USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 495 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 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 153:sc= -0.113 (180deg=-0.738) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= 0.102 X(o=0.1,f=-0.39) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -150:sc= 1.5 (180deg=-0.326) USER MOD Single : A 120 MET CE :methyl -114:sc= -1.3 (180deg=-5.7!) USER MOD Single : A 122 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.038) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0.00167 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.417 USER MOD Single : A 137 MET CE :methyl 172:sc= -1.73 (180deg=-2.12) USER MOD Single : A 138 LYS NZ :NH3+ 176:sc= 0.284 (180deg=0.278) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 1.09 (180deg=1.09) USER MOD Single : A 143 ASN : amide:sc= -0.0858 X(o=-0.086,f=-0.067) USER MOD Single : A 144 ASN : amide:sc= -0.0175 K(o=-0.018,f=-2.7!) USER MOD Single : A 150 TYR OH : rot -32:sc= 0.15 USER MOD Single : A 157 MET CE :methyl -106:sc= -3.59! (180deg=-6.69!) USER MOD Single : A 158 LYS NZ :NH3+ 175:sc= 1.51 (180deg=1.31) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU A 94 1.550 5.091 6.263 1.00 1.26 N ATOM 61 CA GLU A 94 1.339 6.434 6.899 1.00 1.17 C ATOM 62 C GLU A 94 2.511 6.808 7.821 1.00 1.12 C ATOM 63 O GLU A 94 2.817 7.972 7.999 1.00 1.09 O ATOM 64 CB GLU A 94 0.045 6.292 7.698 1.00 1.33 C ATOM 65 CG GLU A 94 -1.146 6.487 6.756 1.00 1.28 C ATOM 66 CD GLU A 94 -1.779 7.857 7.006 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.313 8.820 6.420 1.00 2.09 O ATOM 68 OE2 GLU A 94 -2.710 7.923 7.788 1.00 1.94 O ATOM 0 HA GLU A 94 1.280 7.227 6.154 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.002 5.309 8.166 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.015 7.029 8.500 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.819 6.410 5.719 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -1.883 5.700 6.917 1.00 1.28 H new ATOM 75 N GLU A 95 3.173 5.829 8.395 1.00 1.19 N ATOM 76 CA GLU A 95 4.335 6.117 9.297 1.00 1.23 C ATOM 77 C GLU A 95 5.356 7.007 8.572 1.00 1.03 C ATOM 78 O GLU A 95 5.794 8.015 9.093 1.00 1.01 O ATOM 79 CB GLU A 95 4.947 4.745 9.612 1.00 1.45 C ATOM 80 CG GLU A 95 3.956 3.907 10.431 1.00 1.90 C ATOM 81 CD GLU A 95 3.319 2.839 9.536 1.00 2.12 C ATOM 82 OE1 GLU A 95 3.935 1.803 9.351 1.00 2.66 O ATOM 83 OE2 GLU A 95 2.230 3.081 9.045 1.00 2.49 O ATOM 0 H GLU A 95 2.957 4.839 8.277 1.00 1.19 H new ATOM 0 HA GLU A 95 4.035 6.645 10.202 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.196 4.227 8.686 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.877 4.870 10.167 1.00 1.45 H new ATOM 0 HG2 GLU A 95 4.470 3.434 11.268 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.183 4.550 10.853 1.00 1.90 H new ATOM 90 N GLU A 96 5.728 6.641 7.369 1.00 1.02 N ATOM 91 CA GLU A 96 6.714 7.462 6.597 1.00 0.94 C ATOM 92 C GLU A 96 5.989 8.471 5.692 1.00 0.79 C ATOM 93 O GLU A 96 6.510 9.531 5.399 1.00 0.82 O ATOM 94 CB GLU A 96 7.495 6.457 5.747 1.00 1.15 C ATOM 95 CG GLU A 96 8.402 5.611 6.648 1.00 1.62 C ATOM 96 CD GLU A 96 8.455 4.177 6.119 1.00 1.99 C ATOM 97 OE1 GLU A 96 9.205 3.939 5.186 1.00 2.78 O ATOM 98 OE2 GLU A 96 7.746 3.342 6.654 1.00 2.18 O ATOM 0 H GLU A 96 5.391 5.808 6.887 1.00 1.02 H new ATOM 0 HA GLU A 96 7.364 8.037 7.256 1.00 0.94 H new ATOM 0 HB2 GLU A 96 6.805 5.813 5.203 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.094 6.983 5.003 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.405 6.037 6.675 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.025 5.619 7.671 1.00 1.62 H new ATOM 105 N LEU A 97 4.794 8.148 5.246 1.00 0.77 N ATOM 106 CA LEU A 97 4.036 9.087 4.357 1.00 0.71 C ATOM 107 C LEU A 97 3.864 10.449 5.043 1.00 0.67 C ATOM 108 O LEU A 97 4.093 11.483 4.444 1.00 0.75 O ATOM 109 CB LEU A 97 2.668 8.422 4.133 1.00 0.80 C ATOM 110 CG LEU A 97 2.622 7.707 2.773 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.258 8.583 1.688 1.00 1.40 C ATOM 112 CD2 LEU A 97 3.368 6.370 2.869 1.00 1.22 C ATOM 0 H LEU A 97 4.313 7.275 5.460 1.00 0.77 H new ATOM 0 HA LEU A 97 4.557 9.267 3.417 1.00 0.71 H new ATOM 0 HB2 LEU A 97 2.472 7.706 4.931 1.00 0.80 H new ATOM 0 HB3 LEU A 97 1.881 9.175 4.179 1.00 0.80 H new ATOM 0 HG LEU A 97 1.582 7.522 2.506 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.218 8.063 0.731 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.712 9.523 1.613 1.00 1.40 H new ATOM 0 HD13 LEU A 97 4.297 8.786 1.947 1.00 1.40 H new ATOM 0 HD21 LEU A 97 3.334 5.864 1.904 1.00 1.22 H new ATOM 0 HD22 LEU A 97 4.406 6.552 3.147 1.00 1.22 H new ATOM 0 HD23 LEU A 97 2.894 5.742 3.624 1.00 1.22 H new ATOM 124 N SER A 98 3.472 10.456 6.294 1.00 0.69 N ATOM 125 CA SER A 98 3.296 11.754 7.018 1.00 0.76 C ATOM 126 C SER A 98 4.619 12.532 7.041 1.00 0.72 C ATOM 127 O SER A 98 4.653 13.715 6.761 1.00 0.77 O ATOM 128 CB SER A 98 2.875 11.372 8.439 1.00 0.92 C ATOM 129 OG SER A 98 2.271 12.495 9.072 1.00 1.57 O ATOM 0 H SER A 98 3.267 9.622 6.844 1.00 0.69 H new ATOM 0 HA SER A 98 2.557 12.394 6.536 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.175 10.537 8.410 1.00 0.92 H new ATOM 0 HB3 SER A 98 3.742 11.042 9.011 1.00 0.92 H new ATOM 0 HG SER A 98 1.999 12.251 9.981 1.00 1.57 H new ATOM 135 N ASP A 99 5.706 11.871 7.364 1.00 0.80 N ATOM 136 CA ASP A 99 7.036 12.562 7.403 1.00 0.86 C ATOM 137 C ASP A 99 7.411 13.088 6.010 1.00 0.81 C ATOM 138 O ASP A 99 7.796 14.232 5.856 1.00 0.91 O ATOM 139 CB ASP A 99 8.034 11.488 7.857 1.00 1.02 C ATOM 140 CG ASP A 99 7.931 11.284 9.370 1.00 1.23 C ATOM 141 OD1 ASP A 99 6.943 10.720 9.806 1.00 1.83 O ATOM 142 OD2 ASP A 99 8.845 11.692 10.065 1.00 1.79 O ATOM 0 H ASP A 99 5.730 10.880 7.603 1.00 0.80 H new ATOM 0 HA ASP A 99 7.028 13.422 8.073 1.00 0.86 H new ATOM 0 HB2 ASP A 99 7.831 10.550 7.341 1.00 1.02 H new ATOM 0 HB3 ASP A 99 9.048 11.786 7.590 1.00 1.02 H new ATOM 147 N LEU A 100 7.296 12.258 5.000 1.00 0.75 N ATOM 148 CA LEU A 100 7.640 12.694 3.606 1.00 0.76 C ATOM 149 C LEU A 100 6.764 13.886 3.168 1.00 0.68 C ATOM 150 O LEU A 100 7.144 14.652 2.302 1.00 0.79 O ATOM 151 CB LEU A 100 7.363 11.459 2.733 1.00 0.86 C ATOM 152 CG LEU A 100 8.288 11.455 1.510 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.429 10.457 1.732 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.488 11.039 0.273 1.00 1.41 C ATOM 0 H LEU A 100 6.977 11.292 5.081 1.00 0.75 H new ATOM 0 HA LEU A 100 8.673 13.033 3.524 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.516 10.551 3.316 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.322 11.459 2.410 1.00 0.86 H new ATOM 0 HG LEU A 100 8.701 12.453 1.364 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.085 10.455 0.862 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.998 10.746 2.616 1.00 1.41 H new ATOM 0 HD13 LEU A 100 9.016 9.459 1.877 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.142 11.035 -0.599 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.078 10.040 0.424 1.00 1.41 H new ATOM 0 HD23 LEU A 100 6.673 11.745 0.112 1.00 1.41 H new ATOM 166 N PHE A 101 5.597 14.042 3.756 1.00 0.60 N ATOM 167 CA PHE A 101 4.692 15.180 3.379 1.00 0.59 C ATOM 168 C PHE A 101 4.906 16.395 4.302 1.00 0.60 C ATOM 169 O PHE A 101 5.245 17.473 3.847 1.00 0.72 O ATOM 170 CB PHE A 101 3.271 14.630 3.546 1.00 0.61 C ATOM 171 CG PHE A 101 2.250 15.642 3.060 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.027 16.829 3.774 1.00 0.68 C ATOM 173 CD2 PHE A 101 1.514 15.382 1.898 1.00 0.86 C ATOM 174 CE1 PHE A 101 1.073 17.749 3.324 1.00 0.73 C ATOM 175 CE2 PHE A 101 0.558 16.301 1.453 1.00 0.90 C ATOM 176 CZ PHE A 101 0.339 17.485 2.164 1.00 0.69 C ATOM 0 H PHE A 101 5.232 13.427 4.483 1.00 0.60 H new ATOM 0 HA PHE A 101 4.888 15.527 2.364 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.166 13.701 2.986 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.087 14.393 4.594 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.592 17.033 4.672 1.00 0.68 H new ATOM 0 HD2 PHE A 101 1.685 14.471 1.344 1.00 0.86 H new ATOM 0 HE1 PHE A 101 0.904 18.663 3.873 1.00 0.73 H new ATOM 0 HE2 PHE A 101 -0.012 16.096 0.559 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.397 18.195 1.817 1.00 0.69 H new ATOM 186 N ARG A 102 4.676 16.233 5.589 1.00 0.67 N ATOM 187 CA ARG A 102 4.827 17.383 6.547 1.00 0.76 C ATOM 188 C ARG A 102 6.249 17.967 6.521 1.00 0.68 C ATOM 189 O ARG A 102 6.430 19.157 6.692 1.00 0.78 O ATOM 190 CB ARG A 102 4.484 16.812 7.936 1.00 0.99 C ATOM 191 CG ARG A 102 5.634 15.946 8.467 1.00 1.30 C ATOM 192 CD ARG A 102 5.110 15.013 9.565 1.00 1.45 C ATOM 193 NE ARG A 102 6.086 15.156 10.686 1.00 2.12 N ATOM 194 CZ ARG A 102 7.042 14.284 10.831 1.00 2.71 C ATOM 195 NH1 ARG A 102 8.164 14.440 10.188 1.00 3.07 N ATOM 196 NH2 ARG A 102 6.882 13.270 11.633 1.00 3.37 N1+ ATOM 0 H ARG A 102 4.390 15.353 6.017 1.00 0.67 H new ATOM 0 HA ARG A 102 4.169 18.209 6.276 1.00 0.76 H new ATOM 0 HB2 ARG A 102 4.286 17.628 8.631 1.00 0.99 H new ATOM 0 HB3 ARG A 102 3.573 16.217 7.875 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.067 15.362 7.655 1.00 1.30 H new ATOM 0 HG3 ARG A 102 6.428 16.580 8.862 1.00 1.30 H new ATOM 0 HD2 ARG A 102 4.105 15.296 9.877 1.00 1.45 H new ATOM 0 HD3 ARG A 102 5.057 13.982 9.216 1.00 1.45 H new ATOM 0 HE ARG A 102 6.004 15.936 11.338 1.00 2.12 H new ATOM 0 HH11 ARG A 102 8.292 15.244 9.573 1.00 3.07 H new ATOM 0 HH12 ARG A 102 8.915 13.759 10.300 1.00 3.07 H new ATOM 0 HH21 ARG A 102 6.008 13.159 12.147 1.00 3.37 H new ATOM 0 HH22 ARG A 102 7.631 12.587 11.747 1.00 3.37 H new ATOM 210 N MET A 103 7.256 17.154 6.306 1.00 0.71 N ATOM 211 CA MET A 103 8.654 17.695 6.269 1.00 0.75 C ATOM 212 C MET A 103 8.978 18.299 4.889 1.00 0.68 C ATOM 213 O MET A 103 10.010 18.920 4.712 1.00 0.83 O ATOM 214 CB MET A 103 9.565 16.495 6.567 1.00 0.93 C ATOM 215 CG MET A 103 10.893 16.989 7.155 1.00 1.27 C ATOM 216 SD MET A 103 12.274 16.286 6.217 1.00 1.82 S ATOM 217 CE MET A 103 12.958 17.841 5.590 1.00 2.43 C ATOM 0 H MET A 103 7.173 16.149 6.156 1.00 0.71 H new ATOM 0 HA MET A 103 8.792 18.498 6.993 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.075 15.819 7.268 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.748 15.929 5.653 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.934 18.078 7.121 1.00 1.27 H new ATOM 0 HG3 MET A 103 10.968 16.700 8.203 1.00 1.27 H new ATOM 0 HE1 MET A 103 14.026 17.721 5.406 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.457 18.110 4.660 1.00 2.43 H new ATOM 0 HE3 MET A 103 12.804 18.630 6.326 1.00 2.43 H new ATOM 227 N PHE A 104 8.115 18.128 3.911 1.00 0.68 N ATOM 228 CA PHE A 104 8.396 18.697 2.556 1.00 0.79 C ATOM 229 C PHE A 104 7.716 20.063 2.366 1.00 0.71 C ATOM 230 O PHE A 104 8.276 20.935 1.733 1.00 0.88 O ATOM 231 CB PHE A 104 7.845 17.668 1.563 1.00 0.94 C ATOM 232 CG PHE A 104 8.996 16.925 0.915 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.130 16.585 1.667 1.00 1.26 C ATOM 234 CD2 PHE A 104 8.931 16.586 -0.441 1.00 2.03 C ATOM 235 CE1 PHE A 104 11.193 15.904 1.064 1.00 1.86 C ATOM 236 CE2 PHE A 104 9.994 15.903 -1.044 1.00 2.65 C ATOM 237 CZ PHE A 104 11.125 15.565 -0.293 1.00 2.56 C ATOM 0 H PHE A 104 7.234 17.621 3.995 1.00 0.68 H new ATOM 0 HA PHE A 104 9.462 18.873 2.412 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.188 16.966 2.077 1.00 0.94 H new ATOM 0 HB3 PHE A 104 7.245 18.166 0.802 1.00 0.94 H new ATOM 0 HD1 PHE A 104 10.183 16.849 2.713 1.00 1.26 H new ATOM 0 HD2 PHE A 104 8.061 16.851 -1.023 1.00 2.03 H new ATOM 0 HE1 PHE A 104 12.065 15.640 1.644 1.00 1.86 H new ATOM 0 HE2 PHE A 104 9.941 15.637 -2.089 1.00 2.65 H new ATOM 0 HZ PHE A 104 11.946 15.042 -0.760 1.00 2.56 H new ATOM 247 N ASP A 105 6.527 20.263 2.899 1.00 0.61 N ATOM 248 CA ASP A 105 5.843 21.590 2.725 1.00 0.60 C ATOM 249 C ASP A 105 6.719 22.717 3.295 1.00 0.56 C ATOM 250 O ASP A 105 6.673 23.031 4.470 1.00 0.63 O ATOM 251 CB ASP A 105 4.511 21.487 3.481 1.00 0.68 C ATOM 252 CG ASP A 105 3.584 22.632 3.050 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.262 22.705 1.873 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.210 23.418 3.902 1.00 1.45 O ATOM 0 H ASP A 105 6.007 19.573 3.441 1.00 0.61 H new ATOM 0 HA ASP A 105 5.674 21.823 1.674 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.038 20.526 3.276 1.00 0.68 H new ATOM 0 HB3 ASP A 105 4.687 21.533 4.556 1.00 0.68 H new ATOM 259 N LYS A 106 7.527 23.313 2.454 1.00 0.59 N ATOM 260 CA LYS A 106 8.435 24.412 2.904 1.00 0.66 C ATOM 261 C LYS A 106 7.665 25.727 3.094 1.00 0.55 C ATOM 262 O LYS A 106 8.120 26.617 3.785 1.00 0.63 O ATOM 263 CB LYS A 106 9.463 24.546 1.776 1.00 0.87 C ATOM 264 CG LYS A 106 10.671 25.352 2.265 1.00 1.21 C ATOM 265 CD LYS A 106 10.978 26.473 1.268 1.00 1.61 C ATOM 266 CE LYS A 106 10.429 27.803 1.801 1.00 1.77 C ATOM 267 NZ LYS A 106 9.561 28.339 0.711 1.00 2.14 N1+ ATOM 0 H LYS A 106 7.597 23.082 1.463 1.00 0.59 H new ATOM 0 HA LYS A 106 8.896 24.192 3.867 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.784 23.558 1.445 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.010 25.039 0.916 1.00 0.87 H new ATOM 0 HG2 LYS A 106 10.466 25.773 3.249 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.537 24.699 2.372 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.054 26.549 1.111 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.530 26.245 0.301 1.00 1.61 H new ATOM 0 HE2 LYS A 106 9.860 27.654 2.719 1.00 1.77 H new ATOM 0 HE3 LYS A 106 11.237 28.496 2.036 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 9.152 29.248 1.008 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 10.130 28.479 -0.148 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 8.795 27.664 0.513 1.00 2.14 H new ATOM 281 N ASN A 107 6.510 25.865 2.489 1.00 0.48 N ATOM 282 CA ASN A 107 5.737 27.135 2.650 1.00 0.50 C ATOM 283 C ASN A 107 4.984 27.157 3.996 1.00 0.58 C ATOM 284 O ASN A 107 4.623 28.210 4.484 1.00 0.70 O ATOM 285 CB ASN A 107 4.764 27.162 1.473 1.00 0.54 C ATOM 286 CG ASN A 107 4.185 28.567 1.305 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.910 29.543 1.312 1.00 1.00 O ATOM 288 ND2 ASN A 107 2.900 28.712 1.147 1.00 0.78 N ATOM 0 H ASN A 107 6.073 25.160 1.896 1.00 0.48 H new ATOM 0 HA ASN A 107 6.388 28.009 2.656 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.277 26.859 0.560 1.00 0.54 H new ATOM 0 HB3 ASN A 107 3.959 26.446 1.639 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.503 29.644 1.029 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.291 27.894 1.141 1.00 0.78 H new ATOM 295 N ALA A 108 4.761 26.003 4.596 1.00 0.65 N ATOM 296 CA ALA A 108 4.050 25.926 5.921 1.00 0.84 C ATOM 297 C ALA A 108 2.570 26.329 5.797 1.00 0.78 C ATOM 298 O ALA A 108 2.209 27.483 5.947 1.00 0.96 O ATOM 299 CB ALA A 108 4.805 26.881 6.855 1.00 1.03 C ATOM 0 H ALA A 108 5.046 25.100 4.217 1.00 0.65 H new ATOM 0 HA ALA A 108 4.047 24.906 6.305 1.00 0.84 H new ATOM 0 HB1 ALA A 108 4.337 26.872 7.840 1.00 1.03 H new ATOM 0 HB2 ALA A 108 5.843 26.559 6.943 1.00 1.03 H new ATOM 0 HB3 ALA A 108 4.772 27.891 6.446 1.00 1.03 H new ATOM 305 N ASP A 109 1.715 25.369 5.539 1.00 0.73 N ATOM 306 CA ASP A 109 0.245 25.654 5.414 1.00 0.74 C ATOM 307 C ASP A 109 -0.567 24.346 5.282 1.00 0.78 C ATOM 308 O ASP A 109 -1.724 24.296 5.658 1.00 0.96 O ATOM 309 CB ASP A 109 0.084 26.525 4.157 1.00 0.72 C ATOM 310 CG ASP A 109 0.897 25.950 3.001 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.413 25.040 2.358 1.00 1.66 O ATOM 312 OD2 ASP A 109 1.991 26.433 2.775 1.00 1.95 O ATOM 0 H ASP A 109 1.972 24.391 5.408 1.00 0.73 H new ATOM 0 HA ASP A 109 -0.132 26.163 6.301 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -0.968 26.580 3.878 1.00 0.72 H new ATOM 0 HB3 ASP A 109 0.411 27.543 4.368 1.00 0.72 H new ATOM 317 N GLY A 110 0.023 23.289 4.758 1.00 0.76 N ATOM 318 CA GLY A 110 -0.726 22.000 4.617 1.00 0.85 C ATOM 319 C GLY A 110 -0.872 21.620 3.136 1.00 0.70 C ATOM 320 O GLY A 110 -0.957 20.453 2.800 1.00 0.73 O ATOM 0 H GLY A 110 0.987 23.268 4.425 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.202 21.208 5.151 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.712 22.094 5.073 1.00 0.85 H new ATOM 324 N TYR A 111 -0.906 22.586 2.251 1.00 0.68 N ATOM 325 CA TYR A 111 -1.054 22.272 0.793 1.00 0.60 C ATOM 326 C TYR A 111 0.255 22.584 0.057 1.00 0.58 C ATOM 327 O TYR A 111 0.752 23.686 0.112 1.00 0.83 O ATOM 328 CB TYR A 111 -2.181 23.192 0.294 1.00 0.68 C ATOM 329 CG TYR A 111 -3.387 23.069 1.201 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.458 23.826 2.379 1.00 0.71 C ATOM 331 CD2 TYR A 111 -4.429 22.195 0.868 1.00 0.78 C ATOM 332 CE1 TYR A 111 -4.569 23.706 3.220 1.00 0.78 C ATOM 333 CE2 TYR A 111 -5.540 22.076 1.711 1.00 0.83 C ATOM 334 CZ TYR A 111 -5.610 22.833 2.887 1.00 0.80 C ATOM 335 OH TYR A 111 -6.704 22.718 3.718 1.00 0.90 O ATOM 0 H TYR A 111 -0.838 23.579 2.474 1.00 0.68 H new ATOM 0 HA TYR A 111 -1.282 21.221 0.618 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.836 24.226 0.272 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -2.454 22.926 -0.727 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.655 24.501 2.637 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -4.375 21.612 -0.040 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -4.623 24.288 4.128 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -6.343 21.401 1.455 1.00 0.83 H new ATOM 0 HH TYR A 111 -7.335 22.071 3.340 1.00 0.90 H new ATOM 345 N ILE A 112 0.816 21.626 -0.631 1.00 0.50 N ATOM 346 CA ILE A 112 2.101 21.880 -1.361 1.00 0.50 C ATOM 347 C ILE A 112 1.847 22.632 -2.675 1.00 0.49 C ATOM 348 O ILE A 112 0.888 22.370 -3.378 1.00 0.66 O ATOM 349 CB ILE A 112 2.691 20.488 -1.619 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.437 20.020 -0.363 1.00 0.62 C ATOM 351 CG2 ILE A 112 3.669 20.540 -2.796 1.00 0.58 C ATOM 352 CD1 ILE A 112 3.925 18.584 -0.554 1.00 0.66 C ATOM 0 H ILE A 112 0.445 20.680 -0.722 1.00 0.50 H new ATOM 0 HA ILE A 112 2.783 22.507 -0.787 1.00 0.50 H new ATOM 0 HB ILE A 112 1.884 19.795 -1.857 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.283 20.678 -0.166 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.779 20.078 0.504 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.082 19.546 -2.970 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.145 20.877 -3.690 1.00 0.58 H new ATOM 0 HG23 ILE A 112 4.478 21.234 -2.567 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.454 18.257 0.341 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.071 17.930 -0.730 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.598 18.539 -1.410 1.00 0.66 H new ATOM 364 N ASP A 113 2.712 23.561 -3.008 1.00 0.47 N ATOM 365 CA ASP A 113 2.542 24.337 -4.276 1.00 0.50 C ATOM 366 C ASP A 113 3.685 24.020 -5.253 1.00 0.50 C ATOM 367 O ASP A 113 4.689 23.433 -4.889 1.00 0.57 O ATOM 368 CB ASP A 113 2.569 25.812 -3.858 1.00 0.60 C ATOM 369 CG ASP A 113 1.327 26.140 -3.023 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.322 26.503 -3.612 1.00 1.77 O ATOM 371 OD2 ASP A 113 1.403 26.026 -1.809 1.00 1.85 O ATOM 0 H ASP A 113 3.530 23.815 -2.454 1.00 0.47 H new ATOM 0 HA ASP A 113 1.614 24.086 -4.790 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.471 26.019 -3.282 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.602 26.449 -4.742 1.00 0.60 H new ATOM 376 N LEU A 114 3.518 24.389 -6.499 1.00 0.52 N ATOM 377 CA LEU A 114 4.561 24.101 -7.539 1.00 0.57 C ATOM 378 C LEU A 114 5.941 24.675 -7.161 1.00 0.63 C ATOM 379 O LEU A 114 6.962 24.081 -7.459 1.00 0.80 O ATOM 380 CB LEU A 114 4.044 24.777 -8.814 1.00 0.62 C ATOM 381 CG LEU A 114 2.997 23.889 -9.498 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.787 24.740 -9.896 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.606 23.253 -10.754 1.00 0.81 C ATOM 0 H LEU A 114 2.696 24.883 -6.846 1.00 0.52 H new ATOM 0 HA LEU A 114 4.707 23.027 -7.653 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.606 25.745 -8.569 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.873 24.965 -9.496 1.00 0.62 H new ATOM 0 HG LEU A 114 2.682 23.105 -8.809 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.043 24.109 -10.382 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.352 25.194 -9.005 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.104 25.524 -10.584 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.862 22.622 -11.240 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.922 24.037 -11.442 1.00 0.81 H new ATOM 0 HD23 LEU A 114 4.468 22.647 -10.474 1.00 0.81 H new ATOM 395 N ASP A 115 5.988 25.826 -6.531 1.00 0.61 N ATOM 396 CA ASP A 115 7.312 26.433 -6.164 1.00 0.71 C ATOM 397 C ASP A 115 8.046 25.604 -5.094 1.00 0.65 C ATOM 398 O ASP A 115 9.255 25.667 -4.984 1.00 0.89 O ATOM 399 CB ASP A 115 6.982 27.833 -5.628 1.00 0.80 C ATOM 400 CG ASP A 115 8.279 28.597 -5.352 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.851 29.117 -6.295 1.00 1.76 O ATOM 402 OD2 ASP A 115 8.684 28.643 -4.202 1.00 1.76 O ATOM 0 H ASP A 115 5.171 26.371 -6.255 1.00 0.61 H new ATOM 0 HA ASP A 115 7.979 26.466 -7.025 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.375 28.377 -6.352 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.393 27.754 -4.714 1.00 0.80 H new ATOM 407 N GLU A 116 7.343 24.839 -4.300 1.00 0.51 N ATOM 408 CA GLU A 116 8.035 24.034 -3.242 1.00 0.48 C ATOM 409 C GLU A 116 8.463 22.651 -3.770 1.00 0.49 C ATOM 410 O GLU A 116 9.299 22.000 -3.175 1.00 0.63 O ATOM 411 CB GLU A 116 7.013 23.887 -2.108 1.00 0.48 C ATOM 412 CG GLU A 116 6.565 25.269 -1.630 1.00 0.57 C ATOM 413 CD GLU A 116 5.264 25.138 -0.842 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.257 24.429 0.152 1.00 1.36 O ATOM 415 OE2 GLU A 116 4.298 25.757 -1.240 1.00 1.19 O ATOM 0 H GLU A 116 6.329 24.735 -4.335 1.00 0.51 H new ATOM 0 HA GLU A 116 8.950 24.525 -2.909 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.152 23.315 -2.454 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.453 23.331 -1.280 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.337 25.718 -1.005 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.421 25.932 -2.483 1.00 0.57 H new ATOM 422 N LEU A 117 7.903 22.190 -4.869 1.00 0.48 N ATOM 423 CA LEU A 117 8.290 20.834 -5.405 1.00 0.52 C ATOM 424 C LEU A 117 9.769 20.794 -5.825 1.00 0.58 C ATOM 425 O LEU A 117 10.434 19.787 -5.673 1.00 0.69 O ATOM 426 CB LEU A 117 7.406 20.598 -6.638 1.00 0.55 C ATOM 427 CG LEU A 117 5.923 20.612 -6.259 1.00 0.50 C ATOM 428 CD1 LEU A 117 5.101 20.832 -7.523 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.528 19.271 -5.634 1.00 0.53 C ATOM 0 H LEU A 117 7.200 22.687 -5.416 1.00 0.48 H new ATOM 0 HA LEU A 117 8.153 20.070 -4.640 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.602 21.369 -7.384 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.660 19.641 -7.094 1.00 0.55 H new ATOM 0 HG LEU A 117 5.738 21.409 -5.539 1.00 0.50 H new ATOM 0 HD11 LEU A 117 4.041 20.845 -7.270 1.00 0.58 H new ATOM 0 HD12 LEU A 117 5.377 21.784 -7.976 1.00 0.58 H new ATOM 0 HD13 LEU A 117 5.296 20.025 -8.229 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.471 19.291 -5.368 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.707 18.469 -6.350 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.125 19.097 -4.738 1.00 0.53 H new ATOM 441 N LYS A 118 10.279 21.869 -6.375 1.00 0.59 N ATOM 442 CA LYS A 118 11.705 21.879 -6.838 1.00 0.69 C ATOM 443 C LYS A 118 12.678 22.394 -5.753 1.00 0.64 C ATOM 444 O LYS A 118 13.880 22.335 -5.929 1.00 0.73 O ATOM 445 CB LYS A 118 11.705 22.784 -8.090 1.00 0.83 C ATOM 446 CG LYS A 118 12.216 24.201 -7.770 1.00 0.99 C ATOM 447 CD LYS A 118 11.158 24.985 -6.987 1.00 1.35 C ATOM 448 CE LYS A 118 11.174 26.451 -7.437 1.00 1.51 C ATOM 449 NZ LYS A 118 11.053 27.253 -6.186 1.00 1.99 N1+ ATOM 0 H LYS A 118 9.771 22.741 -6.524 1.00 0.59 H new ATOM 0 HA LYS A 118 12.060 20.872 -7.059 1.00 0.69 H new ATOM 0 HB2 LYS A 118 12.332 22.337 -8.862 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.695 22.844 -8.495 1.00 0.83 H new ATOM 0 HG2 LYS A 118 13.137 24.140 -7.190 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.456 24.726 -8.695 1.00 0.99 H new ATOM 0 HD2 LYS A 118 10.171 24.553 -7.154 1.00 1.35 H new ATOM 0 HD3 LYS A 118 11.358 24.919 -5.918 1.00 1.35 H new ATOM 0 HE2 LYS A 118 12.096 26.689 -7.968 1.00 1.51 H new ATOM 0 HE3 LYS A 118 10.350 26.661 -8.119 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 10.565 28.148 -6.393 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 10.508 26.716 -5.481 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 12.001 27.455 -5.810 1.00 1.99 H new ATOM 463 N ILE A 119 12.187 22.921 -4.653 1.00 0.68 N ATOM 464 CA ILE A 119 13.119 23.456 -3.602 1.00 0.74 C ATOM 465 C ILE A 119 13.804 22.330 -2.799 1.00 0.75 C ATOM 466 O ILE A 119 15.014 22.208 -2.825 1.00 0.85 O ATOM 467 CB ILE A 119 12.245 24.340 -2.696 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.120 25.729 -3.334 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.888 24.475 -1.310 1.00 1.08 C ATOM 470 CD1 ILE A 119 10.980 26.505 -2.675 1.00 1.06 C ATOM 0 H ILE A 119 11.193 23.004 -4.438 1.00 0.68 H new ATOM 0 HA ILE A 119 13.937 24.018 -4.053 1.00 0.74 H new ATOM 0 HB ILE A 119 11.261 23.885 -2.586 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.056 26.276 -3.221 1.00 1.22 H new ATOM 0 HG13 ILE A 119 11.934 25.632 -4.404 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.261 25.103 -0.677 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.987 23.488 -0.857 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.874 24.930 -1.409 1.00 1.08 H new ATOM 0 HD11 ILE A 119 10.898 27.490 -3.134 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.044 25.962 -2.811 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.184 26.616 -1.610 1.00 1.06 H new ATOM 482 N MET A 120 13.061 21.531 -2.069 1.00 0.85 N ATOM 483 CA MET A 120 13.707 20.444 -1.252 1.00 1.01 C ATOM 484 C MET A 120 14.221 19.290 -2.135 1.00 0.95 C ATOM 485 O MET A 120 15.137 18.585 -1.755 1.00 1.11 O ATOM 486 CB MET A 120 12.626 19.963 -0.267 1.00 1.17 C ATOM 487 CG MET A 120 11.751 18.877 -0.902 1.00 1.52 C ATOM 488 SD MET A 120 10.517 19.650 -1.971 1.00 1.88 S ATOM 489 CE MET A 120 9.304 20.008 -0.680 1.00 1.43 C ATOM 0 H MET A 120 12.044 21.580 -2.001 1.00 0.85 H new ATOM 0 HA MET A 120 14.586 20.818 -0.728 1.00 1.01 H new ATOM 0 HB2 MET A 120 13.098 19.574 0.635 1.00 1.17 H new ATOM 0 HB3 MET A 120 12.004 20.805 0.036 1.00 1.17 H new ATOM 0 HG2 MET A 120 12.368 18.189 -1.479 1.00 1.52 H new ATOM 0 HG3 MET A 120 11.260 18.290 -0.126 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.406 19.413 -0.849 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.726 19.760 0.294 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.047 21.067 -0.705 1.00 1.43 H new ATOM 499 N LEU A 121 13.652 19.090 -3.303 1.00 0.87 N ATOM 500 CA LEU A 121 14.132 17.977 -4.190 1.00 0.95 C ATOM 501 C LEU A 121 15.560 18.260 -4.701 1.00 0.87 C ATOM 502 O LEU A 121 16.226 17.378 -5.212 1.00 0.97 O ATOM 503 CB LEU A 121 13.143 17.934 -5.366 1.00 1.09 C ATOM 504 CG LEU A 121 12.125 16.797 -5.181 1.00 1.41 C ATOM 505 CD1 LEU A 121 12.851 15.466 -4.968 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.238 17.092 -3.970 1.00 1.80 C ATOM 0 H LEU A 121 12.882 19.644 -3.679 1.00 0.87 H new ATOM 0 HA LEU A 121 14.172 17.028 -3.655 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.620 18.887 -5.443 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.687 17.793 -6.300 1.00 1.09 H new ATOM 0 HG LEU A 121 11.509 16.727 -6.078 1.00 1.41 H new ATOM 0 HD11 LEU A 121 12.119 14.669 -4.838 1.00 2.03 H new ATOM 0 HD12 LEU A 121 13.474 15.249 -5.835 1.00 2.03 H new ATOM 0 HD13 LEU A 121 13.477 15.532 -4.078 1.00 2.03 H new ATOM 0 HD21 LEU A 121 10.517 16.284 -3.841 1.00 1.80 H new ATOM 0 HD22 LEU A 121 11.857 17.172 -3.076 1.00 1.80 H new ATOM 0 HD23 LEU A 121 10.707 18.030 -4.128 1.00 1.80 H new ATOM 518 N GLN A 122 16.034 19.482 -4.567 1.00 0.82 N ATOM 519 CA GLN A 122 17.416 19.826 -5.041 1.00 0.95 C ATOM 520 C GLN A 122 18.462 18.897 -4.407 1.00 1.04 C ATOM 521 O GLN A 122 19.347 18.403 -5.080 1.00 1.19 O ATOM 522 CB GLN A 122 17.648 21.271 -4.592 1.00 1.14 C ATOM 523 CG GLN A 122 17.471 22.214 -5.786 1.00 1.42 C ATOM 524 CD GLN A 122 17.346 23.656 -5.288 1.00 1.85 C ATOM 525 OE1 GLN A 122 18.334 24.299 -4.998 1.00 2.44 O ATOM 526 NE2 GLN A 122 16.165 24.199 -5.180 1.00 2.28 N ATOM 0 H GLN A 122 15.520 20.257 -4.148 1.00 0.82 H new ATOM 0 HA GLN A 122 17.509 19.710 -6.121 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.946 21.534 -3.801 1.00 1.14 H new ATOM 0 HB3 GLN A 122 18.650 21.377 -4.177 1.00 1.14 H new ATOM 0 HG2 GLN A 122 18.321 22.125 -6.462 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.583 21.936 -6.353 1.00 1.42 H new ATOM 0 HE21 GLN A 122 15.333 23.662 -5.423 1.00 2.28 H new ATOM 0 HE22 GLN A 122 16.074 25.161 -4.853 1.00 2.28 H new ATOM 535 N ALA A 123 18.366 18.660 -3.120 1.00 1.09 N ATOM 536 CA ALA A 123 19.352 17.763 -2.435 1.00 1.33 C ATOM 537 C ALA A 123 19.361 16.370 -3.082 1.00 1.38 C ATOM 538 O ALA A 123 20.395 15.736 -3.190 1.00 1.62 O ATOM 539 CB ALA A 123 18.869 17.678 -0.986 1.00 1.45 C ATOM 0 H ALA A 123 17.645 19.050 -2.513 1.00 1.09 H new ATOM 0 HA ALA A 123 20.370 18.146 -2.507 1.00 1.33 H new ATOM 0 HB1 ALA A 123 19.541 17.036 -0.416 1.00 1.45 H new ATOM 0 HB2 ALA A 123 18.860 18.675 -0.546 1.00 1.45 H new ATOM 0 HB3 ALA A 123 17.862 17.261 -0.962 1.00 1.45 H new ATOM 545 N THR A 124 18.221 15.894 -3.518 1.00 1.29 N ATOM 546 CA THR A 124 18.164 14.546 -4.166 1.00 1.47 C ATOM 547 C THR A 124 18.724 14.628 -5.593 1.00 1.44 C ATOM 548 O THR A 124 19.366 13.711 -6.070 1.00 1.72 O ATOM 549 CB THR A 124 16.675 14.175 -4.187 1.00 1.56 C ATOM 550 OG1 THR A 124 16.094 14.453 -2.918 1.00 2.16 O ATOM 551 CG2 THR A 124 16.511 12.687 -4.504 1.00 1.92 C ATOM 0 H THR A 124 17.327 16.380 -3.453 1.00 1.29 H new ATOM 0 HA THR A 124 18.756 13.802 -3.633 1.00 1.47 H new ATOM 0 HB THR A 124 16.174 14.764 -4.955 1.00 1.56 H new ATOM 0 HG1 THR A 124 15.143 14.217 -2.935 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.451 12.432 -4.517 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.948 12.473 -5.479 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.017 12.095 -3.742 1.00 1.92 H new ATOM 559 N GLY A 125 18.491 15.727 -6.271 1.00 1.26 N ATOM 560 CA GLY A 125 19.012 15.885 -7.663 1.00 1.32 C ATOM 561 C GLY A 125 18.478 17.190 -8.268 1.00 1.26 C ATOM 562 O GLY A 125 19.186 18.176 -8.353 1.00 1.63 O ATOM 0 H GLY A 125 17.960 16.523 -5.917 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.102 15.895 -7.655 1.00 1.32 H new ATOM 0 HA3 GLY A 125 18.706 15.037 -8.275 1.00 1.32 H new ATOM 566 N GLU A 126 17.232 17.192 -8.689 1.00 1.02 N ATOM 567 CA GLU A 126 16.614 18.420 -9.299 1.00 1.08 C ATOM 568 C GLU A 126 17.469 18.948 -10.465 1.00 0.89 C ATOM 569 O GLU A 126 17.619 20.142 -10.648 1.00 0.87 O ATOM 570 CB GLU A 126 16.540 19.443 -8.155 1.00 1.34 C ATOM 571 CG GLU A 126 15.540 20.559 -8.496 1.00 1.45 C ATOM 572 CD GLU A 126 14.177 19.956 -8.844 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.532 19.444 -7.947 1.00 2.09 O ATOM 574 OE2 GLU A 126 13.804 20.015 -10.003 1.00 2.16 O ATOM 0 H GLU A 126 16.609 16.386 -8.636 1.00 1.02 H new ATOM 0 HA GLU A 126 15.630 18.214 -9.720 1.00 1.08 H new ATOM 0 HB2 GLU A 126 16.239 18.946 -7.233 1.00 1.34 H new ATOM 0 HB3 GLU A 126 17.526 19.872 -7.978 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.440 21.239 -7.650 1.00 1.45 H new ATOM 0 HG3 GLU A 126 15.911 21.147 -9.336 1.00 1.45 H new ATOM 581 N THR A 127 18.020 18.065 -11.264 1.00 1.09 N ATOM 582 CA THR A 127 18.855 18.509 -12.427 1.00 1.21 C ATOM 583 C THR A 127 18.001 18.526 -13.699 1.00 1.29 C ATOM 584 O THR A 127 18.311 17.878 -14.682 1.00 1.60 O ATOM 585 CB THR A 127 19.986 17.475 -12.545 1.00 1.57 C ATOM 586 OG1 THR A 127 19.437 16.163 -12.563 1.00 1.91 O ATOM 587 CG2 THR A 127 20.935 17.609 -11.353 1.00 2.18 C ATOM 0 H THR A 127 17.928 17.054 -11.161 1.00 1.09 H new ATOM 0 HA THR A 127 19.252 19.515 -12.289 1.00 1.21 H new ATOM 0 HB THR A 127 20.536 17.653 -13.469 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.161 15.507 -12.640 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.735 16.874 -11.441 1.00 2.18 H new ATOM 0 HG22 THR A 127 21.363 18.611 -11.339 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.384 17.437 -10.428 1.00 2.18 H new ATOM 595 N ILE A 128 16.921 19.263 -13.677 1.00 1.08 N ATOM 596 CA ILE A 128 16.021 19.332 -14.872 1.00 1.20 C ATOM 597 C ILE A 128 15.621 20.787 -15.158 1.00 1.18 C ATOM 598 O ILE A 128 16.093 21.706 -14.515 1.00 1.15 O ATOM 599 CB ILE A 128 14.788 18.494 -14.506 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.352 18.789 -13.060 1.00 1.32 C ATOM 601 CG2 ILE A 128 15.118 17.005 -14.648 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.001 18.128 -12.785 1.00 2.03 C ATOM 0 H ILE A 128 16.620 19.824 -12.880 1.00 1.08 H new ATOM 0 HA ILE A 128 16.510 18.956 -15.771 1.00 1.20 H new ATOM 0 HB ILE A 128 13.973 18.754 -15.181 1.00 1.12 H new ATOM 0 HG12 ILE A 128 15.100 18.415 -12.361 1.00 1.32 H new ATOM 0 HG13 ILE A 128 14.280 19.865 -12.904 1.00 1.32 H new ATOM 0 HG21 ILE A 128 14.241 16.412 -14.388 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.407 16.793 -15.677 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.941 16.749 -13.980 1.00 1.62 H new ATOM 0 HD11 ILE A 128 12.695 18.339 -11.760 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.255 18.523 -13.475 1.00 2.03 H new ATOM 0 HD13 ILE A 128 13.088 17.050 -12.923 1.00 2.03 H new ATOM 614 N THR A 129 14.754 21.005 -16.120 1.00 1.34 N ATOM 615 CA THR A 129 14.328 22.406 -16.444 1.00 1.42 C ATOM 616 C THR A 129 12.912 22.683 -15.899 1.00 1.16 C ATOM 617 O THR A 129 12.531 22.161 -14.869 1.00 0.97 O ATOM 618 CB THR A 129 14.392 22.507 -17.979 1.00 1.64 C ATOM 619 OG1 THR A 129 14.110 23.844 -18.377 1.00 2.23 O ATOM 620 CG2 THR A 129 13.379 21.557 -18.620 1.00 2.28 C ATOM 0 H THR A 129 14.325 20.278 -16.692 1.00 1.34 H new ATOM 0 HA THR A 129 14.971 23.154 -15.980 1.00 1.42 H new ATOM 0 HB THR A 129 15.392 22.227 -18.310 1.00 1.64 H new ATOM 0 HG1 THR A 129 14.152 23.910 -19.354 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.437 21.641 -19.705 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.602 20.532 -18.323 1.00 2.28 H new ATOM 0 HG23 THR A 129 12.374 21.820 -18.289 1.00 2.28 H new ATOM 628 N GLU A 130 12.144 23.520 -16.557 1.00 1.31 N ATOM 629 CA GLU A 130 10.773 23.848 -16.044 1.00 1.28 C ATOM 630 C GLU A 130 9.731 22.792 -16.449 1.00 1.16 C ATOM 631 O GLU A 130 8.871 22.445 -15.660 1.00 1.21 O ATOM 632 CB GLU A 130 10.431 25.221 -16.642 1.00 1.69 C ATOM 633 CG GLU A 130 10.176 25.107 -18.152 1.00 2.05 C ATOM 634 CD GLU A 130 10.160 26.504 -18.777 1.00 2.43 C ATOM 635 OE1 GLU A 130 11.218 26.970 -19.165 1.00 2.70 O ATOM 636 OE2 GLU A 130 9.089 27.085 -18.853 1.00 3.03 O ATOM 0 H GLU A 130 12.405 23.989 -17.424 1.00 1.31 H new ATOM 0 HA GLU A 130 10.758 23.861 -14.954 1.00 1.28 H new ATOM 0 HB2 GLU A 130 9.548 25.628 -16.149 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.249 25.917 -16.458 1.00 1.69 H new ATOM 0 HG2 GLU A 130 10.952 24.498 -18.617 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.225 24.605 -18.334 1.00 2.05 H new ATOM 643 N ASP A 131 9.782 22.282 -17.658 1.00 1.18 N ATOM 644 CA ASP A 131 8.765 21.258 -18.072 1.00 1.19 C ATOM 645 C ASP A 131 8.910 19.978 -17.230 1.00 1.07 C ATOM 646 O ASP A 131 7.934 19.309 -16.947 1.00 1.14 O ATOM 647 CB ASP A 131 8.994 20.973 -19.572 1.00 1.44 C ATOM 648 CG ASP A 131 10.482 20.804 -19.884 1.00 1.48 C ATOM 649 OD1 ASP A 131 11.033 19.777 -19.531 1.00 2.07 O ATOM 650 OD2 ASP A 131 11.041 21.707 -20.482 1.00 1.91 O ATOM 0 H ASP A 131 10.473 22.525 -18.368 1.00 1.18 H new ATOM 0 HA ASP A 131 7.752 21.626 -17.908 1.00 1.19 H new ATOM 0 HB2 ASP A 131 8.455 20.070 -19.859 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.586 21.791 -20.166 1.00 1.44 H new ATOM 655 N ASP A 132 10.109 19.642 -16.815 1.00 1.00 N ATOM 656 CA ASP A 132 10.298 18.411 -15.982 1.00 1.03 C ATOM 657 C ASP A 132 9.580 18.561 -14.632 1.00 0.88 C ATOM 658 O ASP A 132 9.066 17.603 -14.085 1.00 1.03 O ATOM 659 CB ASP A 132 11.808 18.298 -15.768 1.00 1.13 C ATOM 660 CG ASP A 132 12.493 17.886 -17.073 1.00 1.39 C ATOM 661 OD1 ASP A 132 12.224 16.795 -17.544 1.00 1.79 O ATOM 662 OD2 ASP A 132 13.284 18.669 -17.573 1.00 1.99 O ATOM 0 H ASP A 132 10.962 20.165 -17.016 1.00 1.00 H new ATOM 0 HA ASP A 132 9.886 17.526 -16.466 1.00 1.03 H new ATOM 0 HB2 ASP A 132 12.207 19.252 -15.424 1.00 1.13 H new ATOM 0 HB3 ASP A 132 12.019 17.565 -14.990 1.00 1.13 H new ATOM 667 N ILE A 133 9.534 19.759 -14.096 1.00 0.75 N ATOM 668 CA ILE A 133 8.838 19.975 -12.784 1.00 0.77 C ATOM 669 C ILE A 133 7.351 19.641 -12.929 1.00 0.70 C ATOM 670 O ILE A 133 6.765 18.976 -12.094 1.00 0.82 O ATOM 671 CB ILE A 133 9.008 21.471 -12.453 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.486 21.892 -12.564 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.518 21.735 -11.028 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.369 20.968 -11.717 1.00 1.00 C ATOM 0 H ILE A 133 9.947 20.595 -14.509 1.00 0.75 H new ATOM 0 HA ILE A 133 9.251 19.342 -11.999 1.00 0.77 H new ATOM 0 HB ILE A 133 8.423 22.052 -13.166 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.804 21.855 -13.606 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.603 22.923 -12.231 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.638 22.792 -10.792 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.466 21.462 -10.949 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.101 21.139 -10.326 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.410 21.278 -11.806 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.061 21.026 -10.673 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.265 19.942 -12.069 1.00 1.00 H new ATOM 686 N GLU A 134 6.743 20.106 -13.990 1.00 0.61 N ATOM 687 CA GLU A 134 5.292 19.842 -14.221 1.00 0.64 C ATOM 688 C GLU A 134 5.019 18.344 -14.425 1.00 0.64 C ATOM 689 O GLU A 134 3.931 17.875 -14.156 1.00 0.76 O ATOM 690 CB GLU A 134 4.947 20.635 -15.485 1.00 0.73 C ATOM 691 CG GLU A 134 4.201 21.911 -15.089 1.00 0.89 C ATOM 692 CD GLU A 134 2.744 21.572 -14.760 1.00 1.21 C ATOM 693 OE1 GLU A 134 1.984 21.345 -15.687 1.00 1.87 O ATOM 694 OE2 GLU A 134 2.414 21.540 -13.586 1.00 1.86 O ATOM 0 H GLU A 134 7.196 20.664 -14.714 1.00 0.61 H new ATOM 0 HA GLU A 134 4.686 20.141 -13.366 1.00 0.64 H new ATOM 0 HB2 GLU A 134 5.856 20.886 -16.031 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.331 20.031 -16.151 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.681 22.373 -14.226 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.242 22.636 -15.902 1.00 0.89 H new ATOM 701 N GLU A 135 5.989 17.587 -14.888 1.00 0.59 N ATOM 702 CA GLU A 135 5.757 16.122 -15.094 1.00 0.67 C ATOM 703 C GLU A 135 5.577 15.429 -13.740 1.00 0.74 C ATOM 704 O GLU A 135 4.709 14.593 -13.576 1.00 0.91 O ATOM 705 CB GLU A 135 7.000 15.603 -15.828 1.00 0.72 C ATOM 706 CG GLU A 135 6.984 16.070 -17.296 1.00 1.16 C ATOM 707 CD GLU A 135 5.554 16.052 -17.852 1.00 1.56 C ATOM 708 OE1 GLU A 135 5.096 14.985 -18.220 1.00 2.29 O ATOM 709 OE2 GLU A 135 4.942 17.108 -17.897 1.00 2.03 O ATOM 0 H GLU A 135 6.923 17.918 -15.130 1.00 0.59 H new ATOM 0 HA GLU A 135 4.855 15.922 -15.672 1.00 0.67 H new ATOM 0 HB2 GLU A 135 7.901 15.965 -15.333 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.029 14.514 -15.785 1.00 0.72 H new ATOM 0 HG2 GLU A 135 7.395 17.077 -17.368 1.00 1.16 H new ATOM 0 HG3 GLU A 135 7.622 15.422 -17.897 1.00 1.16 H new ATOM 716 N LEU A 136 6.363 15.793 -12.756 1.00 0.73 N ATOM 717 CA LEU A 136 6.199 15.175 -11.403 1.00 0.87 C ATOM 718 C LEU A 136 4.845 15.605 -10.819 1.00 0.81 C ATOM 719 O LEU A 136 4.235 14.890 -10.043 1.00 1.00 O ATOM 720 CB LEU A 136 7.357 15.725 -10.558 1.00 0.99 C ATOM 721 CG LEU A 136 8.574 14.783 -10.616 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.489 13.755 -9.480 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.623 14.047 -11.962 1.00 1.75 C ATOM 0 H LEU A 136 7.107 16.487 -12.830 1.00 0.73 H new ATOM 0 HA LEU A 136 6.217 14.085 -11.430 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.639 16.714 -10.920 1.00 0.99 H new ATOM 0 HB3 LEU A 136 7.033 15.845 -9.524 1.00 0.99 H new ATOM 0 HG LEU A 136 9.479 15.381 -10.506 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.352 13.091 -9.525 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.479 14.273 -8.521 1.00 1.74 H new ATOM 0 HD13 LEU A 136 7.575 13.170 -9.586 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.490 13.386 -11.984 1.00 1.75 H new ATOM 0 HD22 LEU A 136 7.714 13.458 -12.088 1.00 1.75 H new ATOM 0 HD23 LEU A 136 8.700 14.773 -12.771 1.00 1.75 H new ATOM 735 N MET A 137 4.371 16.769 -11.204 1.00 0.67 N ATOM 736 CA MET A 137 3.055 17.264 -10.700 1.00 0.71 C ATOM 737 C MET A 137 1.889 16.528 -11.385 1.00 0.68 C ATOM 738 O MET A 137 0.770 16.591 -10.923 1.00 0.70 O ATOM 739 CB MET A 137 3.035 18.755 -11.054 1.00 0.82 C ATOM 740 CG MET A 137 1.874 19.450 -10.335 1.00 0.99 C ATOM 741 SD MET A 137 2.532 20.488 -9.005 1.00 0.94 S ATOM 742 CE MET A 137 0.952 21.097 -8.361 1.00 0.53 C ATOM 0 H MET A 137 4.846 17.399 -11.851 1.00 0.67 H new ATOM 0 HA MET A 137 2.938 17.091 -9.630 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.980 19.218 -10.768 1.00 0.82 H new ATOM 0 HB3 MET A 137 2.933 18.880 -12.132 1.00 0.82 H new ATOM 0 HG2 MET A 137 1.306 20.058 -11.039 1.00 0.99 H new ATOM 0 HG3 MET A 137 1.187 18.708 -9.928 1.00 0.99 H new ATOM 0 HE1 MET A 137 1.124 21.650 -7.437 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.489 21.755 -9.096 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.291 20.254 -8.161 1.00 0.53 H new ATOM 752 N LYS A 138 2.128 15.829 -12.474 1.00 0.76 N ATOM 753 CA LYS A 138 1.001 15.101 -13.146 1.00 0.82 C ATOM 754 C LYS A 138 0.394 14.078 -12.176 1.00 0.72 C ATOM 755 O LYS A 138 -0.795 14.080 -11.932 1.00 0.84 O ATOM 756 CB LYS A 138 1.615 14.390 -14.358 1.00 0.99 C ATOM 757 CG LYS A 138 1.173 15.091 -15.648 1.00 1.57 C ATOM 758 CD LYS A 138 2.235 16.109 -16.067 1.00 2.09 C ATOM 759 CE LYS A 138 1.559 17.341 -16.678 1.00 2.74 C ATOM 760 NZ LYS A 138 2.601 18.406 -16.651 1.00 3.43 N1+ ATOM 0 H LYS A 138 3.040 15.732 -12.920 1.00 0.76 H new ATOM 0 HA LYS A 138 0.205 15.780 -13.451 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.702 14.397 -14.283 1.00 0.99 H new ATOM 0 HB3 LYS A 138 1.303 13.346 -14.375 1.00 0.99 H new ATOM 0 HG2 LYS A 138 1.025 14.357 -16.440 1.00 1.57 H new ATOM 0 HG3 LYS A 138 0.217 15.590 -15.493 1.00 1.57 H new ATOM 0 HD2 LYS A 138 2.833 16.401 -15.204 1.00 2.09 H new ATOM 0 HD3 LYS A 138 2.917 15.661 -16.790 1.00 2.09 H new ATOM 0 HE2 LYS A 138 1.223 17.143 -17.696 1.00 2.74 H new ATOM 0 HE3 LYS A 138 0.680 17.634 -16.104 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 2.235 19.262 -17.115 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 2.847 18.626 -15.665 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 3.449 18.075 -17.154 1.00 3.43 H new ATOM 774 N ASP A 139 1.205 13.216 -11.608 1.00 0.75 N ATOM 775 CA ASP A 139 0.669 12.209 -10.640 1.00 0.78 C ATOM 776 C ASP A 139 0.332 12.892 -9.306 1.00 0.70 C ATOM 777 O ASP A 139 -0.616 12.527 -8.637 1.00 0.81 O ATOM 778 CB ASP A 139 1.787 11.173 -10.467 1.00 0.97 C ATOM 779 CG ASP A 139 1.182 9.770 -10.366 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.331 9.447 -11.180 1.00 1.66 O ATOM 781 OD2 ASP A 139 1.581 9.038 -9.478 1.00 1.69 O ATOM 0 H ASP A 139 2.210 13.167 -11.773 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.250 11.741 -10.994 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.475 11.223 -11.311 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.366 11.395 -9.570 1.00 0.97 H new ATOM 786 N GLY A 140 1.089 13.897 -8.926 1.00 0.64 N ATOM 787 CA GLY A 140 0.796 14.623 -7.652 1.00 0.62 C ATOM 788 C GLY A 140 -0.533 15.364 -7.812 1.00 0.57 C ATOM 789 O GLY A 140 -1.404 15.289 -6.969 1.00 0.65 O ATOM 0 H GLY A 140 1.896 14.244 -9.445 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.741 13.921 -6.820 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.597 15.326 -7.424 1.00 0.62 H new ATOM 793 N ASP A 141 -0.692 16.059 -8.907 1.00 0.56 N ATOM 794 CA ASP A 141 -1.958 16.797 -9.169 1.00 0.56 C ATOM 795 C ASP A 141 -2.451 16.478 -10.585 1.00 0.58 C ATOM 796 O ASP A 141 -2.198 17.217 -11.521 1.00 0.64 O ATOM 797 CB ASP A 141 -1.589 18.283 -9.043 1.00 0.60 C ATOM 798 CG ASP A 141 -2.856 19.139 -8.898 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.922 18.676 -9.275 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.737 20.247 -8.408 1.00 1.23 O ATOM 0 H ASP A 141 0.012 16.146 -9.640 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.756 16.524 -8.478 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.941 18.431 -8.179 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.027 18.600 -9.921 1.00 0.60 H new ATOM 805 N LYS A 142 -3.158 15.386 -10.752 1.00 0.62 N ATOM 806 CA LYS A 142 -3.673 15.031 -12.114 1.00 0.70 C ATOM 807 C LYS A 142 -4.594 16.147 -12.636 1.00 0.79 C ATOM 808 O LYS A 142 -4.719 16.348 -13.828 1.00 0.92 O ATOM 809 CB LYS A 142 -4.436 13.709 -11.942 1.00 0.79 C ATOM 810 CG LYS A 142 -3.557 12.546 -12.427 1.00 0.88 C ATOM 811 CD LYS A 142 -3.682 11.360 -11.462 1.00 1.37 C ATOM 812 CE LYS A 142 -2.902 11.653 -10.176 1.00 1.79 C ATOM 813 NZ LYS A 142 -2.225 10.370 -9.829 1.00 2.44 N1+ ATOM 0 H LYS A 142 -3.400 14.729 -10.010 1.00 0.62 H new ATOM 0 HA LYS A 142 -2.869 14.922 -12.842 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.704 13.565 -10.895 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.367 13.737 -12.509 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.859 12.244 -13.430 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.517 12.866 -12.491 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.731 11.178 -11.229 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -3.299 10.455 -11.932 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -2.177 12.452 -10.329 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -3.568 11.976 -9.376 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -1.671 10.494 -8.958 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -2.940 9.629 -9.682 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -1.591 10.091 -10.605 1.00 2.44 H new ATOM 827 N ASN A 143 -5.216 16.892 -11.748 1.00 0.80 N ATOM 828 CA ASN A 143 -6.102 18.019 -12.190 1.00 0.95 C ATOM 829 C ASN A 143 -5.243 19.194 -12.690 1.00 0.92 C ATOM 830 O ASN A 143 -5.693 20.017 -13.464 1.00 1.08 O ATOM 831 CB ASN A 143 -6.888 18.445 -10.942 1.00 1.07 C ATOM 832 CG ASN A 143 -7.475 17.223 -10.231 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.241 16.478 -10.805 1.00 1.95 O ATOM 834 ND2 ASN A 143 -7.144 16.987 -8.991 1.00 1.70 N ATOM 0 H ASN A 143 -5.148 16.768 -10.738 1.00 0.80 H new ATOM 0 HA ASN A 143 -6.763 17.718 -13.003 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -6.233 18.989 -10.261 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.689 19.127 -11.226 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -7.529 16.177 -8.506 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.500 17.613 -8.507 1.00 1.70 H new ATOM 841 N ASN A 144 -4.006 19.266 -12.237 1.00 0.86 N ATOM 842 CA ASN A 144 -3.076 20.365 -12.651 1.00 0.93 C ATOM 843 C ASN A 144 -3.615 21.741 -12.226 1.00 1.03 C ATOM 844 O ASN A 144 -3.465 22.719 -12.937 1.00 1.71 O ATOM 845 CB ASN A 144 -2.964 20.260 -14.180 1.00 1.08 C ATOM 846 CG ASN A 144 -1.563 19.770 -14.564 1.00 1.49 C ATOM 847 OD1 ASN A 144 -1.417 18.742 -15.192 1.00 2.18 O ATOM 848 ND2 ASN A 144 -0.520 20.470 -14.214 1.00 1.97 N ATOM 0 H ASN A 144 -3.599 18.594 -11.586 1.00 0.86 H new ATOM 0 HA ASN A 144 -2.102 20.264 -12.172 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -3.718 19.572 -14.563 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -3.158 21.231 -14.636 1.00 1.08 H new ATOM 0 HD21 ASN A 144 0.416 20.153 -14.468 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -0.640 21.335 -13.686 1.00 1.97 H new ATOM 855 N ASP A 145 -4.218 21.834 -11.064 1.00 0.88 N ATOM 856 CA ASP A 145 -4.737 23.161 -10.599 1.00 0.92 C ATOM 857 C ASP A 145 -3.621 23.953 -9.891 1.00 0.91 C ATOM 858 O ASP A 145 -3.687 25.165 -9.788 1.00 1.07 O ATOM 859 CB ASP A 145 -5.921 22.874 -9.651 1.00 0.93 C ATOM 860 CG ASP A 145 -5.557 21.825 -8.596 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.910 22.180 -7.627 1.00 1.89 O ATOM 862 OD2 ASP A 145 -5.952 20.686 -8.766 1.00 2.06 O ATOM 0 H ASP A 145 -4.372 21.056 -10.422 1.00 0.88 H new ATOM 0 HA ASP A 145 -5.070 23.773 -11.437 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.225 23.797 -9.157 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -6.776 22.526 -10.231 1.00 0.93 H new ATOM 867 N GLY A 146 -2.587 23.285 -9.425 1.00 0.84 N ATOM 868 CA GLY A 146 -1.463 24.011 -8.753 1.00 0.92 C ATOM 869 C GLY A 146 -1.414 23.698 -7.251 1.00 0.66 C ATOM 870 O GLY A 146 -0.433 23.992 -6.593 1.00 0.74 O ATOM 0 H GLY A 146 -2.476 22.273 -9.482 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -0.517 23.729 -9.216 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -1.582 25.085 -8.899 1.00 0.92 H new ATOM 874 N ARG A 147 -2.451 23.117 -6.695 1.00 0.56 N ATOM 875 CA ARG A 147 -2.436 22.806 -5.229 1.00 0.54 C ATOM 876 C ARG A 147 -2.365 21.293 -4.997 1.00 0.46 C ATOM 877 O ARG A 147 -3.146 20.534 -5.537 1.00 0.45 O ATOM 878 CB ARG A 147 -3.755 23.364 -4.673 1.00 0.77 C ATOM 879 CG ARG A 147 -3.913 24.838 -5.066 1.00 1.39 C ATOM 880 CD ARG A 147 -2.794 25.663 -4.427 1.00 1.79 C ATOM 881 NE ARG A 147 -2.740 26.919 -5.226 1.00 2.55 N ATOM 882 CZ ARG A 147 -2.064 26.955 -6.337 1.00 2.87 C ATOM 883 NH1 ARG A 147 -0.765 27.043 -6.305 1.00 3.37 N1+ ATOM 884 NH2 ARG A 147 -2.687 26.891 -7.481 1.00 3.10 N ATOM 0 H ARG A 147 -3.302 22.846 -7.189 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.568 23.246 -4.738 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.594 22.785 -5.058 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -3.771 23.266 -3.588 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -3.880 24.941 -6.151 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.884 25.210 -4.740 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -3.006 25.871 -3.378 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -1.843 25.132 -4.461 1.00 1.79 H new ATOM 0 HE ARG A 147 -3.233 27.751 -4.902 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -0.278 27.084 -5.409 1.00 3.37 H new ATOM 0 HH12 ARG A 147 -0.234 27.071 -7.176 1.00 3.37 H new ATOM 0 HH21 ARG A 147 -3.704 26.813 -7.504 1.00 3.10 H new ATOM 0 HH22 ARG A 147 -2.158 26.919 -8.352 1.00 3.10 H new ATOM 898 N ILE A 148 -1.438 20.852 -4.183 1.00 0.49 N ATOM 899 CA ILE A 148 -1.314 19.389 -3.900 1.00 0.44 C ATOM 900 C ILE A 148 -1.661 19.114 -2.433 1.00 0.46 C ATOM 901 O ILE A 148 -1.174 19.779 -1.538 1.00 0.63 O ATOM 902 CB ILE A 148 0.149 19.048 -4.199 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.430 19.262 -5.688 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.422 17.586 -3.861 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.718 18.527 -6.083 1.00 0.63 C ATOM 0 H ILE A 148 -0.761 21.443 -3.702 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.992 18.784 -4.502 1.00 0.44 H new ATOM 0 HB ILE A 148 0.790 19.693 -3.597 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.407 18.894 -6.282 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.528 20.327 -5.900 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.464 17.351 -4.076 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.222 17.414 -2.803 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.225 16.947 -4.461 1.00 0.47 H new ATOM 0 HD11 ILE A 148 1.915 18.682 -7.144 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.552 18.915 -5.499 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.603 17.461 -5.887 1.00 0.63 H new ATOM 917 N ASP A 149 -2.509 18.147 -2.183 1.00 0.48 N ATOM 918 CA ASP A 149 -2.903 17.833 -0.776 1.00 0.53 C ATOM 919 C ASP A 149 -2.551 16.378 -0.417 1.00 0.53 C ATOM 920 O ASP A 149 -2.231 15.574 -1.275 1.00 0.63 O ATOM 921 CB ASP A 149 -4.421 18.054 -0.753 1.00 0.58 C ATOM 922 CG ASP A 149 -4.954 17.883 0.670 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.794 18.800 1.456 1.00 1.65 O ATOM 924 OD2 ASP A 149 -5.510 16.834 0.949 1.00 1.84 O ATOM 0 H ASP A 149 -2.946 17.561 -2.894 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.381 18.454 -0.048 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.657 19.053 -1.121 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.910 17.345 -1.421 1.00 0.58 H new ATOM 929 N TYR A 150 -2.614 16.042 0.851 1.00 0.58 N ATOM 930 CA TYR A 150 -2.291 14.645 1.295 1.00 0.60 C ATOM 931 C TYR A 150 -3.183 13.623 0.577 1.00 0.59 C ATOM 932 O TYR A 150 -2.740 12.543 0.230 1.00 0.63 O ATOM 933 CB TYR A 150 -2.576 14.631 2.800 1.00 0.73 C ATOM 934 CG TYR A 150 -1.742 13.562 3.467 1.00 0.72 C ATOM 935 CD1 TYR A 150 -2.207 12.242 3.522 1.00 1.22 C ATOM 936 CD2 TYR A 150 -0.506 13.892 4.033 1.00 1.15 C ATOM 937 CE1 TYR A 150 -1.435 11.252 4.144 1.00 1.56 C ATOM 938 CE2 TYR A 150 0.266 12.903 4.656 1.00 1.43 C ATOM 939 CZ TYR A 150 -0.197 11.583 4.711 1.00 1.48 C ATOM 940 OH TYR A 150 0.566 10.610 5.325 1.00 1.96 O ATOM 0 H TYR A 150 -2.877 16.679 1.603 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.260 14.377 1.065 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -2.348 15.606 3.232 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.635 14.443 2.978 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -3.161 11.987 3.085 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -0.147 14.910 3.990 1.00 1.15 H new ATOM 0 HE1 TYR A 150 -1.794 10.234 4.186 1.00 1.56 H new ATOM 0 HE2 TYR A 150 1.219 13.159 5.094 1.00 1.43 H new ATOM 0 HH TYR A 150 -0.023 9.942 5.733 1.00 1.96 H new ATOM 950 N ASP A 151 -4.432 13.958 0.353 1.00 0.64 N ATOM 951 CA ASP A 151 -5.362 13.014 -0.346 1.00 0.70 C ATOM 952 C ASP A 151 -4.804 12.628 -1.723 1.00 0.63 C ATOM 953 O ASP A 151 -4.795 11.468 -2.094 1.00 0.77 O ATOM 954 CB ASP A 151 -6.679 13.786 -0.496 1.00 0.79 C ATOM 955 CG ASP A 151 -7.647 13.358 0.606 1.00 1.24 C ATOM 956 OD1 ASP A 151 -7.524 13.870 1.705 1.00 1.90 O ATOM 957 OD2 ASP A 151 -8.492 12.523 0.333 1.00 1.83 O ATOM 0 H ASP A 151 -4.849 14.848 0.625 1.00 0.64 H new ATOM 0 HA ASP A 151 -5.494 12.086 0.210 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.493 14.858 -0.436 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -7.117 13.593 -1.475 1.00 0.79 H new ATOM 962 N GLU A 152 -4.331 13.589 -2.480 1.00 0.54 N ATOM 963 CA GLU A 152 -3.768 13.275 -3.832 1.00 0.56 C ATOM 964 C GLU A 152 -2.338 12.728 -3.707 1.00 0.52 C ATOM 965 O GLU A 152 -1.839 12.063 -4.598 1.00 0.65 O ATOM 966 CB GLU A 152 -3.778 14.610 -4.585 1.00 0.60 C ATOM 967 CG GLU A 152 -5.187 14.879 -5.124 1.00 0.77 C ATOM 968 CD GLU A 152 -5.261 16.294 -5.702 1.00 0.72 C ATOM 969 OE1 GLU A 152 -5.384 17.227 -4.926 1.00 1.40 O ATOM 970 OE2 GLU A 152 -5.195 16.425 -6.914 1.00 1.17 O ATOM 0 H GLU A 152 -4.310 14.575 -2.221 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.346 12.511 -4.352 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.471 15.417 -3.920 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -3.062 14.583 -5.406 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.437 14.149 -5.894 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.920 14.764 -4.325 1.00 0.77 H new ATOM 977 N PHE A 153 -1.675 13.001 -2.608 1.00 0.46 N ATOM 978 CA PHE A 153 -0.277 12.500 -2.420 1.00 0.46 C ATOM 979 C PHE A 153 -0.245 10.966 -2.345 1.00 0.50 C ATOM 980 O PHE A 153 0.702 10.343 -2.784 1.00 0.64 O ATOM 981 CB PHE A 153 0.184 13.106 -1.094 1.00 0.49 C ATOM 982 CG PHE A 153 1.672 12.908 -0.940 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.545 13.303 -1.964 1.00 0.52 C ATOM 984 CD2 PHE A 153 2.179 12.323 0.226 1.00 0.62 C ATOM 985 CE1 PHE A 153 3.922 13.110 -1.816 1.00 0.61 C ATOM 986 CE2 PHE A 153 3.556 12.130 0.372 1.00 0.73 C ATOM 987 CZ PHE A 153 4.428 12.522 -0.650 1.00 0.68 C ATOM 0 H PHE A 153 -2.043 13.551 -1.832 1.00 0.46 H new ATOM 0 HA PHE A 153 0.367 12.782 -3.253 1.00 0.46 H new ATOM 0 HB2 PHE A 153 -0.057 14.169 -1.064 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.344 12.636 -0.264 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.155 13.755 -2.864 1.00 0.52 H new ATOM 0 HD2 PHE A 153 1.506 12.020 1.014 1.00 0.62 H new ATOM 0 HE1 PHE A 153 4.597 13.415 -2.602 1.00 0.61 H new ATOM 0 HE2 PHE A 153 3.946 11.679 1.272 1.00 0.73 H new ATOM 0 HZ PHE A 153 5.492 12.371 -0.539 1.00 0.68 H new ATOM 997 N LEU A 154 -1.266 10.357 -1.793 1.00 0.53 N ATOM 998 CA LEU A 154 -1.292 8.861 -1.689 1.00 0.62 C ATOM 999 C LEU A 154 -1.255 8.221 -3.083 1.00 0.65 C ATOM 1000 O LEU A 154 -0.578 7.234 -3.301 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.610 8.534 -0.973 1.00 0.75 C ATOM 1002 CG LEU A 154 -2.349 8.313 0.522 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -1.472 7.073 0.712 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -1.634 9.534 1.111 1.00 1.20 C ATOM 0 H LEU A 154 -2.084 10.830 -1.409 1.00 0.53 H new ATOM 0 HA LEU A 154 -0.429 8.473 -1.149 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -3.321 9.349 -1.111 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -3.059 7.642 -1.409 1.00 0.75 H new ATOM 0 HG LEU A 154 -3.301 8.170 1.033 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -1.287 6.917 1.775 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -1.981 6.201 0.300 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -0.523 7.216 0.196 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -1.451 9.371 2.173 1.00 1.20 H new ATOM 0 HD22 LEU A 154 -0.684 9.682 0.598 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -2.258 10.418 0.981 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.966 8.784 -4.027 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.961 8.221 -5.413 1.00 0.81 C ATOM 1018 C GLU A 155 -0.697 8.664 -6.167 1.00 0.76 C ATOM 1019 O GLU A 155 -0.342 8.096 -7.182 1.00 0.90 O ATOM 1020 CB GLU A 155 -3.212 8.801 -6.077 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.990 7.684 -6.779 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.208 7.187 -7.998 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.230 7.867 -9.010 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -2.601 6.134 -7.899 1.00 2.77 O ATOM 0 H GLU A 155 -2.550 9.610 -3.898 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.963 7.131 -5.415 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.843 9.282 -5.329 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.930 9.569 -6.797 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.163 6.860 -6.087 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -4.969 8.051 -7.089 1.00 1.41 H new ATOM 1031 N PHE A 156 -0.018 9.673 -5.678 1.00 0.66 N ATOM 1032 CA PHE A 156 1.219 10.153 -6.360 1.00 0.77 C ATOM 1033 C PHE A 156 2.448 9.403 -5.830 1.00 0.71 C ATOM 1034 O PHE A 156 3.249 8.903 -6.595 1.00 0.88 O ATOM 1035 CB PHE A 156 1.307 11.646 -6.020 1.00 0.84 C ATOM 1036 CG PHE A 156 2.742 12.110 -6.122 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.272 12.481 -7.362 1.00 1.49 C ATOM 1038 CD2 PHE A 156 3.543 12.160 -4.975 1.00 1.09 C ATOM 1039 CE1 PHE A 156 4.601 12.905 -7.458 1.00 1.72 C ATOM 1040 CE2 PHE A 156 4.873 12.584 -5.071 1.00 1.31 C ATOM 1041 CZ PHE A 156 5.401 12.958 -6.313 1.00 1.53 C ATOM 0 H PHE A 156 -0.270 10.185 -4.833 1.00 0.66 H new ATOM 0 HA PHE A 156 1.188 9.982 -7.436 1.00 0.77 H new ATOM 0 HB2 PHE A 156 0.680 12.221 -6.701 1.00 0.84 H new ATOM 0 HB3 PHE A 156 0.929 11.822 -5.013 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.654 12.440 -8.247 1.00 1.49 H new ATOM 0 HD2 PHE A 156 3.135 11.872 -4.017 1.00 1.09 H new ATOM 0 HE1 PHE A 156 5.009 13.191 -8.416 1.00 1.72 H new ATOM 0 HE2 PHE A 156 5.492 12.623 -4.187 1.00 1.31 H new ATOM 0 HZ PHE A 156 6.427 13.288 -6.386 1.00 1.53 H new ATOM 1051 N MET A 157 2.604 9.328 -4.527 1.00 0.61 N ATOM 1052 CA MET A 157 3.788 8.614 -3.948 1.00 0.69 C ATOM 1053 C MET A 157 3.822 7.147 -4.423 1.00 0.83 C ATOM 1054 O MET A 157 4.849 6.502 -4.371 1.00 1.17 O ATOM 1055 CB MET A 157 3.618 8.737 -2.417 1.00 0.84 C ATOM 1056 CG MET A 157 3.630 7.360 -1.742 1.00 0.92 C ATOM 1057 SD MET A 157 5.337 6.787 -1.528 1.00 1.56 S ATOM 1058 CE MET A 157 5.950 8.163 -0.525 1.00 0.90 C ATOM 0 H MET A 157 1.964 9.730 -3.842 1.00 0.61 H new ATOM 0 HA MET A 157 4.738 9.042 -4.269 1.00 0.69 H new ATOM 0 HB2 MET A 157 4.420 9.352 -2.008 1.00 0.84 H new ATOM 0 HB3 MET A 157 2.681 9.246 -2.193 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.133 7.417 -0.774 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.071 6.645 -2.346 1.00 0.92 H new ATOM 0 HE1 MET A 157 6.593 8.799 -1.134 1.00 0.90 H new ATOM 0 HE2 MET A 157 5.107 8.747 -0.155 1.00 0.90 H new ATOM 0 HE3 MET A 157 6.519 7.773 0.319 1.00 0.90 H new ATOM 1068 N LYS A 158 2.707 6.629 -4.891 1.00 0.86 N ATOM 1069 CA LYS A 158 2.658 5.214 -5.382 1.00 1.07 C ATOM 1070 C LYS A 158 3.823 4.920 -6.351 1.00 1.36 C ATOM 1071 O LYS A 158 4.348 3.824 -6.372 1.00 1.73 O ATOM 1072 CB LYS A 158 1.283 5.100 -6.074 1.00 1.28 C ATOM 1073 CG LYS A 158 1.399 4.431 -7.450 1.00 1.66 C ATOM 1074 CD LYS A 158 1.474 5.510 -8.537 1.00 2.24 C ATOM 1075 CE LYS A 158 0.250 5.406 -9.455 1.00 2.85 C ATOM 1076 NZ LYS A 158 -0.240 6.805 -9.611 1.00 3.52 N1+ ATOM 0 H LYS A 158 1.822 7.132 -4.953 1.00 0.86 H new ATOM 0 HA LYS A 158 2.769 4.485 -4.579 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.604 4.524 -5.445 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.848 6.093 -6.187 1.00 1.28 H new ATOM 0 HG2 LYS A 158 2.287 3.801 -7.486 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.541 3.782 -7.625 1.00 1.66 H new ATOM 0 HD2 LYS A 158 1.514 6.498 -8.079 1.00 2.24 H new ATOM 0 HD3 LYS A 158 2.388 5.391 -9.119 1.00 2.24 H new ATOM 0 HE2 LYS A 158 0.516 4.972 -10.419 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -0.517 4.766 -9.018 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -1.024 6.824 -10.294 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -0.572 7.161 -8.692 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 0.534 7.407 -9.956 1.00 3.52 H new