 -11.356 1.00 1.00 C ATOM 0 H ILE A 133 9.577 21.857 -14.798 1.00 0.75 H new ATOM 0 HA ILE A 133 8.633 20.642 -12.338 1.00 0.77 H new ATOM 0 HB ILE A 133 8.425 23.467 -13.527 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.759 22.402 -13.505 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.610 23.908 -12.620 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.423 24.185 -11.153 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.048 23.109 -11.496 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.475 22.482 -10.638 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.836 22.219 -11.276 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.296 22.642 -10.491 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.447 21.113 -11.389 1.00 1.00 H new ATOM 686 N GLU A 134 6.341 21.703 -14.418 1.00 0.61 N ATOM 687 CA GLU A 134 4.869 21.641 -14.654 1.00 0.64 C ATOM 688 C GLU A 134 4.416 20.186 -14.806 1.00 0.64 C ATOM 689 O GLU A 134 3.281 19.849 -14.533 1.00 0.76 O ATOM 690 CB GLU A 134 4.645 22.411 -15.955 1.00 0.73 C ATOM 691 CG GLU A 134 5.059 23.871 -15.762 1.00 0.89 C ATOM 692 CD GLU A 134 4.856 24.637 -17.070 1.00 1.21 C ATOM 693 OE1 GLU A 134 4.668 23.991 -18.088 1.00 1.86 O ATOM 694 OE2 GLU A 134 4.891 25.856 -17.032 1.00 1.87 O ATOM 0 H GLU A 134 6.886 22.105 -15.180 1.00 0.61 H new ATOM 0 HA GLU A 134 4.300 22.064 -13.826 1.00 0.64 H new ATOM 0 HB2 GLU A 134 5.225 21.961 -16.761 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.596 22.355 -16.247 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.468 24.325 -14.967 1.00 0.89 H new ATOM 0 HG3 GLU A 134 6.103 23.926 -15.454 1.00 0.89 H new ATOM 701 N GLU A 135 5.292 19.322 -15.238 1.00 0.59 N ATOM 702 CA GLU A 135 4.908 17.891 -15.406 1.00 0.67 C ATOM 703 C GLU A 135 4.595 17.267 -14.043 1.00 0.74 C ATOM 704 O GLU A 135 3.657 16.508 -13.898 1.00 0.91 O ATOM 705 CB GLU A 135 6.131 17.223 -16.036 1.00 0.72 C ATOM 706 CG GLU A 135 5.730 15.865 -16.616 1.00 1.16 C ATOM 707 CD GLU A 135 5.692 14.823 -15.496 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.682 14.700 -14.794 1.00 2.29 O ATOM 709 OE2 GLU A 135 4.674 14.165 -15.361 1.00 2.03 O ATOM 0 H GLU A 135 6.257 19.544 -15.482 1.00 0.59 H new ATOM 0 HA GLU A 135 4.017 17.770 -16.023 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.542 17.858 -16.821 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.914 17.094 -15.288 1.00 0.72 H new ATOM 0 HG2 GLU A 135 4.753 15.936 -17.094 1.00 1.16 H new ATOM 0 HG3 GLU A 135 6.440 15.562 -17.385 1.00 1.16 H new ATOM 716 N LEU A 136 5.373 17.580 -13.043 1.00 0.73 N ATOM 717 CA LEU A 136 5.118 17.004 -11.692 1.00 0.87 C ATOM 718 C LEU A 136 3.735 17.428 -11.190 1.00 0.81 C ATOM 719 O LEU A 136 3.076 16.702 -10.473 1.00 1.00 O ATOM 720 CB LEU A 136 6.215 17.586 -10.799 1.00 0.99 C ATOM 721 CG LEU A 136 7.535 16.866 -11.078 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.632 17.897 -11.350 1.00 1.74 C ATOM 723 CD2 LEU A 136 7.922 16.021 -9.862 1.00 1.75 C ATOM 0 H LEU A 136 6.174 18.209 -13.103 1.00 0.73 H new ATOM 0 HA LEU A 136 5.134 15.914 -11.698 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.324 18.654 -10.988 1.00 0.99 H new ATOM 0 HB3 LEU A 136 5.942 17.474 -9.750 1.00 0.99 H new ATOM 0 HG LEU A 136 7.419 16.220 -11.949 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.573 17.384 -11.549 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.358 18.500 -12.216 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.748 18.543 -10.480 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.863 15.508 -10.060 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.038 16.667 -8.992 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.141 15.286 -9.667 1.00 1.75 H new ATOM 735 N MET A 137 3.289 18.596 -11.564 1.00 0.67 N ATOM 736 CA MET A 137 1.947 19.058 -11.109 1.00 0.71 C ATOM 737 C MET A 137 0.869 18.089 -11.597 1.00 0.68 C ATOM 738 O MET A 137 -0.058 17.763 -10.883 1.00 0.70 O ATOM 739 CB MET A 137 1.762 20.435 -11.749 1.00 0.82 C ATOM 740 CG MET A 137 1.490 21.471 -10.657 1.00 0.99 C ATOM 741 SD MET A 137 0.043 20.966 -9.694 1.00 0.94 S ATOM 742 CE MET A 137 0.557 21.685 -8.115 1.00 0.53 C ATOM 0 H MET A 137 3.794 19.249 -12.163 1.00 0.67 H new ATOM 0 HA MET A 137 1.869 19.103 -10.023 1.00 0.71 H new ATOM 0 HB2 MET A 137 2.654 20.709 -12.312 1.00 0.82 H new ATOM 0 HB3 MET A 137 0.934 20.411 -12.457 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.359 21.565 -10.006 1.00 0.99 H new ATOM 0 HG3 MET A 137 1.319 22.450 -11.104 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.533 20.918 -7.341 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.570 22.077 -8.206 1.00 0.53 H new ATOM 0 HE3 MET A 137 -0.122 22.494 -7.845 1.00 0.53 H new ATOM 752 N LYS A 138 0.987 17.621 -12.810 1.00 0.76 N ATOM 753 CA LYS A 138 -0.025 16.667 -13.345 1.00 0.82 C ATOM 754 C LYS A 138 -0.100 15.429 -12.450 1.00 0.72 C ATOM 755 O LYS A 138 -1.090 15.187 -11.789 1.00 0.84 O ATOM 756 CB LYS A 138 0.484 16.293 -14.737 1.00 0.99 C ATOM 757 CG LYS A 138 0.064 17.368 -15.740 1.00 1.57 C ATOM 758 CD LYS A 138 -0.573 16.704 -16.962 1.00 2.09 C ATOM 759 CE LYS A 138 -2.013 17.197 -17.119 1.00 2.74 C ATOM 760 NZ LYS A 138 -2.791 16.441 -16.099 1.00 3.43 N ATOM 0 H LYS A 138 1.742 17.859 -13.454 1.00 0.76 H new ATOM 0 HA LYS A 138 -1.026 17.097 -13.380 1.00 0.82 H new ATOM 0 HB2 LYS A 138 1.570 16.196 -14.725 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.081 15.325 -15.035 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -0.643 18.056 -15.277 1.00 1.57 H new ATOM 0 HG3 LYS A 138 0.930 17.956 -16.043 1.00 1.57 H new ATOM 0 HD2 LYS A 138 0.002 16.938 -17.858 1.00 2.09 H new ATOM 0 HD3 LYS A 138 -0.559 15.620 -16.849 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -2.083 18.272 -16.952 1.00 2.74 H new ATOM 0 HE3 LYS A 138 -2.389 17.005 -18.124 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -3.572 15.934 -16.563 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 -2.168 15.757 -15.624 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -3.177 17.103 -15.396 1.00 3.43 H new ATOM 774 N ASP A 139 0.944 14.646 -12.420 1.00 0.75 N ATOM 775 CA ASP A 139 0.935 13.428 -11.562 1.00 0.78 C ATOM 776 C ASP A 139 0.681 13.821 -10.105 1.00 0.70 C ATOM 777 O ASP A 139 -0.193 13.288 -9.450 1.00 0.81 O ATOM 778 CB ASP A 139 2.330 12.821 -11.719 1.00 0.97 C ATOM 779 CG ASP A 139 2.433 12.123 -13.077 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.894 11.036 -13.204 1.00 1.66 O ATOM 781 OD2 ASP A 139 3.049 12.687 -13.966 1.00 1.69 O ATOM 0 H ASP A 139 1.801 14.797 -12.952 1.00 0.75 H new ATOM 0 HA ASP A 139 0.153 12.724 -11.846 1.00 0.78 H new ATOM 0 HB2 ASP A 139 3.088 13.600 -11.640 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.521 12.108 -10.917 1.00 0.97 H new ATOM 786 N GLY A 140 1.436 14.757 -9.596 1.00 0.64 N ATOM 787 CA GLY A 140 1.235 15.190 -8.184 1.00 0.62 C ATOM 788 C GLY A 140 -0.212 15.645 -7.997 1.00 0.57 C ATOM 789 O GLY A 140 -0.774 15.540 -6.925 1.00 0.65 O ATOM 0 H GLY A 140 2.182 15.240 -10.096 1.00 0.64 H new ATOM 0 HA2 GLY A 140 1.461 14.369 -7.504 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.919 16.003 -7.940 1.00 0.62 H new ATOM 793 N ASP A 141 -0.819 16.149 -9.036 1.00 0.56 N ATOM 794 CA ASP A 141 -2.231 16.611 -8.926 1.00 0.56 C ATOM 795 C ASP A 141 -2.917 16.530 -10.291 1.00 0.58 C ATOM 796 O ASP A 141 -2.968 17.493 -11.030 1.00 0.64 O ATOM 797 CB ASP A 141 -2.138 18.063 -8.456 1.00 0.60 C ATOM 798 CG ASP A 141 -2.618 18.163 -7.007 1.00 0.75 C ATOM 799 OD1 ASP A 141 -2.455 17.195 -6.281 1.00 1.23 O ATOM 800 OD2 ASP A 141 -3.140 19.205 -6.647 1.00 1.14 O ATOM 0 H ASP A 141 -0.397 16.261 -9.958 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.815 15.999 -8.239 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.110 18.417 -8.535 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -2.745 18.703 -9.096 1.00 0.60 H new ATOM 805 N LYS A 142 -3.447 15.386 -10.631 1.00 0.62 N ATOM 806 CA LYS A 142 -4.130 15.243 -11.949 1.00 0.70 C ATOM 807 C LYS A 142 -5.315 16.209 -12.036 1.00 0.79 C ATOM 808 O LYS A 142 -5.872 16.430 -13.093 1.00 0.92 O ATOM 809 CB LYS A 142 -4.609 13.791 -11.992 1.00 0.79 C ATOM 810 CG LYS A 142 -3.770 13.011 -13.008 1.00 0.88 C ATOM 811 CD LYS A 142 -4.371 11.620 -13.212 1.00 1.37 C ATOM 812 CE LYS A 142 -3.631 10.906 -14.346 1.00 1.79 C ATOM 813 NZ LYS A 142 -4.577 9.861 -14.825 1.00 2.44 N ATOM 0 H LYS A 142 -3.437 14.545 -10.054 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.471 15.476 -12.786 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.520 13.337 -11.005 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.663 13.752 -12.267 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.739 13.547 -13.957 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.742 12.926 -12.656 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.295 11.041 -12.292 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -5.432 11.702 -13.450 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -3.371 11.599 -15.146 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -2.700 10.463 -13.992 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -4.140 9.328 -15.604 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -4.801 9.212 -14.044 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -5.451 10.312 -15.162 1.00 2.44 H new ATOM 827 N ASN A 143 -5.699 16.792 -10.933 1.00 0.80 N ATOM 828 CA ASN A 143 -6.841 17.752 -10.953 1.00 0.95 C ATOM 829 C ASN A 143 -6.321 19.185 -10.803 1.00 0.92 C ATOM 830 O ASN A 143 -7.024 20.070 -10.357 1.00 1.08 O ATOM 831 CB ASN A 143 -7.724 17.368 -9.762 1.00 1.07 C ATOM 832 CG ASN A 143 -6.854 17.082 -8.536 1.00 1.36 C ATOM 833 OD1 ASN A 143 -6.424 15.965 -8.330 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.573 18.051 -7.707 1.00 1.70 N ATOM 0 H ASN A 143 -5.272 16.645 -10.019 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.397 17.708 -11.889 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -8.423 18.175 -9.542 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.319 16.489 -10.009 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -5.993 17.869 -6.888 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.933 18.990 -7.879 1.00 1.70 H new ATOM 841 N ASN A 144 -5.091 19.418 -11.176 1.00 0.86 N ATOM 842 CA ASN A 144 -4.519 20.790 -11.061 1.00 0.93 C ATOM 843 C ASN A 144 -4.837 21.391 -9.688 1.00 1.03 C ATOM 844 O ASN A 144 -4.115 21.188 -8.732 1.00 1.71 O ATOM 845 CB ASN A 144 -5.194 21.594 -12.173 1.00 1.08 C ATOM 846 CG ASN A 144 -4.408 21.424 -13.475 1.00 1.49 C ATOM 847 OD1 ASN A 144 -3.920 20.252 -13.780 1.00 2.18 O flip ATOM 848 ND2 ASN A 144 -4.236 22.366 -14.221 1.00 1.97 N flip ATOM 0 H ASN A 144 -4.457 18.715 -11.556 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.433 20.792 -11.158 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -6.221 21.255 -12.309 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -5.239 22.648 -11.898 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -4.617 23.282 -13.983 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -3.710 22.242 -15.086 1.00 1.97 H new ATOM 855 N ASP A 145 -5.908 22.132 -9.579 1.00 0.88 N ATOM 856 CA ASP A 145 -6.264 22.746 -8.264 1.00 0.92 C ATOM 857 C ASP A 145 -5.252 23.835 -7.893 1.00 0.91 C ATOM 858 O ASP A 145 -5.609 24.974 -7.662 1.00 1.07 O ATOM 859 CB ASP A 145 -6.208 21.597 -7.256 1.00 0.93 C ATOM 860 CG ASP A 145 -7.468 21.618 -6.389 1.00 1.40 C ATOM 861 OD1 ASP A 145 -7.935 22.702 -6.083 1.00 1.89 O ATOM 862 OD2 ASP A 145 -7.945 20.549 -6.045 1.00 2.06 O ATOM 0 H ASP A 145 -6.552 22.339 -10.343 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.245 23.220 -8.286 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.129 20.644 -7.779 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -5.321 21.691 -6.630 1.00 0.93 H new ATOM 867 N GLY A 146 -3.991 23.497 -7.834 1.00 0.84 N ATOM 868 CA GLY A 146 -2.962 24.514 -7.478 1.00 0.92 C ATOM 869 C GLY A 146 -2.354 24.177 -6.115 1.00 0.66 C ATOM 870 O GLY A 146 -1.404 24.796 -5.678 1.00 0.74 O ATOM 0 H GLY A 146 -3.630 22.561 -8.017 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.182 24.538 -8.239 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.412 25.507 -7.451 1.00 0.92 H new ATOM 874 N ARG A 147 -2.889 23.197 -5.438 1.00 0.56 N ATOM 875 CA ARG A 147 -2.334 22.824 -4.105 1.00 0.54 C ATOM 876 C ARG A 147 -2.247 21.301 -3.972 1.00 0.46 C ATOM 877 O ARG A 147 -3.186 20.586 -4.263 1.00 0.45 O ATOM 878 CB ARG A 147 -3.319 23.397 -3.084 1.00 0.77 C ATOM 879 CG ARG A 147 -4.737 22.930 -3.417 1.00 1.39 C ATOM 880 CD ARG A 147 -5.649 23.174 -2.211 1.00 1.79 C ATOM 881 NE ARG A 147 -6.910 23.717 -2.787 1.00 2.55 N ATOM 882 CZ ARG A 147 -6.970 24.962 -3.179 1.00 2.87 C ATOM 883 NH1 ARG A 147 -5.924 25.736 -3.070 1.00 3.10 N ATOM 884 NH2 ARG A 147 -8.078 25.434 -3.682 1.00 3.37 N ATOM 0 H ARG A 147 -3.685 22.640 -5.749 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.326 23.213 -3.958 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -3.046 23.074 -2.080 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.273 24.486 -3.092 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -5.114 23.468 -4.287 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.732 21.871 -3.675 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -5.832 22.251 -1.661 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -5.199 23.878 -1.512 1.00 1.79 H new ATOM 0 HE ARG A 147 -7.729 23.116 -2.876 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -5.057 25.369 -2.678 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -5.974 26.707 -3.377 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -8.896 24.831 -3.769 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -8.126 26.406 -3.988 1.00 3.37 H new ATOM 898 N ILE A 148 -1.125 20.800 -3.533 1.00 0.49 N ATOM 899 CA ILE A 148 -0.975 19.325 -3.377 1.00 0.44 C ATOM 900 C ILE A 148 -1.041 18.948 -1.895 1.00 0.46 C ATOM 901 O ILE A 148 -0.284 19.445 -1.085 1.00 0.63 O ATOM 902 CB ILE A 148 0.405 19.001 -3.952 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.601 19.757 -5.269 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.510 17.497 -4.211 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.935 19.350 -5.898 1.00 0.63 C ATOM 0 H ILE A 148 -0.305 21.349 -3.275 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.765 18.772 -3.885 1.00 0.44 H new ATOM 0 HB ILE A 148 1.173 19.303 -3.240 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.218 19.536 -5.953 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.585 20.832 -5.089 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.493 17.266 -4.621 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.371 16.956 -3.275 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.259 17.196 -4.922 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.074 19.888 -6.836 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.749 19.594 -5.215 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.934 18.277 -6.092 1.00 0.63 H new ATOM 917 N ASP A 149 -1.944 18.078 -1.533 1.00 0.48 N ATOM 918 CA ASP A 149 -2.059 17.678 -0.100 1.00 0.53 C ATOM 919 C ASP A 149 -1.690 16.202 0.075 1.00 0.53 C ATOM 920 O ASP A 149 -1.406 15.505 -0.879 1.00 0.63 O ATOM 921 CB ASP A 149 -3.528 17.909 0.254 1.00 0.58 C ATOM 922 CG ASP A 149 -4.417 17.192 -0.765 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.118 16.054 -1.084 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.381 17.795 -1.208 1.00 1.65 O ATOM 0 H ASP A 149 -2.606 17.627 -2.165 1.00 0.48 H new ATOM 0 HA ASP A 149 -1.387 18.247 0.542 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -3.734 17.537 1.258 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -3.749 18.976 0.258 1.00 0.58 H new ATOM 929 N TYR A 150 -1.693 15.722 1.289 1.00 0.58 N ATOM 930 CA TYR A 150 -1.343 14.292 1.529 1.00 0.60 C ATOM 931 C TYR A 150 -2.293 13.377 0.750 1.00 0.59 C ATOM 932 O TYR A 150 -2.021 12.209 0.552 1.00 0.63 O ATOM 933 CB TYR A 150 -1.517 14.091 3.035 1.00 0.73 C ATOM 934 CG TYR A 150 -1.298 12.637 3.378 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.027 12.067 3.238 1.00 1.22 C ATOM 936 CD2 TYR A 150 -2.367 11.858 3.837 1.00 1.15 C ATOM 937 CE1 TYR A 150 0.176 10.719 3.557 1.00 1.56 C ATOM 938 CE2 TYR A 150 -2.165 10.510 4.156 1.00 1.43 C ATOM 939 CZ TYR A 150 -0.893 9.940 4.015 1.00 1.48 C ATOM 940 OH TYR A 150 -0.693 8.611 4.330 1.00 1.96 O ATOM 0 H TYR A 150 -1.923 16.258 2.126 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.332 14.052 1.200 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -0.809 14.715 3.580 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.516 14.401 3.341 1.00 0.73 H new ATOM 0 HD1 TYR A 150 0.798 12.668 2.884 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -3.348 12.297 3.945 1.00 1.15 H new ATOM 0 HE1 TYR A 150 1.157 10.280 3.450 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -2.990 9.910 4.511 1.00 1.43 H new ATOM 0 HH TYR A 150 -1.537 8.216 4.633 1.00 1.96 H new ATOM 950 N ASP A 151 -3.404 13.898 0.306 1.00 0.64 N ATOM 951 CA ASP A 151 -4.367 13.056 -0.461 1.00 0.70 C ATOM 952 C ASP A 151 -3.841 12.813 -1.878 1.00 0.63 C ATOM 953 O ASP A 151 -3.756 11.690 -2.336 1.00 0.77 O ATOM 954 CB ASP A 151 -5.660 13.871 -0.503 1.00 0.79 C ATOM 955 CG ASP A 151 -6.860 12.923 -0.559 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.887 12.086 -1.447 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.730 13.050 0.286 1.00 1.90 O ATOM 0 H ASP A 151 -3.687 14.869 0.441 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.517 12.078 -0.004 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.728 14.510 0.378 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -5.661 14.527 -1.373 1.00 0.79 H new ATOM 962 N GLU A 152 -3.486 13.857 -2.576 1.00 0.54 N ATOM 963 CA GLU A 152 -2.964 13.688 -3.962 1.00 0.56 C ATOM 964 C GLU A 152 -1.472 13.349 -3.923 1.00 0.52 C ATOM 965 O GLU A 152 -0.930 12.780 -4.850 1.00 0.65 O ATOM 966 CB GLU A 152 -3.191 15.040 -4.639 1.00 0.60 C ATOM 967 CG GLU A 152 -4.692 15.322 -4.726 1.00 0.77 C ATOM 968 CD GLU A 152 -4.947 16.812 -4.488 1.00 0.72 C ATOM 969 OE1 GLU A 152 -3.992 17.570 -4.525 1.00 1.40 O ATOM 970 OE2 GLU A 152 -6.094 17.169 -4.271 1.00 1.17 O ATOM 0 H GLU A 152 -3.535 14.821 -2.246 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.461 12.878 -4.497 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.694 15.829 -4.075 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.752 15.037 -5.637 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.071 15.029 -5.705 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.228 14.728 -3.986 1.00 0.77 H new ATOM 977 N PHE A 153 -0.805 13.696 -2.857 1.00 0.46 N ATOM 978 CA PHE A 153 0.651 13.394 -2.758 1.00 0.46 C ATOM 979 C PHE A 153 0.886 11.884 -2.861 1.00 0.50 C ATOM 980 O PHE A 153 1.957 11.436 -3.221 1.00 0.64 O ATOM 981 CB PHE A 153 1.071 13.912 -1.383 1.00 0.49 C ATOM 982 CG PHE A 153 2.561 13.737 -1.215 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.442 14.338 -2.122 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.062 12.972 -0.155 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.824 14.175 -1.969 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.444 12.809 -0.001 1.00 0.61 C ATOM 987 CZ PHE A 153 5.324 13.411 -0.908 1.00 0.68 C ATOM 0 H PHE A 153 -1.205 14.175 -2.050 1.00 0.46 H new ATOM 0 HA PHE A 153 1.225 13.859 -3.560 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.803 14.964 -1.281 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.540 13.371 -0.600 1.00 0.49 H new ATOM 0 HD1 PHE A 153 3.055 14.928 -2.940 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.382 12.507 0.544 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.504 14.638 -2.669 1.00 0.73 H new ATOM 0 HE2 PHE A 153 4.831 12.219 0.817 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.390 13.286 -0.789 1.00 0.68 H new ATOM 997 N LEU A 154 -0.107 11.095 -2.551 1.00 0.53 N ATOM 998 CA LEU A 154 0.063 9.616 -2.635 1.00 0.62 C ATOM 999 C LEU A 154 0.084 9.173 -4.101 1.00 0.65 C ATOM 1000 O LEU A 154 1.058 8.626 -4.578 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.151 9.033 -1.908 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.026 9.301 -0.406 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -2.071 8.478 0.350 1.00 1.65 C ATOM 1004 CD2 LEU A 154 0.373 8.904 0.071 1.00 1.20 C ATOM 0 H LEU A 154 -1.027 11.410 -2.244 1.00 0.53 H new ATOM 0 HA LEU A 154 0.999 9.279 -2.189 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.068 9.480 -2.293 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.218 7.961 -2.092 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.189 10.362 -0.215 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -1.981 8.670 1.419 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -3.069 8.760 0.014 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -1.909 7.418 0.156 1.00 1.65 H new ATOM 0 HD21 LEU A 154 0.461 9.095 1.140 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.536 7.844 -0.123 1.00 1.20 H new ATOM 0 HD23 LEU A 154 1.120 9.490 -0.465 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.977 9.412 -4.823 1.00 0.69 N ATOM 1017 CA GLU A 155 -0.999 9.008 -6.258 1.00 0.81 C ATOM 1018 C GLU A 155 0.300 9.452 -6.932 1.00 0.76 C ATOM 1019 O GLU A 155 0.760 8.850 -7.882 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.194 9.745 -6.864 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.490 9.230 -6.236 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.671 9.588 -7.141 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.608 9.271 -8.317 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -5.617 10.176 -6.642 1.00 2.57 O ATOM 0 H GLU A 155 -1.825 9.867 -4.484 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.085 7.929 -6.388 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.097 10.817 -6.693 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.217 9.595 -7.943 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -3.437 8.150 -6.099 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -3.628 9.670 -5.248 1.00 1.41 H new ATOM 1031 N PHE A 156 0.894 10.505 -6.440 1.00 0.66 N ATOM 1032 CA PHE A 156 2.165 11.000 -7.038 1.00 0.77 C ATOM 1033 C PHE A 156 3.258 9.938 -6.908 1.00 0.71 C ATOM 1034 O PHE A 156 4.015 9.696 -7.827 1.00 0.88 O ATOM 1035 CB PHE A 156 2.522 12.238 -6.216 1.00 0.84 C ATOM 1036 CG PHE A 156 3.844 12.797 -6.685 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.994 13.229 -8.008 1.00 1.09 C ATOM 1038 CD2 PHE A 156 4.919 12.886 -5.793 1.00 1.49 C ATOM 1039 CE1 PHE A 156 5.220 13.750 -8.439 1.00 1.31 C ATOM 1040 CE2 PHE A 156 6.145 13.407 -6.224 1.00 1.72 C ATOM 1041 CZ PHE A 156 6.295 13.839 -7.547 1.00 1.53 C ATOM 0 H PHE A 156 0.551 11.046 -5.646 1.00 0.66 H new ATOM 0 HA PHE A 156 2.067 11.225 -8.100 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.741 12.992 -6.318 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.580 11.980 -5.159 1.00 0.84 H new ATOM 0 HD1 PHE A 156 3.164 13.160 -8.696 1.00 1.09 H new ATOM 0 HD2 PHE A 156 4.803 12.553 -4.772 1.00 1.49 H new ATOM 0 HE1 PHE A 156 5.336 14.083 -9.460 1.00 1.31 H new ATOM 0 HE2 PHE A 156 6.975 13.476 -5.536 1.00 1.72 H new ATOM 0 HZ PHE A 156 7.241 14.241 -7.880 1.00 1.53 H new ATOM 1051 N MET A 157 3.345 9.301 -5.773 1.00 0.61 N ATOM 1052 CA MET A 157 4.388 8.255 -5.585 1.00 0.69 C ATOM 1053 C MET A 157 4.132 7.082 -6.534 1.00 0.83 C ATOM 1054 O MET A 157 4.939 6.775 -7.389 1.00 1.17 O ATOM 1055 CB MET A 157 4.244 7.809 -4.130 1.00 0.84 C ATOM 1056 CG MET A 157 4.694 8.939 -3.202 1.00 0.92 C ATOM 1057 SD MET A 157 5.980 8.327 -2.086 1.00 1.56 S ATOM 1058 CE MET A 157 7.298 9.443 -2.624 1.00 0.90 C ATOM 0 H MET A 157 2.739 9.460 -4.968 1.00 0.61 H new ATOM 0 HA MET A 157 5.390 8.626 -5.799 1.00 0.69 H new ATOM 0 HB2 MET A 157 3.208 7.544 -3.921 1.00 0.84 H new ATOM 0 HB3 MET A 157 4.844 6.917 -3.951 1.00 0.84 H new ATOM 0 HG2 MET A 157 5.074 9.776 -3.788 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.846 9.312 -2.627 1.00 0.92 H new ATOM 0 HE1 MET A 157 8.204 9.237 -2.055 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.494 9.290 -3.685 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.991 10.476 -2.457 1.00 0.90 H new ATOM 1068 N LYS A 158 3.014 6.425 -6.391 1.00 0.86 N ATOM 1069 CA LYS A 158 2.705 5.273 -7.287 1.00 1.07 C ATOM 1070 C LYS A 158 3.843 4.248 -7.247 1.00 1.36 C ATOM 1071 O LYS A 158 3.960 3.403 -8.112 1.00 1.73 O ATOM 1072 CB LYS A 158 2.581 5.883 -8.685 1.00 1.28 C ATOM 1073 CG LYS A 158 1.205 5.553 -9.266 1.00 1.66 C ATOM 1074 CD LYS A 158 1.341 4.430 -10.297 1.00 2.24 C ATOM 1075 CE LYS A 158 0.752 3.138 -9.726 1.00 2.85 C ATOM 1076 NZ LYS A 158 -0.044 2.552 -10.841 1.00 3.52 N ATOM 0 H LYS A 158 2.301 6.635 -5.693 1.00 0.86 H new ATOM 0 HA LYS A 158 1.797 4.749 -6.987 1.00 1.07 H new ATOM 0 HB2 LYS A 158 2.717 6.963 -8.635 1.00 1.28 H new ATOM 0 HB3 LYS A 158 3.365 5.493 -9.334 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.526 5.249 -8.469 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.774 6.439 -9.732 1.00 1.66 H new ATOM 0 HD2 LYS A 158 0.824 4.702 -11.217 1.00 2.24 H new ATOM 0 HD3 LYS A 158 2.390 4.282 -10.553 1.00 2.24 H new ATOM 0 HE2 LYS A 158 1.538 2.456 -9.401 1.00 2.85 H new ATOM 0 HE3 LYS A 158 0.125 3.340 -8.857 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -0.480 1.662 -10.526 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -0.788 3.221 -11.125 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 0.580 2.364 -11.652 1.00 3.52 H new