ATOM 22 N ASP A 2 -10.190 -3.211 4.195 1.00 -0.46 N ATOM 23 CA ASP A 2 -9.518 -1.986 3.758 1.00 0.04 C ATOM 24 C ASP A 2 -10.552 -0.880 3.736 1.00 0.62 C ATOM 25 O ASP A 2 -11.701 -1.161 4.036 1.00 -0.50 O ATOM 26 CB ASP A 2 -8.781 -2.253 2.420 1.00 -0.40 C ATOM 27 CG ASP A 2 -7.687 -1.248 2.145 1.00 0.71 C ATOM 28 OD1 ASP A 2 -7.966 -0.027 2.255 1.00 -0.72 O ATOM 29 OD2 ASP A 2 -6.541 -1.657 1.822 1.00 -0.72 O ATOM 30 H ASP A 2 -10.742 -3.692 3.520 1.00 0.25 H ATOM 31 HA ASP A 2 -8.759 -1.672 4.488 1.00 0.05 H ATOM 32 HB2 ASP A 2 -8.312 -3.248 2.481 1.00 0.07 H ATOM 33 HB3 ASP A 2 -9.509 -2.271 1.597 1.00 0.07 H ATOM 34 N CYS A 3 -10.187 0.387 3.436 1.00 -0.46 N ATOM 35 CA CYS A 3 -11.085 1.499 3.735 1.00 0.04 C ATOM 36 C CYS A 3 -11.416 1.472 5.221 1.00 0.62 C ATOM 37 O CYS A 3 -12.499 1.888 5.599 1.00 -0.50 O ATOM 38 CB CYS A 3 -12.353 1.510 2.835 1.00 -0.10 C ATOM 39 SG CYS A 3 -12.026 1.670 1.044 1.00 0.82 S ATOM 40 H CYS A 3 -9.250 0.596 3.150 1.00 0.25 H ATOM 41 HA CYS A 3 -10.560 2.455 3.562 1.00 0.05 H ATOM 42 HB2 CYS A 3 -12.966 0.611 2.988 1.00 0.05 H ATOM 43 HB3 CYS A 3 -12.972 2.381 3.102 1.00 0.05 H ATOM 44 N GLY A 4 -10.492 0.981 6.085 1.00 -0.46 N ATOM 45 CA GLY A 4 -10.753 0.942 7.523 1.00 0.04 C ATOM 46 C GLY A 4 -9.578 0.384 8.309 1.00 0.62 C ATOM 47 O GLY A 4 -8.790 1.157 8.831 1.00 -0.50 O ATOM 48 H GLY A 4 -9.614 0.636 5.766 1.00 0.25 H ATOM 49 HA2 GLY A 4 -10.964 1.963 7.879 1.00 0.03 H ATOM 50 HA3 GLY A 4 -11.644 0.325 7.719 1.00 0.03 H ATOM 51 N HIS A 5 -9.422 -0.958 8.405 1.00 -0.46 N ATOM 52 CA HIS A 5 -8.316 -1.515 9.192 1.00 0.04 C ATOM 53 C HIS A 5 -7.007 -1.417 8.440 1.00 0.62 C ATOM 54 O HIS A 5 -6.032 -0.950 9.010 1.00 -0.50 O ATOM 55 CB HIS A 5 -8.577 -2.989 9.603 1.00 -0.10 C ATOM 56 CG HIS A 5 -7.344 -3.616 10.205 1.00 0.06 C ATOM 57 ND1 HIS A 5 -6.647 -3.154 11.202 1.00 -0.06 N ATOM 58 CD2 HIS A 5 -6.748 -4.748 9.822 1.00 -0.04 C ATOM 59 CE1 HIS A 5 -5.633 -3.920 11.479 1.00 0.11 C ATOM 60 NE2 HIS A 5 -5.727 -4.889 10.616 1.00 -0.06 N ATOM 61 H HIS A 5 -10.044 -1.580 7.922 1.00 0.25 H ATOM 62 HA HIS A 5 -8.219 -0.936 10.126 1.00 0.05 H ATOM 63 HB2 HIS A 5 -9.405 -3.035 10.329 1.00 0.09 H ATOM 64 HB3 HIS A 5 -8.868 -3.578 8.722 1.00 0.09 H ATOM 65 HD1 HIS A 5 -6.866 -2.285 11.711 1.00 0.31 H ATOM 66 HD2 HIS A 5 -7.055 -5.411 9.013 1.00 0.15 H ATOM 67 HE1 HIS A 5 -4.878 -3.784 12.255 1.00 0.16 H ATOM 68 HE2 HIS A 5 -5.065 -5.681 10.559 1.00 0.31 H ATOM 69 N VAL A 6 -6.946 -1.845 7.160 1.00 -0.46 N ATOM 70 CA VAL A 6 -5.698 -1.675 6.409 1.00 0.04 C ATOM 71 C VAL A 6 -5.409 -0.189 6.405 1.00 0.62 C ATOM 72 O VAL A 6 -4.311 0.212 6.759 1.00 -0.50 O ATOM 73 CB VAL A 6 -5.715 -2.216 4.947 1.00 -0.01 C ATOM 74 CG1 VAL A 6 -4.310 -2.145 4.291 1.00 -0.09 C ATOM 75 CG2 VAL A 6 -6.227 -3.679 4.842 1.00 -0.09 C ATOM 76 H VAL A 6 -7.762 -2.221 6.721 1.00 0.25 H ATOM 77 HA VAL A 6 -4.894 -2.191 6.952 1.00 0.05 H ATOM 78 HB VAL A 6 -6.380 -1.564 4.367 1.00 0.02 H ATOM 79 HG11 VAL A 6 -3.822 -1.178 4.469 1.00 0.03 H ATOM 80 HG12 VAL A 6 -3.675 -2.951 4.682 1.00 0.03 H ATOM 81 HG13 VAL A 6 -4.399 -2.284 3.205 1.00 0.03 H ATOM 82 HG21 VAL A 6 -6.083 -4.071 3.823 1.00 0.03 H ATOM 83 HG22 VAL A 6 -5.680 -4.323 5.546 1.00 0.03 H ATOM 84 HG23 VAL A 6 -7.297 -3.741 5.064 1.00 0.03 H ATOM 85 N ASP A 7 -6.416 0.633 6.027 1.00 -0.46 N ATOM 86 CA ASP A 7 -6.247 2.084 6.033 1.00 0.04 C ATOM 87 C ASP A 7 -5.555 2.537 7.303 1.00 0.62 C ATOM 88 O ASP A 7 -4.554 3.231 7.222 1.00 -0.50 O ATOM 89 CB ASP A 7 -7.607 2.813 5.864 1.00 -0.40 C ATOM 90 CG ASP A 7 -7.422 4.304 5.881 1.00 0.71 C ATOM 91 OD1 ASP A 7 -6.705 4.826 4.988 1.00 -0.72 O ATOM 92 OD2 ASP A 7 -7.992 4.974 6.787 1.00 -0.72 O ATOM 93 H ASP A 7 -7.285 0.256 5.714 1.00 0.25 H ATOM 94 HA ASP A 7 -5.635 2.337 5.155 1.00 0.05 H ATOM 95 HB2 ASP A 7 -8.073 2.536 4.906 1.00 0.07 H ATOM 96 HB3 ASP A 7 -8.287 2.531 6.680 1.00 0.07 H ATOM 97 N SER A 8 -6.043 2.139 8.499 1.00 -0.46 N ATOM 98 CA SER A 8 -5.367 2.555 9.731 1.00 0.04 C ATOM 99 C SER A 8 -3.868 2.351 9.639 1.00 0.62 C ATOM 100 O SER A 8 -3.124 3.232 10.043 1.00 -0.50 O ATOM 101 CB SER A 8 -5.898 1.785 10.970 1.00 0.02 C ATOM 102 OG SER A 8 -5.340 2.302 12.191 1.00 -0.55 O ATOM 103 H SER A 8 -6.873 1.578 8.553 1.00 0.25 H ATOM 104 HA SER A 8 -5.576 3.628 9.882 1.00 0.05 H ATOM 105 HB2 SER A 8 -6.990 1.912 11.035 1.00 0.12 H ATOM 106 HB3 SER A 8 -5.682 0.708 10.881 1.00 0.12 H ATOM 107 HG SER A 8 -4.393 2.217 12.244 1.00 0.31 H ATOM 108 N LEU A 9 -3.401 1.197 9.110 1.00 -0.46 N ATOM 109 CA LEU A 9 -1.959 0.963 8.993 1.00 0.04 C ATOM 110 C LEU A 9 -1.329 1.704 7.824 1.00 0.62 C ATOM 111 O LEU A 9 -0.124 1.904 7.866 1.00 -0.50 O ATOM 112 CB LEU A 9 -1.634 -0.552 8.869 1.00 -0.06 C ATOM 113 CG LEU A 9 -2.208 -1.476 9.987 1.00 -0.01 C ATOM 114 CD1 LEU A 9 -1.581 -2.894 9.849 1.00 -0.11 C ATOM 115 CD2 LEU A 9 -1.947 -0.925 11.414 1.00 -0.11 C ATOM 116 H LEU A 9 -4.036 0.509 8.750 1.00 0.25 H ATOM 117 HA LEU A 9 -1.455 1.339 9.899 1.00 0.05 H ATOM 118 HB2 LEU A 9 -2.061 -0.907 7.923 1.00 0.03 H ATOM 119 HB3 LEU A 9 -0.538 -0.669 8.824 1.00 0.03 H ATOM 120 HG LEU A 9 -3.300 -1.571 9.855 1.00 0.03 H ATOM 121 HD11 LEU A 9 -1.680 -3.269 8.819 1.00 0.03 H ATOM 122 HD12 LEU A 9 -0.509 -2.865 10.097 1.00 0.03 H ATOM 123 HD13 LEU A 9 -2.076 -3.606 10.527 1.00 0.03 H ATOM 124 HD21 LEU A 9 -2.515 0.003 11.586 1.00 0.03 H ATOM 125 HD22 LEU A 9 -2.270 -1.658 12.170 1.00 0.03 H ATOM 126 HD23 LEU A 9 -0.874 -0.724 11.553 1.00 0.03 H ATOM 127 N VAL A 10 -2.070 2.131 6.771 1.00 -0.46 N ATOM 128 CA VAL A 10 -1.443 2.924 5.705 1.00 0.04 C ATOM 129 C VAL A 10 -1.228 4.344 6.183 1.00 0.62 C ATOM 130 O VAL A 10 -0.235 4.937 5.797 1.00 -0.50 O ATOM 131 CB VAL A 10 -2.166 2.967 4.319 1.00 -0.01 C ATOM 132 CG1 VAL A 10 -2.731 1.578 3.924 1.00 -0.09 C ATOM 133 CG2 VAL A 10 -3.255 4.073 4.210 1.00 -0.09 C ATOM 134 H VAL A 10 -3.055 1.968 6.748 1.00 0.25 H ATOM 135 HA VAL A 10 -0.461 2.465 5.502 1.00 0.05 H ATOM 136 HB VAL A 10 -1.411 3.227 3.554 1.00 0.02 H ATOM 137 HG11 VAL A 10 -1.934 0.820 3.941 1.00 0.03 H ATOM 138 HG12 VAL A 10 -3.531 1.265 4.600 1.00 0.03 H ATOM 139 HG13 VAL A 10 -3.163 1.614 2.916 1.00 0.03 H ATOM 140 HG21 VAL A 10 -2.811 5.080 4.232 1.00 0.03 H ATOM 141 HG22 VAL A 10 -3.806 3.969 3.265 1.00 0.03 H ATOM 142 HG23 VAL A 10 -3.978 4.008 5.027 1.00 0.03 H ATOM 143 N ARG A 11 -2.132 4.922 7.007 1.00 -0.46 N ATOM 144 CA ARG A 11 -1.981 6.325 7.402 1.00 0.04 C ATOM 145 C ARG A 11 -0.547 6.696 7.761 1.00 0.62 C ATOM 146 O ARG A 11 -0.049 7.623 7.141 1.00 -0.50 O ATOM 147 CB ARG A 11 -2.972 6.805 8.505 1.00 -0.08 C ATOM 148 CG ARG A 11 -4.490 6.612 8.202 1.00 -0.10 C ATOM 149 CD ARG A 11 -4.982 7.254 6.873 1.00 -0.23 C ATOM 150 NE ARG A 11 -6.427 7.062 6.702 1.00 -0.32 N ATOM 151 CZ ARG A 11 -7.123 7.536 5.690 1.00 0.76 C ATOM 152 NH1 ARG A 11 -6.592 8.268 4.743 1.00 -0.62 N ATOM 153 NH2 ARG A 11 -8.404 7.268 5.616 1.00 -0.62 N ATOM 154 H ARG A 11 -2.937 4.413 7.313 1.00 0.25 H ATOM 155 HA ARG A 11 -2.222 6.910 6.502 1.00 0.05 H ATOM 156 HB2 ARG A 11 -2.755 6.271 9.441 1.00 0.06 H ATOM 157 HB3 ARG A 11 -2.790 7.879 8.681 1.00 0.06 H ATOM 158 HG2 ARG A 11 -4.751 5.544 8.199 1.00 0.07 H ATOM 159 HG3 ARG A 11 -5.057 7.073 9.029 1.00 0.07 H ATOM 160 HD2 ARG A 11 -4.718 8.324 6.900 1.00 0.13 H ATOM 161 HD3 ARG A 11 -4.485 6.760 6.023 1.00 0.13 H ATOM 162 HE ARG A 11 -6.918 6.490 7.409 1.00 0.27 H ATOM 163 HH11 ARG A 11 -5.597 8.505 4.750 1.00 0.36 H ATOM 164 HH12 ARG A 11 -7.161 8.619 3.961 1.00 0.36 H ATOM 165 HH21 ARG A 11 -8.857 6.665 6.321 1.00 0.36 H ATOM 166 HH22 ARG A 11 -8.982 7.620 4.841 1.00 0.36 H ATOM 167 N PRO A 12 0.199 6.050 8.697 1.00 -0.23 N ATOM 168 CA PRO A 12 1.581 6.465 8.927 1.00 0.04 C ATOM 169 C PRO A 12 2.453 6.305 7.700 1.00 0.53 C ATOM 170 O PRO A 12 3.421 7.036 7.565 1.00 -0.50 O ATOM 171 CB PRO A 12 1.989 5.479 10.052 1.00 -0.12 C ATOM 172 CG PRO A 12 1.039 4.273 9.870 1.00 -0.12 C ATOM 173 CD PRO A 12 -0.303 4.940 9.497 1.00 -0.01 C ATOM 174 HA PRO A 12 1.626 7.509 9.279 1.00 0.05 H ATOM 175 HB2 PRO A 12 3.051 5.195 10.006 1.00 0.06 H ATOM 176 HB3 PRO A 12 1.787 5.934 11.037 1.00 0.06 H ATOM 177 HG2 PRO A 12 1.394 3.647 9.039 1.00 0.06 H ATOM 178 HG3 PRO A 12 0.958 3.643 10.768 1.00 0.06 H ATOM 179 HD2 PRO A 12 -0.959 4.228 8.982 1.00 0.06 H ATOM 180 HD3 PRO A 12 -0.795 5.318 10.407 1.00 0.06 H ATOM 181 N CYS A 13 2.145 5.363 6.780 1.00 -0.46 N ATOM 182 CA CYS A 13 2.954 5.232 5.569 1.00 0.04 C ATOM 183 C CYS A 13 2.879 6.497 4.737 1.00 0.62 C ATOM 184 O CYS A 13 3.882 6.875 4.151 1.00 -0.50 O ATOM 185 CB CYS A 13 2.507 4.020 4.710 1.00 -0.10 C ATOM 186 SG CYS A 13 2.442 2.489 5.699 1.00 0.82 S ATOM 187 H CYS A 13 1.328 4.797 6.879 1.00 0.25 H ATOM 188 HA CYS A 13 4.001 5.068 5.861 1.00 0.05 H ATOM 189 HB2 CYS A 13 1.520 4.189 4.255 1.00 0.05 H ATOM 190 HB3 CYS A 13 3.231 3.867 3.902 1.00 0.05 H ATOM 191 N LEU A 14 1.697 7.152 4.680 1.00 -0.46 N ATOM 192 CA LEU A 14 1.509 8.311 3.802 1.00 0.04 C ATOM 193 C LEU A 14 2.668 9.297 3.790 1.00 0.62 C ATOM 194 O LEU A 14 2.896 9.896 2.751 1.00 -0.50 O ATOM 195 CB LEU A 14 0.191 9.078 4.106 1.00 -0.06 C ATOM 196 CG LEU A 14 -1.125 8.306 3.759 1.00 -0.01 C ATOM 197 CD1 LEU A 14 -2.346 9.140 4.235 1.00 -0.11 C ATOM 198 CD2 LEU A 14 -1.280 7.992 2.240 1.00 -0.11 C ATOM 199 H LEU A 14 0.913 6.812 5.202 1.00 0.25 H ATOM 200 HA LEU A 14 1.401 7.925 2.784 1.00 0.05 H ATOM 201 HB2 LEU A 14 0.207 9.345 5.175 1.00 0.03 H ATOM 202 HB3 LEU A 14 0.186 10.019 3.533 1.00 0.03 H ATOM 203 HG LEU A 14 -1.157 7.346 4.297 1.00 0.03 H ATOM 204 HD11 LEU A 14 -2.286 9.341 5.317 1.00 0.03 H ATOM 205 HD12 LEU A 14 -2.389 10.101 3.699 1.00 0.03 H ATOM 206 HD13 LEU A 14 -3.277 8.589 4.041 1.00 0.03 H ATOM 207 HD21 LEU A 14 -2.293 7.617 2.024 1.00 0.03 H ATOM 208 HD22 LEU A 14 -1.114 8.898 1.640 1.00 0.03 H ATOM 209 HD23 LEU A 14 -0.576 7.218 1.906 1.00 0.03 H ATOM 210 N SER A 15 3.420 9.511 4.895 1.00 -0.46 N ATOM 211 CA SER A 15 4.463 10.546 4.878 1.00 0.04 C ATOM 212 C SER A 15 5.503 10.347 3.784 1.00 0.62 C ATOM 213 O SER A 15 5.449 11.045 2.783 1.00 -0.50 O ATOM 214 CB SER A 15 5.132 10.733 6.270 1.00 0.02 C ATOM 215 OG SER A 15 4.232 11.346 7.210 1.00 -0.55 O ATOM 216 H SER A 15 3.241 9.000 5.736 1.00 0.25 H ATOM 217 HA SER A 15 3.963 11.507 4.667 1.00 0.05 H ATOM 218 HB2 SER A 15 5.494 9.774 6.675 1.00 0.12 H ATOM 219 HB3 SER A 15 5.994 11.413 6.174 1.00 0.12 H ATOM 220 HG SER A 15 3.451 10.830 7.381 1.00 0.31 H ATOM 221 N TYR A 16 6.479 9.419 3.930 1.00 -0.46 N ATOM 222 CA TYR A 16 7.501 9.260 2.884 1.00 0.04 C ATOM 223 C TYR A 16 6.817 8.867 1.592 1.00 0.62 C ATOM 224 O TYR A 16 7.151 9.390 0.542 1.00 -0.50 O ATOM 225 CB TYR A 16 8.566 8.208 3.312 1.00 -0.10 C ATOM 226 CG TYR A 16 9.712 7.896 2.325 1.00 -0.03 C ATOM 227 CD1 TYR A 16 10.023 8.682 1.209 1.00 0.00 C ATOM 228 CD2 TYR A 16 10.495 6.760 2.562 1.00 0.00 C ATOM 229 CE1 TYR A 16 11.037 8.311 0.322 1.00 -0.26 C ATOM 230 CE2 TYR A 16 11.505 6.375 1.676 1.00 -0.26 C ATOM 231 CZ TYR A 16 11.779 7.145 0.546 1.00 0.46 C ATOM 232 OH TYR A 16 12.784 6.735 -0.336 1.00 -0.53 O ATOM 233 H TYR A 16 6.510 8.829 4.737 1.00 0.25 H ATOM 234 HA TYR A 16 7.994 10.236 2.758 1.00 0.05 H ATOM 235 HB2 TYR A 16 9.033 8.535 4.253 1.00 0.04 H ATOM 236 HB3 TYR A 16 8.023 7.274 3.510 1.00 0.04 H ATOM 237 HD1 TYR A 16 9.491 9.599 1.010 1.00 0.06 H ATOM 238 HD2 TYR A 16 10.329 6.161 3.446 1.00 0.06 H ATOM 239 HE1 TYR A 16 11.242 8.936 -0.541 1.00 0.10 H ATOM 240 HE2 TYR A 16 12.080 5.475 1.870 1.00 0.10 H ATOM 241 HH TYR A 16 13.014 7.402 -0.974 1.00 0.33 H ATOM 242 N VAL A 17 5.823 7.953 1.657 1.00 -0.46 N ATOM 243 CA VAL A 17 5.037 7.612 0.465 1.00 0.04 C ATOM 244 C VAL A 17 4.779 8.839 -0.381 1.00 0.62 C ATOM 245 O VAL A 17 5.134 8.839 -1.549 1.00 -0.50 O ATOM 246 CB VAL A 17 3.678 6.987 0.891 1.00 -0.01 C ATOM 247 CG1 VAL A 17 2.569 7.047 -0.196 1.00 -0.09 C ATOM 248 CG2 VAL A 17 3.864 5.529 1.378 1.00 -0.09 C ATOM 249 H VAL A 17 5.606 7.522 2.534 1.00 0.25 H ATOM 250 HA VAL A 17 5.595 6.885 -0.143 1.00 0.05 H ATOM 251 HB VAL A 17 3.330 7.588 1.733 1.00 0.02 H ATOM 252 HG11 VAL A 17 2.856 6.437 -1.061 1.00 0.03 H ATOM 253 HG12 VAL A 17 1.624 6.655 0.202 1.00 0.03 H ATOM 254 HG13 VAL A 17 2.370 8.074 -0.530 1.00 0.03 H ATOM 255 HG21 VAL A 17 4.594 5.440 2.194 1.00 0.03 H ATOM 256 HG22 VAL A 17 2.905 5.119 1.727 1.00 0.03 H ATOM 257 HG23 VAL A 17 4.231 4.939 0.532 1.00 0.03 H ATOM 258 N GLN A 18 4.165 9.901 0.190 1.00 -0.46 N ATOM 259 CA GLN A 18 3.931 11.098 -0.611 1.00 0.04 C ATOM 260 C GLN A 18 5.266 11.717 -0.958 1.00 0.62 C ATOM 261 O GLN A 18 5.528 11.976 -2.123 1.00 -0.50 O ATOM 262 CB GLN A 18 3.045 12.161 0.095 1.00 -0.10 C ATOM 263 CG GLN A 18 1.570 11.702 0.265 1.00 -0.10 C ATOM 264 CD GLN A 18 0.751 12.741 0.998 1.00 0.68 C ATOM 265 OE1 GLN A 18 1.117 13.905 1.011 1.00 -0.47 O ATOM 266 NE2 GLN A 18 -0.382 12.365 1.624 1.00 -0.87 N ATOM 267 H GLN A 18 3.908 9.901 1.159 1.00 0.25 H ATOM 268 HA GLN A 18 3.421 10.794 -1.535 1.00 0.05 H ATOM 269 HB2 GLN A 18 3.469 12.399 1.084 1.00 0.04 H ATOM 270 HB3 GLN A 18 3.054 13.083 -0.512 1.00 0.04 H ATOM 271 HG2 GLN A 18 1.114 11.550 -0.726 1.00 0.06 H ATOM 272 HG3 GLN A 18 1.534 10.747 0.807 1.00 0.06 H ATOM 273 HE21 GLN A 18 -0.684 11.415 1.625 1.00 0.34 H ATOM 274 HE22 GLN A 18 -0.925 13.054 2.103 1.00 0.34 H ATOM 275 N GLY A 19 6.113 11.960 0.066 1.00 -0.46 N ATOM 276 CA GLY A 19 7.403 12.607 -0.165 1.00 0.04 C ATOM 277 C GLY A 19 7.891 13.187 1.145 1.00 0.62 C ATOM 278 O GLY A 19 7.268 14.120 1.626 1.00 -0.50 O ATOM 279 H GLY A 19 5.879 11.676 1.001 1.00 0.25 H ATOM 280 HA2 GLY A 19 8.106 11.870 -0.583 1.00 0.03 H ATOM 281 HA3 GLY A 19 7.302 13.434 -0.886 1.00 0.03 H ATOM 282 N GLY A 20 8.968 12.648 1.761 1.00 -0.46 N ATOM 283 CA GLY A 20 9.347 13.089 3.103 1.00 0.04 C ATOM 284 C GLY A 20 10.181 12.044 3.810 1.00 0.62 C ATOM 285 O GLY A 20 10.432 11.013 3.204 1.00 -0.50 O ATOM 286 H GLY A 20 9.520 11.939 1.325 1.00 0.25 H ATOM 287 HA2 GLY A 20 9.908 14.032 3.027 1.00 0.03 H ATOM 288 HA3 GLY A 20 8.438 13.252 3.703 1.00 0.03 H ATOM 289 N PRO A 21 10.636 12.248 5.071 1.00 -0.23 N ATOM 290 CA PRO A 21 11.434 11.223 5.731 1.00 0.04 C ATOM 291 C PRO A 21 10.548 10.150 6.321 1.00 0.53 C ATOM 292 O PRO A 21 9.335 10.245 6.211 1.00 -0.50 O ATOM 293 CB PRO A 21 12.073 12.095 6.840 1.00 -0.12 C ATOM 294 CG PRO A 21 10.949 13.098 7.188 1.00 -0.12 C ATOM 295 CD PRO A 21 10.372 13.480 5.803 1.00 -0.01 C ATOM 296 HA PRO A 21 12.200 10.780 5.072 1.00 0.05 H ATOM 297 HB2 PRO A 21 12.418 11.518 7.713 1.00 0.06 H ATOM 298 HB3 PRO A 21 12.929 12.651 6.422 1.00 0.06 H ATOM 299 HG2 PRO A 21 10.179 12.578 7.781 1.00 0.06 H ATOM 300 HG3 PRO A 21 11.308 13.970 7.759 1.00 0.06 H ATOM 301 HD2 PRO A 21 9.305 13.743 5.879 1.00 0.06 H ATOM 302 HD3 PRO A 21 10.940 14.312 5.359 1.00 0.06 H ATOM 303 N GLY A 22 11.147 9.123 6.965 1.00 -0.46 N ATOM 304 CA GLY A 22 10.350 8.085 7.619 1.00 0.04 C ATOM 305 C GLY A 22 10.073 6.931 6.676 1.00 0.62 C ATOM 306 O GLY A 22 11.003 6.575 5.969 1.00 -0.50 O ATOM 307 H GLY A 22 12.146 9.044 6.995 1.00 0.25 H ATOM 308 HA2 GLY A 22 10.926 7.662 8.457 1.00 0.03 H ATOM 309 HA3 GLY A 22 9.456 8.541 8.064 1.00 0.03 H ATOM 310 N PRO A 23 8.878 6.285 6.625 1.00 -0.23 N ATOM 311 CA PRO A 23 7.720 6.708 7.405 1.00 0.04 C ATOM 312 C PRO A 23 7.920 6.351 8.859 1.00 0.53 C ATOM 313 O PRO A 23 8.965 5.816 9.194 1.00 -0.50 O ATOM 314 CB PRO A 23 6.641 5.809 6.759 1.00 -0.12 C ATOM 315 CG PRO A 23 7.421 4.519 6.413 1.00 -0.12 C ATOM 316 CD PRO A 23 8.737 5.074 5.827 1.00 -0.01 C ATOM 317 HA PRO A 23 7.452 7.768 7.267 1.00 0.05 H ATOM 318 HB2 PRO A 23 5.780 5.648 7.422 1.00 0.06 H ATOM 319 HB3 PRO A 23 6.287 6.271 5.821 1.00 0.06 H ATOM 320 HG2 PRO A 23 7.653 3.963 7.337 1.00 0.06 H ATOM 321 HG3 PRO A 23 6.886 3.857 5.713 1.00 0.06 H ATOM 322 HD2 PRO A 23 9.575 4.367 5.942 1.00 0.06 H ATOM 323 HD3 PRO A 23 8.596 5.319 4.768 1.00 0.06 H ATOM 324 N SER A 24 6.941 6.630 9.748 1.00 -0.46 N ATOM 325 CA SER A 24 7.137 6.294 11.158 1.00 0.04 C ATOM 326 C SER A 24 7.210 4.793 11.353 1.00 0.62 C ATOM 327 O SER A 24 6.764 4.049 10.492 1.00 -0.50 O ATOM 328 CB SER A 24 6.028 6.912 12.052 1.00 0.02 C ATOM 329 OG SER A 24 4.734 6.395 11.704 1.00 -0.55 O ATOM 330 H SER A 24 6.080 7.056 9.462 1.00 0.25 H ATOM 331 HA SER A 24 8.097 6.733 11.479 1.00 0.05 H ATOM 332 HB2 SER A 24 6.233 6.738 13.123 1.00 0.12 H ATOM 333 HB3 SER A 24 6.002 8.000 11.886 1.00 0.12 H ATOM 334 HG SER A 24 4.651 5.465 11.883 1.00 0.31 H ATOM 335 N GLY A 25 7.773 4.326 12.492 1.00 -0.46 N ATOM 336 CA GLY A 25 7.939 2.887 12.698 1.00 0.04 C ATOM 337 C GLY A 25 6.662 2.112 12.476 1.00 0.62 C ATOM 338 O GLY A 25 6.716 1.052 11.871 1.00 -0.50 O ATOM 339 H GLY A 25 8.131 4.950 13.190 1.00 0.25 H ATOM 340 HA2 GLY A 25 8.722 2.529 12.012 1.00 0.03 H ATOM 341 HA3 GLY A 25 8.270 2.676 13.728 1.00 0.03 H ATOM 342 N GLN A 26 5.505 2.618 12.960 1.00 -0.46 N ATOM 343 CA GLN A 26 4.248 1.884 12.786 1.00 0.04 C ATOM 344 C GLN A 26 4.094 1.406 11.360 1.00 0.62 C ATOM 345 O GLN A 26 3.725 0.262 11.154 1.00 -0.50 O ATOM 346 CB GLN A 26 3.019 2.761 13.156 1.00 -0.10 C ATOM 347 CG GLN A 26 1.686 1.963 13.100 1.00 -0.10 C ATOM 348 CD GLN A 26 0.479 2.824 13.393 1.00 0.68 C ATOM 349 OE1 GLN A 26 0.612 4.025 13.565 1.00 -0.47 O ATOM 350 NE2 GLN A 26 -0.731 2.233 13.447 1.00 -0.87 N ATOM 351 H GLN A 26 5.504 3.475 13.477 1.00 0.25 H ATOM 352 HA GLN A 26 4.279 1.009 13.458 1.00 0.05 H ATOM 353 HB2 GLN A 26 3.146 3.153 14.179 1.00 0.04 H ATOM 354 HB3 GLN A 26 2.970 3.616 12.464 1.00 0.04 H ATOM 355 HG2 GLN A 26 1.540 1.527 12.100 1.00 0.06 H ATOM 356 HG3 GLN A 26 1.721 1.143 13.833 1.00 0.06 H ATOM 357 HE21 GLN A 26 -0.834 1.249 13.311 1.00 0.34 H ATOM 358 HE22 GLN A 26 -1.539 2.793 13.631 1.00 0.34 H ATOM 359 N CYS A 27 4.376 2.254 10.345 1.00 -0.46 N ATOM 360 CA CYS A 27 4.276 1.776 8.968 1.00 0.04 C ATOM 361 C CYS A 27 5.357 0.756 8.690 1.00 0.62 C ATOM 362 O CYS A 27 5.051 -0.249 8.073 1.00 -0.50 O ATOM 363 CB CYS A 27 4.454 2.914 7.936 1.00 -0.10 C ATOM 364 SG CYS A 27 4.377 2.219 6.249 1.00 0.82 S ATOM 365 H CYS A 27 4.696 3.186 10.525 1.00 0.25 H ATOM 366 HA CYS A 27 3.279 1.327 8.812 1.00 0.05 H ATOM 367 HB2 CYS A 27 3.693 3.693 8.069 1.00 0.05 H ATOM 368 HB3 CYS A 27 5.442 3.364 8.085 1.00 0.05 H ATOM 369 N CYS A 28 6.624 0.995 9.097 1.00 -0.46 N ATOM 370 CA CYS A 28 7.687 0.033 8.785 1.00 0.04 C ATOM 371 C CYS A 28 7.331 -1.328 9.347 1.00 0.62 C ATOM 372 O CYS A 28 7.558 -2.320 8.673 1.00 -0.50 O ATOM 373 CB CYS A 28 9.050 0.530 9.334 1.00 -0.10 C ATOM 374 SG CYS A 28 10.485 -0.480 8.826 1.00 0.82 S ATOM 375 H CYS A 28 6.840 1.826 9.616 1.00 0.25 H ATOM 376 HA CYS A 28 7.760 -0.039 7.687 1.00 0.05 H ATOM 377 HB2 CYS A 28 9.239 1.558 8.986 1.00 0.05 H ATOM 378 HB3 CYS A 28 9.021 0.534 10.434 1.00 0.05 H ATOM 379 N ASP A 29 6.756 -1.400 10.568 1.00 -0.46 N ATOM 380 CA ASP A 29 6.216 -2.675 11.038 1.00 0.04 C ATOM 381 C ASP A 29 5.066 -3.057 10.129 1.00 0.62 C ATOM 382 O ASP A 29 5.044 -4.160 9.606 1.00 -0.50 O ATOM 383 CB ASP A 29 5.725 -2.581 12.507 1.00 -0.40 C ATOM 384 CG ASP A 29 5.059 -3.877 12.881 1.00 0.71 C ATOM 385 OD1 ASP A 29 3.865 -4.050 12.512 1.00 -0.72 O ATOM 386 OD2 ASP A 29 5.724 -4.730 13.526 1.00 -0.72 O ATOM 387 H ASP A 29 6.618 -0.578 11.125 1.00 0.25 H ATOM 388 HA ASP A 29 6.999 -3.450 10.986 1.00 0.05 H ATOM 389 HB2 ASP A 29 6.575 -2.377 13.176 1.00 0.07 H ATOM 390 HB3 ASP A 29 4.994 -1.766 12.631 1.00 0.07 H ATOM 391 N GLY A 30 4.105 -2.129 9.921 1.00 -0.46 N ATOM 392 CA GLY A 30 2.966 -2.408 9.054 1.00 0.04 C ATOM 393 C GLY A 30 3.394 -3.083 7.775 1.00 0.62 C ATOM 394 O GLY A 30 2.731 -4.019 7.370 1.00 -0.50 O ATOM 395 H GLY A 30 4.141 -1.241 10.380 1.00 0.25 H ATOM 396 HA2 GLY A 30 2.256 -3.044 9.605 1.00 0.03 H ATOM 397 HA3 GLY A 30 2.446 -1.477 8.776 1.00 0.03 H ATOM 398 N VAL A 31 4.487 -2.644 7.114 1.00 -0.46 N ATOM 399 CA VAL A 31 4.914 -3.281 5.861 1.00 0.04 C ATOM 400 C VAL A 31 4.811 -4.789 5.979 1.00 0.62 C ATOM 401 O VAL A 31 4.377 -5.429 5.033 1.00 -0.50 O ATOM 402 CB VAL A 31 6.350 -2.824 5.460 1.00 -0.01 C ATOM 403 CG1 VAL A 31 6.945 -3.731 4.351 1.00 -0.09 C ATOM 404 CG2 VAL A 31 6.359 -1.340 4.978 1.00 -0.09 C ATOM 405 H VAL A 31 5.008 -1.881 7.492 1.00 0.25 H ATOM 406 HA VAL A 31 4.231 -2.976 5.053 1.00 0.05 H ATOM 407 HB VAL A 31 6.997 -2.929 6.344 1.00 0.02 H ATOM 408 HG11 VAL A 31 7.967 -3.413 4.118 1.00 0.03 H ATOM 409 HG12 VAL A 31 6.997 -4.785 4.659 1.00 0.03 H ATOM 410 HG13 VAL A 31 6.335 -3.651 3.442 1.00 0.03 H ATOM 411 HG21 VAL A 31 7.371 -0.981 4.758 1.00 0.03 H ATOM 412 HG22 VAL A 31 5.787 -1.245 4.050 1.00 0.03 H ATOM 413 HG23 VAL A 31 5.921 -0.656 5.716 1.00 0.03 H ATOM 414 N LYS A 32 5.187 -5.374 7.139 1.00 -0.46 N ATOM 415 CA LYS A 32 5.028 -6.818 7.311 1.00 0.04 C ATOM 416 C LYS A 32 3.549 -7.149 7.405 1.00 0.62 C ATOM 417 O LYS A 32 3.049 -7.909 6.589 1.00 -0.50 O ATOM 418 CB LYS A 32 5.750 -7.373 8.576 1.00 -0.10 C ATOM 419 CG LYS A 32 7.302 -7.451 8.480 1.00 -0.16 C ATOM 420 CD LYS A 32 8.001 -6.070 8.337 1.00 -0.18 C ATOM 421 CE LYS A 32 9.554 -6.166 8.374 1.00 -0.04 C ATOM 422 NZ LYS A 32 10.097 -6.712 9.643 1.00 -0.14 N ATOM 423 H LYS A 32 5.502 -4.823 7.914 1.00 0.25 H ATOM 424 HA LYS A 32 5.448 -7.338 6.434 1.00 0.05 H ATOM 425 HB2 LYS A 32 5.474 -6.783 9.464 1.00 0.04 H ATOM 426 HB3 LYS A 32 5.385 -8.402 8.741 1.00 0.04 H ATOM 427 HG2 LYS A 32 7.641 -7.932 9.411 1.00 0.12 H ATOM 428 HG3 LYS A 32 7.594 -8.102 7.641 1.00 0.12 H ATOM 429 HD2 LYS A 32 7.722 -5.622 7.370 1.00 0.12 H ATOM 430 HD3 LYS A 32 7.661 -5.399 9.143 1.00 0.12 H ATOM 431 HE2 LYS A 32 9.900 -6.781 7.525 1.00 0.10 H ATOM 432 HE3 LYS A 32 9.954 -5.146 8.234 1.00 0.10 H ATOM 433 HZ1 LYS A 32 11.169 -6.575 9.707 1.00 0.29 H ATOM 434 HZ2 LYS A 32 9.667 -6.230 10.511 1.00 0.29 H ATOM 435 HZ3 LYS A 32 9.955 -7.778 9.750 1.00 0.29 H ATOM 436 N ASN A 33 2.825 -6.596 8.406 1.00 -0.46 N ATOM 437 CA ASN A 33 1.425 -6.982 8.598 1.00 0.04 C ATOM 438 C ASN A 33 0.608 -6.633 7.369 1.00 0.62 C ATOM 439 O ASN A 33 -0.050 -7.502 6.821 1.00 -0.50 O ATOM 440 CB ASN A 33 0.816 -6.344 9.878 1.00 -0.09 C ATOM 441 CG ASN A 33 1.520 -6.875 11.105 1.00 0.68 C ATOM 442 OD1 ASN A 33 1.217 -7.987 11.507 1.00 -0.47 O ATOM 443 ND2 ASN A 33 2.463 -6.140 11.730 1.00 -0.87 N ATOM 444 H ASN A 33 3.240 -5.926 9.024 1.00 0.25 H ATOM 445 HA ASN A 33 1.393 -8.077 8.735 1.00 0.05 H ATOM 446 HB2 ASN A 33 0.883 -5.247 9.835 1.00 0.04 H ATOM 447 HB3 ASN A 33 -0.251 -6.610 9.945 1.00 0.04 H ATOM 448 HD21 ASN A 33 2.726 -5.217 11.441 1.00 0.34 H ATOM 449 HD22 ASN A 33 2.918 -6.518 12.536 1.00 0.34 H ATOM 450 N LEU A 34 0.661 -5.361 6.919 1.00 -0.46 N ATOM 451 CA LEU A 34 -0.009 -4.933 5.688 1.00 0.04 C ATOM 452 C LEU A 34 -0.018 -6.026 4.634 1.00 0.62 C ATOM 453 O LEU A 34 -1.085 -6.354 4.140 1.00 -0.50 O ATOM 454 CB LEU A 34 0.680 -3.666 5.090 1.00 -0.06 C ATOM 455 CG LEU A 34 0.381 -2.331 5.854 1.00 -0.01 C ATOM 456 CD1 LEU A 34 1.443 -1.224 5.596 1.00 -0.11 C ATOM 457 CD2 LEU A 34 -1.014 -1.770 5.461 1.00 -0.11 C ATOM 458 H LEU A 34 1.179 -4.688 7.440 1.00 0.25 H ATOM 459 HA LEU A 34 -1.051 -4.683 5.934 1.00 0.05 H ATOM 460 HB2 LEU A 34 1.764 -3.853 5.052 1.00 0.03 H ATOM 461 HB3 LEU A 34 0.335 -3.560 4.051 1.00 0.03 H ATOM 462 HG LEU A 34 0.392 -2.515 6.941 1.00 0.03 H ATOM 463 HD11 LEU A 34 2.453 -1.568 5.837 1.00 0.03 H ATOM 464 HD12 LEU A 34 1.432 -0.909 4.549 1.00 0.03 H ATOM 465 HD13 LEU A 34 1.236 -0.341 6.220 1.00 0.03 H ATOM 466 HD21 LEU A 34 -1.796 -2.387 5.919 1.00 0.03 H ATOM 467 HD22 LEU A 34 -1.140 -0.736 5.812 1.00 0.03 H ATOM 468 HD23 LEU A 34 -1.153 -1.761 4.369 1.00 0.03 H ATOM 469 N HIS A 35 1.147 -6.610 4.262 1.00 -0.46 N ATOM 470 CA HIS A 35 1.128 -7.635 3.214 1.00 0.04 C ATOM 471 C HIS A 35 0.447 -8.887 3.725 1.00 0.62 C ATOM 472 O HIS A 35 -0.348 -9.473 3.007 1.00 -0.50 O ATOM 473 CB HIS A 35 2.536 -8.045 2.704 1.00 -0.10 C ATOM 474 CG HIS A 35 3.461 -6.895 2.411 1.00 0.06 C ATOM 475 ND1 HIS A 35 3.159 -5.638 2.270 1.00 -0.06 N ATOM 476 CD2 HIS A 35 4.783 -6.987 2.252 1.00 -0.04 C ATOM 477 CE1 HIS A 35 4.218 -4.918 2.052 1.00 0.11 C ATOM 478 NE2 HIS A 35 5.197 -5.775 2.034 1.00 -0.06 N ATOM 479 H HIS A 35 2.012 -6.373 4.711 1.00 0.25 H ATOM 480 HA HIS A 35 0.568 -7.238 2.349 1.00 0.05 H ATOM 481 HB2 HIS A 35 3.037 -8.666 3.462 1.00 0.09 H ATOM 482 HB3 HIS A 35 2.427 -8.648 1.788 1.00 0.09 H ATOM 483 HD1 HIS A 35 2.205 -5.251 2.332 1.00 0.31 H ATOM 484 HD2 HIS A 35 5.370 -7.902 2.303 1.00 0.15 H ATOM 485 HE1 HIS A 35 4.256 -3.841 1.920 1.00 0.16 H ATOM 486 HE2 HIS A 35 6.188 -5.527 1.872 1.00 0.31 H ATOM 487 N ASN A 36 0.760 -9.319 4.970 1.00 -0.46 N ATOM 488 CA ASN A 36 0.115 -10.516 5.514 1.00 0.04 C ATOM 489 C ASN A 36 -1.391 -10.397 5.391 1.00 0.62 C ATOM 490 O ASN A 36 -2.030 -11.359 4.997 1.00 -0.50 O ATOM 491 CB ASN A 36 0.484 -10.741 7.007 1.00 -0.09 C ATOM 492 CG ASN A 36 -0.018 -12.056 7.552 1.00 0.68 C ATOM 493 OD1 ASN A 36 -0.485 -12.893 6.798 1.00 -0.47 O ATOM 494 ND2 ASN A 36 0.074 -12.274 8.879 1.00 -0.87 N ATOM 495 H ASN A 36 1.422 -8.821 5.537 1.00 0.25 H ATOM 496 HA ASN A 36 0.469 -11.379 4.928 1.00 0.05 H ATOM 497 HB2 ASN A 36 1.580 -10.730 7.120 1.00 0.04 H ATOM 498 HB3 ASN A 36 0.063 -9.928 7.615 1.00 0.04 H ATOM 499 HD21 ASN A 36 0.464 -11.589 9.495 1.00 0.34 H ATOM 500 HD22 ASN A 36 -0.256 -13.142 9.253 1.00 0.34 H ATOM 501 N GLN A 37 -1.964 -9.209 5.702 1.00 -0.46 N ATOM 502 CA GLN A 37 -3.411 -9.002 5.572 1.00 0.04 C ATOM 503 C GLN A 37 -3.823 -8.510 4.195 1.00 0.62 C ATOM 504 O GLN A 37 -4.782 -7.762 4.089 1.00 -0.50 O ATOM 505 CB GLN A 37 -3.963 -8.126 6.735 1.00 -0.10 C ATOM 506 CG GLN A 37 -3.504 -6.642 6.698 1.00 -0.10 C ATOM 507 CD GLN A 37 -4.046 -5.838 7.852 1.00 0.68 C ATOM 508 OE1 GLN A 37 -4.626 -6.390 8.773 1.00 -0.47 O ATOM 509 NE2 GLN A 37 -3.855 -4.505 7.840 1.00 -0.87 N ATOM 510 H GLN A 37 -1.388 -8.444 5.987 1.00 0.25 H ATOM 511 HA GLN A 37 -3.926 -9.972 5.676 1.00 0.05 H ATOM 512 HB2 GLN A 37 -5.065 -8.141 6.708 1.00 0.04 H ATOM 513 HB3 GLN A 37 -3.638 -8.579 7.687 1.00 0.04 H ATOM 514 HG2 GLN A 37 -2.414 -6.566 6.783 1.00 0.06 H ATOM 515 HG3 GLN A 37 -3.809 -6.166 5.754 1.00 0.06 H ATOM 516 HE21 GLN A 37 -3.363 -4.074 7.086 1.00 0.34 H ATOM 517 HE22 GLN A 37 -4.201 -3.945 8.591 1.00 0.34 H ATOM 518 N ALA A 38 -3.124 -8.941 3.122 1.00 -0.46 N ATOM 519 CA ALA A 38 -3.570 -8.654 1.758 1.00 0.04 C ATOM 520 C ALA A 38 -3.207 -9.857 0.907 1.00 0.62 C ATOM 521 O ALA A 38 -2.488 -9.737 -0.072 1.00 -0.50 O ATOM 522 CB ALA A 38 -2.906 -7.356 1.264 1.00 -0.10 C ATOM 523 H ALA A 38 -2.292 -9.485 3.222 1.00 0.25 H ATOM 524 HA ALA A 38 -4.663 -8.534 1.695 1.00 0.05 H ATOM 525 HB1 ALA A 38 -3.230 -7.220 0.225 1.00 0.04 H ATOM 526 HB2 ALA A 38 -3.216 -6.486 1.865 1.00 0.04 H ATOM 527 HB3 ALA A 38 -1.811 -7.447 1.300 1.00 0.04 H ATOM 528 N ARG A 39 -3.701 -11.035 1.344 1.00 -0.46 N ATOM 529 CA ARG A 39 -3.265 -12.323 0.793 1.00 0.04 C ATOM 530 C ARG A 39 -4.408 -13.194 0.297 1.00 0.62 C ATOM 531 O ARG A 39 -4.238 -13.863 -0.709 1.00 -0.50 O ATOM 532 CB ARG A 39 -2.516 -12.995 1.979 1.00 -0.08 C ATOM 533 CG ARG A 39 -1.666 -14.243 1.602 1.00 -0.10 C ATOM 534 CD ARG A 39 -0.332 -13.917 0.867 1.00 -0.23 C ATOM 535 NE ARG A 39 0.606 -13.133 1.685 1.00 -0.32 N ATOM 536 CZ ARG A 39 1.781 -12.719 1.262 1.00 0.76 C ATOM 537 NH1 ARG A 39 2.246 -13.006 0.072 1.00 -0.62 N ATOM 538 NH2 ARG A 39 2.529 -11.993 2.058 1.00 -0.62 N ATOM 539 H ARG A 39 -4.284 -11.030 2.160 1.00 0.25 H ATOM 540 HA ARG A 39 -2.569 -12.166 -0.045 1.00 0.05 H ATOM 541 HB2 ARG A 39 -1.871 -12.239 2.452 1.00 0.06 H ATOM 542 HB3 ARG A 39 -3.270 -13.291 2.727 1.00 0.06 H ATOM 543 HG2 ARG A 39 -1.408 -14.784 2.529 1.00 0.07 H ATOM 544 HG3 ARG A 39 -2.282 -14.918 0.985 1.00 0.07 H ATOM 545 HD2 ARG A 39 0.139 -14.883 0.617 1.00 0.13 H ATOM 546 HD3 ARG A 39 -0.567 -13.386 -0.068 1.00 0.13 H ATOM 547 HE ARG A 39 0.321 -12.902 2.648 1.00 0.27 H ATOM 548 HH11 ARG A 39 1.711 -13.581 -0.588 1.00 0.36 H ATOM 549 HH12 ARG A 39 3.175 -12.678 -0.228 1.00 0.36 H ATOM 550 HH21 ARG A 39 2.209 -11.737 3.002 1.00 0.36 H ATOM 551 HH22 ARG A 39 3.455 -11.657 1.759 1.00 0.36 H ATOM 552 N SER A 40 -5.583 -13.230 0.968 1.00 -0.46 N ATOM 553 CA SER A 40 -6.705 -14.038 0.481 1.00 0.04 C ATOM 554 C SER A 40 -7.334 -13.437 -0.759 1.00 0.62 C ATOM 555 O SER A 40 -7.152 -12.260 -1.020 1.00 -0.50 O ATOM 556 CB SER A 40 -7.775 -14.158 1.604 1.00 0.02 C ATOM 557 OG SER A 40 -8.917 -14.950 1.234 1.00 -0.55 O ATOM 558 H SER A 40 -5.728 -12.682 1.789 1.00 0.25 H ATOM 559 HA SER A 40 -6.343 -15.052 0.242 1.00 0.05 H ATOM 560 HB2 SER A 40 -7.304 -14.656 2.467 1.00 0.12 H ATOM 561 HB3 SER A 40 -8.105 -13.157 1.932 1.00 0.12 H ATOM 562 HG SER A 40 -9.494 -14.521 0.611 1.00 0.31 H ATOM 563 N GLN A 41 -8.111 -14.213 -1.548 1.00 -0.46 N ATOM 564 CA GLN A 41 -8.846 -13.626 -2.675 1.00 0.04 C ATOM 565 C GLN A 41 -10.027 -12.835 -2.136 1.00 0.62 C ATOM 566 O GLN A 41 -11.165 -13.208 -2.370 1.00 -0.50 O ATOM 567 CB GLN A 41 -9.295 -14.742 -3.662 1.00 -0.10 C ATOM 568 CG GLN A 41 -8.080 -15.446 -4.329 1.00 -0.10 C ATOM 569 CD GLN A 41 -8.467 -16.745 -4.998 1.00 0.68 C ATOM 570 OE1 GLN A 41 -7.920 -17.779 -4.648 1.00 -0.47 O ATOM 571 NE2 GLN A 41 -9.404 -16.748 -5.967 1.00 -0.87 N ATOM 572 H GLN A 41 -8.241 -15.182 -1.328 1.00 0.25 H ATOM 573 HA GLN A 41 -8.201 -12.932 -3.240 1.00 0.05 H ATOM 574 HB2 GLN A 41 -9.894 -15.485 -3.110 1.00 0.04 H ATOM 575 HB3 GLN A 41 -9.935 -14.299 -4.441 1.00 0.04 H ATOM 576 HG2 GLN A 41 -7.617 -14.779 -5.072 1.00 0.06 H ATOM 577 HG3 GLN A 41 -7.315 -15.670 -3.569 1.00 0.06 H ATOM 578 HE21 GLN A 41 -9.861 -15.912 -6.260 1.00 0.34 H ATOM 579 HE22 GLN A 41 -9.650 -17.616 -6.398 1.00 0.34 H ATOM 580 N SER A 42 -9.765 -11.728 -1.402 1.00 -0.46 N ATOM 581 CA SER A 42 -10.838 -10.940 -0.785 1.00 0.04 C ATOM 582 C SER A 42 -10.265 -9.690 -0.141 1.00 0.62 C ATOM 583 O SER A 42 -10.629 -8.592 -0.534 1.00 -0.50 O ATOM 584 CB SER A 42 -11.611 -11.756 0.285 1.00 0.02 C ATOM 585 OG SER A 42 -12.484 -10.899 1.041 1.00 -0.55 O ATOM 586 H SER A 42 -8.818 -11.437 -1.272 1.00 0.25 H ATOM 587 HA SER A 42 -11.548 -10.630 -1.569 1.00 0.05 H ATOM 588 HB2 SER A 42 -12.192 -12.571 -0.178 1.00 0.12 H ATOM 589 HB3 SER A 42 -10.905 -12.216 0.993 1.00 0.12 H ATOM 590 HG SER A 42 -13.149 -10.480 0.504 1.00 0.31 H ATOM 591 N ASP A 43 -9.334 -9.832 0.830 1.00 -0.46 N ATOM 592 CA ASP A 43 -8.604 -8.665 1.325 1.00 0.04 C ATOM 593 C ASP A 43 -7.828 -8.086 0.158 1.00 0.62 C ATOM 594 O ASP A 43 -7.848 -6.882 -0.033 1.00 -0.50 O ATOM 595 CB ASP A 43 -7.681 -9.043 2.519 1.00 -0.40 C ATOM 596 CG ASP A 43 -6.741 -10.181 2.231 1.00 0.71 C ATOM 597 OD1 ASP A 43 -6.899 -10.828 1.166 1.00 -0.72 O ATOM 598 OD2 ASP A 43 -5.833 -10.459 3.059 1.00 -0.72 O ATOM 599 H ASP A 43 -9.049 -10.737 1.147 1.00 0.25 H ATOM 600 HA ASP A 43 -9.327 -7.909 1.679 1.00 0.05 H ATOM 601 HB2 ASP A 43 -7.097 -8.162 2.825 1.00 0.07 H ATOM 602 HB3 ASP A 43 -8.304 -9.368 3.366 1.00 0.07 H ATOM 603 N ARG A 44 -7.167 -8.932 -0.664 1.00 -0.46 N ATOM 604 CA ARG A 44 -6.536 -8.439 -1.890 1.00 0.04 C ATOM 605 C ARG A 44 -7.540 -7.643 -2.707 1.00 0.62 C ATOM 606 O ARG A 44 -7.230 -6.550 -3.157 1.00 -0.50 O ATOM 607 CB ARG A 44 -6.042 -9.604 -2.798 1.00 -0.08 C ATOM 608 CG ARG A 44 -4.881 -10.438 -2.188 1.00 -0.10 C ATOM 609 CD ARG A 44 -4.586 -11.690 -3.057 1.00 -0.23 C ATOM 610 NE ARG A 44 -4.267 -11.345 -4.447 1.00 -0.32 N ATOM 611 CZ ARG A 44 -3.049 -11.285 -4.948 1.00 0.76 C ATOM 612 NH1 ARG A 44 -1.959 -11.420 -4.236 1.00 -0.62 N ATOM 613 NH2 ARG A 44 -2.907 -11.079 -6.235 1.00 -0.62 N ATOM 614 H ARG A 44 -7.129 -9.907 -0.439 1.00 0.25 H ATOM 615 HA ARG A 44 -5.681 -7.798 -1.621 1.00 0.05 H ATOM 616 HB2 ARG A 44 -6.892 -10.272 -3.010 1.00 0.06 H ATOM 617 HB3 ARG A 44 -5.697 -9.179 -3.754 1.00 0.06 H ATOM 618 HG2 ARG A 44 -3.988 -9.806 -2.110 1.00 0.07 H ATOM 619 HG3 ARG A 44 -5.121 -10.776 -1.171 1.00 0.07 H ATOM 620 HD2 ARG A 44 -3.846 -12.340 -2.576 1.00 0.13 H ATOM 621 HD3 ARG A 44 -5.502 -12.305 -3.074 1.00 0.13 H ATOM 622 HE ARG A 44 -5.068 -11.220 -5.087 1.00 0.27 H ATOM 623 HH11 ARG A 44 -1.983 -11.466 -3.212 1.00 0.36 H ATOM 624 HH12 ARG A 44 -1.041 -11.481 -4.687 1.00 0.36 H ATOM 625 HH21 ARG A 44 -3.724 -10.984 -6.852 1.00 0.36 H ATOM 626 HH22 ARG A 44 -1.976 -10.994 -6.666 1.00 0.36 H ATOM 627 N GLN A 45 -8.758 -8.192 -2.920 1.00 -0.46 N ATOM 628 CA GLN A 45 -9.743 -7.515 -3.767 1.00 0.04 C ATOM 629 C GLN A 45 -10.104 -6.167 -3.179 1.00 0.62 C ATOM 630 O GLN A 45 -10.031 -5.157 -3.864 1.00 -0.50 O ATOM 631 CB GLN A 45 -11.035 -8.373 -3.929 1.00 -0.10 C ATOM 632 CG GLN A 45 -11.937 -7.866 -5.091 1.00 -0.10 C ATOM 633 CD GLN A 45 -11.403 -8.233 -6.455 1.00 0.68 C ATOM 634 OE1 GLN A 45 -10.541 -9.089 -6.558 1.00 -0.47 O ATOM 635 NE2 GLN A 45 -11.905 -7.616 -7.543 1.00 -0.87 N ATOM 636 H GLN A 45 -8.995 -9.074 -2.513 1.00 0.25 H ATOM 637 HA GLN A 45 -9.289 -7.377 -4.761 1.00 0.05 H ATOM 638 HB2 GLN A 45 -10.774 -9.428 -4.113 1.00 0.04 H ATOM 639 HB3 GLN A 45 -11.616 -8.345 -2.994 1.00 0.04 H ATOM 640 HG2 GLN A 45 -12.927 -8.343 -5.012 1.00 0.06 H ATOM 641 HG3 GLN A 45 -12.074 -6.777 -5.010 1.00 0.06 H ATOM 642 HE21 GLN A 45 -12.620 -6.922 -7.466 1.00 0.34 H ATOM 643 HE22 GLN A 45 -11.571 -7.887 -8.445 1.00 0.34 H ATOM 644 N SER A 46 -10.507 -6.146 -1.888 1.00 -0.46 N ATOM 645 CA SER A 46 -10.938 -4.895 -1.266 1.00 0.04 C ATOM 646 C SER A 46 -9.782 -3.928 -1.226 1.00 0.62 C ATOM 647 O SER A 46 -9.948 -2.766 -1.568 1.00 -0.50 O ATOM 648 CB SER A 46 -11.427 -5.114 0.193 1.00 0.02 C ATOM 649 OG SER A 46 -12.653 -5.862 0.236 1.00 -0.55 O ATOM 650 H SER A 46 -10.495 -6.984 -1.339 1.00 0.25 H ATOM 651 HA SER A 46 -11.766 -4.461 -1.851 1.00 0.05 H ATOM 652 HB2 SER A 46 -10.645 -5.614 0.788 1.00 0.12 H ATOM 653 HB3 SER A 46 -11.637 -4.138 0.659 1.00 0.12 H ATOM 654 HG SER A 46 -12.570 -6.747 -0.105 1.00 0.31 H ATOM 655 N ALA A 47 -8.596 -4.403 -0.797 1.00 -0.46 N ATOM 656 CA ALA A 47 -7.449 -3.513 -0.702 1.00 0.04 C ATOM 657 C ALA A 47 -7.134 -2.900 -2.039 1.00 0.62 C ATOM 658 O ALA A 47 -6.983 -1.693 -2.114 1.00 -0.50 O ATOM 659 CB ALA A 47 -6.195 -4.225 -0.142 1.00 -0.10 C ATOM 660 H ALA A 47 -8.485 -5.359 -0.523 1.00 0.25 H ATOM 661 HA ALA A 47 -7.721 -2.694 -0.031 1.00 0.05 H ATOM 662 HB1 ALA A 47 -5.891 -5.042 -0.814 1.00 0.04 H ATOM 663 HB2 ALA A 47 -5.377 -3.495 -0.062 1.00 0.04 H ATOM 664 HB3 ALA A 47 -6.397 -4.641 0.857 1.00 0.04 H ATOM 665 N CYS A 48 -7.036 -3.697 -3.122 1.00 -0.46 N ATOM 666 CA CYS A 48 -6.701 -3.092 -4.408 1.00 0.04 C ATOM 667 C CYS A 48 -7.731 -2.033 -4.754 1.00 0.62 C ATOM 668 O CYS A 48 -7.361 -0.988 -5.268 1.00 -0.50 O ATOM 669 CB CYS A 48 -6.583 -4.175 -5.513 1.00 -0.10 C ATOM 670 SG CYS A 48 -5.558 -3.580 -6.897 1.00 0.82 S ATOM 671 H CYS A 48 -7.188 -4.687 -3.044 1.00 0.25 H ATOM 672 HA CYS A 48 -5.712 -2.617 -4.292 1.00 0.05 H ATOM 673 HB2 CYS A 48 -6.023 -5.029 -5.103 1.00 0.05 H ATOM 674 HB3 CYS A 48 -7.575 -4.517 -5.844 1.00 0.05 H ATOM 675 N ASN A 49 -9.034 -2.273 -4.486 1.00 -0.46 N ATOM 676 CA ASN A 49 -10.041 -1.253 -4.791 1.00 0.04 C ATOM 677 C ASN A 49 -9.865 -0.031 -3.906 1.00 0.62 C ATOM 678 O ASN A 49 -9.687 1.059 -4.429 1.00 -0.50 O ATOM 679 CB ASN A 49 -11.473 -1.841 -4.664 1.00 -0.09 C ATOM 680 CG ASN A 49 -11.692 -3.010 -5.596 1.00 0.68 C ATOM 681 OD1 ASN A 49 -10.851 -3.293 -6.434 1.00 -0.47 O ATOM 682 ND2 ASN A 49 -12.834 -3.716 -5.482 1.00 -0.87 N ATOM 683 H ASN A 49 -9.321 -3.139 -4.067 1.00 0.25 H ATOM 684 HA ASN A 49 -9.912 -0.935 -5.840 1.00 0.05 H ATOM 685 HB2 ASN A 49 -11.654 -2.178 -3.633 1.00 0.04 H ATOM 686 HB3 ASN A 49 -12.212 -1.061 -4.908 1.00 0.04 H ATOM 687 HD21 ASN A 49 -13.523 -3.480 -4.795 1.00 0.34 H ATOM 688 HD22 ASN A 49 -12.998 -4.489 -6.093 1.00 0.34 H ATOM 689 N CYS A 50 -9.899 -0.179 -2.560 1.00 -0.46 N ATOM 690 CA CYS A 50 -9.683 0.978 -1.683 1.00 0.04 C ATOM 691 C CYS A 50 -8.420 1.706 -2.089 1.00 0.62 C ATOM 692 O CYS A 50 -8.408 2.926 -2.127 1.00 -0.50 O ATOM 693 CB CYS A 50 -9.504 0.551 -0.199 1.00 -0.10 C ATOM 694 SG CYS A 50 -11.072 -0.045 0.513 1.00 0.82 S ATOM 695 H CYS A 50 -10.033 -1.086 -2.156 1.00 0.25 H ATOM 696 HA CYS A 50 -10.540 1.667 -1.769 1.00 0.05 H ATOM 697 HB2 CYS A 50 -8.760 -0.257 -0.153 1.00 0.05 H ATOM 698 HB3 CYS A 50 -9.151 1.397 0.412 1.00 0.05 H ATOM 699 N LEU A 51 -7.341 0.953 -2.389 1.00 -0.46 N ATOM 700 CA LEU A 51 -6.055 1.576 -2.683 1.00 0.04 C ATOM 701 C LEU A 51 -6.167 2.638 -3.748 1.00 0.62 C ATOM 702 O LEU A 51 -5.607 3.707 -3.566 1.00 -0.50 O ATOM 703 CB LEU A 51 -5.032 0.509 -3.156 1.00 -0.06 C ATOM 704 CG LEU A 51 -3.616 1.056 -3.491 1.00 -0.01 C ATOM 705 CD1 LEU A 51 -3.010 1.806 -2.278 1.00 -0.11 C ATOM 706 CD2 LEU A 51 -2.718 -0.146 -3.892 1.00 -0.11 C ATOM 707 H LEU A 51 -7.394 -0.045 -2.347 1.00 0.25 H ATOM 708 HA LEU A 51 -5.718 2.028 -1.736 1.00 0.05 H ATOM 709 HB2 LEU A 51 -4.939 -0.239 -2.352 1.00 0.03 H ATOM 710 HB3 LEU A 51 -5.426 0.005 -4.050 1.00 0.03 H ATOM 711 HG LEU A 51 -3.658 1.760 -4.341 1.00 0.03 H ATOM 712 HD11 LEU A 51 -3.540 2.748 -2.093 1.00 0.03 H ATOM 713 HD12 LEU A 51 -3.115 1.177 -1.388 1.00 0.03 H ATOM 714 HD13 LEU A 51 -1.946 2.041 -2.434 1.00 0.03 H ATOM 715 HD21 LEU A 51 -3.023 -0.542 -4.864 1.00 0.03 H ATOM 716 HD22 LEU A 51 -1.658 0.140 -3.940 1.00 0.03 H ATOM 717 HD23 LEU A 51 -2.826 -0.971 -3.181 1.00 0.03 H ATOM 718 N LYS A 52 -6.876 2.389 -4.871 1.00 -0.46 N ATOM 719 CA LYS A 52 -6.985 3.449 -5.873 1.00 0.04 C ATOM 720 C LYS A 52 -7.690 4.631 -5.244 1.00 0.62 C ATOM 721 O LYS A 52 -7.229 5.753 -5.384 1.00 -0.50 O ATOM 722 CB LYS A 52 -7.663 3.011 -7.202 1.00 -0.10 C ATOM 723 CG LYS A 52 -6.821 1.912 -7.909 1.00 -0.16 C ATOM 724 CD LYS A 52 -7.227 1.622 -9.384 1.00 -0.18 C ATOM 725 CE LYS A 52 -6.719 2.662 -10.429 1.00 -0.04 C ATOM 726 NZ LYS A 52 -5.254 2.617 -10.675 1.00 -0.14 N ATOM 727 H LYS A 52 -7.359 1.520 -4.997 1.00 0.25 H ATOM 728 HA LYS A 52 -5.962 3.771 -6.125 1.00 0.05 H ATOM 729 HB2 LYS A 52 -8.683 2.645 -7.003 1.00 0.04 H ATOM 730 HB3 LYS A 52 -7.739 3.899 -7.849 1.00 0.04 H ATOM 731 HG2 LYS A 52 -5.770 2.216 -7.880 1.00 0.12 H ATOM 732 HG3 LYS A 52 -6.917 0.983 -7.323 1.00 0.12 H ATOM 733 HD2 LYS A 52 -6.823 0.643 -9.687 1.00 0.12 H ATOM 734 HD3 LYS A 52 -8.327 1.555 -9.425 1.00 0.12 H ATOM 735 HE2 LYS A 52 -7.227 2.445 -11.386 1.00 0.10 H ATOM 736 HE3 LYS A 52 -7.019 3.677 -10.123 1.00 0.10 H ATOM 737 HZ1 LYS A 52 -4.669 2.961 -9.835 1.00 0.29 H ATOM 738 HZ2 LYS A 52 -4.881 1.636 -10.944 1.00 0.29 H ATOM 739 HZ3 LYS A 52 -4.958 3.264 -11.490 1.00 0.29 H ATOM 740 N GLY A 53 -8.804 4.394 -4.518 1.00 -0.46 N ATOM 741 CA GLY A 53 -9.465 5.504 -3.835 1.00 0.04 C ATOM 742 C GLY A 53 -8.518 6.259 -2.927 1.00 0.62 C ATOM 743 O GLY A 53 -8.575 7.479 -2.901 1.00 -0.50 O ATOM 744 H GLY A 53 -9.177 3.468 -4.418 1.00 0.25 H ATOM 745 HA2 GLY A 53 -9.887 6.186 -4.591 1.00 0.03 H ATOM 746 HA3 GLY A 53 -10.294 5.136 -3.210 1.00 0.03 H ATOM 747 N ILE A 54 -7.651 5.557 -2.159 1.00 -0.46 N ATOM 748 CA ILE A 54 -6.769 6.248 -1.215 1.00 0.04 C ATOM 749 C ILE A 54 -5.562 6.801 -1.948 1.00 0.62 C ATOM 750 O ILE A 54 -5.386 8.008 -1.993 1.00 -0.50 O ATOM 751 CB ILE A 54 -6.331 5.333 -0.025 1.00 -0.01 C ATOM 752 CG1 ILE A 54 -7.569 4.809 0.771 1.00 -0.05 C ATOM 753 CG2 ILE A 54 -5.348 6.103 0.907 1.00 -0.09 C ATOM 754 CD1 ILE A 54 -7.242 3.620 1.718 1.00 -0.09 C ATOM 755 H ILE A 54 -7.595 4.560 -2.237 1.00 0.25 H ATOM 756 HA ILE A 54 -7.316 7.090 -0.758 1.00 0.05 H ATOM 757 HB ILE A 54 -5.802 4.455 -0.431 1.00 0.02 H ATOM 758 HG12 ILE A 54 -8.009 5.634 1.355 1.00 0.03 H ATOM 759 HG13 ILE A 54 -8.342 4.452 0.073 1.00 0.03 H ATOM 760 HG21 ILE A 54 -4.474 6.474 0.352 1.00 0.03 H ATOM 761 HG22 ILE A 54 -5.852 6.967 1.367 1.00 0.03 H ATOM 762 HG23 ILE A 54 -4.968 5.458 1.709 1.00 0.03 H ATOM 763 HD11 ILE A 54 -8.164 3.262 2.203 1.00 0.03 H ATOM 764 HD12 ILE A 54 -6.805 2.784 1.149 1.00 0.03 H ATOM 765 HD13 ILE A 54 -6.538 3.910 2.510 1.00 0.03 H ATOM 766 N ALA A 55 -4.693 5.934 -2.512 1.00 -0.46 N ATOM 767 CA ALA A 55 -3.419 6.407 -3.053 1.00 0.04 C ATOM 768 C ALA A 55 -3.586 7.115 -4.378 1.00 0.62 C ATOM 769 O ALA A 55 -3.144 8.245 -4.502 1.00 -0.50 O ATOM 770 CB ALA A 55 -2.430 5.228 -3.233 1.00 -0.10 C ATOM 771 H ALA A 55 -4.898 4.956 -2.548 1.00 0.25 H ATOM 772 HA ALA A 55 -2.961 7.100 -2.327 1.00 0.05 H ATOM 773 HB1 ALA A 55 -2.832 4.482 -3.934 1.00 0.04 H ATOM 774 HB2 ALA A 55 -1.472 5.596 -3.617 1.00 0.04 H ATOM 775 HB3 ALA A 55 -2.235 4.738 -2.272 1.00 0.04 H ATOM 776 N ARG A 56 -4.207 6.472 -5.393 1.00 -0.46 N ATOM 777 CA ARG A 56 -4.298 7.109 -6.710 1.00 0.04 C ATOM 778 C ARG A 56 -5.031 8.421 -6.537 1.00 0.62 C ATOM 779 O ARG A 56 -4.576 9.435 -7.044 1.00 -0.50 O ATOM 780 CB ARG A 56 -4.953 6.173 -7.772 1.00 -0.08 C ATOM 781 CG ARG A 56 -4.711 6.587 -9.255 1.00 -0.10 C ATOM 782 CD ARG A 56 -5.619 7.740 -9.763 1.00 -0.23 C ATOM 783 NE ARG A 56 -5.254 8.068 -11.149 1.00 -0.32 N ATOM 784 CZ ARG A 56 -5.681 7.424 -12.215 1.00 0.76 C ATOM 785 NH1 ARG A 56 -6.489 6.394 -12.164 1.00 -0.62 N ATOM 786 NH2 ARG A 56 -5.279 7.827 -13.397 1.00 -0.62 N ATOM 787 H ARG A 56 -4.607 5.568 -5.244 1.00 0.25 H ATOM 788 HA ARG A 56 -3.264 7.316 -7.034 1.00 0.05 H ATOM 789 HB2 ARG A 56 -4.495 5.179 -7.644 1.00 0.06 H ATOM 790 HB3 ARG A 56 -6.033 6.070 -7.588 1.00 0.06 H ATOM 791 HG2 ARG A 56 -3.656 6.876 -9.392 1.00 0.07 H ATOM 792 HG3 ARG A 56 -4.892 5.709 -9.895 1.00 0.07 H ATOM 793 HD2 ARG A 56 -6.690 7.526 -9.623 1.00 0.13 H ATOM 794 HD3 ARG A 56 -5.423 8.633 -9.154 1.00 0.13 H ATOM 795 HE ARG A 56 -4.622 8.876 -11.280 1.00 0.27 H ATOM 796 HH11 ARG A 56 -6.841 6.032 -11.274 1.00 0.36 H ATOM 797 HH12 ARG A 56 -6.800 5.921 -13.024 1.00 0.36 H ATOM 798 HH21 ARG A 56 -4.642 8.630 -13.501 1.00 0.36 H ATOM 799 HH22 ARG A 56 -5.588 7.352 -14.258 1.00 0.36 H ATOM 800 N GLY A 57 -6.164 8.429 -5.797 1.00 -0.46 N ATOM 801 CA GLY A 57 -6.868 9.687 -5.552 1.00 0.04 C ATOM 802 C GLY A 57 -5.932 10.809 -5.154 1.00 0.62 C ATOM 803 O GLY A 57 -6.063 11.908 -5.674 1.00 -0.50 O ATOM 804 H GLY A 57 -6.539 7.580 -5.412 1.00 0.25 H ATOM 805 HA2 GLY A 57 -7.417 9.963 -6.466 1.00 0.03 H ATOM 806 HA3 GLY A 57 -7.600 9.567 -4.737 1.00 0.03 H ATOM 807 N ILE A 58 -4.973 10.560 -4.231 1.00 -0.46 N ATOM 808 CA ILE A 58 -4.033 11.623 -3.863 1.00 0.04 C ATOM 809 C ILE A 58 -3.218 11.930 -5.103 1.00 0.62 C ATOM 810 O ILE A 58 -2.640 11.014 -5.664 1.00 -0.50 O ATOM 811 CB ILE A 58 -3.093 11.256 -2.678 1.00 -0.01 C ATOM 812 CG1 ILE A 58 -3.913 10.999 -1.375 1.00 -0.05 C ATOM 813 CG2 ILE A 58 -2.023 12.368 -2.456 1.00 -0.09 C ATOM 814 CD1 ILE A 58 -3.149 10.122 -0.347 1.00 -0.09 C ATOM 815 H ILE A 58 -4.860 9.643 -3.843 1.00 0.25 H ATOM 816 HA ILE A 58 -4.618 12.501 -3.546 1.00 0.05 H ATOM 817 HB ILE A 58 -2.577 10.329 -2.965 1.00 0.02 H ATOM 818 HG12 ILE A 58 -4.182 11.962 -0.912 1.00 0.03 H ATOM 819 HG13 ILE A 58 -4.855 10.480 -1.604 1.00 0.03 H ATOM 820 HG21 ILE A 58 -2.511 13.316 -2.180 1.00 0.03 H ATOM 821 HG22 ILE A 58 -1.323 12.093 -1.655 1.00 0.03 H ATOM 822 HG23 ILE A 58 -1.426 12.549 -3.362 1.00 0.03 H ATOM 823 HD11 ILE A 58 -3.760 9.973 0.558 1.00 0.03 H ATOM 824 HD12 ILE A 58 -2.922 9.133 -0.775 1.00 0.03 H ATOM 825 HD13 ILE A 58 -2.206 10.597 -0.052 1.00 0.03 H ATOM 826 N HIS A 59 -3.161 13.202 -5.560 1.00 -0.46 N ATOM 827 CA HIS A 59 -2.478 13.496 -6.821 1.00 0.04 C ATOM 828 C HIS A 59 -0.986 13.612 -6.587 1.00 0.62 C ATOM 829 O HIS A 59 -0.220 12.922 -7.241 1.00 -0.50 O ATOM 830 CB HIS A 59 -3.032 14.799 -7.460 1.00 -0.10 C ATOM 831 CG HIS A 59 -4.438 14.651 -7.995 1.00 0.06 C ATOM 832 ND1 HIS A 59 -5.398 13.896 -7.540 1.00 -0.06 N ATOM 833 CD2 HIS A 59 -4.942 15.293 -9.054 1.00 -0.04 C ATOM 834 CE1 HIS A 59 -6.485 14.017 -8.242 1.00 0.11 C ATOM 835 NE2 HIS A 59 -6.172 14.881 -9.162 1.00 -0.06 N ATOM 836 H HIS A 59 -3.576 13.954 -5.045 1.00 0.25 H ATOM 837 HA HIS A 59 -2.656 12.687 -7.550 1.00 0.05 H ATOM 838 HB2 HIS A 59 -3.024 15.620 -6.727 1.00 0.09 H ATOM 839 HB3 HIS A 59 -2.375 15.092 -8.295 1.00 0.09 H ATOM 840 HD1 HIS A 59 -5.322 13.270 -6.724 1.00 0.31 H ATOM 841 HD2 HIS A 59 -4.423 16.013 -9.689 1.00 0.15 H ATOM 842 HE1 HIS A 59 -7.438 13.509 -8.091 1.00 0.16 H ATOM 843 HE2 HIS A 59 -6.824 15.204 -9.894 1.00 0.31 H ATOM 844 N ASN A 60 -0.548 14.489 -5.656 1.00 -0.46 N ATOM 845 CA ASN A 60 0.887 14.663 -5.426 1.00 0.04 C ATOM 846 C ASN A 60 1.414 13.499 -4.615 1.00 0.62 C ATOM 847 O ASN A 60 1.641 13.663 -3.426 1.00 -0.50 O ATOM 848 CB ASN A 60 1.141 16.031 -4.737 1.00 -0.09 C ATOM 849 CG ASN A 60 0.596 17.133 -5.613 1.00 0.68 C ATOM 850 OD1 ASN A 60 -0.484 17.632 -5.339 1.00 -0.47 O ATOM 851 ND2 ASN A 60 1.306 17.529 -6.688 1.00 -0.87 N ATOM 852 H ASN A 60 -1.196 15.009 -5.097 1.00 0.25 H ATOM 853 HA ASN A 60 1.426 14.685 -6.389 1.00 0.05 H ATOM 854 HB2 ASN A 60 0.646 16.059 -3.753 1.00 0.04 H ATOM 855 HB3 ASN A 60 2.221 16.181 -4.576 1.00 0.04 H ATOM 856 HD21 ASN A 60 2.190 17.118 -6.912 1.00 0.34 H ATOM 857 HD22 ASN A 60 0.941 18.255 -7.271 1.00 0.34 H ATOM 858 N LEU A 61 1.612 12.319 -5.251 1.00 -0.46 N ATOM 859 CA LEU A 61 2.121 11.144 -4.540 1.00 0.04 C ATOM 860 C LEU A 61 3.271 10.548 -5.330 1.00 0.62 C ATOM 861 O LEU A 61 3.043 10.166 -6.467 1.00 -0.50 O ATOM 862 CB LEU A 61 0.947 10.141 -4.372 1.00 -0.06 C ATOM 863 CG LEU A 61 1.233 8.972 -3.381 1.00 -0.01 C ATOM 864 CD1 LEU A 61 -0.029 8.076 -3.256 1.00 -0.11 C ATOM 865 CD2 LEU A 61 2.457 8.115 -3.809 1.00 -0.11 C ATOM 866 H LEU A 61 1.389 12.213 -6.224 1.00 0.25 H ATOM 867 HA LEU A 61 2.465 11.424 -3.537 1.00 0.05 H ATOM 868 HB2 LEU A 61 0.083 10.704 -3.987 1.00 0.03 H ATOM 869 HB3 LEU A 61 0.666 9.742 -5.360 1.00 0.03 H ATOM 870 HG LEU A 61 1.427 9.393 -2.381 1.00 0.03 H ATOM 871 HD11 LEU A 61 -0.302 7.673 -4.242 1.00 0.03 H ATOM 872 HD12 LEU A 61 0.148 7.242 -2.558 1.00 0.03 H ATOM 873 HD13 LEU A 61 -0.876 8.657 -2.868 1.00 0.03 H ATOM 874 HD21 LEU A 61 2.429 7.117 -3.352 1.00 0.03 H ATOM 875 HD22 LEU A 61 2.479 7.989 -4.898 1.00 0.03 H ATOM 876 HD23 LEU A 61 3.394 8.590 -3.489 1.00 0.03 H ATOM 877 N ASN A 62 4.503 10.446 -4.777 1.00 -0.46 N ATOM 878 CA ASN A 62 5.594 9.825 -5.533 1.00 0.04 C ATOM 879 C ASN A 62 5.394 8.322 -5.599 1.00 0.62 C ATOM 880 O ASN A 62 5.842 7.622 -4.703 1.00 -0.50 O ATOM 881 CB ASN A 62 6.962 10.162 -4.881 1.00 -0.09 C ATOM 882 CG ASN A 62 8.122 9.591 -5.661 1.00 0.68 C ATOM 883 OD1 ASN A 62 7.919 8.903 -6.648 1.00 -0.47 O ATOM 884 ND2 ASN A 62 9.375 9.853 -5.242 1.00 -0.87 N ATOM 885 H ASN A 62 4.685 10.755 -3.840 1.00 0.25 H ATOM 886 HA ASN A 62 5.619 10.246 -6.552 1.00 0.05 H ATOM 887 HB2 ASN A 62 7.078 11.256 -4.829 1.00 0.04 H ATOM 888 HB3 ASN A 62 6.977 9.766 -3.854 1.00 0.04 H ATOM 889 HD21 ASN A 62 9.531 10.381 -4.405 1.00 0.34 H ATOM 890 HD22 ASN A 62 10.155 9.494 -5.754 1.00 0.34 H ATOM 891 N GLU A 63 4.733 7.787 -6.653 1.00 -0.46 N ATOM 892 CA GLU A 63 4.541 6.340 -6.725 1.00 0.04 C ATOM 893 C GLU A 63 5.851 5.585 -6.663 1.00 0.62 C ATOM 894 O GLU A 63 5.850 4.469 -6.165 1.00 -0.50 O ATOM 895 CB GLU A 63 3.711 5.844 -7.948 1.00 -0.18 C ATOM 896 CG GLU A 63 4.429 5.918 -9.328 1.00 -0.40 C ATOM 897 CD GLU A 63 4.470 7.306 -9.911 1.00 0.71 C ATOM 898 OE1 GLU A 63 4.945 8.234 -9.205 1.00 -0.72 O ATOM 899 OE2 GLU A 63 4.026 7.474 -11.082 1.00 -0.72 O ATOM 900 H GLU A 63 4.374 8.361 -7.393 1.00 0.25 H ATOM 901 HA GLU A 63 3.958 6.077 -5.829 1.00 0.05 H ATOM 902 HB2 GLU A 63 3.472 4.782 -7.764 1.00 0.09 H ATOM 903 HB3 GLU A 63 2.763 6.401 -8.005 1.00 0.09 H ATOM 904 HG2 GLU A 63 5.454 5.525 -9.272 1.00 0.07 H ATOM 905 HG3 GLU A 63 3.874 5.281 -10.037 1.00 0.07 H ATOM 906 N ASP A 64 6.981 6.134 -7.165 1.00 -0.46 N ATOM 907 CA ASP A 64 8.211 5.344 -7.187 1.00 0.04 C ATOM 908 C ASP A 64 8.740 5.082 -5.794 1.00 0.62 C ATOM 909 O ASP A 64 8.903 3.924 -5.438 1.00 -0.50 O ATOM 910 CB ASP A 64 9.313 5.968 -8.080 1.00 -0.40 C ATOM 911 CG ASP A 64 10.465 5.000 -8.163 1.00 0.71 C ATOM 912 OD1 ASP A 64 10.389 4.059 -9.005 1.00 -0.72 O ATOM 913 OD2 ASP A 64 11.436 5.158 -7.379 1.00 -0.72 O ATOM 914 H ASP A 64 6.986 7.058 -7.554 1.00 0.25 H ATOM 915 HA ASP A 64 7.956 4.372 -7.640 1.00 0.05 H ATOM 916 HB2 ASP A 64 8.916 6.155 -9.090 1.00 0.07 H ATOM 917 HB3 ASP A 64 9.652 6.928 -7.663 1.00 0.07 H ATOM 918 N ASN A 65 9.026 6.114 -4.965 1.00 -0.46 N ATOM 919 CA ASN A 65 9.521 5.806 -3.625 1.00 0.04 C ATOM 920 C ASN A 65 8.469 4.990 -2.910 1.00 0.62 C ATOM 921 O ASN A 65 8.827 4.039 -2.233 1.00 -0.50 O ATOM 922 CB ASN A 65 10.052 7.000 -2.785 1.00 -0.09 C ATOM 923 CG ASN A 65 9.055 8.037 -2.330 1.00 0.68 C ATOM 924 OD1 ASN A 65 9.148 9.175 -2.760 1.00 -0.47 O ATOM 925 ND2 ASN A 65 8.106 7.708 -1.434 1.00 -0.87 N ATOM 926 H ASN A 65 8.886 7.063 -5.242 1.00 0.25 H ATOM 927 HA ASN A 65 10.401 5.157 -3.774 1.00 0.05 H ATOM 928 HB2 ASN A 65 10.512 6.588 -1.874 1.00 0.04 H ATOM 929 HB3 ASN A 65 10.847 7.500 -3.363 1.00 0.04 H ATOM 930 HD21 ASN A 65 8.045 6.797 -1.034 1.00 0.34 H ATOM 931 HD22 ASN A 65 7.465 8.421 -1.139 1.00 0.34 H ATOM 932 N ALA A 66 7.164 5.310 -3.067 1.00 -0.46 N ATOM 933 CA ALA A 66 6.136 4.464 -2.458 1.00 0.04 C ATOM 934 C ALA A 66 6.337 3.015 -2.856 1.00 0.62 C ATOM 935 O ALA A 66 6.324 2.149 -1.997 1.00 -0.50 O ATOM 936 CB ALA A 66 4.713 4.923 -2.863 1.00 -0.10 C ATOM 937 H ALA A 66 6.887 6.109 -3.608 1.00 0.25 H ATOM 938 HA ALA A 66 6.227 4.558 -1.365 1.00 0.05 H ATOM 939 HB1 ALA A 66 4.604 5.997 -2.657 1.00 0.04 H ATOM 940 HB2 ALA A 66 4.544 4.751 -3.934 1.00 0.04 H ATOM 941 HB3 ALA A 66 3.946 4.368 -2.305 1.00 0.04 H ATOM 942 N ARG A 67 6.540 2.737 -4.162 1.00 -0.46 N ATOM 943 CA ARG A 67 6.812 1.367 -4.609 1.00 0.04 C ATOM 944 C ARG A 67 8.102 0.829 -4.021 1.00 0.62 C ATOM 945 O ARG A 67 8.171 -0.362 -3.760 1.00 -0.50 O ATOM 946 CB ARG A 67 6.865 1.326 -6.164 1.00 -0.08 C ATOM 947 CG ARG A 67 7.307 -0.048 -6.733 1.00 -0.10 C ATOM 948 CD ARG A 67 7.118 -0.118 -8.280 1.00 -0.23 C ATOM 949 NE ARG A 67 7.141 1.186 -8.965 1.00 -0.32 N ATOM 950 CZ ARG A 67 8.219 1.913 -9.172 1.00 0.76 C ATOM 951 NH1 ARG A 67 9.411 1.565 -8.758 1.00 -0.62 N ATOM 952 NH2 ARG A 67 8.105 3.047 -9.821 1.00 -0.62 N ATOM 953 H ARG A 67 6.537 3.479 -4.836 1.00 0.25 H ATOM 954 HA ARG A 67 5.992 0.714 -4.268 1.00 0.05 H ATOM 955 HB2 ARG A 67 5.873 1.588 -6.562 1.00 0.06 H ATOM 956 HB3 ARG A 67 7.584 2.079 -6.518 1.00 0.06 H ATOM 957 HG2 ARG A 67 8.363 -0.216 -6.469 1.00 0.07 H ATOM 958 HG3 ARG A 67 6.726 -0.852 -6.249 1.00 0.07 H ATOM 959 HD2 ARG A 67 7.825 -0.828 -8.740 1.00 0.13 H ATOM 960 HD3 ARG A 67 6.115 -0.549 -8.453 1.00 0.13 H ATOM 961 HE ARG A 67 6.238 1.542 -9.321 1.00 0.27 H ATOM 962 HH11 ARG A 67 9.568 0.686 -8.259 1.00 0.36 H ATOM 963 HH12 ARG A 67 10.225 2.183 -8.916 1.00 0.36 H ATOM 964 HH21 ARG A 67 7.195 3.381 -10.167 1.00 0.36 H ATOM 965 HH22 ARG A 67 8.932 3.641 -9.995 1.00 0.36 H ATOM 966 N SER A 68 9.138 1.670 -3.805 1.00 -0.46 N ATOM 967 CA SER A 68 10.391 1.175 -3.227 1.00 0.04 C ATOM 968 C SER A 68 10.322 1.003 -1.721 1.00 0.62 C ATOM 969 O SER A 68 11.092 0.215 -1.196 1.00 -0.50 O ATOM 970 CB SER A 68 11.577 2.119 -3.560 1.00 0.02 C ATOM 971 OG SER A 68 11.751 2.294 -4.978 1.00 -0.55 O ATOM 972 H SER A 68 9.055 2.642 -4.027 1.00 0.25 H ATOM 973 HA SER A 68 10.633 0.196 -3.677 1.00 0.05 H ATOM 974 HB2 SER A 68 11.449 3.089 -3.055 1.00 0.12 H ATOM 975 HB3 SER A 68 12.509 1.664 -3.191 1.00 0.12 H ATOM 976 HG SER A 68 11.023 2.736 -5.406 1.00 0.31 H ATOM 977 N ILE A 69 9.441 1.713 -0.979 1.00 -0.46 N ATOM 978 CA ILE A 69 9.375 1.519 0.475 1.00 0.04 C ATOM 979 C ILE A 69 9.243 0.062 0.896 1.00 0.62 C ATOM 980 O ILE A 69 10.055 -0.344 1.713 1.00 -0.50 O ATOM 981 CB ILE A 69 8.297 2.417 1.168 1.00 -0.01 C ATOM 982 CG1 ILE A 69 8.763 3.906 1.218 1.00 -0.05 C ATOM 983 CG2 ILE A 69 7.948 1.905 2.599 1.00 -0.09 C ATOM 984 CD1 ILE A 69 7.628 4.900 1.585 1.00 -0.09 C ATOM 985 H ILE A 69 8.838 2.385 -1.415 1.00 0.25 H ATOM 986 HA ILE A 69 10.344 1.859 0.872 1.00 0.05 H ATOM 987 HB ILE A 69 7.389 2.365 0.549 1.00 0.02 H ATOM 988 HG12 ILE A 69 9.588 4.016 1.939 1.00 0.03 H ATOM 989 HG13 ILE A 69 9.151 4.202 0.231 1.00 0.03 H ATOM 990 HG21 ILE A 69 8.851 1.898 3.227 1.00 0.03 H ATOM 991 HG22 ILE A 69 7.193 2.540 3.083 1.00 0.03 H ATOM 992 HG23 ILE A 69 7.531 0.886 2.576 1.00 0.03 H ATOM 993 HD11 ILE A 69 7.955 5.932 1.393 1.00 0.03 H ATOM 994 HD12 ILE A 69 6.740 4.706 0.970 1.00 0.03 H ATOM 995 HD13 ILE A 69 7.338 4.828 2.642 1.00 0.03 H ATOM 996 N PRO A 70 8.274 -0.782 0.455 1.00 -0.23 N ATOM 997 CA PRO A 70 8.119 -2.085 1.082 1.00 0.04 C ATOM 998 C PRO A 70 9.392 -2.896 1.265 1.00 0.53 C ATOM 999 O PRO A 70 9.672 -3.231 2.406 1.00 -0.50 O ATOM 1000 CB PRO A 70 6.987 -2.728 0.236 1.00 -0.12 C ATOM 1001 CG PRO A 70 6.740 -1.787 -0.972 1.00 -0.12 C ATOM 1002 CD PRO A 70 7.275 -0.404 -0.529 1.00 -0.01 C ATOM 1003 HA PRO A 70 7.720 -1.875 2.089 1.00 0.05 H ATOM 1004 HB2 PRO A 70 7.232 -3.749 -0.082 1.00 0.06 H ATOM 1005 HB3 PRO A 70 6.062 -2.775 0.827 1.00 0.06 H ATOM 1006 HG2 PRO A 70 7.315 -2.144 -1.841 1.00 0.06 H ATOM 1007 HG3 PRO A 70 5.680 -1.743 -1.274 1.00 0.06 H ATOM 1008 HD2 PRO A 70 7.672 0.145 -1.386 1.00 0.06 H ATOM 1009 HD3 PRO A 70 6.477 0.179 -0.052 1.00 0.06 H ATOM 1010 N PRO A 71 10.231 -3.243 0.259 1.00 -0.23 N ATOM 1011 CA PRO A 71 11.429 -4.015 0.567 1.00 0.04 C ATOM 1012 C PRO A 71 12.367 -3.264 1.490 1.00 0.53 C ATOM 1013 O PRO A 71 13.110 -3.925 2.200 1.00 -0.50 O ATOM 1014 CB PRO A 71 12.002 -4.232 -0.856 1.00 -0.12 C ATOM 1015 CG PRO A 71 11.448 -3.041 -1.670 1.00 -0.12 C ATOM 1016 CD PRO A 71 10.008 -2.877 -1.130 1.00 -0.01 C ATOM 1017 HA PRO A 71 11.161 -4.981 1.029 1.00 0.05 H ATOM 1018 HB2 PRO A 71 13.102 -4.293 -0.875 1.00 0.06 H ATOM 1019 HB3 PRO A 71 11.588 -5.162 -1.282 1.00 0.06 H ATOM 1020 HG2 PRO A 71 12.048 -2.148 -1.432 1.00 0.06 H ATOM 1021 HG3 PRO A 71 11.479 -3.206 -2.759 1.00 0.06 H ATOM 1022 HD2 PRO A 71 9.651 -1.853 -1.294 1.00 0.06 H ATOM 1023 HD3 PRO A 71 9.330 -3.605 -1.604 1.00 0.06 H ATOM 1024 N LYS A 72 12.366 -1.909 1.541 1.00 -0.46 N ATOM 1025 CA LYS A 72 13.245 -1.224 2.494 1.00 0.04 C ATOM 1026 C LYS A 72 12.938 -1.701 3.900 1.00 0.62 C ATOM 1027 O LYS A 72 13.868 -1.841 4.678 1.00 -0.50 O ATOM 1028 CB LYS A 72 13.176 0.330 2.439 1.00 -0.10 C ATOM 1029 CG LYS A 72 13.730 0.893 1.099 1.00 -0.16 C ATOM 1030 CD LYS A 72 13.648 2.445 1.039 1.00 -0.18 C ATOM 1031 CE LYS A 72 14.219 2.982 -0.302 1.00 -0.04 C ATOM 1032 NZ LYS A 72 14.069 4.451 -0.422 1.00 -0.14 N ATOM 1033 H LYS A 72 11.743 -1.365 0.977 1.00 0.25 H ATOM 1034 HA LYS A 72 14.283 -1.518 2.262 1.00 0.05 H ATOM 1035 HB2 LYS A 72 12.140 0.664 2.598 1.00 0.04 H ATOM 1036 HB3 LYS A 72 13.787 0.740 3.260 1.00 0.04 H ATOM 1037 HG2 LYS A 72 14.782 0.583 0.987 1.00 0.12 H ATOM 1038 HG3 LYS A 72 13.163 0.467 0.258 1.00 0.12 H ATOM 1039 HD2 LYS A 72 12.598 2.763 1.139 1.00 0.12 H ATOM 1040 HD3 LYS A 72 14.216 2.877 1.879 1.00 0.12 H ATOM 1041 HE2 LYS A 72 15.287 2.711 -0.373 1.00 0.10 H ATOM 1042 HE3 LYS A 72 13.691 2.496 -1.140 1.00 0.10 H ATOM 1043 HZ1 LYS A 72 14.512 4.829 -1.335 1.00 0.29 H ATOM 1044 HZ2 LYS A 72 13.033 4.762 -0.450 1.00 0.29 H ATOM 1045 HZ3 LYS A 72 14.536 4.987 0.393 1.00 0.29 H ATOM 1046 N CYS A 73 11.659 -1.982 4.252 1.00 -0.46 N ATOM 1047 CA CYS A 73 11.360 -2.614 5.541 1.00 0.04 C ATOM 1048 C CYS A 73 11.236 -4.114 5.372 1.00 0.62 C ATOM 1049 O CYS A 73 10.216 -4.690 5.716 1.00 -0.50 O ATOM 1050 CB CYS A 73 10.117 -1.978 6.216 1.00 -0.10 C ATOM 1051 SG CYS A 73 10.543 -0.303 6.799 1.00 0.82 S ATOM 1052 H CYS A 73 10.909 -1.858 3.597 1.00 0.25 H ATOM 1053 HA CYS A 73 12.182 -2.487 6.265 1.00 0.05 H ATOM 1054 HB2 CYS A 73 9.310 -1.918 5.483 1.00 0.05 H ATOM 1055 HB3 CYS A 73 9.772 -2.577 7.072 1.00 0.05 H ATOM 1056 N GLY A 74 12.304 -4.775 4.873 1.00 -0.46 N ATOM 1057 CA GLY A 74 12.412 -6.226 5.025 1.00 0.04 C ATOM 1058 C GLY A 74 11.629 -7.103 4.076 1.00 0.62 C ATOM 1059 O GLY A 74 12.056 -8.237 3.924 1.00 -0.50 O ATOM 1060 H GLY A 74 13.085 -4.279 4.487 1.00 0.25 H ATOM 1061 HA2 GLY A 74 13.475 -6.509 4.934 1.00 0.03 H ATOM 1062 HA3 GLY A 74 12.103 -6.505 6.044 1.00 0.03 H ATOM 1063 N VAL A 75 10.501 -6.686 3.451 1.00 -0.46 N ATOM 1064 CA VAL A 75 9.729 -7.652 2.661 1.00 0.04 C ATOM 1065 C VAL A 75 8.831 -7.010 1.620 1.00 0.62 C ATOM 1066 O VAL A 75 8.288 -5.947 1.881 1.00 -0.50 O ATOM 1067 CB VAL A 75 8.917 -8.567 3.626 1.00 -0.01 C ATOM 1068 CG1 VAL A 75 7.927 -7.744 4.494 1.00 -0.09 C ATOM 1069 CG2 VAL A 75 8.173 -9.698 2.866 1.00 -0.09 C ATOM 1070 H VAL A 75 10.143 -5.758 3.566 1.00 0.25 H ATOM 1071 HA VAL A 75 10.444 -8.282 2.107 1.00 0.05 H ATOM 1072 HB VAL A 75 9.626 -9.056 4.317 1.00 0.02 H ATOM 1073 HG11 VAL A 75 7.375 -8.417 5.166 1.00 0.03 H ATOM 1074 HG12 VAL A 75 8.464 -7.006 5.109 1.00 0.03 H ATOM 1075 HG13 VAL A 75 7.198 -7.214 3.867 1.00 0.03 H ATOM 1076 HG21 VAL A 75 7.672 -10.373 3.577 1.00 0.03 H ATOM 1077 HG22 VAL A 75 7.410 -9.283 2.195 1.00 0.03 H ATOM 1078 HG23 VAL A 75 8.881 -10.293 2.268 1.00 0.03 H ATOM 1079 N ASN A 76 8.661 -7.645 0.431 1.00 -0.46 N ATOM 1080 CA ASN A 76 7.826 -7.068 -0.622 1.00 0.04 C ATOM 1081 C ASN A 76 6.412 -7.608 -0.562 1.00 0.62 C ATOM 1082 O ASN A 76 6.212 -8.690 -0.034 1.00 -0.50 O ATOM 1083 CB ASN A 76 8.433 -7.356 -2.021 1.00 -0.09 C ATOM 1084 CG ASN A 76 8.385 -8.835 -2.318 1.00 0.68 C ATOM 1085 OD1 ASN A 76 9.323 -9.533 -1.972 1.00 -0.47 O ATOM 1086 ND2 ASN A 76 7.307 -9.354 -2.940 1.00 -0.87 N ATOM 1087 H ASN A 76 9.081 -8.537 0.249 1.00 0.25 H ATOM 1088 HA ASN A 76 7.813 -5.974 -0.515 1.00 0.05 H ATOM 1089 HB2 ASN A 76 7.884 -6.802 -2.799 1.00 0.04 H ATOM 1090 HB3 ASN A 76 9.479 -7.009 -2.039 1.00 0.04 H ATOM 1091 HD21 ASN A 76 6.534 -8.785 -3.227 1.00 0.34 H ATOM 1092 HD22 ASN A 76 7.281 -10.337 -3.124 1.00 0.34 H ATOM 1093 N LEU A 77 5.422 -6.871 -1.116 1.00 -0.46 N ATOM 1094 CA LEU A 77 4.048 -7.387 -1.210 1.00 0.04 C ATOM 1095 C LEU A 77 3.948 -8.351 -2.380 1.00 0.62 C ATOM 1096 O LEU A 77 4.769 -8.220 -3.275 1.00 -0.50 O ATOM 1097 CB LEU A 77 2.906 -6.315 -1.278 1.00 -0.06 C ATOM 1098 CG LEU A 77 3.319 -4.829 -1.499 1.00 -0.01 C ATOM 1099 CD1 LEU A 77 3.897 -4.543 -2.917 1.00 -0.11 C ATOM 1100 CD2 LEU A 77 2.073 -3.926 -1.278 1.00 -0.11 C ATOM 1101 H LEU A 77 5.670 -6.012 -1.554 1.00 0.25 H ATOM 1102 HA LEU A 77 3.878 -7.993 -0.306 1.00 0.05 H ATOM 1103 HB2 LEU A 77 2.187 -6.574 -2.073 1.00 0.03 H ATOM 1104 HB3 LEU A 77 2.354 -6.347 -0.323 1.00 0.03 H ATOM 1105 HG LEU A 77 4.063 -4.553 -0.733 1.00 0.03 H ATOM 1106 HD11 LEU A 77 4.430 -5.400 -3.355 1.00 0.03 H ATOM 1107 HD12 LEU A 77 3.082 -4.282 -3.598 1.00 0.03 H ATOM 1108 HD13 LEU A 77 4.583 -3.682 -2.885 1.00 0.03 H ATOM 1109 HD21 LEU A 77 1.240 -4.239 -1.927 1.00 0.03 H ATOM 1110 HD22 LEU A 77 1.747 -4.006 -0.230 1.00 0.03 H ATOM 1111 HD23 LEU A 77 2.305 -2.875 -1.506 1.00 0.03 H ATOM 1112 N PRO A 78 3.001 -9.328 -2.437 1.00 -0.23 N ATOM 1113 CA PRO A 78 2.994 -10.271 -3.553 1.00 0.04 C ATOM 1114 C PRO A 78 2.748 -9.646 -4.914 1.00 0.53 C ATOM 1115 O PRO A 78 3.386 -10.084 -5.857 1.00 -0.50 O ATOM 1116 CB PRO A 78 1.858 -11.235 -3.117 1.00 -0.12 C ATOM 1117 CG PRO A 78 1.004 -10.434 -2.104 1.00 -0.12 C ATOM 1118 CD PRO A 78 2.039 -9.558 -1.364 1.00 -0.01 C ATOM 1119 HA PRO A 78 3.956 -10.812 -3.580 1.00 0.05 H ATOM 1120 HB2 PRO A 78 1.276 -11.614 -3.971 1.00 0.06 H ATOM 1121 HB3 PRO A 78 2.295 -12.099 -2.593 1.00 0.06 H ATOM 1122 HG2 PRO A 78 0.303 -9.781 -2.645 1.00 0.06 H ATOM 1123 HG3 PRO A 78 0.421 -11.074 -1.421 1.00 0.06 H ATOM 1124 HD2 PRO A 78 1.555 -8.661 -0.949 1.00 0.06 H ATOM 1125 HD3 PRO A 78 2.521 -10.130 -0.555 1.00 0.06 H ATOM 1126 N TYR A 79 1.854 -8.639 -5.050 1.00 -0.46 N ATOM 1127 CA TYR A 79 1.698 -7.909 -6.318 1.00 0.04 C ATOM 1128 C TYR A 79 2.220 -6.523 -6.050 1.00 0.62 C ATOM 1129 O TYR A 79 2.453 -6.231 -4.890 1.00 -0.50 O ATOM 1130 CB TYR A 79 0.243 -7.828 -6.867 1.00 -0.10 C ATOM 1131 CG TYR A 79 -0.757 -7.300 -5.831 1.00 -0.03 C ATOM 1132 CD1 TYR A 79 -1.178 -8.176 -4.830 1.00 0.00 C ATOM 1133 CD2 TYR A 79 -1.272 -5.998 -5.855 1.00 0.00 C ATOM 1134 CE1 TYR A 79 -2.105 -7.776 -3.871 1.00 -0.26 C ATOM 1135 CE2 TYR A 79 -2.230 -5.605 -4.911 1.00 -0.26 C ATOM 1136 CZ TYR A 79 -2.657 -6.496 -3.924 1.00 0.46 C ATOM 1137 OH TYR A 79 -3.628 -6.096 -3.012 1.00 -0.53 O ATOM 1138 H TYR A 79 1.390 -8.278 -4.243 1.00 0.25 H ATOM 1139 HA TYR A 79 2.329 -8.333 -7.116 1.00 0.05 H ATOM 1140 HB2 TYR A 79 0.199 -7.202 -7.772 1.00 0.04 H ATOM 1141 HB3 TYR A 79 -0.072 -8.838 -7.171 1.00 0.04 H ATOM 1142 HD1 TYR A 79 -0.774 -9.176 -4.798 1.00 0.06 H ATOM 1143 HD2 TYR A 79 -0.936 -5.285 -6.603 1.00 0.06 H ATOM 1144 HE1 TYR A 79 -2.391 -8.466 -3.089 1.00 0.10 H ATOM 1145 HE2 TYR A 79 -2.646 -4.604 -4.936 1.00 0.10 H ATOM 1146 HH TYR A 79 -3.452 -6.436 -2.143 1.00 0.33 H ATOM 1147 N THR A 80 2.418 -5.666 -7.075 1.00 -0.46 N ATOM 1148 CA THR A 80 2.919 -4.322 -6.804 1.00 0.04 C ATOM 1149 C THR A 80 1.774 -3.483 -6.274 1.00 0.62 C ATOM 1150 O THR A 80 1.272 -3.810 -5.211 1.00 -0.50 O ATOM 1151 CB THR A 80 3.652 -3.728 -8.039 1.00 0.17 C ATOM 1152 OG1 THR A 80 2.681 -3.610 -9.092 1.00 -0.55 O ATOM 1153 CG2 THR A 80 4.834 -4.633 -8.482 1.00 -0.19 C ATOM 1154 H THR A 80 2.191 -5.908 -8.018 1.00 0.25 H ATOM 1155 HA THR A 80 3.679 -4.361 -6.007 1.00 0.05 H ATOM 1156 HB THR A 80 4.052 -2.730 -7.778 1.00 0.08 H ATOM 1157 HG1 THR A 80 3.046 -3.252 -9.896 1.00 0.31 H ATOM 1158 HG21 THR A 80 5.371 -4.169 -9.324 1.00 0.07 H ATOM 1159 HG22 THR A 80 5.545 -4.772 -7.652 1.00 0.07 H ATOM 1160 HG23 THR A 80 4.476 -5.621 -8.805 1.00 0.07 H ATOM 1161 N ILE A 81 1.334 -2.399 -6.951 1.00 -0.46 N ATOM 1162 CA ILE A 81 0.390 -1.460 -6.336 1.00 0.04 C ATOM 1163 C ILE A 81 -0.557 -0.974 -7.418 1.00 0.62 C ATOM 1164 O ILE A 81 -0.550 -1.591 -8.470 1.00 -0.50 O ATOM 1165 CB ILE A 81 1.218 -0.379 -5.566 1.00 -0.01 C ATOM 1166 CG1 ILE A 81 2.136 0.430 -6.530 1.00 -0.05 C ATOM 1167 CG2 ILE A 81 2.034 -1.013 -4.400 1.00 -0.09 C ATOM 1168 CD1 ILE A 81 2.926 1.562 -5.817 1.00 -0.09 C ATOM 1169 H ILE A 81 1.661 -2.187 -7.873 1.00 0.25 H ATOM 1170 HA ILE A 81 -0.276 -1.973 -5.623 1.00 0.05 H ATOM 1171 HB ILE A 81 0.521 0.321 -5.084 1.00 0.02 H ATOM 1172 HG12 ILE A 81 2.864 -0.236 -7.021 1.00 0.03 H ATOM 1173 HG13 ILE A 81 1.509 0.879 -7.315 1.00 0.03 H ATOM 1174 HG21 ILE A 81 2.441 -0.240 -3.732 1.00 0.03 H ATOM 1175 HG22 ILE A 81 1.390 -1.661 -3.786 1.00 0.03 H ATOM 1176 HG23 ILE A 81 2.877 -1.608 -4.783 1.00 0.03 H ATOM 1177 HD11 ILE A 81 3.734 1.143 -5.202 1.00 0.03 H ATOM 1178 HD12 ILE A 81 3.378 2.235 -6.562 1.00 0.03 H ATOM 1179 HD13 ILE A 81 2.272 2.155 -5.163 1.00 0.03 H ATOM 1180 N SER A 82 -1.391 0.072 -7.210 1.00 -0.46 N ATOM 1181 CA SER A 82 -2.411 0.442 -8.196 1.00 0.04 C ATOM 1182 C SER A 82 -2.415 1.933 -8.452 1.00 0.62 C ATOM 1183 O SER A 82 -3.475 2.499 -8.668 1.00 -0.50 O ATOM 1184 CB SER A 82 -3.785 -0.001 -7.630 1.00 0.02 C ATOM 1185 OG SER A 82 -3.842 -1.421 -7.420 1.00 -0.55 O ATOM 1186 H SER A 82 -1.385 0.576 -6.352 1.00 0.25 H ATOM 1187 HA SER A 82 -2.279 -0.060 -9.167 1.00 0.05 H ATOM 1188 HB2 SER A 82 -4.008 0.547 -6.701 1.00 0.12 H ATOM 1189 HB3 SER A 82 -4.571 0.245 -8.355 1.00 0.12 H ATOM 1190 HG SER A 82 -3.136 -1.761 -6.880 1.00 0.31 H ATOM 1191 N LEU A 83 -1.248 2.608 -8.424 1.00 -0.46 N ATOM 1192 CA LEU A 83 -1.244 4.067 -8.539 1.00 0.04 C ATOM 1193 C LEU A 83 -1.231 4.447 -10.001 1.00 0.62 C ATOM 1194 O LEU A 83 -2.209 5.003 -10.476 1.00 -0.50 O ATOM 1195 CB LEU A 83 -0.052 4.699 -7.765 1.00 -0.06 C ATOM 1196 CG LEU A 83 -0.273 4.737 -6.222 1.00 -0.01 C ATOM 1197 CD1 LEU A 83 -0.659 3.353 -5.633 1.00 -0.11 C ATOM 1198 CD2 LEU A 83 1.016 5.259 -5.532 1.00 -0.11 C ATOM 1199 H LEU A 83 -0.379 2.122 -8.342 1.00 0.25 H ATOM 1200 HA LEU A 83 -2.153 4.500 -8.092 1.00 0.05 H ATOM 1201 HB2 LEU A 83 0.875 4.150 -7.990 1.00 0.03 H ATOM 1202 HB3 LEU A 83 0.081 5.736 -8.116 1.00 0.03 H ATOM 1203 HG LEU A 83 -1.093 5.445 -6.009 1.00 0.03 H ATOM 1204 HD11 LEU A 83 -1.677 3.068 -5.934 1.00 0.03 H ATOM 1205 HD12 LEU A 83 0.049 2.597 -5.989 1.00 0.03 H ATOM 1206 HD13 LEU A 83 -0.622 3.357 -4.533 1.00 0.03 H ATOM 1207 HD21 LEU A 83 0.884 5.339 -4.443 1.00 0.03 H ATOM 1208 HD22 LEU A 83 1.860 4.582 -5.725 1.00 0.03 H ATOM 1209 HD23 LEU A 83 1.259 6.252 -5.932 1.00 0.03 H ATOM 1210 N ASN A 84 -0.131 4.147 -10.729 1.00 -0.46 N ATOM 1211 CA ASN A 84 0.003 4.596 -12.117 1.00 0.04 C ATOM 1212 C ASN A 84 -0.139 3.408 -13.046 1.00 0.62 C ATOM 1213 O ASN A 84 0.638 3.281 -13.976 1.00 -0.50 O ATOM 1214 CB ASN A 84 1.376 5.323 -12.195 1.00 -0.09 C ATOM 1215 CG ASN A 84 1.605 6.126 -13.450 1.00 0.68 C ATOM 1216 OD1 ASN A 84 0.824 6.042 -14.384 1.00 -0.47 O ATOM 1217 ND2 ASN A 84 2.686 6.933 -13.493 1.00 -0.87 N ATOM 1218 H ASN A 84 0.622 3.618 -10.334 1.00 0.25 H ATOM 1219 HA ASN A 84 -0.775 5.326 -12.394 1.00 0.05 H ATOM 1220 HB2 ASN A 84 1.438 6.022 -11.345 1.00 0.04 H ATOM 1221 HB3 ASN A 84 2.189 4.586 -12.095 1.00 0.04 H ATOM 1222 HD21 ASN A 84 3.308 7.015 -12.707 1.00 0.34 H ATOM 1223 HD22 ASN A 84 2.862 7.473 -14.315 1.00 0.34 H ATOM 1224 N ILE A 85 -1.129 2.521 -12.782 1.00 -0.46 N ATOM 1225 CA ILE A 85 -1.289 1.283 -13.554 1.00 0.04 C ATOM 1226 C ILE A 85 -2.607 0.606 -13.198 1.00 0.62 C ATOM 1227 O ILE A 85 -3.260 1.038 -12.258 1.00 -0.50 O ATOM 1228 CB ILE A 85 -0.102 0.259 -13.418 1.00 -0.01 C ATOM 1229 CG1 ILE A 85 0.817 0.468 -12.176 1.00 -0.05 C ATOM 1230 CG2 ILE A 85 0.757 0.182 -14.715 1.00 -0.09 C ATOM 1231 CD1 ILE A 85 0.056 0.286 -10.840 1.00 -0.09 C ATOM 1232 H ILE A 85 -1.783 2.701 -12.045 1.00 0.25 H ATOM 1233 HA ILE A 85 -1.413 1.579 -14.608 1.00 0.05 H ATOM 1234 HB ILE A 85 -0.515 -0.759 -13.301 1.00 0.02 H ATOM 1235 HG12 ILE A 85 1.618 -0.291 -12.194 1.00 0.03 H ATOM 1236 HG13 ILE A 85 1.307 1.452 -12.198 1.00 0.03 H ATOM 1237 HG21 ILE A 85 1.282 1.127 -14.905 1.00 0.03 H ATOM 1238 HG22 ILE A 85 1.513 -0.615 -14.635 1.00 0.03 H ATOM 1239 HG23 ILE A 85 0.123 -0.047 -15.587 1.00 0.03 H ATOM 1240 HD11 ILE A 85 -0.434 -0.699 -10.827 1.00 0.03 H ATOM 1241 HD12 ILE A 85 0.756 0.346 -9.991 1.00 0.03 H ATOM 1242 HD13 ILE A 85 -0.708 1.061 -10.712 1.00 0.03 H ATOM 1243 N ASP A 86 -3.008 -0.456 -13.942 1.00 -0.46 N ATOM 1244 CA ASP A 86 -4.228 -1.197 -13.604 1.00 0.04 C ATOM 1245 C ASP A 86 -4.191 -1.686 -12.169 1.00 0.62 C ATOM 1246 O ASP A 86 -3.122 -1.710 -11.580 1.00 -0.50 O ATOM 1247 CB ASP A 86 -4.418 -2.406 -14.564 1.00 -0.40 C ATOM 1248 CG ASP A 86 -5.646 -3.227 -14.264 1.00 0.71 C ATOM 1249 OD1 ASP A 86 -6.644 -2.642 -13.759 1.00 -0.72 O ATOM 1250 OD2 ASP A 86 -5.624 -4.461 -14.511 1.00 -0.72 O ATOM 1251 H ASP A 86 -2.472 -0.754 -14.734 1.00 0.25 H ATOM 1252 HA ASP A 86 -5.083 -0.510 -13.718 1.00 0.05 H ATOM 1253 HB2 ASP A 86 -4.498 -2.050 -15.603 1.00 0.07 H ATOM 1254 HB3 ASP A 86 -3.535 -3.060 -14.486 1.00 0.07 H ATOM 1255 N CYS A 87 -5.345 -2.068 -11.569 1.00 -0.46 N ATOM 1256 CA CYS A 87 -5.330 -2.451 -10.161 1.00 0.04 C ATOM 1257 C CYS A 87 -4.568 -3.739 -9.932 1.00 0.62 C ATOM 1258 O CYS A 87 -3.691 -3.740 -9.085 1.00 -0.50 O ATOM 1259 CB CYS A 87 -6.746 -2.527 -9.518 1.00 -0.10 C ATOM 1260 SG CYS A 87 -6.652 -2.094 -7.746 1.00 0.82 S ATOM 1261 H CYS A 87 -6.214 -2.069 -12.071 1.00 0.25 H ATOM 1262 HA CYS A 87 -4.794 -1.634 -9.667 1.00 0.05 H ATOM 1263 HB2 CYS A 87 -7.402 -1.768 -9.967 1.00 0.05 H ATOM 1264 HB3 CYS A 87 -7.215 -3.510 -9.664 1.00 0.05 H ATOM 1265 N SER A 88 -4.920 -4.829 -10.654 1.00 -0.46 N ATOM 1266 CA SER A 88 -4.302 -6.142 -10.423 1.00 0.04 C ATOM 1267 C SER A 88 -4.694 -6.697 -9.067 1.00 0.62 C ATOM 1268 O SER A 88 -4.543 -5.979 -8.092 1.00 -0.50 O ATOM 1269 CB SER A 88 -2.760 -6.125 -10.592 1.00 0.02 C ATOM 1270 OG SER A 88 -2.456 -5.510 -11.856 1.00 -0.55 O ATOM 1271 H SER A 88 -5.630 -4.751 -11.359 1.00 0.25 H ATOM 1272 HA SER A 88 -4.676 -6.823 -11.208 1.00 0.05 H ATOM 1273 HB2 SER A 88 -2.279 -5.568 -9.772 1.00 0.12 H ATOM 1274 HB3 SER A 88 -2.376 -7.160 -10.568 1.00 0.12 H ATOM 1275 HG SER A 88 -1.522 -5.459 -12.035 1.00 0.31 H ATOM 1276 N ARG A 89 -5.204 -7.949 -8.954 1.00 -0.46 N ATOM 1277 CA ARG A 89 -5.658 -8.448 -7.650 1.00 0.04 C ATOM 1278 C ARG A 89 -6.017 -9.923 -7.640 1.00 0.62 C ATOM 1279 O ARG A 89 -5.524 -10.623 -6.767 1.00 -0.50 O ATOM 1280 CB ARG A 89 -6.827 -7.632 -7.018 1.00 -0.08 C ATOM 1281 CG ARG A 89 -8.156 -7.538 -7.822 1.00 -0.10 C ATOM 1282 CD ARG A 89 -8.026 -6.781 -9.172 1.00 -0.23 C ATOM 1283 NE ARG A 89 -9.355 -6.532 -9.750 1.00 -0.32 N ATOM 1284 CZ ARG A 89 -10.172 -5.573 -9.366 1.00 0.76 C ATOM 1285 NH1 ARG A 89 -9.891 -4.730 -8.403 1.00 -0.62 N ATOM 1286 NH2 ARG A 89 -11.330 -5.448 -9.968 1.00 -0.62 N ATOM 1287 H ARG A 89 -5.263 -8.551 -9.751 1.00 0.25 H ATOM 1288 HA ARG A 89 -4.795 -8.342 -6.966 1.00 0.05 H ATOM 1289 HB2 ARG A 89 -7.048 -8.070 -6.029 1.00 0.06 H ATOM 1290 HB3 ARG A 89 -6.490 -6.605 -6.838 1.00 0.06 H ATOM 1291 HG2 ARG A 89 -8.582 -8.535 -7.995 1.00 0.07 H ATOM 1292 HG3 ARG A 89 -8.881 -7.001 -7.193 1.00 0.07 H ATOM 1293 HD2 ARG A 89 -7.432 -5.862 -9.073 1.00 0.13 H ATOM 1294 HD3 ARG A 89 -7.469 -7.417 -9.876 1.00 0.13 H ATOM 1295 HE ARG A 89 -9.649 -7.153 -10.522 1.00 0.27 H ATOM 1296 HH11 ARG A 89 -9.009 -4.774 -7.891 1.00 0.36 H ATOM 1297 HH12 ARG A 89 -10.563 -4.001 -8.118 1.00 0.36 H ATOM 1298 HH21 ARG A 89 -11.606 -6.080 -10.733 1.00 0.36 H ATOM 1299 HH22 ARG A 89 -11.996 -4.711 -9.696 1.00 0.36 H ATOM 1300 N VAL A 90 -6.863 -10.431 -8.565 1.00 -0.46 N ATOM 1301 CA VAL A 90 -7.323 -11.821 -8.489 1.00 0.04 C ATOM 1302 C VAL A 90 -7.532 -12.339 -9.894 1.00 0.62 C ATOM 1303 O VAL A 90 -7.822 -11.574 -10.802 1.00 -0.50 O ATOM 1304 CB VAL A 90 -8.642 -11.905 -7.660 1.00 -0.01 C ATOM 1305 CG1 VAL A 90 -9.252 -13.334 -7.708 1.00 -0.09 C ATOM 1306 CG2 VAL A 90 -8.420 -11.485 -6.178 1.00 -0.09 C ATOM 1307 OXT VAL A 90 -7.372 -13.656 -10.069 1.00 0.00 O ATOM 1308 H VAL A 90 -7.231 -9.870 -9.307 1.00 0.25 H ATOM 1309 HA VAL A 90 -6.559 -12.465 -8.023 1.00 0.05 H ATOM 1310 HB VAL A 90 -9.375 -11.210 -8.106 1.00 0.02 H ATOM 1311 HG11 VAL A 90 -8.508 -14.071 -7.370 1.00 0.03 H ATOM 1312 HG12 VAL A 90 -10.137 -13.399 -7.057 1.00 0.03 H ATOM 1313 HG13 VAL A 90 -9.573 -13.599 -8.727 1.00 0.03 H ATOM 1314 HG21 VAL A 90 -8.109 -10.434 -6.104 1.00 0.03 H ATOM 1315 HG22 VAL A 90 -9.350 -11.592 -5.598 1.00 0.03 H ATOM 1316 HG23 VAL A 90 -7.647 -12.116 -5.713 1.00 0.03 H ATOM 1317 HXT VAL A 90 -7.513 -13.932 -10.968 1.00 0.00 H