ATOM 58 N CYS A 6 12.764 9.575 5.212 1.00 0.62 N ATOM 59 CA CYS A 6 12.407 8.257 5.721 1.00 0.41 C ATOM 60 C CYS A 6 10.898 8.128 5.890 1.00 0.34 C ATOM 61 O CYS A 6 10.410 7.224 6.571 1.00 0.34 O ATOM 62 CB CYS A 6 13.107 8.000 7.058 1.00 0.49 C ATOM 63 SG CYS A 6 14.926 8.039 6.962 1.00 0.59 S ATOM 64 H CYS A 6 12.732 10.346 5.818 1.00 0.76 H ATOM 65 HA CYS A 6 12.742 7.524 5.002 1.00 0.36 H ATOM 66 HB2 CYS A 6 12.799 8.757 7.765 1.00 0.62 H ATOM 67 HB3 CYS A 6 12.816 7.027 7.428 1.00 0.46 H ATOM 68 N ALA A 7 10.161 9.030 5.262 1.00 0.32 N ATOM 69 CA ALA A 7 8.712 9.031 5.355 1.00 0.27 C ATOM 70 C ALA A 7 8.102 9.701 4.137 1.00 0.25 C ATOM 71 O ALA A 7 8.678 10.635 3.584 1.00 0.31 O ATOM 72 CB ALA A 7 8.260 9.731 6.629 1.00 0.31 C ATOM 73 H ALA A 7 10.602 9.708 4.710 1.00 0.36 H ATOM 74 HA ALA A 7 8.378 8.004 5.396 1.00 0.25 H ATOM 75 HB1 ALA A 7 8.584 10.761 6.607 1.00 1.07 H ATOM 76 HB2 ALA A 7 8.692 9.237 7.486 1.00 1.06 H ATOM 77 HB3 ALA A 7 7.182 9.695 6.697 1.00 0.97 H ATOM 78 N ALA A 8 6.944 9.222 3.718 1.00 0.22 N ATOM 79 CA ALA A 8 6.251 9.790 2.573 1.00 0.22 C ATOM 80 C ALA A 8 4.745 9.715 2.771 1.00 0.19 C ATOM 81 O ALA A 8 4.234 8.747 3.338 1.00 0.20 O ATOM 82 CB ALA A 8 6.653 9.071 1.294 1.00 0.27 C ATOM 83 H ALA A 8 6.539 8.461 4.194 1.00 0.23 H ATOM 84 HA ALA A 8 6.543 10.827 2.485 1.00 0.25 H ATOM 85 HB1 ALA A 8 7.723 9.140 1.164 1.00 1.08 H ATOM 86 HB2 ALA A 8 6.158 9.531 0.451 1.00 1.00 H ATOM 87 HB3 ALA A 8 6.364 8.032 1.359 1.00 0.99 H ATOM 88 N THR A 9 4.039 10.737 2.319 1.00 0.23 N ATOM 89 CA THR A 9 2.595 10.766 2.438 1.00 0.23 C ATOM 90 C THR A 9 1.941 10.531 1.085 1.00 0.23 C ATOM 91 O THR A 9 2.301 11.159 0.089 1.00 0.29 O ATOM 92 CB THR A 9 2.102 12.109 3.006 1.00 0.29 C ATOM 93 OG1 THR A 9 2.862 12.458 4.169 1.00 0.84 O ATOM 94 CG2 THR A 9 0.627 12.030 3.372 1.00 0.70 C ATOM 95 H THR A 9 4.497 11.486 1.884 1.00 0.29 H ATOM 96 HA THR A 9 2.299 9.978 3.113 1.00 0.25 H ATOM 97 HB THR A 9 2.232 12.872 2.254 1.00 0.73 H ATOM 98 HG1 THR A 9 3.599 11.841 4.267 1.00 1.35 H ATOM 99 HG21 THR A 9 0.484 11.274 4.130 1.00 1.36 H ATOM 100 HG22 THR A 9 0.052 11.773 2.495 1.00 1.15 H ATOM 101 HG23 THR A 9 0.298 12.985 3.751 1.00 1.45 H ATOM 102 N VAL A 10 0.991 9.616 1.056 1.00 0.21 N ATOM 103 CA VAL A 10 0.227 9.335 -0.144 1.00 0.22 C ATOM 104 C VAL A 10 -1.246 9.583 0.127 1.00 0.22 C ATOM 105 O VAL A 10 -1.773 9.163 1.155 1.00 0.26 O ATOM 106 CB VAL A 10 0.422 7.878 -0.616 1.00 0.29 C ATOM 107 CG1 VAL A 10 -0.391 7.604 -1.874 1.00 0.62 C ATOM 108 CG2 VAL A 10 1.894 7.580 -0.859 1.00 0.87 C ATOM 109 H VAL A 10 0.786 9.114 1.881 1.00 0.22 H ATOM 110 HA VAL A 10 0.565 10.002 -0.926 1.00 0.23 H ATOM 111 HB VAL A 10 0.068 7.220 0.166 1.00 0.77 H ATOM 112 HG11 VAL A 10 -0.057 8.257 -2.666 1.00 1.22 H ATOM 113 HG12 VAL A 10 -1.436 7.788 -1.672 1.00 1.35 H ATOM 114 HG13 VAL A 10 -0.257 6.575 -2.172 1.00 1.12 H ATOM 115 HG21 VAL A 10 2.006 6.553 -1.168 1.00 1.29 H ATOM 116 HG22 VAL A 10 2.450 7.745 0.052 1.00 1.49 H ATOM 117 HG23 VAL A 10 2.269 8.233 -1.632 1.00 1.54 H ATOM 118 N GLU A 11 -1.907 10.277 -0.777 1.00 0.23 N ATOM 119 CA GLU A 11 -3.319 10.558 -0.609 1.00 0.25 C ATOM 120 C GLU A 11 -4.154 9.709 -1.555 1.00 0.23 C ATOM 121 O GLU A 11 -3.755 9.439 -2.691 1.00 0.29 O ATOM 122 CB GLU A 11 -3.617 12.044 -0.829 1.00 0.29 C ATOM 123 CG GLU A 11 -2.857 12.970 0.110 1.00 1.09 C ATOM 124 CD GLU A 11 -3.206 14.426 -0.100 1.00 1.31 C ATOM 125 OE1 GLU A 11 -4.189 14.894 0.508 1.00 1.14 O1- ATOM 126 OE2 GLU A 11 -2.497 15.113 -0.868 1.00 1.98 O ATOM 127 H GLU A 11 -1.442 10.602 -1.573 1.00 0.27 H ATOM 128 HA GLU A 11 -3.583 10.298 0.405 1.00 0.29 H ATOM 129 HB2 GLU A 11 -3.361 12.304 -1.847 1.00 0.76 H ATOM 130 HB3 GLU A 11 -4.675 12.210 -0.683 1.00 0.80 H ATOM 131 HG2 GLU A 11 -3.096 12.705 1.128 1.00 1.71 H ATOM 132 HG3 GLU A 11 -1.795 12.841 -0.055 1.00 1.60 H ATOM 133 N SER A 12 -5.293 9.270 -1.057 1.00 0.22 N ATOM 134 CA SER A 12 -6.267 8.553 -1.854 1.00 0.21 C ATOM 135 C SER A 12 -7.595 9.297 -1.793 1.00 0.20 C ATOM 136 O SER A 12 -8.009 9.761 -0.728 1.00 0.23 O ATOM 137 CB SER A 12 -6.422 7.118 -1.340 1.00 0.29 C ATOM 138 OG SER A 12 -6.522 7.091 0.076 1.00 0.97 O ATOM 139 H SER A 12 -5.496 9.443 -0.111 1.00 0.26 H ATOM 140 HA SER A 12 -5.916 8.537 -2.875 1.00 0.21 H ATOM 141 HB2 SER A 12 -7.317 6.684 -1.758 1.00 0.62 H ATOM 142 HB3 SER A 12 -5.566 6.531 -1.639 1.00 0.49 H ATOM 143 HG SER A 12 -5.857 6.495 0.431 1.00 1.18 H ATOM 144 N ASN A 13 -8.259 9.422 -2.923 1.00 0.19 N ATOM 145 CA ASN A 13 -9.447 10.255 -3.003 1.00 0.24 C ATOM 146 C ASN A 13 -10.648 9.457 -3.493 1.00 0.24 C ATOM 147 O ASN A 13 -10.551 8.252 -3.739 1.00 0.19 O ATOM 148 CB ASN A 13 -9.176 11.452 -3.925 1.00 0.32 C ATOM 149 CG ASN A 13 -8.976 11.059 -5.380 1.00 0.34 C ATOM 150 OD1 ASN A 13 -8.675 9.908 -5.701 1.00 0.89 O ATOM 151 ND2 ASN A 13 -9.118 12.025 -6.270 1.00 1.14 N ATOM 152 H ASN A 13 -7.948 8.945 -3.723 1.00 0.19 H ATOM 153 HA ASN A 13 -9.658 10.620 -2.009 1.00 0.28 H ATOM 154 HB2 ASN A 13 -10.011 12.132 -3.872 1.00 0.38 H ATOM 155 HB3 ASN A 13 -8.285 11.962 -3.586 1.00 0.37 H ATOM 156 HD21 ASN A 13 -9.342 12.926 -5.945 1.00 1.79 H ATOM 157 HD22 ASN A 13 -8.976 11.809 -7.217 1.00 1.19 H ATOM 158 N ASP A 14 -11.777 10.142 -3.635 1.00 0.43 N ATOM 159 CA ASP A 14 -13.036 9.517 -4.036 1.00 0.51 C ATOM 160 C ASP A 14 -13.063 9.217 -5.532 1.00 0.43 C ATOM 161 O ASP A 14 -14.060 8.728 -6.063 1.00 0.48 O ATOM 162 CB ASP A 14 -14.210 10.427 -3.669 1.00 0.81 C ATOM 163 CG ASP A 14 -14.146 11.770 -4.367 1.00 1.53 C ATOM 164 OD1 ASP A 14 -13.313 12.613 -3.982 1.00 2.26 O1- ATOM 165 OD2 ASP A 14 -14.921 11.986 -5.322 1.00 1.86 O ATOM 166 H ASP A 14 -11.771 11.111 -3.458 1.00 0.55 H ATOM 167 HA ASP A 14 -13.130 8.586 -3.493 1.00 0.53 H ATOM 168 HB2 ASP A 14 -15.133 9.943 -3.947 1.00 1.03 H ATOM 169 HB3 ASP A 14 -14.205 10.598 -2.602 1.00 1.40 H ATOM 170 N ASN A 15 -11.965 9.509 -6.211 1.00 0.45 N ATOM 171 CA ASN A 15 -11.858 9.229 -7.635 1.00 0.48 C ATOM 172 C ASN A 15 -11.052 7.959 -7.854 1.00 0.41 C ATOM 173 O ASN A 15 -10.748 7.592 -8.990 1.00 0.47 O ATOM 174 CB ASN A 15 -11.207 10.400 -8.379 1.00 0.60 C ATOM 175 CG ASN A 15 -11.989 11.697 -8.256 1.00 0.93 C ATOM 176 OD1 ASN A 15 -11.407 12.782 -8.250 1.00 1.59 O ATOM 177 ND2 ASN A 15 -13.307 11.605 -8.166 1.00 1.58 N ATOM 178 H ASN A 15 -11.209 9.916 -5.744 1.00 0.49 H ATOM 179 HA ASN A 15 -12.856 9.077 -8.018 1.00 0.54 H ATOM 180 HB2 ASN A 15 -10.219 10.562 -7.980 1.00 0.96 H ATOM 181 HB3 ASN A 15 -11.128 10.147 -9.429 1.00 0.87 H ATOM 182 HD21 ASN A 15 -13.716 10.712 -8.183 1.00 2.09 H ATOM 183 HD22 ASN A 15 -13.825 12.435 -8.085 1.00 1.90 H ATOM 184 N MET A 16 -10.713 7.297 -6.744 1.00 0.36 N ATOM 185 CA MET A 16 -9.969 6.038 -6.763 1.00 0.39 C ATOM 186 C MET A 16 -8.591 6.219 -7.389 1.00 0.38 C ATOM 187 O MET A 16 -8.140 5.387 -8.174 1.00 0.54 O ATOM 188 CB MET A 16 -10.749 4.958 -7.524 1.00 0.50 C ATOM 189 CG MET A 16 -12.076 4.582 -6.887 1.00 0.58 C ATOM 190 SD MET A 16 -12.938 3.281 -7.793 1.00 1.03 S ATOM 191 CE MET A 16 -13.120 4.045 -9.404 1.00 1.92 C ATOM 192 H MET A 16 -10.978 7.671 -5.877 1.00 0.36 H ATOM 193 HA MET A 16 -9.840 5.719 -5.739 1.00 0.41 H ATOM 194 HB2 MET A 16 -10.945 5.314 -8.523 1.00 0.52 H ATOM 195 HB3 MET A 16 -10.142 4.069 -7.583 1.00 0.56 H ATOM 196 HG2 MET A 16 -11.893 4.236 -5.881 1.00 0.90 H ATOM 197 HG3 MET A 16 -12.705 5.459 -6.855 1.00 0.68 H ATOM 198 HE1 MET A 16 -13.679 3.388 -10.053 1.00 2.20 H ATOM 199 HE2 MET A 16 -12.144 4.226 -9.830 1.00 2.53 H ATOM 200 HE3 MET A 16 -13.646 4.982 -9.300 1.00 2.46 H ATOM 201 N GLN A 17 -7.915 7.302 -7.034 1.00 0.28 N ATOM 202 CA GLN A 17 -6.627 7.607 -7.631 1.00 0.33 C ATOM 203 C GLN A 17 -5.605 8.012 -6.574 1.00 0.28 C ATOM 204 O GLN A 17 -5.847 8.915 -5.772 1.00 0.40 O ATOM 205 CB GLN A 17 -6.786 8.726 -8.662 1.00 0.44 C ATOM 206 CG GLN A 17 -5.514 9.035 -9.433 1.00 0.77 C ATOM 207 CD GLN A 17 -5.012 7.858 -10.254 1.00 1.21 C ATOM 208 OE1 GLN A 17 -3.809 7.704 -10.459 1.00 1.78 O ATOM 209 NE2 GLN A 17 -5.924 7.028 -10.739 1.00 1.86 N ATOM 210 H GLN A 17 -8.288 7.907 -6.358 1.00 0.28 H ATOM 211 HA GLN A 17 -6.275 6.717 -8.132 1.00 0.41 H ATOM 212 HB2 GLN A 17 -7.551 8.444 -9.371 1.00 0.71 H ATOM 213 HB3 GLN A 17 -7.098 9.624 -8.151 1.00 0.83 H ATOM 214 HG2 GLN A 17 -5.705 9.861 -10.103 1.00 1.13 H ATOM 215 HG3 GLN A 17 -4.746 9.316 -8.727 1.00 0.81 H ATOM 216 HE21 GLN A 17 -6.870 7.210 -10.547 1.00 2.31 H ATOM 217 HE22 GLN A 17 -5.618 6.266 -11.275 1.00 2.23 H ATOM 218 N PHE A 18 -4.466 7.330 -6.579 1.00 0.30 N ATOM 219 CA PHE A 18 -3.350 7.688 -5.710 1.00 0.27 C ATOM 220 C PHE A 18 -2.665 8.944 -6.233 1.00 0.33 C ATOM 221 O PHE A 18 -2.602 9.167 -7.441 1.00 0.44 O ATOM 222 CB PHE A 18 -2.320 6.553 -5.651 1.00 0.29 C ATOM 223 CG PHE A 18 -2.737 5.352 -4.848 1.00 0.25 C ATOM 224 CD1 PHE A 18 -3.180 5.500 -3.544 1.00 0.24 C ATOM 225 CD2 PHE A 18 -2.721 4.081 -5.406 1.00 0.27 C ATOM 226 CE1 PHE A 18 -3.592 4.407 -2.808 1.00 0.25 C ATOM 227 CE2 PHE A 18 -3.136 2.984 -4.675 1.00 0.26 C ATOM 228 CZ PHE A 18 -3.448 3.118 -3.354 1.00 0.28 C ATOM 229 H PHE A 18 -4.367 6.574 -7.191 1.00 0.45 H ATOM 230 HA PHE A 18 -3.736 7.878 -4.722 1.00 0.26 H ATOM 231 HB2 PHE A 18 -2.117 6.215 -6.657 1.00 0.34 H ATOM 232 HB3 PHE A 18 -1.403 6.934 -5.222 1.00 0.34 H ATOM 233 HD1 PHE A 18 -3.196 6.484 -3.099 1.00 0.27 H ATOM 234 HD2 PHE A 18 -2.378 3.952 -6.421 1.00 0.31 H ATOM 235 HE1 PHE A 18 -3.932 4.539 -1.790 1.00 0.28 H ATOM 236 HE2 PHE A 18 -3.121 2.000 -5.120 1.00 0.30 H ATOM 237 HZ PHE A 18 -3.722 2.249 -2.773 1.00 0.31 H ATOM 238 N ASN A 19 -2.165 9.764 -5.314 1.00 0.35 N ATOM 239 CA ASN A 19 -1.389 10.953 -5.674 1.00 0.49 C ATOM 240 C ASN A 19 -0.157 10.585 -6.487 1.00 0.36 C ATOM 241 O ASN A 19 0.313 11.373 -7.307 1.00 0.45 O ATOM 242 CB ASN A 19 -0.944 11.712 -4.424 1.00 0.71 C ATOM 243 CG ASN A 19 -2.032 12.588 -3.841 1.00 1.33 C ATOM 244 OD1 ASN A 19 -3.221 12.319 -4.002 1.00 2.31 O ATOM 245 ND2 ASN A 19 -1.630 13.638 -3.141 1.00 1.42 N ATOM 246 H ASN A 19 -2.346 9.583 -4.364 1.00 0.34 H ATOM 247 HA ASN A 19 -2.020 11.595 -6.269 1.00 0.65 H ATOM 248 HB2 ASN A 19 -0.642 11.001 -3.668 1.00 1.29 H ATOM 249 HB3 ASN A 19 -0.101 12.339 -4.679 1.00 1.43 H ATOM 250 HD21 ASN A 19 -0.665 13.788 -3.043 1.00 1.07 H ATOM 251 HD22 ASN A 19 -2.313 14.223 -2.744 1.00 2.20 H ATOM 252 N THR A 20 0.364 9.392 -6.252 1.00 0.36 N ATOM 253 CA THR A 20 1.555 8.934 -6.934 1.00 0.33 C ATOM 254 C THR A 20 1.469 7.437 -7.206 1.00 0.24 C ATOM 255 O THR A 20 0.795 6.705 -6.480 1.00 0.32 O ATOM 256 CB THR A 20 2.826 9.239 -6.111 1.00 0.53 C ATOM 257 OG1 THR A 20 3.987 8.779 -6.813 1.00 1.12 O ATOM 258 CG2 THR A 20 2.768 8.581 -4.739 1.00 0.44 C ATOM 259 H THR A 20 -0.072 8.797 -5.609 1.00 0.46 H ATOM 260 HA THR A 20 1.625 9.458 -7.876 1.00 0.42 H ATOM 261 HB THR A 20 2.899 10.309 -5.977 1.00 0.94 H ATOM 262 HG1 THR A 20 4.686 8.572 -6.180 1.00 1.27 H ATOM 263 HG21 THR A 20 1.914 8.959 -4.194 1.00 1.10 H ATOM 264 HG22 THR A 20 3.671 8.808 -4.192 1.00 1.10 H ATOM 265 HG23 THR A 20 2.675 7.513 -4.856 1.00 1.26 H ATOM 266 N LYS A 21 2.137 6.993 -8.260 1.00 0.23 N ATOM 267 CA LYS A 21 2.169 5.581 -8.604 1.00 0.31 C ATOM 268 C LYS A 21 3.595 5.056 -8.518 1.00 0.23 C ATOM 269 O LYS A 21 3.900 3.956 -8.975 1.00 0.28 O ATOM 270 CB LYS A 21 1.588 5.353 -10.000 1.00 0.50 C ATOM 271 CG LYS A 21 0.106 5.697 -10.095 1.00 0.91 C ATOM 272 CD LYS A 21 -0.447 5.457 -11.492 1.00 0.85 C ATOM 273 CE LYS A 21 -0.321 4.000 -11.911 1.00 1.30 C ATOM 274 NZ LYS A 21 -0.982 3.739 -13.216 1.00 2.18 N1+ ATOM 275 H LYS A 21 2.633 7.633 -8.816 1.00 0.29 H ATOM 276 HA LYS A 21 1.563 5.054 -7.883 1.00 0.42 H ATOM 277 HB2 LYS A 21 2.128 5.968 -10.708 1.00 0.91 H ATOM 278 HB3 LYS A 21 1.714 4.314 -10.266 1.00 1.08 H ATOM 279 HG2 LYS A 21 -0.440 5.081 -9.396 1.00 1.70 H ATOM 280 HG3 LYS A 21 -0.028 6.739 -9.838 1.00 1.59 H ATOM 281 HD2 LYS A 21 -1.490 5.735 -11.505 1.00 1.30 H ATOM 282 HD3 LYS A 21 0.098 6.072 -12.193 1.00 1.60 H ATOM 283 HE2 LYS A 21 0.726 3.752 -11.996 1.00 1.82 H ATOM 284 HE3 LYS A 21 -0.777 3.379 -11.155 1.00 1.73 H ATOM 285 HZ1 LYS A 21 -1.997 3.957 -13.154 1.00 2.52 H ATOM 286 HZ2 LYS A 21 -0.873 2.739 -13.477 1.00 2.85 H ATOM 287 HZ3 LYS A 21 -0.557 4.328 -13.958 1.00 2.48 H ATOM 288 N ASP A 22 4.465 5.861 -7.930 1.00 0.20 N ATOM 289 CA ASP A 22 5.854 5.477 -7.704 1.00 0.22 C ATOM 290 C ASP A 22 6.343 6.035 -6.376 1.00 0.20 C ATOM 291 O ASP A 22 6.177 7.222 -6.093 1.00 0.24 O ATOM 292 CB ASP A 22 6.745 5.973 -8.849 1.00 0.34 C ATOM 293 CG ASP A 22 8.222 5.976 -8.496 1.00 1.26 C ATOM 294 OD1 ASP A 22 8.851 4.895 -8.486 1.00 1.86 O1- ATOM 295 OD2 ASP A 22 8.769 7.074 -8.251 1.00 2.06 O ATOM 296 H ASP A 22 4.165 6.749 -7.633 1.00 0.23 H ATOM 297 HA ASP A 22 5.896 4.398 -7.665 1.00 0.26 H ATOM 298 HB2 ASP A 22 6.606 5.333 -9.708 1.00 1.18 H ATOM 299 HB3 ASP A 22 6.456 6.979 -9.109 1.00 1.05 H ATOM 300 N ILE A 23 6.921 5.172 -5.558 1.00 0.19 N ATOM 301 CA ILE A 23 7.474 5.580 -4.276 1.00 0.21 C ATOM 302 C ILE A 23 8.934 5.171 -4.191 1.00 0.27 C ATOM 303 O ILE A 23 9.271 4.010 -4.408 1.00 0.32 O ATOM 304 CB ILE A 23 6.696 4.958 -3.093 1.00 0.21 C ATOM 305 CG1 ILE A 23 5.257 5.485 -3.063 1.00 0.22 C ATOM 306 CG2 ILE A 23 7.399 5.254 -1.771 1.00 0.26 C ATOM 307 CD1 ILE A 23 4.375 4.790 -2.046 1.00 0.23 C ATOM 308 H ILE A 23 6.989 4.227 -5.829 1.00 0.21 H ATOM 309 HA ILE A 23 7.405 6.657 -4.207 1.00 0.23 H ATOM 310 HB ILE A 23 6.679 3.887 -3.229 1.00 0.24 H ATOM 311 HG12 ILE A 23 5.272 6.539 -2.818 1.00 0.25 H ATOM 312 HG13 ILE A 23 4.810 5.354 -4.039 1.00 0.26 H ATOM 313 HG21 ILE A 23 7.417 6.320 -1.602 1.00 0.96 H ATOM 314 HG22 ILE A 23 8.411 4.880 -1.812 1.00 1.01 H ATOM 315 HG23 ILE A 23 6.871 4.768 -0.963 1.00 0.90 H ATOM 316 HD11 ILE A 23 3.364 5.151 -2.141 1.00 1.03 H ATOM 317 HD12 ILE A 23 4.740 5.003 -1.052 1.00 1.11 H ATOM 318 HD13 ILE A 23 4.396 3.724 -2.218 1.00 0.97 H ATOM 319 N GLN A 24 9.793 6.124 -3.883 1.00 0.34 N ATOM 320 CA GLN A 24 11.216 5.852 -3.783 1.00 0.41 C ATOM 321 C GLN A 24 11.611 5.581 -2.342 1.00 0.35 C ATOM 322 O GLN A 24 11.636 6.487 -1.509 1.00 0.39 O ATOM 323 CB GLN A 24 12.041 7.013 -4.331 1.00 0.57 C ATOM 324 CG GLN A 24 11.943 7.187 -5.837 1.00 0.67 C ATOM 325 CD GLN A 24 12.864 8.275 -6.352 1.00 0.86 C ATOM 326 OE1 GLN A 24 13.339 8.217 -7.487 1.00 1.32 O ATOM 327 NE2 GLN A 24 13.131 9.272 -5.523 1.00 1.46 N ATOM 328 H GLN A 24 9.462 7.028 -3.702 1.00 0.35 H ATOM 329 HA GLN A 24 11.423 4.970 -4.370 1.00 0.44 H ATOM 330 HB2 GLN A 24 11.705 7.927 -3.861 1.00 0.59 H ATOM 331 HB3 GLN A 24 13.077 6.849 -4.076 1.00 0.63 H ATOM 332 HG2 GLN A 24 12.214 6.254 -6.311 1.00 0.70 H ATOM 333 HG3 GLN A 24 10.926 7.440 -6.097 1.00 0.63 H ATOM 334 HE21 GLN A 24 12.726 9.256 -4.630 1.00 2.04 H ATOM 335 HE22 GLN A 24 13.728 9.985 -5.833 1.00 1.58 H ATOM 336 N VAL A 25 11.918 4.332 -2.057 1.00 0.31 N ATOM 337 CA VAL A 25 12.366 3.942 -0.737 1.00 0.25 C ATOM 338 C VAL A 25 13.883 3.911 -0.700 1.00 0.26 C ATOM 339 O VAL A 25 14.518 3.166 -1.450 1.00 0.30 O ATOM 340 CB VAL A 25 11.811 2.563 -0.328 1.00 0.23 C ATOM 341 CG1 VAL A 25 12.406 2.117 1.000 1.00 0.22 C ATOM 342 CG2 VAL A 25 10.295 2.608 -0.240 1.00 0.23 C ATOM 343 H VAL A 25 11.861 3.651 -2.767 1.00 0.34 H ATOM 344 HA VAL A 25 12.013 4.679 -0.031 1.00 0.25 H ATOM 345 HB VAL A 25 12.088 1.844 -1.085 1.00 0.28 H ATOM 346 HG11 VAL A 25 13.480 2.065 0.913 1.00 0.89 H ATOM 347 HG12 VAL A 25 12.016 1.144 1.261 1.00 0.90 H ATOM 348 HG13 VAL A 25 12.142 2.828 1.767 1.00 0.85 H ATOM 349 HG21 VAL A 25 9.889 2.906 -1.195 1.00 1.01 H ATOM 350 HG22 VAL A 25 9.999 3.321 0.516 1.00 1.10 H ATOM 351 HG23 VAL A 25 9.920 1.630 0.020 1.00 0.92 H ATOM 352 N SER A 26 14.456 4.737 0.152 1.00 0.27 N ATOM 353 CA SER A 26 15.895 4.812 0.272 1.00 0.29 C ATOM 354 C SER A 26 16.417 3.626 1.069 1.00 0.26 C ATOM 355 O SER A 26 16.046 3.423 2.226 1.00 0.25 O ATOM 356 CB SER A 26 16.312 6.125 0.937 1.00 0.36 C ATOM 357 OG SER A 26 17.715 6.311 0.864 1.00 1.16 O ATOM 358 H SER A 26 13.896 5.309 0.715 1.00 0.28 H ATOM 359 HA SER A 26 16.313 4.770 -0.724 1.00 0.34 H ATOM 360 HB2 SER A 26 15.825 6.952 0.441 1.00 0.74 H ATOM 361 HB3 SER A 26 16.017 6.108 1.976 1.00 0.99 H ATOM 362 HG SER A 26 17.897 7.135 0.389 1.00 1.73 H ATOM 363 N LYS A 27 17.274 2.846 0.434 1.00 0.32 N ATOM 364 CA LYS A 27 17.892 1.695 1.072 1.00 0.36 C ATOM 365 C LYS A 27 18.930 2.150 2.094 1.00 0.42 C ATOM 366 O LYS A 27 19.435 1.357 2.884 1.00 0.54 O ATOM 367 CB LYS A 27 18.540 0.796 0.018 1.00 0.45 C ATOM 368 CG LYS A 27 19.697 1.453 -0.719 1.00 0.82 C ATOM 369 CD LYS A 27 20.190 0.595 -1.871 1.00 0.86 C ATOM 370 CE LYS A 27 20.650 -0.774 -1.395 1.00 0.98 C ATOM 371 NZ LYS A 27 21.196 -1.592 -2.506 1.00 0.97 N1+ ATOM 372 H LYS A 27 17.493 3.049 -0.505 1.00 0.37 H ATOM 373 HA LYS A 27 17.119 1.142 1.583 1.00 0.37 H ATOM 374 HB2 LYS A 27 18.910 -0.096 0.500 1.00 0.72 H ATOM 375 HB3 LYS A 27 17.792 0.518 -0.710 1.00 0.76 H ATOM 376 HG2 LYS A 27 19.367 2.404 -1.110 1.00 1.17 H ATOM 377 HG3 LYS A 27 20.509 1.610 -0.025 1.00 1.17 H ATOM 378 HD2 LYS A 27 19.387 0.467 -2.579 1.00 1.37 H ATOM 379 HD3 LYS A 27 21.018 1.098 -2.350 1.00 1.30 H ATOM 380 HE2 LYS A 27 21.416 -0.642 -0.646 1.00 1.43 H ATOM 381 HE3 LYS A 27 19.807 -1.289 -0.960 1.00 1.49 H ATOM 382 HZ1 LYS A 27 21.477 -2.528 -2.158 1.00 1.16 H ATOM 383 HZ2 LYS A 27 22.028 -1.127 -2.920 1.00 1.56 H ATOM 384 HZ3 LYS A 27 20.477 -1.713 -3.248 1.00 1.38 H ATOM 385 N ALA A 28 19.239 3.441 2.065 1.00 0.44 N ATOM 386 CA ALA A 28 20.169 4.030 3.015 1.00 0.53 C ATOM 387 C ALA A 28 19.451 4.386 4.311 1.00 0.49 C ATOM 388 O ALA A 28 20.078 4.720 5.316 1.00 0.63 O ATOM 389 CB ALA A 28 20.824 5.260 2.410 1.00 0.65 C ATOM 390 H ALA A 28 18.827 4.013 1.384 1.00 0.47 H ATOM 391 HA ALA A 28 20.939 3.303 3.227 1.00 0.59 H ATOM 392 HB1 ALA A 28 21.518 5.684 3.120 1.00 1.17 H ATOM 393 HB2 ALA A 28 20.066 5.989 2.169 1.00 1.16 H ATOM 394 HB3 ALA A 28 21.355 4.980 1.511 1.00 1.15 H ATOM 395 N CYS A 29 18.130 4.306 4.280 1.00 0.37 N ATOM 396 CA CYS A 29 17.319 4.580 5.455 1.00 0.40 C ATOM 397 C CYS A 29 17.143 3.306 6.271 1.00 0.40 C ATOM 398 O CYS A 29 17.121 2.204 5.724 1.00 0.40 O ATOM 399 CB CYS A 29 15.954 5.136 5.038 1.00 0.41 C ATOM 400 SG CYS A 29 16.028 6.768 4.231 1.00 0.49 S ATOM 401 H CYS A 29 17.687 4.039 3.447 1.00 0.35 H ATOM 402 HA CYS A 29 17.836 5.316 6.054 1.00 0.48 H ATOM 403 HB2 CYS A 29 15.495 4.450 4.342 1.00 0.39 H ATOM 404 HB3 CYS A 29 15.327 5.228 5.912 1.00 0.46 H ATOM 405 N LYS A 30 17.036 3.462 7.582 1.00 0.49 N ATOM 406 CA LYS A 30 16.899 2.324 8.479 1.00 0.59 C ATOM 407 C LYS A 30 15.451 1.858 8.529 1.00 0.51 C ATOM 408 O LYS A 30 15.171 0.688 8.784 1.00 0.52 O ATOM 409 CB LYS A 30 17.389 2.694 9.882 1.00 0.81 C ATOM 410 CG LYS A 30 18.808 3.249 9.903 1.00 1.42 C ATOM 411 CD LYS A 30 19.809 2.263 9.315 1.00 2.13 C ATOM 412 CE LYS A 30 19.989 1.039 10.199 1.00 2.73 C ATOM 413 NZ LYS A 30 20.628 1.381 11.498 1.00 3.49 N1+ ATOM 414 H LYS A 30 17.048 4.371 7.959 1.00 0.53 H ATOM 415 HA LYS A 30 17.507 1.521 8.092 1.00 0.64 H ATOM 416 HB2 LYS A 30 16.726 3.441 10.296 1.00 1.26 H ATOM 417 HB3 LYS A 30 17.359 1.814 10.505 1.00 1.26 H ATOM 418 HG2 LYS A 30 18.836 4.161 9.326 1.00 1.93 H ATOM 419 HG3 LYS A 30 19.085 3.461 10.924 1.00 1.99 H ATOM 420 HD2 LYS A 30 19.456 1.945 8.346 1.00 2.54 H ATOM 421 HD3 LYS A 30 20.761 2.759 9.204 1.00 2.61 H ATOM 422 HE2 LYS A 30 19.021 0.602 10.389 1.00 2.82 H ATOM 423 HE3 LYS A 30 20.610 0.323 9.679 1.00 3.19 H ATOM 424 HZ1 LYS A 30 21.557 1.821 11.334 1.00 3.98 H ATOM 425 HZ2 LYS A 30 20.764 0.521 12.070 1.00 3.76 H ATOM 426 HZ3 LYS A 30 20.031 2.044 12.031 1.00 3.79 H ATOM 427 N GLU A 31 14.535 2.783 8.288 1.00 0.51 N ATOM 428 CA GLU A 31 13.120 2.466 8.206 1.00 0.52 C ATOM 429 C GLU A 31 12.414 3.516 7.359 1.00 0.42 C ATOM 430 O GLU A 31 12.851 4.667 7.300 1.00 0.44 O ATOM 431 CB GLU A 31 12.494 2.389 9.604 1.00 0.69 C ATOM 432 CG GLU A 31 12.531 3.697 10.376 1.00 1.15 C ATOM 433 CD GLU A 31 11.884 3.581 11.739 1.00 1.39 C ATOM 434 OE1 GLU A 31 12.502 2.986 12.649 1.00 1.71 O ATOM 435 OE2 GLU A 31 10.756 4.090 11.914 1.00 2.00 O1- ATOM 436 H GLU A 31 14.819 3.713 8.163 1.00 0.57 H ATOM 437 HA GLU A 31 13.022 1.508 7.721 1.00 0.54 H ATOM 438 HB2 GLU A 31 11.464 2.086 9.506 1.00 1.30 H ATOM 439 HB3 GLU A 31 13.024 1.643 10.180 1.00 1.13 H ATOM 440 HG2 GLU A 31 13.559 3.996 10.507 1.00 1.90 H ATOM 441 HG3 GLU A 31 12.006 4.450 9.807 1.00 1.66 H ATOM 442 N PHE A 32 11.353 3.118 6.679 1.00 0.36 N ATOM 443 CA PHE A 32 10.609 4.043 5.841 1.00 0.30 C ATOM 444 C PHE A 32 9.132 3.994 6.201 1.00 0.25 C ATOM 445 O PHE A 32 8.522 2.927 6.200 1.00 0.29 O ATOM 446 CB PHE A 32 10.814 3.696 4.367 1.00 0.32 C ATOM 447 CG PHE A 32 10.459 4.806 3.418 1.00 0.30 C ATOM 448 CD1 PHE A 32 11.399 5.755 3.047 1.00 0.30 C ATOM 449 CD2 PHE A 32 9.177 4.905 2.903 1.00 0.32 C ATOM 450 CE1 PHE A 32 11.066 6.778 2.181 1.00 0.32 C ATOM 451 CE2 PHE A 32 8.838 5.927 2.039 1.00 0.34 C ATOM 452 CZ PHE A 32 9.822 6.853 1.651 1.00 0.34 C ATOM 453 H PHE A 32 11.063 2.179 6.737 1.00 0.39 H ATOM 454 HA PHE A 32 10.983 5.039 6.029 1.00 0.30 H ATOM 455 HB2 PHE A 32 11.851 3.446 4.209 1.00 0.36 H ATOM 456 HB3 PHE A 32 10.200 2.840 4.121 1.00 0.35 H ATOM 457 HD1 PHE A 32 12.401 5.689 3.440 1.00 0.32 H ATOM 458 HD2 PHE A 32 8.437 4.171 3.186 1.00 0.35 H ATOM 459 HE1 PHE A 32 11.806 7.510 1.898 1.00 0.35 H ATOM 460 HE2 PHE A 32 7.834 5.990 1.645 1.00 0.39 H ATOM 461 HZ PHE A 32 9.575 7.649 0.965 1.00 0.38 H ATOM 462 N THR A 33 8.569 5.145 6.517 1.00 0.21 N ATOM 463 CA THR A 33 7.184 5.224 6.939 1.00 0.19 C ATOM 464 C THR A 33 6.320 5.881 5.870 1.00 0.17 C ATOM 465 O THR A 33 6.657 6.936 5.339 1.00 0.26 O ATOM 466 CB THR A 33 7.065 6.001 8.267 1.00 0.24 C ATOM 467 OG1 THR A 33 7.857 5.354 9.274 1.00 0.32 O ATOM 468 CG2 THR A 33 5.618 6.085 8.733 1.00 0.26 C ATOM 469 H THR A 33 9.101 5.971 6.460 1.00 0.24 H ATOM 470 HA THR A 33 6.828 4.217 7.102 1.00 0.21 H ATOM 471 HB THR A 33 7.439 7.002 8.113 1.00 0.29 H ATOM 472 HG1 THR A 33 8.676 5.849 9.403 1.00 1.04 H ATOM 473 HG21 THR A 33 5.571 6.625 9.667 1.00 1.03 H ATOM 474 HG22 THR A 33 5.226 5.087 8.874 1.00 1.03 H ATOM 475 HG23 THR A 33 5.029 6.599 7.988 1.00 0.98 H ATOM 476 N ILE A 34 5.211 5.241 5.552 1.00 0.16 N ATOM 477 CA ILE A 34 4.284 5.758 4.564 1.00 0.17 C ATOM 478 C ILE A 34 2.950 6.082 5.220 1.00 0.17 C ATOM 479 O ILE A 34 2.347 5.227 5.871 1.00 0.21 O ATOM 480 CB ILE A 34 4.061 4.752 3.413 1.00 0.18 C ATOM 481 CG1 ILE A 34 5.387 4.471 2.696 1.00 0.19 C ATOM 482 CG2 ILE A 34 3.016 5.283 2.436 1.00 0.23 C ATOM 483 CD1 ILE A 34 5.290 3.417 1.613 1.00 0.22 C ATOM 484 H ILE A 34 5.001 4.397 6.010 1.00 0.20 H ATOM 485 HA ILE A 34 4.706 6.664 4.153 1.00 0.19 H ATOM 486 HB ILE A 34 3.686 3.834 3.838 1.00 0.20 H ATOM 487 HG12 ILE A 34 5.740 5.383 2.240 1.00 0.21 H ATOM 488 HG13 ILE A 34 6.114 4.135 3.421 1.00 0.19 H ATOM 489 HG21 ILE A 34 2.082 5.433 2.957 1.00 0.96 H ATOM 490 HG22 ILE A 34 2.872 4.571 1.639 1.00 0.96 H ATOM 491 HG23 ILE A 34 3.351 6.224 2.023 1.00 0.91 H ATOM 492 HD11 ILE A 34 4.572 3.728 0.869 1.00 1.03 H ATOM 493 HD12 ILE A 34 4.975 2.480 2.048 1.00 1.03 H ATOM 494 HD13 ILE A 34 6.257 3.290 1.148 1.00 0.97 H ATOM 495 N THR A 35 2.510 7.316 5.061 1.00 0.18 N ATOM 496 CA THR A 35 1.245 7.757 5.621 1.00 0.19 C ATOM 497 C THR A 35 0.205 7.929 4.519 1.00 0.17 C ATOM 498 O THR A 35 0.428 8.654 3.550 1.00 0.20 O ATOM 499 CB THR A 35 1.416 9.081 6.395 1.00 0.23 C ATOM 500 OG1 THR A 35 2.305 8.881 7.503 1.00 0.23 O ATOM 501 CG2 THR A 35 0.076 9.603 6.904 1.00 0.28 C ATOM 502 H THR A 35 3.052 7.955 4.545 1.00 0.20 H ATOM 503 HA THR A 35 0.906 6.998 6.311 1.00 0.19 H ATOM 504 HB THR A 35 1.843 9.817 5.730 1.00 0.26 H ATOM 505 HG1 THR A 35 1.898 8.258 8.124 1.00 0.74 H ATOM 506 HG21 THR A 35 -0.582 9.780 6.065 1.00 0.96 H ATOM 507 HG22 THR A 35 0.231 10.526 7.443 1.00 1.02 H ATOM 508 HG23 THR A 35 -0.368 8.872 7.562 1.00 1.00 H ATOM 509 N LEU A 36 -0.921 7.248 4.662 1.00 0.16 N ATOM 510 CA LEU A 36 -1.988 7.314 3.677 1.00 0.14 C ATOM 511 C LEU A 36 -3.113 8.212 4.177 1.00 0.17 C ATOM 512 O LEU A 36 -3.603 8.041 5.293 1.00 0.20 O ATOM 513 CB LEU A 36 -2.534 5.911 3.393 1.00 0.16 C ATOM 514 CG LEU A 36 -3.537 5.817 2.236 1.00 0.14 C ATOM 515 CD1 LEU A 36 -2.847 6.069 0.905 1.00 0.17 C ATOM 516 CD2 LEU A 36 -4.225 4.460 2.230 1.00 0.18 C ATOM 517 H LEU A 36 -1.042 6.683 5.461 1.00 0.17 H ATOM 518 HA LEU A 36 -1.580 7.730 2.769 1.00 0.15 H ATOM 519 HB2 LEU A 36 -1.699 5.262 3.173 1.00 0.20 H ATOM 520 HB3 LEU A 36 -3.018 5.551 4.288 1.00 0.21 H ATOM 521 HG LEU A 36 -4.294 6.577 2.365 1.00 0.13 H ATOM 522 HD11 LEU A 36 -2.453 7.074 0.886 1.00 0.98 H ATOM 523 HD12 LEU A 36 -3.559 5.948 0.103 1.00 0.97 H ATOM 524 HD13 LEU A 36 -2.040 5.365 0.778 1.00 1.05 H ATOM 525 HD21 LEU A 36 -4.913 4.411 1.399 1.00 0.99 H ATOM 526 HD22 LEU A 36 -4.769 4.325 3.153 1.00 1.04 H ATOM 527 HD23 LEU A 36 -3.486 3.679 2.131 1.00 0.97 H ATOM 528 N LYS A 37 -3.507 9.171 3.352 1.00 0.21 N ATOM 529 CA LYS A 37 -4.606 10.069 3.685 1.00 0.27 C ATOM 530 C LYS A 37 -5.758 9.864 2.711 1.00 0.20 C ATOM 531 O LYS A 37 -5.634 10.167 1.526 1.00 0.22 O ATOM 532 CB LYS A 37 -4.155 11.539 3.631 1.00 0.42 C ATOM 533 CG LYS A 37 -3.044 11.903 4.605 1.00 1.22 C ATOM 534 CD LYS A 37 -3.483 11.745 6.051 1.00 1.21 C ATOM 535 CE LYS A 37 -2.462 12.332 7.011 1.00 2.09 C ATOM 536 NZ LYS A 37 -2.408 13.817 6.930 1.00 2.62 N1+ ATOM 537 H LYS A 37 -3.048 9.274 2.487 1.00 0.23 H ATOM 538 HA LYS A 37 -4.944 9.831 4.683 1.00 0.34 H ATOM 539 HB2 LYS A 37 -3.805 11.753 2.635 1.00 1.11 H ATOM 540 HB3 LYS A 37 -5.007 12.172 3.842 1.00 0.73 H ATOM 541 HG2 LYS A 37 -2.197 11.258 4.427 1.00 1.93 H ATOM 542 HG3 LYS A 37 -2.757 12.931 4.437 1.00 1.96 H ATOM 543 HD2 LYS A 37 -4.425 12.254 6.190 1.00 1.40 H ATOM 544 HD3 LYS A 37 -3.602 10.694 6.266 1.00 1.51 H ATOM 545 HE2 LYS A 37 -2.725 12.045 8.018 1.00 2.18 H ATOM 546 HE3 LYS A 37 -1.488 11.932 6.767 1.00 2.79 H ATOM 547 HZ1 LYS A 37 -1.642 14.179 7.533 1.00 3.01 H ATOM 548 HZ2 LYS A 37 -3.308 14.225 7.255 1.00 3.07 H ATOM 549 HZ3 LYS A 37 -2.238 14.121 5.952 1.00 2.78 H ATOM 550 N HIS A 38 -6.874 9.346 3.199 1.00 0.18 N ATOM 551 CA HIS A 38 -8.036 9.146 2.343 1.00 0.16 C ATOM 552 C HIS A 38 -8.989 10.322 2.468 1.00 0.23 C ATOM 553 O HIS A 38 -9.843 10.360 3.358 1.00 0.29 O ATOM 554 CB HIS A 38 -8.764 7.836 2.674 1.00 0.21 C ATOM 555 CG HIS A 38 -9.959 7.543 1.798 1.00 0.20 C ATOM 556 ND1 HIS A 38 -10.387 8.362 0.766 1.00 0.18 N ATOM 557 CD2 HIS A 38 -10.837 6.516 1.836 1.00 0.29 C ATOM 558 CE1 HIS A 38 -11.475 7.849 0.221 1.00 0.19 C ATOM 559 NE2 HIS A 38 -11.767 6.728 0.851 1.00 0.24 N ATOM 560 H HIS A 38 -6.922 9.108 4.154 1.00 0.22 H ATOM 561 HA HIS A 38 -7.683 9.099 1.321 1.00 0.17 H ATOM 562 HB2 HIS A 38 -8.073 7.015 2.570 1.00 0.24 H ATOM 563 HB3 HIS A 38 -9.111 7.880 3.697 1.00 0.27 H ATOM 564 HD1 HIS A 38 -9.952 9.196 0.470 1.00 0.25 H ATOM 565 HD2 HIS A 38 -10.814 5.681 2.522 1.00 0.41 H ATOM 566 HE1 HIS A 38 -12.037 8.282 -0.595 1.00 0.24 H ATOM 567 HE2 HIS A 38 -12.444 6.074 0.560 1.00 0.26 H ATOM 568 N THR A 39 -8.839 11.270 1.565 1.00 0.30 N ATOM 569 CA THR A 39 -9.733 12.404 1.495 1.00 0.44 C ATOM 570 C THR A 39 -11.027 11.983 0.797 1.00 0.55 C ATOM 571 O THR A 39 -11.014 11.112 -0.081 1.00 1.42 O ATOM 572 CB THR A 39 -9.071 13.594 0.759 1.00 0.52 C ATOM 573 OG1 THR A 39 -9.920 14.746 0.796 1.00 1.60 O ATOM 574 CG2 THR A 39 -8.749 13.244 -0.688 1.00 1.46 C ATOM 575 H THR A 39 -8.103 11.201 0.918 1.00 0.31 H ATOM 576 HA THR A 39 -9.963 12.711 2.506 1.00 0.47 H ATOM 577 HB THR A 39 -8.145 13.831 1.264 1.00 0.92 H ATOM 578 HG1 THR A 39 -10.173 14.928 1.710 1.00 2.04 H ATOM 579 HG21 THR A 39 -8.018 12.450 -0.714 1.00 1.97 H ATOM 580 HG22 THR A 39 -8.353 14.114 -1.190 1.00 2.04 H ATOM 581 HG23 THR A 39 -9.649 12.920 -1.188 1.00 2.09 H ATOM 582 N GLY A 40 -12.140 12.559 1.218 1.00 0.61 N ATOM 583 CA GLY A 40 -13.424 12.195 0.658 1.00 0.56 C ATOM 584 C GLY A 40 -14.449 11.937 1.744 1.00 0.66 C ATOM 585 O GLY A 40 -14.102 11.879 2.924 1.00 1.16 O ATOM 586 H GLY A 40 -12.094 13.238 1.923 1.00 1.26 H ATOM 587 HA2 GLY A 40 -13.773 12.999 0.023 1.00 0.53 H ATOM 588 HA3 GLY A 40 -13.306 11.298 0.063 1.00 0.54 H ATOM 589 N THR A 41 -15.705 11.776 1.359 1.00 0.46 N ATOM 590 CA THR A 41 -16.777 11.572 2.322 1.00 0.53 C ATOM 591 C THR A 41 -17.474 10.228 2.121 1.00 0.46 C ATOM 592 O THR A 41 -18.602 10.026 2.571 1.00 0.75 O ATOM 593 CB THR A 41 -17.814 12.707 2.235 1.00 0.71 C ATOM 594 OG1 THR A 41 -18.133 12.972 0.862 1.00 1.41 O ATOM 595 CG2 THR A 41 -17.288 13.972 2.893 1.00 1.53 C ATOM 596 H THR A 41 -15.923 11.810 0.401 1.00 0.63 H ATOM 597 HA THR A 41 -16.342 11.591 3.311 1.00 0.61 H ATOM 598 HB THR A 41 -18.711 12.396 2.751 1.00 1.21 H ATOM 599 HG1 THR A 41 -18.130 13.928 0.711 1.00 2.01 H ATOM 600 HG21 THR A 41 -17.088 13.777 3.937 1.00 2.20 H ATOM 601 HG22 THR A 41 -18.024 14.756 2.808 1.00 1.98 H ATOM 602 HG23 THR A 41 -16.376 14.280 2.404 1.00 1.99 H ATOM 603 N GLN A 42 -16.796 9.305 1.455 1.00 0.41 N ATOM 604 CA GLN A 42 -17.356 7.981 1.219 1.00 0.35 C ATOM 605 C GLN A 42 -16.837 6.989 2.250 1.00 0.29 C ATOM 606 O GLN A 42 -15.628 6.868 2.453 1.00 0.31 O ATOM 607 CB GLN A 42 -17.034 7.500 -0.198 1.00 0.39 C ATOM 608 CG GLN A 42 -17.811 8.241 -1.277 1.00 0.59 C ATOM 609 CD GLN A 42 -17.467 7.776 -2.677 1.00 1.37 C ATOM 610 OE1 GLN A 42 -16.548 8.294 -3.305 1.00 1.89 O ATOM 611 NE2 GLN A 42 -18.219 6.814 -3.185 1.00 2.08 N ATOM 612 H GLN A 42 -15.900 9.513 1.126 1.00 0.63 H ATOM 613 HA GLN A 42 -18.428 8.060 1.325 1.00 0.42 H ATOM 614 HB2 GLN A 42 -15.979 7.639 -0.382 1.00 0.38 H ATOM 615 HB3 GLN A 42 -17.268 6.449 -0.270 1.00 0.38 H ATOM 616 HG2 GLN A 42 -18.867 8.079 -1.116 1.00 1.09 H ATOM 617 HG3 GLN A 42 -17.595 9.296 -1.200 1.00 1.13 H ATOM 618 HE21 GLN A 42 -18.953 6.459 -2.637 1.00 2.08 H ATOM 619 HE22 GLN A 42 -18.017 6.497 -4.090 1.00 2.81 H ATOM 620 N PRO A 43 -17.752 6.273 2.922 1.00 0.32 N ATOM 621 CA PRO A 43 -17.394 5.314 3.969 1.00 0.35 C ATOM 622 C PRO A 43 -16.721 4.061 3.405 1.00 0.31 C ATOM 623 O PRO A 43 -16.774 3.827 2.194 1.00 0.29 O ATOM 624 CB PRO A 43 -18.741 4.975 4.614 1.00 0.47 C ATOM 625 CG PRO A 43 -19.745 5.208 3.540 1.00 0.49 C ATOM 626 CD PRO A 43 -19.211 6.346 2.710 1.00 0.40 C ATOM 627 HA PRO A 43 -16.745 5.762 4.705 1.00 0.38 H ATOM 628 HB2 PRO A 43 -18.739 3.947 4.940 1.00 0.53 H ATOM 629 HB3 PRO A 43 -18.912 5.628 5.459 1.00 0.53 H ATOM 630 HG2 PRO A 43 -19.844 4.316 2.935 1.00 0.52 H ATOM 631 HG3 PRO A 43 -20.697 5.473 3.979 1.00 0.58 H ATOM 632 HD2 PRO A 43 -19.456 6.199 1.667 1.00 0.43 H ATOM 633 HD3 PRO A 43 -19.603 7.292 3.063 1.00 0.44 H ATOM 634 N LYS A 44 -16.092 3.267 4.266 1.00 0.33 N ATOM 635 CA LYS A 44 -15.264 2.142 3.817 1.00 0.34 C ATOM 636 C LYS A 44 -16.016 1.200 2.874 1.00 0.36 C ATOM 637 O LYS A 44 -15.471 0.780 1.851 1.00 0.44 O ATOM 638 CB LYS A 44 -14.694 1.359 5.012 1.00 0.43 C ATOM 639 CG LYS A 44 -15.742 0.760 5.940 1.00 0.49 C ATOM 640 CD LYS A 44 -15.118 -0.185 6.957 1.00 0.66 C ATOM 641 CE LYS A 44 -14.109 0.528 7.843 1.00 1.06 C ATOM 642 NZ LYS A 44 -13.469 -0.392 8.820 1.00 1.82 N1+ ATOM 643 H LYS A 44 -16.181 3.444 5.228 1.00 0.36 H ATOM 644 HA LYS A 44 -14.437 2.566 3.267 1.00 0.33 H ATOM 645 HB2 LYS A 44 -14.083 0.553 4.636 1.00 0.50 H ATOM 646 HB3 LYS A 44 -14.072 2.025 5.593 1.00 0.46 H ATOM 647 HG2 LYS A 44 -16.241 1.559 6.468 1.00 0.46 H ATOM 648 HG3 LYS A 44 -16.463 0.214 5.349 1.00 0.55 H ATOM 649 HD2 LYS A 44 -15.898 -0.595 7.579 1.00 1.25 H ATOM 650 HD3 LYS A 44 -14.618 -0.984 6.430 1.00 1.24 H ATOM 651 HE2 LYS A 44 -13.343 0.962 7.220 1.00 1.52 H ATOM 652 HE3 LYS A 44 -14.617 1.313 8.383 1.00 1.81 H ATOM 653 HZ1 LYS A 44 -12.942 -1.138 8.320 1.00 2.15 H ATOM 654 HZ2 LYS A 44 -14.189 -0.840 9.418 1.00 2.20 H ATOM 655 HZ3 LYS A 44 -12.806 0.134 9.427 1.00 2.49 H ATOM 656 N ALA A 45 -17.268 0.901 3.195 1.00 0.40 N ATOM 657 CA ALA A 45 -18.059 -0.036 2.404 1.00 0.46 C ATOM 658 C ALA A 45 -18.387 0.524 1.023 1.00 0.48 C ATOM 659 O ALA A 45 -18.696 -0.227 0.094 1.00 0.58 O ATOM 660 CB ALA A 45 -19.336 -0.403 3.142 1.00 0.59 C ATOM 661 H ALA A 45 -17.671 1.317 3.989 1.00 0.42 H ATOM 662 HA ALA A 45 -17.475 -0.938 2.283 1.00 0.51 H ATOM 663 HB1 ALA A 45 -19.089 -0.791 4.119 1.00 1.11 H ATOM 664 HB2 ALA A 45 -19.873 -1.152 2.581 1.00 1.18 H ATOM 665 HB3 ALA A 45 -19.954 0.477 3.250 1.00 1.27 H ATOM 666 N SER A 46 -18.317 1.840 0.886 1.00 0.49 N ATOM 667 CA SER A 46 -18.602 2.487 -0.383 1.00 0.63 C ATOM 668 C SER A 46 -17.315 2.696 -1.171 1.00 0.47 C ATOM 669 O SER A 46 -17.271 2.470 -2.381 1.00 0.61 O ATOM 670 CB SER A 46 -19.304 3.825 -0.148 1.00 0.83 C ATOM 671 OG SER A 46 -20.463 3.653 0.649 1.00 1.51 O ATOM 672 H SER A 46 -18.049 2.387 1.656 1.00 0.47 H ATOM 673 HA SER A 46 -19.256 1.839 -0.948 1.00 0.80 H ATOM 674 HB2 SER A 46 -18.630 4.499 0.359 1.00 1.42 H ATOM 675 HB3 SER A 46 -19.593 4.250 -1.097 1.00 1.21 H ATOM 676 HG SER A 46 -20.708 2.718 0.659 1.00 1.86 H ATOM 677 N MET A 47 -16.266 3.122 -0.478 1.00 0.27 N ATOM 678 CA MET A 47 -14.969 3.326 -1.104 1.00 0.21 C ATOM 679 C MET A 47 -13.877 3.449 -0.049 1.00 0.17 C ATOM 680 O MET A 47 -13.499 4.554 0.358 1.00 0.19 O ATOM 681 CB MET A 47 -14.982 4.568 -1.998 1.00 0.29 C ATOM 682 CG MET A 47 -13.657 4.814 -2.711 1.00 0.42 C ATOM 683 SD MET A 47 -13.695 6.262 -3.778 1.00 1.13 S ATOM 684 CE MET A 47 -14.969 5.785 -4.941 1.00 0.81 C ATOM 685 H MET A 47 -16.366 3.304 0.487 1.00 0.30 H ATOM 686 HA MET A 47 -14.762 2.458 -1.714 1.00 0.31 H ATOM 687 HB2 MET A 47 -15.752 4.447 -2.746 1.00 0.34 H ATOM 688 HB3 MET A 47 -15.214 5.434 -1.395 1.00 0.33 H ATOM 689 HG2 MET A 47 -12.883 4.956 -1.970 1.00 1.00 H ATOM 690 HG3 MET A 47 -13.423 3.948 -3.314 1.00 0.96 H ATOM 691 HE1 MET A 47 -15.907 5.668 -4.420 1.00 1.32 H ATOM 692 HE2 MET A 47 -14.698 4.849 -5.407 1.00 1.27 H ATOM 693 HE3 MET A 47 -15.070 6.547 -5.698 1.00 1.19 H ATOM 694 N GLY A 48 -13.399 2.307 0.411 1.00 0.14 N ATOM 695 CA GLY A 48 -12.286 2.286 1.330 1.00 0.12 C ATOM 696 C GLY A 48 -10.981 2.073 0.600 1.00 0.11 C ATOM 697 O GLY A 48 -10.965 1.534 -0.511 1.00 0.13 O ATOM 698 H GLY A 48 -13.806 1.464 0.120 1.00 0.15 H ATOM 699 HA2 GLY A 48 -12.246 3.229 1.857 1.00 0.14 H ATOM 700 HA3 GLY A 48 -12.426 1.485 2.041 1.00 0.14 H ATOM 701 N HIS A 49 -9.883 2.503 1.204 1.00 0.11 N ATOM 702 CA HIS A 49 -8.576 2.361 0.571 1.00 0.11 C ATOM 703 C HIS A 49 -7.545 1.865 1.574 1.00 0.12 C ATOM 704 O HIS A 49 -7.698 2.055 2.785 1.00 0.15 O ATOM 705 CB HIS A 49 -8.077 3.692 -0.017 1.00 0.12 C ATOM 706 CG HIS A 49 -8.928 4.291 -1.101 1.00 0.12 C ATOM 707 ND1 HIS A 49 -9.251 3.604 -2.248 1.00 0.13 N ATOM 708 CD2 HIS A 49 -9.453 5.536 -1.176 1.00 0.13 C ATOM 709 CE1 HIS A 49 -9.952 4.445 -2.988 1.00 0.14 C ATOM 710 NE2 HIS A 49 -10.101 5.632 -2.380 1.00 0.14 N ATOM 711 H HIS A 49 -9.947 2.913 2.092 1.00 0.12 H ATOM 712 HA HIS A 49 -8.670 1.635 -0.225 1.00 0.12 H ATOM 713 HB2 HIS A 49 -8.014 4.419 0.778 1.00 0.13 H ATOM 714 HB3 HIS A 49 -7.086 3.540 -0.428 1.00 0.13 H ATOM 715 HD2 HIS A 49 -9.370 6.314 -0.430 1.00 0.14 H ATOM 716 HE1 HIS A 49 -10.355 4.208 -3.961 1.00 0.16 H ATOM 717 HE2 HIS A 49 -10.350 6.472 -2.828 1.00 0.15 H ATOM 718 N ASN A 50 -6.509 1.222 1.060 1.00 0.12 N ATOM 719 CA ASN A 50 -5.331 0.887 1.847 1.00 0.19 C ATOM 720 C ASN A 50 -4.098 0.955 0.958 1.00 0.24 C ATOM 721 O ASN A 50 -4.210 1.090 -0.260 1.00 0.43 O ATOM 722 CB ASN A 50 -5.442 -0.506 2.505 1.00 0.29 C ATOM 723 CG ASN A 50 -5.605 -1.658 1.521 1.00 0.67 C ATOM 724 OD1 ASN A 50 -5.198 -1.586 0.365 1.00 1.48 O ATOM 725 ND2 ASN A 50 -6.179 -2.753 1.990 1.00 0.69 N ATOM 726 H ASN A 50 -6.533 0.958 0.111 1.00 0.13 H ATOM 727 HA ASN A 50 -5.234 1.636 2.622 1.00 0.22 H ATOM 728 HB2 ASN A 50 -4.548 -0.689 3.082 1.00 0.88 H ATOM 729 HB3 ASN A 50 -6.292 -0.508 3.172 1.00 0.81 H ATOM 730 HD21 ASN A 50 -6.463 -2.765 2.928 1.00 0.74 H ATOM 731 HD22 ASN A 50 -6.287 -3.519 1.377 1.00 1.15 H ATOM 732 N LEU A 51 -2.928 0.897 1.562 1.00 0.17 N ATOM 733 CA LEU A 51 -1.700 0.822 0.800 1.00 0.17 C ATOM 734 C LEU A 51 -0.924 -0.409 1.233 1.00 0.17 C ATOM 735 O LEU A 51 -0.426 -0.488 2.358 1.00 0.20 O ATOM 736 CB LEU A 51 -0.867 2.102 0.968 1.00 0.18 C ATOM 737 CG LEU A 51 0.354 2.222 0.045 1.00 0.20 C ATOM 738 CD1 LEU A 51 0.600 3.678 -0.324 1.00 0.20 C ATOM 739 CD2 LEU A 51 1.593 1.641 0.711 1.00 0.22 C ATOM 740 H LEU A 51 -2.889 0.904 2.545 1.00 0.22 H ATOM 741 HA LEU A 51 -1.970 0.711 -0.240 1.00 0.17 H ATOM 742 HB2 LEU A 51 -1.513 2.949 0.782 1.00 0.20 H ATOM 743 HB3 LEU A 51 -0.522 2.148 1.990 1.00 0.18 H ATOM 744 HG LEU A 51 0.169 1.670 -0.865 1.00 0.22 H ATOM 745 HD11 LEU A 51 -0.262 4.066 -0.848 1.00 0.98 H ATOM 746 HD12 LEU A 51 1.469 3.745 -0.962 1.00 1.05 H ATOM 747 HD13 LEU A 51 0.766 4.254 0.572 1.00 1.02 H ATOM 748 HD21 LEU A 51 1.407 0.612 0.979 1.00 0.99 H ATOM 749 HD22 LEU A 51 1.826 2.209 1.600 1.00 0.92 H ATOM 750 HD23 LEU A 51 2.427 1.689 0.026 1.00 0.92 H ATOM 751 N VAL A 52 -0.869 -1.383 0.346 1.00 0.17 N ATOM 752 CA VAL A 52 -0.203 -2.638 0.623 1.00 0.20 C ATOM 753 C VAL A 52 1.009 -2.810 -0.276 1.00 0.22 C ATOM 754 O VAL A 52 0.921 -2.626 -1.490 1.00 0.30 O ATOM 755 CB VAL A 52 -1.164 -3.828 0.414 1.00 0.25 C ATOM 756 CG1 VAL A 52 -0.470 -5.152 0.688 1.00 1.25 C ATOM 757 CG2 VAL A 52 -2.401 -3.675 1.289 1.00 1.46 C ATOM 758 H VAL A 52 -1.305 -1.257 -0.527 1.00 0.17 H ATOM 759 HA VAL A 52 0.118 -2.631 1.653 1.00 0.22 H ATOM 760 HB VAL A 52 -1.481 -3.825 -0.618 1.00 1.12 H ATOM 761 HG11 VAL A 52 -0.097 -5.160 1.701 1.00 1.79 H ATOM 762 HG12 VAL A 52 0.354 -5.275 0.000 1.00 1.83 H ATOM 763 HG13 VAL A 52 -1.172 -5.962 0.557 1.00 1.96 H ATOM 764 HG21 VAL A 52 -2.103 -3.605 2.324 1.00 2.06 H ATOM 765 HG22 VAL A 52 -3.043 -4.534 1.159 1.00 1.90 H ATOM 766 HG23 VAL A 52 -2.934 -2.780 1.006 1.00 2.13 H ATOM 767 N ILE A 53 2.137 -3.150 0.326 1.00 0.21 N ATOM 768 CA ILE A 53 3.356 -3.405 -0.422 1.00 0.23 C ATOM 769 C ILE A 53 3.722 -4.875 -0.324 1.00 0.19 C ATOM 770 O ILE A 53 3.955 -5.400 0.772 1.00 0.20 O ATOM 771 CB ILE A 53 4.530 -2.535 0.075 1.00 0.31 C ATOM 772 CG1 ILE A 53 4.195 -1.052 -0.114 1.00 0.45 C ATOM 773 CG2 ILE A 53 5.815 -2.895 -0.664 1.00 0.30 C ATOM 774 CD1 ILE A 53 5.304 -0.111 0.299 1.00 0.51 C ATOM 775 H ILE A 53 2.148 -3.247 1.305 1.00 0.23 H ATOM 776 HA ILE A 53 3.166 -3.164 -1.459 1.00 0.27 H ATOM 777 HB ILE A 53 4.676 -2.735 1.127 1.00 0.34 H ATOM 778 HG12 ILE A 53 3.984 -0.868 -1.157 1.00 1.04 H ATOM 779 HG13 ILE A 53 3.320 -0.810 0.472 1.00 0.88 H ATOM 780 HG21 ILE A 53 6.632 -2.309 -0.273 1.00 0.96 H ATOM 781 HG22 ILE A 53 5.694 -2.687 -1.716 1.00 1.05 H ATOM 782 HG23 ILE A 53 6.028 -3.946 -0.526 1.00 0.99 H ATOM 783 HD11 ILE A 53 6.192 -0.326 -0.276 1.00 1.10 H ATOM 784 HD12 ILE A 53 5.515 -0.243 1.350 1.00 1.31 H ATOM 785 HD13 ILE A 53 4.998 0.910 0.120 1.00 1.14 H ATOM 786 N ALA A 54 3.753 -5.537 -1.466 1.00 0.22 N ATOM 787 CA ALA A 54 4.004 -6.963 -1.512 1.00 0.27 C ATOM 788 C ALA A 54 4.855 -7.329 -2.717 1.00 0.31 C ATOM 789 O ALA A 54 5.032 -6.526 -3.638 1.00 0.30 O ATOM 790 CB ALA A 54 2.686 -7.722 -1.541 1.00 0.32 C ATOM 791 H ALA A 54 3.611 -5.048 -2.308 1.00 0.24 H ATOM 792 HA ALA A 54 4.536 -7.238 -0.613 1.00 0.30 H ATOM 793 HB1 ALA A 54 2.089 -7.440 -0.686 1.00 1.06 H ATOM 794 HB2 ALA A 54 2.880 -8.785 -1.511 1.00 0.96 H ATOM 795 HB3 ALA A 54 2.151 -7.480 -2.448 1.00 1.09 H ATOM 796 N LYS A 55 5.394 -8.540 -2.688 1.00 0.43 N ATOM 797 CA LYS A 55 6.221 -9.053 -3.768 1.00 0.52 C ATOM 798 C LYS A 55 5.399 -9.150 -5.050 1.00 0.53 C ATOM 799 O LYS A 55 4.320 -9.734 -5.057 1.00 0.64 O ATOM 800 CB LYS A 55 6.764 -10.430 -3.370 1.00 0.69 C ATOM 801 CG LYS A 55 7.722 -11.045 -4.374 1.00 1.04 C ATOM 802 CD LYS A 55 8.178 -12.420 -3.912 1.00 1.03 C ATOM 803 CE LYS A 55 9.044 -13.108 -4.954 1.00 1.01 C ATOM 804 NZ LYS A 55 9.346 -14.519 -4.589 1.00 1.46 N1+ ATOM 805 H LYS A 55 5.222 -9.115 -1.909 1.00 0.50 H ATOM 806 HA LYS A 55 7.045 -8.371 -3.921 1.00 0.50 H ATOM 807 HB2 LYS A 55 7.280 -10.337 -2.426 1.00 1.23 H ATOM 808 HB3 LYS A 55 5.929 -11.106 -3.245 1.00 1.22 H ATOM 809 HG2 LYS A 55 7.222 -11.141 -5.326 1.00 1.72 H ATOM 810 HG3 LYS A 55 8.585 -10.402 -4.479 1.00 1.63 H ATOM 811 HD2 LYS A 55 8.751 -12.310 -3.000 1.00 1.28 H ATOM 812 HD3 LYS A 55 7.305 -13.031 -3.722 1.00 1.25 H ATOM 813 HE2 LYS A 55 8.526 -13.094 -5.901 1.00 1.23 H ATOM 814 HE3 LYS A 55 9.972 -12.563 -5.047 1.00 1.32 H ATOM 815 HZ1 LYS A 55 9.835 -14.557 -3.673 1.00 1.94 H ATOM 816 HZ2 LYS A 55 9.956 -14.954 -5.309 1.00 1.67 H ATOM 817 HZ3 LYS A 55 8.465 -15.068 -4.520 1.00 2.05 H ATOM 818 N ALA A 56 5.926 -8.578 -6.131 1.00 0.49 N ATOM 819 CA ALA A 56 5.196 -8.462 -7.393 1.00 0.52 C ATOM 820 C ALA A 56 4.790 -9.819 -7.958 1.00 0.61 C ATOM 821 O ALA A 56 3.802 -9.922 -8.683 1.00 0.77 O ATOM 822 CB ALA A 56 6.032 -7.708 -8.412 1.00 0.53 C ATOM 823 H ALA A 56 6.841 -8.219 -6.080 1.00 0.48 H ATOM 824 HA ALA A 56 4.304 -7.884 -7.207 1.00 0.58 H ATOM 825 HB1 ALA A 56 6.318 -6.750 -8.002 1.00 0.99 H ATOM 826 HB2 ALA A 56 5.455 -7.557 -9.312 1.00 1.25 H ATOM 827 HB3 ALA A 56 6.919 -8.279 -8.642 1.00 1.19 H ATOM 828 N GLU A 57 5.547 -10.851 -7.620 1.00 0.65 N ATOM 829 CA GLU A 57 5.272 -12.199 -8.111 1.00 0.79 C ATOM 830 C GLU A 57 4.167 -12.866 -7.299 1.00 0.71 C ATOM 831 O GLU A 57 3.646 -13.914 -7.686 1.00 0.77 O ATOM 832 CB GLU A 57 6.536 -13.053 -8.052 1.00 1.01 C ATOM 833 CG GLU A 57 7.663 -12.542 -8.931 1.00 1.69 C ATOM 834 CD GLU A 57 8.915 -13.377 -8.809 1.00 2.26 C ATOM 835 OE1 GLU A 57 8.954 -14.484 -9.385 1.00 2.58 O1- ATOM 836 OE2 GLU A 57 9.867 -12.937 -8.135 1.00 2.89 O ATOM 837 H GLU A 57 6.311 -10.705 -7.029 1.00 0.68 H ATOM 838 HA GLU A 57 4.948 -12.118 -9.137 1.00 0.91 H ATOM 839 HB2 GLU A 57 6.888 -13.082 -7.032 1.00 1.33 H ATOM 840 HB3 GLU A 57 6.291 -14.057 -8.366 1.00 1.62 H ATOM 841 HG2 GLU A 57 7.338 -12.559 -9.960 1.00 2.35 H ATOM 842 HG3 GLU A 57 7.897 -11.527 -8.646 1.00 2.06 H ATOM 843 N ASP A 58 3.823 -12.262 -6.174 1.00 0.66 N ATOM 844 CA ASP A 58 2.787 -12.796 -5.299 1.00 0.71 C ATOM 845 C ASP A 58 1.692 -11.764 -5.083 1.00 0.65 C ATOM 846 O ASP A 58 0.798 -11.954 -4.256 1.00 0.65 O ATOM 847 CB ASP A 58 3.380 -13.201 -3.946 1.00 0.88 C ATOM 848 CG ASP A 58 4.300 -14.402 -4.034 1.00 1.36 C ATOM 849 OD1 ASP A 58 3.801 -15.545 -3.972 1.00 1.46 O ATOM 850 OD2 ASP A 58 5.525 -14.209 -4.176 1.00 2.15 O1- ATOM 851 H ASP A 58 4.273 -11.426 -5.922 1.00 0.66 H ATOM 852 HA ASP A 58 2.363 -13.667 -5.776 1.00 0.78 H ATOM 853 HB2 ASP A 58 3.943 -12.372 -3.547 1.00 1.12 H ATOM 854 HB3 ASP A 58 2.575 -13.438 -3.270 1.00 1.27 H ATOM 855 N MET A 59 1.762 -10.677 -5.844 1.00 0.64 N ATOM 856 CA MET A 59 0.860 -9.546 -5.660 1.00 0.64 C ATOM 857 C MET A 59 -0.559 -9.930 -6.046 1.00 0.60 C ATOM 858 O MET A 59 -1.525 -9.523 -5.400 1.00 0.57 O ATOM 859 CB MET A 59 1.326 -8.349 -6.495 1.00 0.78 C ATOM 860 CG MET A 59 0.735 -7.027 -6.040 1.00 0.58 C ATOM 861 SD MET A 59 1.297 -6.562 -4.392 1.00 0.65 S ATOM 862 CE MET A 59 0.417 -5.025 -4.140 1.00 0.35 C ATOM 863 H MET A 59 2.436 -10.638 -6.554 1.00 0.68 H ATOM 864 HA MET A 59 0.877 -9.274 -4.616 1.00 0.66 H ATOM 865 HB2 MET A 59 2.404 -8.276 -6.434 1.00 1.07 H ATOM 866 HB3 MET A 59 1.041 -8.510 -7.526 1.00 1.07 H ATOM 867 HG2 MET A 59 1.027 -6.255 -6.738 1.00 1.05 H ATOM 868 HG3 MET A 59 -0.341 -7.113 -6.028 1.00 1.16 H ATOM 869 HE1 MET A 59 0.706 -4.315 -4.901 1.00 0.98 H ATOM 870 HE2 MET A 59 0.658 -4.627 -3.165 1.00 0.94 H ATOM 871 HE3 MET A 59 -0.646 -5.205 -4.201 1.00 0.93 H ATOM 872 N ASP A 60 -0.671 -10.736 -7.094 1.00 0.65 N ATOM 873 CA ASP A 60 -1.963 -11.205 -7.578 1.00 0.72 C ATOM 874 C ASP A 60 -2.680 -11.997 -6.492 1.00 0.67 C ATOM 875 O ASP A 60 -3.891 -11.864 -6.304 1.00 0.70 O ATOM 876 CB ASP A 60 -1.771 -12.071 -8.823 1.00 0.87 C ATOM 877 CG ASP A 60 -3.079 -12.549 -9.420 1.00 1.41 C ATOM 878 OD1 ASP A 60 -3.651 -11.833 -10.270 1.00 1.42 O1- ATOM 879 OD2 ASP A 60 -3.550 -13.635 -9.028 1.00 2.27 O ATOM 880 H ASP A 60 0.145 -11.026 -7.559 1.00 0.68 H ATOM 881 HA ASP A 60 -2.557 -10.343 -7.834 1.00 0.75 H ATOM 882 HB2 ASP A 60 -1.247 -11.499 -9.574 1.00 1.22 H ATOM 883 HB3 ASP A 60 -1.180 -12.936 -8.563 1.00 1.25 H ATOM 884 N GLY A 61 -1.912 -12.797 -5.757 1.00 0.65 N ATOM 885 CA GLY A 61 -2.471 -13.597 -4.686 1.00 0.66 C ATOM 886 C GLY A 61 -2.955 -12.750 -3.529 1.00 0.59 C ATOM 887 O GLY A 61 -3.842 -13.152 -2.782 1.00 0.63 O ATOM 888 H GLY A 61 -0.949 -12.838 -5.942 1.00 0.66 H ATOM 889 HA2 GLY A 61 -3.301 -14.168 -5.071 1.00 0.71 H ATOM 890 HA3 GLY A 61 -1.715 -14.280 -4.326 1.00 0.68 H ATOM 891 N VAL A 62 -2.372 -11.569 -3.387 1.00 0.52 N ATOM 892 CA VAL A 62 -2.759 -10.656 -2.326 1.00 0.48 C ATOM 893 C VAL A 62 -4.133 -10.052 -2.612 1.00 0.45 C ATOM 894 O VAL A 62 -4.931 -9.842 -1.700 1.00 0.46 O ATOM 895 CB VAL A 62 -1.713 -9.531 -2.147 1.00 0.48 C ATOM 896 CG1 VAL A 62 -2.142 -8.552 -1.063 1.00 0.46 C ATOM 897 CG2 VAL A 62 -0.349 -10.118 -1.811 1.00 0.55 C ATOM 898 H VAL A 62 -1.663 -11.305 -4.013 1.00 0.50 H ATOM 899 HA VAL A 62 -2.810 -11.222 -1.407 1.00 0.51 H ATOM 900 HB VAL A 62 -1.629 -8.991 -3.081 1.00 0.50 H ATOM 901 HG11 VAL A 62 -1.411 -7.762 -0.981 1.00 1.09 H ATOM 902 HG12 VAL A 62 -2.217 -9.072 -0.120 1.00 1.02 H ATOM 903 HG13 VAL A 62 -3.102 -8.130 -1.320 1.00 1.22 H ATOM 904 HG21 VAL A 62 0.368 -9.319 -1.695 1.00 1.09 H ATOM 905 HG22 VAL A 62 -0.031 -10.775 -2.607 1.00 1.23 H ATOM 906 HG23 VAL A 62 -0.416 -10.676 -0.889 1.00 1.16 H ATOM 907 N PHE A 63 -4.416 -9.802 -3.886 1.00 0.45 N ATOM 908 CA PHE A 63 -5.694 -9.213 -4.279 1.00 0.45 C ATOM 909 C PHE A 63 -6.824 -10.234 -4.190 1.00 0.49 C ATOM 910 O PHE A 63 -7.863 -9.967 -3.584 1.00 0.53 O ATOM 911 CB PHE A 63 -5.628 -8.643 -5.701 1.00 0.47 C ATOM 912 CG PHE A 63 -4.644 -7.519 -5.858 1.00 0.39 C ATOM 913 CD1 PHE A 63 -4.774 -6.360 -5.112 1.00 0.31 C ATOM 914 CD2 PHE A 63 -3.596 -7.619 -6.759 1.00 0.48 C ATOM 915 CE1 PHE A 63 -3.876 -5.322 -5.260 1.00 0.30 C ATOM 916 CE2 PHE A 63 -2.696 -6.586 -6.911 1.00 0.46 C ATOM 917 CZ PHE A 63 -2.835 -5.436 -6.161 1.00 0.35 C ATOM 918 H PHE A 63 -3.749 -10.011 -4.574 1.00 0.46 H ATOM 919 HA PHE A 63 -5.906 -8.407 -3.591 1.00 0.43 H ATOM 920 HB2 PHE A 63 -5.345 -9.428 -6.386 1.00 0.53 H ATOM 921 HB3 PHE A 63 -6.605 -8.268 -5.975 1.00 0.52 H ATOM 922 HD1 PHE A 63 -5.585 -6.270 -4.407 1.00 0.35 H ATOM 923 HD2 PHE A 63 -3.485 -8.518 -7.345 1.00 0.61 H ATOM 924 HE1 PHE A 63 -3.987 -4.423 -4.672 1.00 0.34 H ATOM 925 HE2 PHE A 63 -1.883 -6.678 -7.616 1.00 0.57 H ATOM 926 HZ PHE A 63 -2.132 -4.626 -6.280 1.00 0.38 H ATOM 927 N LYS A 64 -6.614 -11.406 -4.783 1.00 0.51 N ATOM 928 CA LYS A 64 -7.650 -12.438 -4.835 1.00 0.57 C ATOM 929 C LYS A 64 -8.009 -12.947 -3.442 1.00 0.57 C ATOM 930 O LYS A 64 -9.186 -13.052 -3.096 1.00 0.61 O ATOM 931 CB LYS A 64 -7.211 -13.600 -5.733 1.00 0.67 C ATOM 932 CG LYS A 64 -5.832 -14.150 -5.409 1.00 1.35 C ATOM 933 CD LYS A 64 -5.433 -15.266 -6.361 1.00 1.76 C ATOM 934 CE LYS A 64 -6.198 -16.549 -6.081 1.00 2.16 C ATOM 935 NZ LYS A 64 -5.788 -17.175 -4.795 1.00 3.03 N1+ ATOM 936 H LYS A 64 -5.741 -11.581 -5.202 1.00 0.50 H ATOM 937 HA LYS A 64 -8.530 -11.987 -5.264 1.00 0.58 H ATOM 938 HB2 LYS A 64 -7.925 -14.403 -5.632 1.00 1.09 H ATOM 939 HB3 LYS A 64 -7.207 -13.263 -6.758 1.00 1.26 H ATOM 940 HG2 LYS A 64 -5.110 -13.352 -5.487 1.00 2.07 H ATOM 941 HG3 LYS A 64 -5.837 -14.536 -4.400 1.00 1.82 H ATOM 942 HD2 LYS A 64 -5.638 -14.952 -7.373 1.00 2.15 H ATOM 943 HD3 LYS A 64 -4.375 -15.457 -6.251 1.00 2.21 H ATOM 944 HE2 LYS A 64 -7.253 -16.322 -6.040 1.00 2.42 H ATOM 945 HE3 LYS A 64 -6.013 -17.245 -6.886 1.00 2.40 H ATOM 946 HZ1 LYS A 64 -6.401 -17.990 -4.585 1.00 3.31 H ATOM 947 HZ2 LYS A 64 -5.863 -16.488 -4.012 1.00 3.57 H ATOM 948 HZ3 LYS A 64 -4.804 -17.504 -4.855 1.00 3.40 H ATOM 949 N ASP A 65 -6.999 -13.248 -2.638 1.00 0.58 N ATOM 950 CA ASP A 65 -7.231 -13.741 -1.287 1.00 0.62 C ATOM 951 C ASP A 65 -7.574 -12.589 -0.354 1.00 0.54 C ATOM 952 O ASP A 65 -8.074 -12.798 0.751 1.00 0.59 O ATOM 953 CB ASP A 65 -6.010 -14.506 -0.767 1.00 0.74 C ATOM 954 CG ASP A 65 -5.789 -15.818 -1.497 1.00 1.35 C ATOM 955 OD1 ASP A 65 -5.195 -15.801 -2.594 1.00 2.28 O1- ATOM 956 OD2 ASP A 65 -6.225 -16.872 -0.987 1.00 1.26 O ATOM 957 H ASP A 65 -6.077 -13.142 -2.961 1.00 0.58 H ATOM 958 HA ASP A 65 -8.074 -14.415 -1.324 1.00 0.69 H ATOM 959 HB2 ASP A 65 -5.129 -13.894 -0.891 1.00 0.93 H ATOM 960 HB3 ASP A 65 -6.149 -14.719 0.283 1.00 1.05 H ATOM 961 N GLY A 66 -7.310 -11.371 -0.814 1.00 0.50 N ATOM 962 CA GLY A 66 -7.630 -10.187 -0.039 1.00 0.47 C ATOM 963 C GLY A 66 -9.124 -9.972 0.074 1.00 0.43 C ATOM 964 O GLY A 66 -9.613 -9.449 1.076 1.00 0.40 O ATOM 965 H GLY A 66 -6.893 -11.273 -1.696 1.00 0.54 H ATOM 966 HA2 GLY A 66 -7.215 -10.294 0.952 1.00 0.50 H ATOM 967 HA3 GLY A 66 -7.188 -9.323 -0.516 1.00 0.49 H ATOM 968 N VAL A 67 -9.854 -10.397 -0.954 1.00 0.49 N ATOM 969 CA VAL A 67 -11.306 -10.275 -0.974 1.00 0.52 C ATOM 970 C VAL A 67 -11.924 -11.095 0.153 1.00 0.52 C ATOM 971 O VAL A 67 -12.896 -10.677 0.785 1.00 0.59 O ATOM 972 CB VAL A 67 -11.891 -10.740 -2.327 1.00 0.66 C ATOM 973 CG1 VAL A 67 -13.403 -10.565 -2.356 1.00 1.04 C ATOM 974 CG2 VAL A 67 -11.246 -9.988 -3.480 1.00 0.92 C ATOM 975 H VAL A 67 -9.400 -10.806 -1.720 1.00 0.54 H ATOM 976 HA VAL A 67 -11.556 -9.235 -0.830 1.00 0.51 H ATOM 977 HB VAL A 67 -11.672 -11.792 -2.446 1.00 0.94 H ATOM 978 HG11 VAL A 67 -13.648 -9.520 -2.228 1.00 1.46 H ATOM 979 HG12 VAL A 67 -13.848 -11.139 -1.558 1.00 1.63 H ATOM 980 HG13 VAL A 67 -13.787 -10.910 -3.305 1.00 1.43 H ATOM 981 HG21 VAL A 67 -11.667 -10.331 -4.413 1.00 1.54 H ATOM 982 HG22 VAL A 67 -10.181 -10.171 -3.477 1.00 1.46 H ATOM 983 HG23 VAL A 67 -11.430 -8.930 -3.368 1.00 1.24 H ATOM 984 N GLY A 68 -11.329 -12.249 0.423 1.00 0.50 N ATOM 985 CA GLY A 68 -11.829 -13.118 1.469 1.00 0.53 C ATOM 986 C GLY A 68 -11.364 -12.688 2.848 1.00 0.43 C ATOM 987 O GLY A 68 -11.637 -13.359 3.840 1.00 0.51 O ATOM 988 H GLY A 68 -10.537 -12.510 -0.092 1.00 0.51 H ATOM 989 HA2 GLY A 68 -12.908 -13.107 1.445 1.00 0.59 H ATOM 990 HA3 GLY A 68 -11.483 -14.126 1.284 1.00 0.62 H ATOM 991 N ALA A 69 -10.665 -11.564 2.906 1.00 0.38 N ATOM 992 CA ALA A 69 -10.160 -11.037 4.162 1.00 0.32 C ATOM 993 C ALA A 69 -10.866 -9.731 4.513 1.00 0.29 C ATOM 994 O ALA A 69 -10.276 -8.826 5.105 1.00 0.31 O ATOM 995 CB ALA A 69 -8.656 -10.832 4.078 1.00 0.35 C ATOM 996 H ALA A 69 -10.487 -11.068 2.077 1.00 0.44 H ATOM 997 HA ALA A 69 -10.359 -11.765 4.935 1.00 0.37 H ATOM 998 HB1 ALA A 69 -8.182 -11.758 3.789 1.00 0.99 H ATOM 999 HB2 ALA A 69 -8.281 -10.522 5.042 1.00 0.96 H ATOM 1000 HB3 ALA A 69 -8.437 -10.070 3.345 1.00 1.00 H ATOM 1001 N ALA A 70 -12.142 -9.652 4.156 1.00 0.33 N ATOM 1002 CA ALA A 70 -12.941 -8.450 4.368 1.00 0.41 C ATOM 1003 C ALA A 70 -13.044 -8.100 5.845 1.00 0.50 C ATOM 1004 O ALA A 70 -13.164 -6.933 6.209 1.00 0.62 O ATOM 1005 CB ALA A 70 -14.332 -8.638 3.781 1.00 0.52 C ATOM 1006 H ALA A 70 -12.565 -10.436 3.744 1.00 0.38 H ATOM 1007 HA ALA A 70 -12.463 -7.634 3.847 1.00 0.42 H ATOM 1008 HB1 ALA A 70 -14.250 -8.894 2.734 1.00 1.29 H ATOM 1009 HB2 ALA A 70 -14.893 -7.722 3.883 1.00 1.12 H ATOM 1010 HB3 ALA A 70 -14.839 -9.433 4.306 1.00 0.97 H ATOM 1011 N ASP A 71 -12.974 -9.114 6.690 1.00 0.53 N ATOM 1012 CA ASP A 71 -13.110 -8.923 8.127 1.00 0.70 C ATOM 1013 C ASP A 71 -11.783 -8.522 8.765 1.00 0.64 C ATOM 1014 O ASP A 71 -11.692 -8.365 9.982 1.00 0.84 O ATOM 1015 CB ASP A 71 -13.647 -10.194 8.786 1.00 0.91 C ATOM 1016 CG ASP A 71 -15.088 -10.473 8.411 1.00 1.72 C ATOM 1017 OD1 ASP A 71 -15.326 -11.135 7.376 1.00 2.17 O1- ATOM 1018 OD2 ASP A 71 -15.994 -10.020 9.145 1.00 2.44 O ATOM 1019 H ASP A 71 -12.837 -10.019 6.337 1.00 0.50 H ATOM 1020 HA ASP A 71 -13.820 -8.125 8.284 1.00 0.86 H ATOM 1021 HB2 ASP A 71 -13.044 -11.035 8.476 1.00 1.43 H ATOM 1022 HB3 ASP A 71 -13.587 -10.089 9.859 1.00 1.34 H ATOM 1023 N THR A 72 -10.758 -8.347 7.941 1.00 0.48 N ATOM 1024 CA THR A 72 -9.453 -7.946 8.441 1.00 0.53 C ATOM 1025 C THR A 72 -8.739 -7.018 7.447 1.00 0.65 C ATOM 1026 O THR A 72 -7.618 -7.282 7.015 1.00 1.42 O ATOM 1027 CB THR A 72 -8.579 -9.181 8.795 1.00 0.64 C ATOM 1028 OG1 THR A 72 -7.297 -8.771 9.293 1.00 1.26 O ATOM 1029 CG2 THR A 72 -8.392 -10.104 7.599 1.00 1.46 C ATOM 1030 H THR A 72 -10.880 -8.495 6.979 1.00 0.43 H ATOM 1031 HA THR A 72 -9.621 -7.391 9.352 1.00 0.60 H ATOM 1032 HB THR A 72 -9.085 -9.735 9.573 1.00 1.46 H ATOM 1033 HG1 THR A 72 -7.069 -7.908 8.918 1.00 1.47 H ATOM 1034 HG21 THR A 72 -9.356 -10.459 7.264 1.00 2.06 H ATOM 1035 HG22 THR A 72 -7.778 -10.946 7.885 1.00 1.97 H ATOM 1036 HG23 THR A 72 -7.911 -9.561 6.800 1.00 1.93 H ATOM 1037 N ASP A 73 -9.426 -5.932 7.081 1.00 0.59 N ATOM 1038 CA ASP A 73 -8.836 -4.837 6.291 1.00 0.55 C ATOM 1039 C ASP A 73 -8.465 -5.261 4.873 1.00 0.43 C ATOM 1040 O ASP A 73 -7.650 -4.606 4.216 1.00 0.47 O ATOM 1041 CB ASP A 73 -7.602 -4.261 6.996 1.00 0.69 C ATOM 1042 CG ASP A 73 -7.945 -3.553 8.287 1.00 1.25 C ATOM 1043 OD1 ASP A 73 -8.535 -2.458 8.228 1.00 1.66 O ATOM 1044 OD2 ASP A 73 -7.609 -4.081 9.370 1.00 1.50 O1- ATOM 1045 H ASP A 73 -10.364 -5.858 7.352 1.00 1.12 H ATOM 1046 HA ASP A 73 -9.583 -4.058 6.224 1.00 0.57 H ATOM 1047 HB2 ASP A 73 -6.920 -5.066 7.222 1.00 0.89 H ATOM 1048 HB3 ASP A 73 -7.114 -3.558 6.337 1.00 0.83 H ATOM 1049 N TYR A 74 -9.066 -6.354 4.406 1.00 0.33 N ATOM 1050 CA TYR A 74 -8.816 -6.882 3.063 1.00 0.28 C ATOM 1051 C TYR A 74 -7.346 -7.240 2.868 1.00 0.35 C ATOM 1052 O TYR A 74 -6.814 -7.157 1.759 1.00 0.37 O ATOM 1053 CB TYR A 74 -9.263 -5.894 1.980 1.00 0.32 C ATOM 1054 CG TYR A 74 -10.752 -5.666 1.943 1.00 0.36 C ATOM 1055 CD1 TYR A 74 -11.615 -6.668 1.525 1.00 0.41 C ATOM 1056 CD2 TYR A 74 -11.295 -4.448 2.328 1.00 0.44 C ATOM 1057 CE1 TYR A 74 -12.980 -6.465 1.492 1.00 0.50 C ATOM 1058 CE2 TYR A 74 -12.660 -4.236 2.297 1.00 0.54 C ATOM 1059 CZ TYR A 74 -13.497 -5.240 1.873 1.00 0.57 C ATOM 1060 OH TYR A 74 -14.859 -5.045 1.851 1.00 0.68 O ATOM 1061 H TYR A 74 -9.694 -6.829 4.989 1.00 0.32 H ATOM 1062 HA TYR A 74 -9.399 -7.786 2.964 1.00 0.24 H ATOM 1063 HB2 TYR A 74 -8.789 -4.941 2.157 1.00 0.35 H ATOM 1064 HB3 TYR A 74 -8.960 -6.271 1.012 1.00 0.35 H ATOM 1065 HD1 TYR A 74 -11.206 -7.620 1.225 1.00 0.42 H ATOM 1066 HD2 TYR A 74 -10.634 -3.657 2.654 1.00 0.47 H ATOM 1067 HE1 TYR A 74 -13.634 -7.258 1.165 1.00 0.57 H ATOM 1068 HE2 TYR A 74 -13.064 -3.282 2.600 1.00 0.63 H ATOM 1069 HH TYR A 74 -15.062 -4.292 1.280 1.00 1.20 H ATOM 1070 N VAL A 75 -6.693 -7.628 3.951 1.00 0.45 N ATOM 1071 CA VAL A 75 -5.319 -8.090 3.883 1.00 0.57 C ATOM 1072 C VAL A 75 -5.210 -9.483 4.485 1.00 0.62 C ATOM 1073 O VAL A 75 -5.616 -9.717 5.626 1.00 0.66 O ATOM 1074 CB VAL A 75 -4.326 -7.128 4.585 1.00 0.72 C ATOM 1075 CG1 VAL A 75 -4.235 -5.811 3.833 1.00 1.12 C ATOM 1076 CG2 VAL A 75 -4.717 -6.883 6.035 1.00 1.38 C ATOM 1077 H VAL A 75 -7.148 -7.608 4.819 1.00 0.49 H ATOM 1078 HA VAL A 75 -5.051 -8.147 2.837 1.00 0.59 H ATOM 1079 HB VAL A 75 -3.348 -7.588 4.575 1.00 1.13 H ATOM 1080 HG11 VAL A 75 -3.854 -5.988 2.837 1.00 1.63 H ATOM 1081 HG12 VAL A 75 -3.570 -5.141 4.358 1.00 1.69 H ATOM 1082 HG13 VAL A 75 -5.216 -5.365 3.769 1.00 1.57 H ATOM 1083 HG21 VAL A 75 -3.960 -6.277 6.513 1.00 1.62 H ATOM 1084 HG22 VAL A 75 -4.799 -7.828 6.551 1.00 1.91 H ATOM 1085 HG23 VAL A 75 -5.665 -6.368 6.071 1.00 2.03 H ATOM 1156 N ARG A 81 3.997 -12.749 1.941 1.00 0.61 N ATOM 1157 CA ARG A 81 4.034 -12.167 0.605 1.00 0.73 C ATOM 1158 C ARG A 81 3.993 -10.653 0.735 1.00 0.72 C ATOM 1159 O ARG A 81 4.488 -9.918 -0.120 1.00 0.96 O ATOM 1160 CB ARG A 81 2.832 -12.635 -0.222 1.00 0.87 C ATOM 1161 CG ARG A 81 2.639 -14.143 -0.248 1.00 1.31 C ATOM 1162 CD ARG A 81 1.359 -14.523 -0.976 1.00 1.36 C ATOM 1163 NE ARG A 81 1.045 -15.941 -0.829 1.00 1.55 N ATOM 1164 CZ ARG A 81 0.741 -16.753 -1.841 1.00 1.73 C ATOM 1165 NH1 ARG A 81 0.772 -16.314 -3.094 1.00 1.75 N1+ ATOM 1166 NH2 ARG A 81 0.424 -18.016 -1.595 1.00 2.33 N ATOM 1167 H ARG A 81 3.160 -13.165 2.263 1.00 0.67 H ATOM 1168 HA ARG A 81 4.952 -12.464 0.122 1.00 0.82 H ATOM 1169 HB2 ARG A 81 1.937 -12.189 0.185 1.00 1.12 H ATOM 1170 HB3 ARG A 81 2.960 -12.293 -1.239 1.00 1.38 H ATOM 1171 HG2 ARG A 81 3.479 -14.597 -0.754 1.00 1.85 H ATOM 1172 HG3 ARG A 81 2.588 -14.509 0.767 1.00 1.67 H ATOM 1173 HD2 ARG A 81 0.544 -13.941 -0.571 1.00 1.74 H ATOM 1174 HD3 ARG A 81 1.474 -14.296 -2.024 1.00 1.46 H ATOM 1175 HE ARG A 81 1.041 -16.308 0.087 1.00 1.91 H ATOM 1176 HH11 ARG A 81 1.028 -15.369 -3.295 1.00 1.86 H ATOM 1177 HH12 ARG A 81 0.537 -16.932 -3.850 1.00 1.99 H ATOM 1178 HH21 ARG A 81 0.411 -18.356 -0.649 1.00 2.76 H ATOM 1179 HH22 ARG A 81 0.200 -18.637 -2.349 1.00 2.50 H ATOM 1180 N VAL A 82 3.394 -10.212 1.832 1.00 0.60 N ATOM 1181 CA VAL A 82 3.222 -8.804 2.121 1.00 0.62 C ATOM 1182 C VAL A 82 4.286 -8.343 3.109 1.00 0.58 C ATOM 1183 O VAL A 82 4.630 -9.063 4.047 1.00 0.74 O ATOM 1184 CB VAL A 82 1.821 -8.529 2.712 1.00 0.69 C ATOM 1185 CG1 VAL A 82 1.610 -7.044 2.958 1.00 0.77 C ATOM 1186 CG2 VAL A 82 0.731 -9.078 1.800 1.00 0.78 C ATOM 1187 H VAL A 82 3.071 -10.866 2.482 1.00 0.66 H ATOM 1188 HA VAL A 82 3.326 -8.251 1.203 1.00 0.67 H ATOM 1189 HB VAL A 82 1.751 -9.040 3.663 1.00 0.70 H ATOM 1190 HG11 VAL A 82 1.707 -6.508 2.027 1.00 1.45 H ATOM 1191 HG12 VAL A 82 2.350 -6.686 3.659 1.00 1.13 H ATOM 1192 HG13 VAL A 82 0.622 -6.884 3.364 1.00 1.19 H ATOM 1193 HG21 VAL A 82 0.797 -8.600 0.833 1.00 0.97 H ATOM 1194 HG22 VAL A 82 -0.237 -8.877 2.235 1.00 1.28 H ATOM 1195 HG23 VAL A 82 0.860 -10.144 1.685 1.00 1.41 H ATOM 1196 N VAL A 83 4.819 -7.156 2.878 1.00 0.42 N ATOM 1197 CA VAL A 83 5.834 -6.594 3.749 1.00 0.42 C ATOM 1198 C VAL A 83 5.223 -5.562 4.693 1.00 0.38 C ATOM 1199 O VAL A 83 5.552 -5.516 5.879 1.00 0.43 O ATOM 1200 CB VAL A 83 6.971 -5.954 2.928 1.00 0.47 C ATOM 1201 CG1 VAL A 83 7.995 -5.285 3.831 1.00 0.65 C ATOM 1202 CG2 VAL A 83 7.639 -7.005 2.056 1.00 0.91 C ATOM 1203 H VAL A 83 4.525 -6.642 2.092 1.00 0.38 H ATOM 1204 HA VAL A 83 6.250 -7.399 4.335 1.00 0.49 H ATOM 1205 HB VAL A 83 6.542 -5.202 2.282 1.00 0.82 H ATOM 1206 HG11 VAL A 83 7.505 -4.537 4.434 1.00 1.34 H ATOM 1207 HG12 VAL A 83 8.759 -4.818 3.225 1.00 1.30 H ATOM 1208 HG13 VAL A 83 8.447 -6.026 4.472 1.00 1.08 H ATOM 1209 HG21 VAL A 83 6.906 -7.443 1.395 1.00 1.50 H ATOM 1210 HG22 VAL A 83 8.064 -7.774 2.684 1.00 1.51 H ATOM 1211 HG23 VAL A 83 8.421 -6.545 1.472 1.00 1.23 H ATOM 1212 N ALA A 84 4.323 -4.747 4.163 1.00 0.35 N ATOM 1213 CA ALA A 84 3.668 -3.719 4.954 1.00 0.34 C ATOM 1214 C ALA A 84 2.291 -3.405 4.387 1.00 0.31 C ATOM 1215 O ALA A 84 2.080 -3.479 3.175 1.00 0.31 O ATOM 1216 CB ALA A 84 4.522 -2.463 5.001 1.00 0.36 C ATOM 1217 H ALA A 84 4.090 -4.841 3.216 1.00 0.37 H ATOM 1218 HA ALA A 84 3.557 -4.093 5.961 1.00 0.35 H ATOM 1219 HB1 ALA A 84 4.068 -1.745 5.667 1.00 1.15 H ATOM 1220 HB2 ALA A 84 4.594 -2.041 4.009 1.00 0.95 H ATOM 1221 HB3 ALA A 84 5.511 -2.713 5.358 1.00 1.12 H ATOM 1222 N HIS A 85 1.355 -3.068 5.266 1.00 0.30 N ATOM 1223 CA HIS A 85 -0.005 -2.732 4.853 1.00 0.28 C ATOM 1224 C HIS A 85 -0.674 -1.819 5.873 1.00 0.28 C ATOM 1225 O HIS A 85 -0.501 -1.991 7.079 1.00 0.36 O ATOM 1226 CB HIS A 85 -0.848 -4.004 4.650 1.00 0.31 C ATOM 1227 CG HIS A 85 -0.797 -4.983 5.790 1.00 0.78 C ATOM 1228 ND1 HIS A 85 -1.790 -5.095 6.738 1.00 0.86 N ATOM 1229 CD2 HIS A 85 0.122 -5.927 6.103 1.00 1.53 C ATOM 1230 CE1 HIS A 85 -1.481 -6.062 7.582 1.00 1.53 C ATOM 1231 NE2 HIS A 85 -0.327 -6.584 7.216 1.00 1.96 N ATOM 1232 H HIS A 85 1.583 -3.047 6.225 1.00 0.33 H ATOM 1233 HA HIS A 85 0.062 -2.204 3.913 1.00 0.27 H ATOM 1234 HB2 HIS A 85 -1.880 -3.719 4.512 1.00 0.53 H ATOM 1235 HB3 HIS A 85 -0.505 -4.514 3.761 1.00 0.79 H ATOM 1236 HD1 HIS A 85 -2.598 -4.539 6.795 1.00 0.68 H ATOM 1237 HD2 HIS A 85 1.046 -6.120 5.578 1.00 1.78 H ATOM 1238 HE1 HIS A 85 -2.077 -6.376 8.427 1.00 1.75 H ATOM 1239 HE2 HIS A 85 0.042 -7.441 7.556 1.00 2.53 H ATOM 1240 N THR A 86 -1.423 -0.841 5.380 1.00 0.25 N ATOM 1241 CA THR A 86 -2.157 0.076 6.242 1.00 0.27 C ATOM 1242 C THR A 86 -3.520 -0.512 6.604 1.00 0.31 C ATOM 1243 O THR A 86 -3.935 -1.527 6.038 1.00 0.50 O ATOM 1244 CB THR A 86 -2.380 1.441 5.556 1.00 0.24 C ATOM 1245 OG1 THR A 86 -3.085 1.256 4.322 1.00 0.27 O ATOM 1246 CG2 THR A 86 -1.062 2.150 5.286 1.00 0.29 C ATOM 1247 H THR A 86 -1.485 -0.730 4.406 1.00 0.25 H ATOM 1248 HA THR A 86 -1.583 0.230 7.144 1.00 0.29 H ATOM 1249 HB THR A 86 -2.975 2.059 6.209 1.00 0.26 H ATOM 1250 HG1 THR A 86 -4.034 1.241 4.499 1.00 0.75 H ATOM 1251 HG21 THR A 86 -1.258 3.157 4.946 1.00 0.87 H ATOM 1252 HG22 THR A 86 -0.518 1.616 4.523 1.00 0.95 H ATOM 1253 HG23 THR A 86 -0.475 2.184 6.192 1.00 0.93 H ATOM 1254 N LYS A 87 -4.210 0.123 7.542 1.00 0.29 N ATOM 1255 CA LYS A 87 -5.572 -0.268 7.883 1.00 0.32 C ATOM 1256 C LYS A 87 -6.516 0.173 6.766 1.00 0.29 C ATOM 1257 O LYS A 87 -6.225 1.134 6.049 1.00 0.35 O ATOM 1258 CB LYS A 87 -5.999 0.374 9.212 1.00 0.40 C ATOM 1259 CG LYS A 87 -7.323 -0.152 9.750 1.00 1.07 C ATOM 1260 CD LYS A 87 -7.779 0.605 10.987 1.00 1.29 C ATOM 1261 CE LYS A 87 -8.319 1.985 10.640 1.00 1.83 C ATOM 1262 NZ LYS A 87 -9.564 1.915 9.828 1.00 2.85 N1+ ATOM 1263 H LYS A 87 -3.796 0.878 8.016 1.00 0.36 H ATOM 1264 HA LYS A 87 -5.606 -1.344 7.972 1.00 0.38 H ATOM 1265 HB2 LYS A 87 -5.235 0.187 9.951 1.00 0.79 H ATOM 1266 HB3 LYS A 87 -6.095 1.439 9.068 1.00 0.87 H ATOM 1267 HG2 LYS A 87 -8.075 -0.049 8.984 1.00 1.64 H ATOM 1268 HG3 LYS A 87 -7.206 -1.196 10.001 1.00 1.57 H ATOM 1269 HD2 LYS A 87 -8.560 0.039 11.474 1.00 1.84 H ATOM 1270 HD3 LYS A 87 -6.940 0.714 11.658 1.00 1.73 H ATOM 1271 HE2 LYS A 87 -8.529 2.514 11.557 1.00 2.18 H ATOM 1272 HE3 LYS A 87 -7.565 2.520 10.082 1.00 2.18 H ATOM 1273 HZ1 LYS A 87 -9.382 1.446 8.918 1.00 3.32 H ATOM 1274 HZ2 LYS A 87 -9.928 2.875 9.645 1.00 3.32 H ATOM 1275 HZ3 LYS A 87 -10.295 1.378 10.342 1.00 3.19 H ATOM 1276 N LEU A 88 -7.630 -0.529 6.612 1.00 0.30 N ATOM 1277 CA LEU A 88 -8.628 -0.164 5.622 1.00 0.37 C ATOM 1278 C LEU A 88 -9.354 1.079 6.114 1.00 0.36 C ATOM 1279 O LEU A 88 -10.087 1.035 7.104 1.00 0.50 O ATOM 1280 CB LEU A 88 -9.604 -1.331 5.396 1.00 0.52 C ATOM 1281 CG LEU A 88 -10.435 -1.294 4.100 1.00 0.56 C ATOM 1282 CD1 LEU A 88 -11.552 -0.263 4.178 1.00 1.24 C ATOM 1283 CD2 LEU A 88 -9.544 -1.015 2.895 1.00 0.92 C ATOM 1284 H LEU A 88 -7.798 -1.309 7.197 1.00 0.33 H ATOM 1285 HA LEU A 88 -8.115 0.066 4.700 1.00 0.37 H ATOM 1286 HB2 LEU A 88 -9.033 -2.247 5.396 1.00 1.08 H ATOM 1287 HB3 LEU A 88 -10.287 -1.361 6.232 1.00 0.96 H ATOM 1288 HG LEU A 88 -10.893 -2.262 3.957 1.00 1.28 H ATOM 1289 HD11 LEU A 88 -12.231 -0.529 4.974 1.00 1.77 H ATOM 1290 HD12 LEU A 88 -12.088 -0.244 3.242 1.00 1.65 H ATOM 1291 HD13 LEU A 88 -11.132 0.711 4.373 1.00 1.90 H ATOM 1292 HD21 LEU A 88 -10.134 -1.055 1.994 1.00 1.61 H ATOM 1293 HD22 LEU A 88 -8.761 -1.755 2.844 1.00 1.43 H ATOM 1294 HD23 LEU A 88 -9.104 -0.033 2.991 1.00 1.41 H ATOM 1295 N ILE A 89 -9.119 2.191 5.442 1.00 0.31 N ATOM 1296 CA ILE A 89 -9.624 3.470 5.903 1.00 0.31 C ATOM 1297 C ILE A 89 -10.682 4.033 4.964 1.00 0.33 C ATOM 1298 O ILE A 89 -10.557 3.949 3.738 1.00 0.35 O ATOM 1299 CB ILE A 89 -8.479 4.493 6.070 1.00 0.27 C ATOM 1300 CG1 ILE A 89 -7.664 4.626 4.778 1.00 0.23 C ATOM 1301 CG2 ILE A 89 -7.581 4.084 7.230 1.00 0.28 C ATOM 1302 CD1 ILE A 89 -6.594 5.699 4.836 1.00 0.21 C ATOM 1303 H ILE A 89 -8.591 2.152 4.613 1.00 0.34 H ATOM 1304 HA ILE A 89 -10.074 3.314 6.873 1.00 0.33 H ATOM 1305 HB ILE A 89 -8.916 5.447 6.310 1.00 0.29 H ATOM 1306 HG12 ILE A 89 -7.173 3.686 4.571 1.00 0.23 H ATOM 1307 HG13 ILE A 89 -8.331 4.864 3.962 1.00 0.25 H ATOM 1308 HG21 ILE A 89 -6.807 4.824 7.364 1.00 1.00 H ATOM 1309 HG22 ILE A 89 -7.131 3.126 7.014 1.00 1.10 H ATOM 1310 HG23 ILE A 89 -8.170 4.010 8.133 1.00 0.97 H ATOM 1311 HD11 ILE A 89 -7.052 6.653 5.050 1.00 1.06 H ATOM 1312 HD12 ILE A 89 -6.084 5.751 3.885 1.00 1.01 H ATOM 1313 HD13 ILE A 89 -5.884 5.458 5.612 1.00 1.03 H ATOM 1314 N GLY A 90 -11.737 4.584 5.552 1.00 0.34 N ATOM 1315 CA GLY A 90 -12.775 5.232 4.776 1.00 0.37 C ATOM 1316 C GLY A 90 -12.505 6.713 4.603 1.00 0.51 C ATOM 1317 O GLY A 90 -11.411 7.189 4.912 1.00 0.79 O ATOM 1318 H GLY A 90 -11.813 4.548 6.535 1.00 0.34 H ATOM 1319 HA2 GLY A 90 -12.826 4.767 3.801 1.00 0.41 H ATOM 1320 HA3 GLY A 90 -13.723 5.106 5.278 1.00 0.51 H ATOM 1321 N GLY A 91 -13.491 7.439 4.093 1.00 0.60 N ATOM 1322 CA GLY A 91 -13.330 8.863 3.870 1.00 0.81 C ATOM 1323 C GLY A 91 -13.119 9.627 5.159 1.00 0.57 C ATOM 1324 O GLY A 91 -13.955 9.573 6.062 1.00 0.70 O ATOM 1325 H GLY A 91 -14.342 7.002 3.865 1.00 0.72 H ATOM 1326 HA2 GLY A 91 -12.479 9.021 3.224 1.00 1.07 H ATOM 1327 HA3 GLY A 91 -14.215 9.244 3.381 1.00 1.15 H ATOM 1328 N GLY A 92 -11.998 10.326 5.252 1.00 0.54 N ATOM 1329 CA GLY A 92 -11.711 11.113 6.431 1.00 0.56 C ATOM 1330 C GLY A 92 -10.832 10.373 7.416 1.00 0.52 C ATOM 1331 O GLY A 92 -10.626 10.830 8.542 1.00 0.80 O ATOM 1332 H GLY A 92 -11.350 10.301 4.510 1.00 0.73 H ATOM 1333 HA2 GLY A 92 -11.212 12.025 6.132 1.00 0.75 H ATOM 1334 HA3 GLY A 92 -12.643 11.366 6.917 1.00 0.61 H ATOM 1335 N GLU A 93 -10.323 9.223 6.999 1.00 0.34 N ATOM 1336 CA GLU A 93 -9.437 8.429 7.835 1.00 0.27 C ATOM 1337 C GLU A 93 -8.010 8.464 7.300 1.00 0.23 C ATOM 1338 O GLU A 93 -7.779 8.794 6.132 1.00 0.29 O ATOM 1339 CB GLU A 93 -9.911 6.978 7.897 1.00 0.30 C ATOM 1340 CG GLU A 93 -11.122 6.735 8.782 1.00 0.38 C ATOM 1341 CD GLU A 93 -11.437 5.257 8.907 1.00 1.32 C ATOM 1342 OE1 GLU A 93 -10.692 4.535 9.598 1.00 1.33 O ATOM 1343 OE2 GLU A 93 -12.450 4.811 8.326 1.00 2.34 O1- ATOM 1344 H GLU A 93 -10.546 8.898 6.099 1.00 0.47 H ATOM 1345 HA GLU A 93 -9.447 8.850 8.828 1.00 0.28 H ATOM 1346 HB2 GLU A 93 -10.170 6.665 6.896 1.00 0.35 H ATOM 1347 HB3 GLU A 93 -9.098 6.364 8.259 1.00 0.34 H ATOM 1348 HG2 GLU A 93 -10.923 7.130 9.765 1.00 0.80 H ATOM 1349 HG3 GLU A 93 -11.979 7.239 8.356 1.00 0.91 H ATOM 1350 N GLU A 94 -7.057 8.116 8.157 1.00 0.21 N ATOM 1351 CA GLU A 94 -5.664 8.018 7.754 1.00 0.21 C ATOM 1352 C GLU A 94 -4.984 6.862 8.482 1.00 0.22 C ATOM 1353 O GLU A 94 -5.345 6.529 9.614 1.00 0.28 O ATOM 1354 CB GLU A 94 -4.907 9.336 8.012 1.00 0.25 C ATOM 1355 CG GLU A 94 -4.706 9.696 9.479 1.00 0.83 C ATOM 1356 CD GLU A 94 -5.985 10.094 10.182 1.00 1.27 C ATOM 1357 OE1 GLU A 94 -6.668 11.021 9.704 1.00 1.67 O1- ATOM 1358 OE2 GLU A 94 -6.329 9.469 11.204 1.00 1.86 O ATOM 1359 H GLU A 94 -7.298 7.918 9.087 1.00 0.24 H ATOM 1360 HA GLU A 94 -5.649 7.808 6.693 1.00 0.23 H ATOM 1361 HB2 GLU A 94 -3.932 9.266 7.556 1.00 0.79 H ATOM 1362 HB3 GLU A 94 -5.454 10.143 7.542 1.00 0.79 H ATOM 1363 HG2 GLU A 94 -4.290 8.839 9.988 1.00 1.45 H ATOM 1364 HG3 GLU A 94 -4.009 10.520 9.539 1.00 1.66 H ATOM 1365 N SER A 95 -4.014 6.246 7.822 1.00 0.22 N ATOM 1366 CA SER A 95 -3.273 5.135 8.401 1.00 0.27 C ATOM 1367 C SER A 95 -1.851 5.137 7.852 1.00 0.23 C ATOM 1368 O SER A 95 -1.609 5.626 6.747 1.00 0.29 O ATOM 1369 CB SER A 95 -3.980 3.805 8.098 1.00 0.37 C ATOM 1370 OG SER A 95 -3.346 2.715 8.747 1.00 1.35 O ATOM 1371 H SER A 95 -3.779 6.556 6.918 1.00 0.21 H ATOM 1372 HA SER A 95 -3.235 5.281 9.470 1.00 0.31 H ATOM 1373 HB2 SER A 95 -5.002 3.860 8.443 1.00 0.95 H ATOM 1374 HB3 SER A 95 -3.969 3.628 7.032 1.00 0.81 H ATOM 1375 HG SER A 95 -3.358 2.863 9.705 1.00 1.86 H ATOM 1376 N SER A 96 -0.911 4.610 8.621 1.00 0.28 N ATOM 1377 CA SER A 96 0.490 4.649 8.242 1.00 0.25 C ATOM 1378 C SER A 96 1.156 3.299 8.476 1.00 0.27 C ATOM 1379 O SER A 96 0.680 2.490 9.276 1.00 0.35 O ATOM 1380 CB SER A 96 1.218 5.735 9.042 1.00 0.29 C ATOM 1381 OG SER A 96 0.598 6.998 8.870 1.00 1.00 O ATOM 1382 H SER A 96 -1.168 4.168 9.459 1.00 0.41 H ATOM 1383 HA SER A 96 0.545 4.889 7.190 1.00 0.22 H ATOM 1384 HB2 SER A 96 1.198 5.479 10.092 1.00 0.79 H ATOM 1385 HB3 SER A 96 2.244 5.801 8.708 1.00 0.85 H ATOM 1386 HG SER A 96 -0.295 6.966 9.233 1.00 1.19 H ATOM 1387 N LEU A 97 2.247 3.060 7.768 1.00 0.22 N ATOM 1388 CA LEU A 97 3.031 1.849 7.945 1.00 0.25 C ATOM 1389 C LEU A 97 4.515 2.178 7.911 1.00 0.24 C ATOM 1390 O LEU A 97 4.913 3.210 7.376 1.00 0.21 O ATOM 1391 CB LEU A 97 2.682 0.809 6.865 1.00 0.26 C ATOM 1392 CG LEU A 97 2.851 1.262 5.399 1.00 0.23 C ATOM 1393 CD1 LEU A 97 4.310 1.219 4.961 1.00 0.23 C ATOM 1394 CD2 LEU A 97 2.012 0.398 4.474 1.00 0.25 C ATOM 1395 H LEU A 97 2.536 3.723 7.101 1.00 0.20 H ATOM 1396 HA LEU A 97 2.791 1.441 8.915 1.00 0.29 H ATOM 1397 HB2 LEU A 97 3.306 -0.059 7.022 1.00 0.28 H ATOM 1398 HB3 LEU A 97 1.652 0.515 7.010 1.00 0.28 H ATOM 1399 HG LEU A 97 2.507 2.284 5.305 1.00 0.22 H ATOM 1400 HD11 LEU A 97 4.671 0.202 5.009 1.00 1.00 H ATOM 1401 HD12 LEU A 97 4.903 1.839 5.616 1.00 0.99 H ATOM 1402 HD13 LEU A 97 4.394 1.581 3.947 1.00 0.91 H ATOM 1403 HD21 LEU A 97 0.985 0.401 4.807 1.00 0.99 H ATOM 1404 HD22 LEU A 97 2.390 -0.613 4.485 1.00 1.13 H ATOM 1405 HD23 LEU A 97 2.064 0.790 3.469 1.00 0.91 H ATOM 1406 N THR A 98 5.323 1.306 8.481 1.00 0.31 N ATOM 1407 CA THR A 98 6.766 1.448 8.419 1.00 0.31 C ATOM 1408 C THR A 98 7.380 0.161 7.885 1.00 0.32 C ATOM 1409 O THR A 98 7.110 -0.923 8.400 1.00 0.41 O ATOM 1410 CB THR A 98 7.364 1.785 9.798 1.00 0.37 C ATOM 1411 OG1 THR A 98 6.779 2.994 10.303 1.00 1.14 O ATOM 1412 CG2 THR A 98 8.872 1.949 9.712 1.00 0.79 C ATOM 1413 H THR A 98 4.941 0.537 8.955 1.00 0.37 H ATOM 1414 HA THR A 98 6.992 2.255 7.737 1.00 0.27 H ATOM 1415 HB THR A 98 7.144 0.975 10.474 1.00 0.78 H ATOM 1416 HG1 THR A 98 7.120 3.754 9.800 1.00 1.78 H ATOM 1417 HG21 THR A 98 9.267 2.164 10.694 1.00 1.25 H ATOM 1418 HG22 THR A 98 9.107 2.764 9.043 1.00 1.51 H ATOM 1419 HG23 THR A 98 9.311 1.037 9.339 1.00 1.23 H ATOM 1420 N LEU A 99 8.183 0.283 6.846 1.00 0.30 N ATOM 1421 CA LEU A 99 8.731 -0.878 6.171 1.00 0.34 C ATOM 1422 C LEU A 99 10.251 -0.892 6.237 1.00 0.32 C ATOM 1423 O LEU A 99 10.887 0.141 6.470 1.00 0.29 O ATOM 1424 CB LEU A 99 8.247 -0.898 4.714 1.00 0.37 C ATOM 1425 CG LEU A 99 8.519 0.377 3.905 1.00 0.37 C ATOM 1426 CD1 LEU A 99 9.914 0.354 3.297 1.00 0.42 C ATOM 1427 CD2 LEU A 99 7.471 0.550 2.820 1.00 0.49 C ATOM 1428 H LEU A 99 8.422 1.184 6.527 1.00 0.30 H ATOM 1429 HA LEU A 99 8.355 -1.756 6.675 1.00 0.41 H ATOM 1430 HB2 LEU A 99 8.730 -1.723 4.210 1.00 0.42 H ATOM 1431 HB3 LEU A 99 7.180 -1.075 4.716 1.00 0.44 H ATOM 1432 HG LEU A 99 8.459 1.230 4.566 1.00 0.43 H ATOM 1433 HD11 LEU A 99 10.063 1.243 2.704 1.00 1.16 H ATOM 1434 HD12 LEU A 99 10.017 -0.518 2.669 1.00 1.02 H ATOM 1435 HD13 LEU A 99 10.650 0.319 4.085 1.00 1.08 H ATOM 1436 HD21 LEU A 99 7.722 1.404 2.209 1.00 1.13 H ATOM 1437 HD22 LEU A 99 6.503 0.707 3.274 1.00 1.11 H ATOM 1438 HD23 LEU A 99 7.439 -0.336 2.204 1.00 1.05 H ATOM 1439 N ASP A 100 10.820 -2.072 6.036 1.00 0.38 N ATOM 1440 CA ASP A 100 12.264 -2.247 6.022 1.00 0.40 C ATOM 1441 C ASP A 100 12.782 -2.275 4.582 1.00 0.38 C ATOM 1442 O ASP A 100 12.349 -3.103 3.777 1.00 0.42 O ATOM 1443 CB ASP A 100 12.633 -3.548 6.735 1.00 0.50 C ATOM 1444 CG ASP A 100 14.115 -3.842 6.669 1.00 1.26 C ATOM 1445 OD1 ASP A 100 14.861 -3.326 7.522 1.00 1.72 O ATOM 1446 OD2 ASP A 100 14.540 -4.589 5.764 1.00 2.08 O1- ATOM 1447 H ASP A 100 10.248 -2.857 5.896 1.00 0.44 H ATOM 1448 HA ASP A 100 12.706 -1.416 6.546 1.00 0.41 H ATOM 1449 HB2 ASP A 100 12.346 -3.477 7.774 1.00 0.99 H ATOM 1450 HB3 ASP A 100 12.101 -4.367 6.275 1.00 1.13 H ATOM 1451 N PRO A 101 13.711 -1.357 4.239 1.00 0.38 N ATOM 1452 CA PRO A 101 14.271 -1.248 2.882 1.00 0.41 C ATOM 1453 C PRO A 101 14.989 -2.511 2.424 1.00 0.39 C ATOM 1454 O PRO A 101 15.013 -2.821 1.233 1.00 0.43 O ATOM 1455 CB PRO A 101 15.276 -0.097 2.985 1.00 0.46 C ATOM 1456 CG PRO A 101 14.873 0.669 4.194 1.00 0.53 C ATOM 1457 CD PRO A 101 14.274 -0.334 5.141 1.00 0.43 C ATOM 1458 HA PRO A 101 13.506 -0.997 2.163 1.00 0.45 H ATOM 1459 HB2 PRO A 101 16.274 -0.499 3.091 1.00 0.60 H ATOM 1460 HB3 PRO A 101 15.224 0.513 2.096 1.00 0.60 H ATOM 1461 HG2 PRO A 101 15.744 1.132 4.640 1.00 0.87 H ATOM 1462 HG3 PRO A 101 14.144 1.420 3.925 1.00 0.67 H ATOM 1463 HD2 PRO A 101 15.039 -0.757 5.778 1.00 0.54 H ATOM 1464 HD3 PRO A 101 13.498 0.128 5.734 1.00 0.45 H ATOM 1465 N ALA A 102 15.575 -3.237 3.365 1.00 0.42 N ATOM 1466 CA ALA A 102 16.336 -4.431 3.036 1.00 0.48 C ATOM 1467 C ALA A 102 15.405 -5.559 2.608 1.00 0.46 C ATOM 1468 O ALA A 102 15.757 -6.372 1.756 1.00 0.49 O ATOM 1469 CB ALA A 102 17.199 -4.857 4.213 1.00 0.62 C ATOM 1470 H ALA A 102 15.479 -2.973 4.304 1.00 0.44 H ATOM 1471 HA ALA A 102 16.988 -4.189 2.211 1.00 0.52 H ATOM 1472 HB1 ALA A 102 17.770 -5.732 3.944 1.00 1.15 H ATOM 1473 HB2 ALA A 102 16.567 -5.086 5.060 1.00 1.23 H ATOM 1474 HB3 ALA A 102 17.872 -4.053 4.475 1.00 1.20 H ATOM 1475 N LYS A 103 14.213 -5.593 3.195 1.00 0.47 N ATOM 1476 CA LYS A 103 13.202 -6.577 2.823 1.00 0.52 C ATOM 1477 C LYS A 103 12.753 -6.357 1.386 1.00 0.52 C ATOM 1478 O LYS A 103 12.490 -7.307 0.651 1.00 0.69 O ATOM 1479 CB LYS A 103 11.992 -6.504 3.763 1.00 0.60 C ATOM 1480 CG LYS A 103 12.262 -7.015 5.171 1.00 1.28 C ATOM 1481 CD LYS A 103 12.483 -8.522 5.201 1.00 1.53 C ATOM 1482 CE LYS A 103 11.220 -9.286 4.823 1.00 2.13 C ATOM 1483 NZ LYS A 103 11.407 -10.760 4.913 1.00 2.92 N1+ ATOM 1484 H LYS A 103 14.011 -4.939 3.904 1.00 0.50 H ATOM 1485 HA LYS A 103 13.650 -7.557 2.900 1.00 0.58 H ATOM 1486 HB2 LYS A 103 11.673 -5.474 3.836 1.00 0.99 H ATOM 1487 HB3 LYS A 103 11.188 -7.088 3.340 1.00 0.88 H ATOM 1488 HG2 LYS A 103 13.145 -6.527 5.556 1.00 1.96 H ATOM 1489 HG3 LYS A 103 11.416 -6.773 5.797 1.00 1.90 H ATOM 1490 HD2 LYS A 103 13.266 -8.777 4.503 1.00 1.89 H ATOM 1491 HD3 LYS A 103 12.782 -8.811 6.198 1.00 2.01 H ATOM 1492 HE2 LYS A 103 10.425 -8.994 5.492 1.00 2.44 H ATOM 1493 HE3 LYS A 103 10.948 -9.029 3.810 1.00 2.49 H ATOM 1494 HZ1 LYS A 103 11.666 -11.032 5.883 1.00 3.51 H ATOM 1495 HZ2 LYS A 103 12.163 -11.067 4.268 1.00 3.15 H ATOM 1496 HZ3 LYS A 103 10.528 -11.250 4.651 1.00 3.29 H ATOM 1497 N LEU A 104 12.696 -5.095 0.981 1.00 0.43 N ATOM 1498 CA LEU A 104 12.259 -4.749 -0.366 1.00 0.44 C ATOM 1499 C LEU A 104 13.391 -4.949 -1.362 1.00 0.47 C ATOM 1500 O LEU A 104 13.190 -4.898 -2.573 1.00 0.51 O ATOM 1501 CB LEU A 104 11.766 -3.304 -0.430 1.00 0.43 C ATOM 1502 CG LEU A 104 10.641 -2.939 0.542 1.00 0.70 C ATOM 1503 CD1 LEU A 104 10.125 -1.540 0.249 1.00 1.22 C ATOM 1504 CD2 LEU A 104 9.508 -3.953 0.473 1.00 1.30 C ATOM 1505 H LEU A 104 12.957 -4.379 1.600 1.00 0.44 H ATOM 1506 HA LEU A 104 11.447 -5.411 -0.628 1.00 0.47 H ATOM 1507 HB2 LEU A 104 12.607 -2.655 -0.233 1.00 0.46 H ATOM 1508 HB3 LEU A 104 11.417 -3.114 -1.436 1.00 0.51 H ATOM 1509 HG LEU A 104 11.033 -2.943 1.550 1.00 1.66 H ATOM 1510 HD11 LEU A 104 9.773 -1.493 -0.771 1.00 1.74 H ATOM 1511 HD12 LEU A 104 10.923 -0.826 0.388 1.00 1.92 H ATOM 1512 HD13 LEU A 104 9.313 -1.309 0.920 1.00 1.59 H ATOM 1513 HD21 LEU A 104 8.710 -3.645 1.133 1.00 1.92 H ATOM 1514 HD22 LEU A 104 9.873 -4.921 0.778 1.00 1.86 H ATOM 1515 HD23 LEU A 104 9.135 -4.011 -0.538 1.00 1.80 H ATOM 1516 N ALA A 105 14.582 -5.184 -0.841 1.00 0.55 N ATOM 1517 CA ALA A 105 15.747 -5.403 -1.677 1.00 0.63 C ATOM 1518 C ALA A 105 15.854 -6.868 -2.085 1.00 0.72 C ATOM 1519 O ALA A 105 16.686 -7.234 -2.915 1.00 1.08 O ATOM 1520 CB ALA A 105 17.011 -4.953 -0.958 1.00 0.73 C ATOM 1521 H ALA A 105 14.680 -5.209 0.133 1.00 0.61 H ATOM 1522 HA ALA A 105 15.632 -4.800 -2.565 1.00 0.64 H ATOM 1523 HB1 ALA A 105 17.149 -5.547 -0.067 1.00 1.11 H ATOM 1524 HB2 ALA A 105 16.919 -3.912 -0.686 1.00 1.40 H ATOM 1525 HB3 ALA A 105 17.862 -5.079 -1.611 1.00 1.23 H ATOM 1526 N ASP A 106 14.994 -7.702 -1.511 1.00 0.69 N ATOM 1527 CA ASP A 106 15.023 -9.138 -1.783 1.00 0.81 C ATOM 1528 C ASP A 106 14.054 -9.518 -2.897 1.00 0.82 C ATOM 1529 O ASP A 106 13.612 -10.667 -2.986 1.00 1.27 O ATOM 1530 CB ASP A 106 14.705 -9.949 -0.521 1.00 1.07 C ATOM 1531 CG ASP A 106 15.870 -10.006 0.446 1.00 1.45 C ATOM 1532 OD1 ASP A 106 17.010 -10.261 0.006 1.00 2.04 O1- ATOM 1533 OD2 ASP A 106 15.655 -9.769 1.653 1.00 1.96 O ATOM 1534 H ASP A 106 14.320 -7.343 -0.895 1.00 0.83 H ATOM 1535 HA ASP A 106 16.023 -9.383 -2.107 1.00 0.87 H ATOM 1536 HB2 ASP A 106 13.864 -9.501 -0.014 1.00 1.46 H ATOM 1537 HB3 ASP A 106 14.451 -10.957 -0.806 1.00 1.43 H ATOM 1538 N GLY A 107 13.727 -8.556 -3.743 1.00 0.61 N ATOM 1539 CA GLY A 107 12.852 -8.820 -4.864 1.00 0.74 C ATOM 1540 C GLY A 107 12.293 -7.546 -5.448 1.00 0.60 C ATOM 1541 O GLY A 107 12.741 -6.454 -5.097 1.00 0.52 O ATOM 1542 H GLY A 107 14.075 -7.650 -3.602 1.00 0.67 H ATOM 1543 HA2 GLY A 107 13.407 -9.344 -5.628 1.00 0.92 H ATOM 1544 HA3 GLY A 107 12.033 -9.441 -4.531 1.00 0.94 H ATOM 1545 N ASP A 108 11.326 -7.679 -6.338 1.00 0.64 N ATOM 1546 CA ASP A 108 10.659 -6.520 -6.907 1.00 0.59 C ATOM 1547 C ASP A 108 9.247 -6.420 -6.360 1.00 0.43 C ATOM 1548 O ASP A 108 8.443 -7.341 -6.506 1.00 0.38 O ATOM 1549 CB ASP A 108 10.630 -6.588 -8.432 1.00 0.73 C ATOM 1550 CG ASP A 108 9.912 -5.402 -9.038 1.00 1.22 C ATOM 1551 OD1 ASP A 108 10.222 -4.258 -8.658 1.00 1.56 O ATOM 1552 OD2 ASP A 108 9.046 -5.598 -9.919 1.00 2.02 O1- ATOM 1553 H ASP A 108 11.043 -8.578 -6.611 1.00 0.73 H ATOM 1554 HA ASP A 108 11.211 -5.643 -6.603 1.00 0.63 H ATOM 1555 HB2 ASP A 108 11.643 -6.607 -8.807 1.00 1.07 H ATOM 1556 HB3 ASP A 108 10.119 -7.490 -8.734 1.00 1.40 H ATOM 1557 N TYR A 109 8.963 -5.319 -5.697 1.00 0.39 N ATOM 1558 CA TYR A 109 7.702 -5.156 -4.995 1.00 0.32 C ATOM 1559 C TYR A 109 6.770 -4.174 -5.696 1.00 0.30 C ATOM 1560 O TYR A 109 7.198 -3.354 -6.514 1.00 0.35 O ATOM 1561 CB TYR A 109 7.970 -4.723 -3.553 1.00 0.35 C ATOM 1562 CG TYR A 109 8.675 -5.794 -2.749 1.00 0.31 C ATOM 1563 CD1 TYR A 109 10.033 -6.019 -2.905 1.00 0.37 C ATOM 1564 CD2 TYR A 109 7.989 -6.557 -1.814 1.00 0.39 C ATOM 1565 CE1 TYR A 109 10.687 -6.974 -2.154 1.00 0.39 C ATOM 1566 CE2 TYR A 109 8.635 -7.515 -1.062 1.00 0.39 C ATOM 1567 CZ TYR A 109 9.953 -7.798 -1.309 1.00 0.34 C ATOM 1568 OH TYR A 109 10.634 -8.673 -0.486 1.00 0.40 O ATOM 1569 H TYR A 109 9.618 -4.589 -5.682 1.00 0.44 H ATOM 1570 HA TYR A 109 7.220 -6.123 -4.977 1.00 0.30 H ATOM 1571 HB2 TYR A 109 8.591 -3.839 -3.556 1.00 0.42 H ATOM 1572 HB3 TYR A 109 7.033 -4.499 -3.066 1.00 0.40 H ATOM 1573 HD1 TYR A 109 10.582 -5.437 -3.630 1.00 0.49 H ATOM 1574 HD2 TYR A 109 6.930 -6.396 -1.678 1.00 0.53 H ATOM 1575 HE1 TYR A 109 11.745 -7.133 -2.290 1.00 0.53 H ATOM 1576 HE2 TYR A 109 8.081 -8.099 -0.343 1.00 0.52 H ATOM 1577 HH TYR A 109 10.165 -9.515 -0.560 1.00 0.87 H ATOM 1578 N LYS A 110 5.490 -4.293 -5.386 1.00 0.28 N ATOM 1579 CA LYS A 110 4.476 -3.360 -5.854 1.00 0.29 C ATOM 1580 C LYS A 110 3.713 -2.808 -4.661 1.00 0.22 C ATOM 1581 O LYS A 110 3.704 -3.421 -3.594 1.00 0.25 O ATOM 1582 CB LYS A 110 3.478 -4.050 -6.796 1.00 0.39 C ATOM 1583 CG LYS A 110 3.996 -4.332 -8.197 1.00 0.62 C ATOM 1584 CD LYS A 110 2.901 -4.967 -9.046 1.00 0.67 C ATOM 1585 CE LYS A 110 3.240 -4.973 -10.532 1.00 1.21 C ATOM 1586 NZ LYS A 110 4.290 -5.968 -10.875 1.00 1.53 N1+ ATOM 1587 H LYS A 110 5.210 -5.035 -4.799 1.00 0.28 H ATOM 1588 HA LYS A 110 4.969 -2.550 -6.374 1.00 0.32 H ATOM 1589 HB2 LYS A 110 3.186 -4.993 -6.354 1.00 0.79 H ATOM 1590 HB3 LYS A 110 2.598 -3.424 -6.883 1.00 0.77 H ATOM 1591 HG2 LYS A 110 4.305 -3.402 -8.654 1.00 1.02 H ATOM 1592 HG3 LYS A 110 4.837 -5.009 -8.137 1.00 1.02 H ATOM 1593 HD2 LYS A 110 2.761 -5.986 -8.719 1.00 1.23 H ATOM 1594 HD3 LYS A 110 1.983 -4.413 -8.899 1.00 1.09 H ATOM 1595 HE2 LYS A 110 2.344 -5.209 -11.087 1.00 1.82 H ATOM 1596 HE3 LYS A 110 3.583 -3.990 -10.810 1.00 1.89 H ATOM 1597 HZ1 LYS A 110 3.963 -6.930 -10.645 1.00 2.11 H ATOM 1598 HZ2 LYS A 110 5.160 -5.774 -10.347 1.00 1.90 H ATOM 1599 HZ3 LYS A 110 4.503 -5.924 -11.893 1.00 1.84 H ATOM 1600 N PHE A 111 3.080 -1.659 -4.835 1.00 0.20 N ATOM 1601 CA PHE A 111 2.166 -1.148 -3.824 1.00 0.19 C ATOM 1602 C PHE A 111 0.806 -0.931 -4.462 1.00 0.17 C ATOM 1603 O PHE A 111 0.725 -0.536 -5.627 1.00 0.21 O ATOM 1604 CB PHE A 111 2.682 0.147 -3.166 1.00 0.22 C ATOM 1605 CG PHE A 111 2.524 1.399 -3.987 1.00 0.20 C ATOM 1606 CD1 PHE A 111 1.374 2.169 -3.885 1.00 0.22 C ATOM 1607 CD2 PHE A 111 3.528 1.815 -4.843 1.00 0.19 C ATOM 1608 CE1 PHE A 111 1.230 3.327 -4.621 1.00 0.23 C ATOM 1609 CE2 PHE A 111 3.388 2.972 -5.583 1.00 0.20 C ATOM 1610 CZ PHE A 111 2.238 3.728 -5.472 1.00 0.21 C ATOM 1611 H PHE A 111 3.213 -1.153 -5.667 1.00 0.22 H ATOM 1612 HA PHE A 111 2.065 -1.912 -3.065 1.00 0.20 H ATOM 1613 HB2 PHE A 111 2.149 0.300 -2.242 1.00 0.26 H ATOM 1614 HB3 PHE A 111 3.734 0.029 -2.945 1.00 0.25 H ATOM 1615 HD1 PHE A 111 0.584 1.855 -3.220 1.00 0.25 H ATOM 1616 HD2 PHE A 111 4.427 1.223 -4.933 1.00 0.19 H ATOM 1617 HE1 PHE A 111 0.330 3.916 -4.535 1.00 0.27 H ATOM 1618 HE2 PHE A 111 4.179 3.282 -6.251 1.00 0.21 H ATOM 1619 HZ PHE A 111 2.130 4.634 -6.047 1.00 0.24 H ATOM 1620 N ALA A 112 -0.253 -1.211 -3.723 1.00 0.14 N ATOM 1621 CA ALA A 112 -1.593 -1.138 -4.283 1.00 0.15 C ATOM 1622 C ALA A 112 -2.662 -1.126 -3.203 1.00 0.15 C ATOM 1623 O ALA A 112 -2.376 -1.332 -2.023 1.00 0.17 O ATOM 1624 CB ALA A 112 -1.824 -2.320 -5.210 1.00 0.19 C ATOM 1625 H ALA A 112 -0.133 -1.479 -2.782 1.00 0.16 H ATOM 1626 HA ALA A 112 -1.666 -0.231 -4.864 1.00 0.16 H ATOM 1627 HB1 ALA A 112 -1.030 -2.367 -5.939 1.00 0.97 H ATOM 1628 HB2 ALA A 112 -2.772 -2.202 -5.715 1.00 0.94 H ATOM 1629 HB3 ALA A 112 -1.835 -3.232 -4.632 1.00 0.90 H ATOM 1630 N CYS A 113 -3.890 -0.878 -3.634 1.00 0.15 N ATOM 1631 CA CYS A 113 -5.056 -0.959 -2.770 1.00 0.14 C ATOM 1632 C CYS A 113 -5.730 -2.310 -2.989 1.00 0.14 C ATOM 1633 O CYS A 113 -6.095 -2.648 -4.117 1.00 0.16 O ATOM 1634 CB CYS A 113 -6.027 0.191 -3.087 1.00 0.14 C ATOM 1635 SG CYS A 113 -7.441 0.312 -1.970 1.00 0.13 S ATOM 1636 H CYS A 113 -4.017 -0.640 -4.578 1.00 0.16 H ATOM 1637 HA CYS A 113 -4.726 -0.886 -1.743 1.00 0.14 H ATOM 1638 HB2 CYS A 113 -5.493 1.128 -3.035 1.00 0.18 H ATOM 1639 HB3 CYS A 113 -6.412 0.058 -4.088 1.00 0.15 H ATOM 1640 N THR A 114 -5.876 -3.093 -1.928 1.00 0.15 N ATOM 1641 CA THR A 114 -6.372 -4.459 -2.062 1.00 0.17 C ATOM 1642 C THR A 114 -7.886 -4.542 -1.882 1.00 0.16 C ATOM 1643 O THR A 114 -8.444 -5.637 -1.759 1.00 0.21 O ATOM 1644 CB THR A 114 -5.684 -5.417 -1.067 1.00 0.21 C ATOM 1645 OG1 THR A 114 -5.861 -4.950 0.278 1.00 0.22 O ATOM 1646 CG2 THR A 114 -4.197 -5.539 -1.376 1.00 0.24 C ATOM 1647 H THR A 114 -5.648 -2.744 -1.035 1.00 0.17 H ATOM 1648 HA THR A 114 -6.132 -4.792 -3.063 1.00 0.21 H ATOM 1649 HB THR A 114 -6.137 -6.395 -1.164 1.00 0.24 H ATOM 1650 HG1 THR A 114 -6.153 -5.689 0.835 1.00 0.25 H ATOM 1651 HG21 THR A 114 -3.742 -4.561 -1.347 1.00 0.97 H ATOM 1652 HG22 THR A 114 -4.066 -5.968 -2.360 1.00 0.95 H ATOM 1653 HG23 THR A 114 -3.726 -6.177 -0.642 1.00 1.10 H ATOM 1654 N PHE A 115 -8.549 -3.393 -1.873 1.00 0.14 N ATOM 1655 CA PHE A 115 -10.004 -3.355 -1.805 1.00 0.17 C ATOM 1656 C PHE A 115 -10.575 -3.990 -3.077 1.00 0.22 C ATOM 1657 O PHE A 115 -10.049 -3.765 -4.167 1.00 0.23 O ATOM 1658 CB PHE A 115 -10.487 -1.903 -1.654 1.00 0.15 C ATOM 1659 CG PHE A 115 -11.952 -1.768 -1.336 1.00 0.17 C ATOM 1660 CD1 PHE A 115 -12.890 -1.713 -2.353 1.00 0.23 C ATOM 1661 CD2 PHE A 115 -12.393 -1.699 -0.023 1.00 0.17 C ATOM 1662 CE1 PHE A 115 -14.236 -1.591 -2.070 1.00 0.26 C ATOM 1663 CE2 PHE A 115 -13.739 -1.577 0.265 1.00 0.20 C ATOM 1664 CZ PHE A 115 -14.655 -1.512 -0.736 1.00 0.24 C ATOM 1665 H PHE A 115 -8.048 -2.550 -1.919 1.00 0.14 H ATOM 1666 HA PHE A 115 -10.315 -3.931 -0.946 1.00 0.19 H ATOM 1667 HB2 PHE A 115 -9.934 -1.432 -0.855 1.00 0.14 H ATOM 1668 HB3 PHE A 115 -10.296 -1.371 -2.575 1.00 0.14 H ATOM 1669 HD1 PHE A 115 -12.560 -1.764 -3.378 1.00 0.26 H ATOM 1670 HD2 PHE A 115 -11.673 -1.739 0.780 1.00 0.17 H ATOM 1671 HE1 PHE A 115 -14.956 -1.550 -2.875 1.00 0.32 H ATOM 1672 HE2 PHE A 115 -14.068 -1.524 1.293 1.00 0.22 H ATOM 1673 HZ PHE A 115 -15.705 -1.414 -0.502 1.00 0.27 H ATOM 1674 N PRO A 116 -11.624 -4.827 -2.956 1.00 0.30 N ATOM 1675 CA PRO A 116 -12.222 -5.514 -4.110 1.00 0.37 C ATOM 1676 C PRO A 116 -12.646 -4.548 -5.208 1.00 0.31 C ATOM 1677 O PRO A 116 -13.495 -3.685 -4.993 1.00 0.30 O ATOM 1678 CB PRO A 116 -13.453 -6.211 -3.524 1.00 0.46 C ATOM 1679 CG PRO A 116 -13.159 -6.354 -2.074 1.00 0.49 C ATOM 1680 CD PRO A 116 -12.307 -5.172 -1.698 1.00 0.37 C ATOM 1681 HA PRO A 116 -11.548 -6.252 -4.520 1.00 0.43 H ATOM 1682 HB2 PRO A 116 -14.330 -5.600 -3.693 1.00 0.46 H ATOM 1683 HB3 PRO A 116 -13.584 -7.175 -3.997 1.00 0.54 H ATOM 1684 HG2 PRO A 116 -14.080 -6.346 -1.511 1.00 0.55 H ATOM 1685 HG3 PRO A 116 -12.621 -7.274 -1.900 1.00 0.54 H ATOM 1686 HD2 PRO A 116 -12.926 -4.351 -1.357 1.00 0.37 H ATOM 1687 HD3 PRO A 116 -11.594 -5.451 -0.936 1.00 0.37 H ATOM 1688 N GLY A 117 -12.046 -4.696 -6.381 1.00 0.34 N ATOM 1689 CA GLY A 117 -12.375 -3.831 -7.499 1.00 0.33 C ATOM 1690 C GLY A 117 -11.524 -2.576 -7.531 1.00 0.33 C ATOM 1691 O GLY A 117 -11.745 -1.688 -8.357 1.00 0.50 O ATOM 1692 H GLY A 117 -11.378 -5.406 -6.491 1.00 0.39 H ATOM 1693 HA2 GLY A 117 -12.228 -4.378 -8.421 1.00 0.39 H ATOM 1694 HA3 GLY A 117 -13.416 -3.546 -7.425 1.00 0.32 H ATOM 1695 N HIS A 118 -10.554 -2.500 -6.629 1.00 0.24 N ATOM 1696 CA HIS A 118 -9.665 -1.343 -6.550 1.00 0.23 C ATOM 1697 C HIS A 118 -8.246 -1.680 -7.013 1.00 0.29 C ATOM 1698 O HIS A 118 -7.479 -0.790 -7.384 1.00 0.38 O ATOM 1699 CB HIS A 118 -9.617 -0.807 -5.114 1.00 0.20 C ATOM 1700 CG HIS A 118 -10.788 0.054 -4.734 1.00 0.16 C ATOM 1701 ND1 HIS A 118 -10.671 1.034 -3.776 1.00 0.18 N ATOM 1702 CD2 HIS A 118 -12.063 0.041 -5.198 1.00 0.19 C ATOM 1703 CE1 HIS A 118 -11.865 1.587 -3.676 1.00 0.20 C ATOM 1704 NE2 HIS A 118 -12.745 1.019 -4.518 1.00 0.18 N ATOM 1705 H HIS A 118 -10.450 -3.226 -5.977 1.00 0.30 H ATOM 1706 HA HIS A 118 -10.067 -0.576 -7.194 1.00 0.25 H ATOM 1707 HB2 HIS A 118 -9.587 -1.641 -4.429 1.00 0.23 H ATOM 1708 HB3 HIS A 118 -8.720 -0.219 -4.991 1.00 0.21 H ATOM 1709 HD2 HIS A 118 -12.463 -0.600 -5.968 1.00 0.25 H ATOM 1710 HE1 HIS A 118 -12.105 2.390 -2.996 1.00 0.27 H ATOM 1711 HE2 HIS A 118 -13.722 1.100 -4.466 1.00 0.30 H ATOM 1712 N GLY A 119 -7.915 -2.964 -7.023 1.00 0.33 N ATOM 1713 CA GLY A 119 -6.540 -3.384 -7.244 1.00 0.42 C ATOM 1714 C GLY A 119 -6.025 -3.131 -8.650 1.00 0.49 C ATOM 1715 O GLY A 119 -4.822 -2.956 -8.845 1.00 0.61 O ATOM 1716 H GLY A 119 -8.608 -3.638 -6.880 1.00 0.39 H ATOM 1717 HA2 GLY A 119 -5.904 -2.852 -6.550 1.00 0.45 H ATOM 1718 HA3 GLY A 119 -6.467 -4.443 -7.035 1.00 0.48 H ATOM 1719 N ALA A 120 -6.916 -3.110 -9.630 1.00 0.53 N ATOM 1720 CA ALA A 120 -6.501 -2.966 -11.021 1.00 0.67 C ATOM 1721 C ALA A 120 -6.195 -1.514 -11.368 1.00 0.64 C ATOM 1722 O ALA A 120 -5.351 -1.235 -12.221 1.00 0.75 O ATOM 1723 CB ALA A 120 -7.564 -3.523 -11.952 1.00 0.83 C ATOM 1724 H ALA A 120 -7.869 -3.192 -9.418 1.00 0.54 H ATOM 1725 HA ALA A 120 -5.603 -3.550 -11.156 1.00 0.76 H ATOM 1726 HB1 ALA A 120 -7.199 -3.505 -12.967 1.00 1.58 H ATOM 1727 HB2 ALA A 120 -8.457 -2.919 -11.882 1.00 1.06 H ATOM 1728 HB3 ALA A 120 -7.794 -4.540 -11.671 1.00 1.27 H ATOM 1729 N LEU A 121 -6.869 -0.590 -10.703 1.00 0.56 N ATOM 1730 CA LEU A 121 -6.673 0.827 -10.967 1.00 0.64 C ATOM 1731 C LEU A 121 -5.683 1.433 -9.977 1.00 0.51 C ATOM 1732 O LEU A 121 -4.846 2.257 -10.343 1.00 0.69 O ATOM 1733 CB LEU A 121 -8.011 1.575 -10.896 1.00 0.82 C ATOM 1734 CG LEU A 121 -7.943 3.069 -11.217 1.00 1.38 C ATOM 1735 CD1 LEU A 121 -7.567 3.292 -12.675 1.00 2.13 C ATOM 1736 CD2 LEU A 121 -9.268 3.742 -10.894 1.00 1.76 C ATOM 1737 H LEU A 121 -7.522 -0.869 -10.024 1.00 0.53 H ATOM 1738 HA LEU A 121 -6.268 0.923 -11.963 1.00 0.76 H ATOM 1739 HB2 LEU A 121 -8.695 1.110 -11.595 1.00 1.30 H ATOM 1740 HB3 LEU A 121 -8.410 1.463 -9.898 1.00 1.22 H ATOM 1741 HG LEU A 121 -7.178 3.527 -10.604 1.00 2.05 H ATOM 1742 HD11 LEU A 121 -6.586 2.882 -12.861 1.00 2.59 H ATOM 1743 HD12 LEU A 121 -7.560 4.351 -12.887 1.00 2.48 H ATOM 1744 HD13 LEU A 121 -8.289 2.802 -13.311 1.00 2.62 H ATOM 1745 HD21 LEU A 121 -9.201 4.796 -11.119 1.00 2.22 H ATOM 1746 HD22 LEU A 121 -9.492 3.611 -9.846 1.00 2.39 H ATOM 1747 HD23 LEU A 121 -10.052 3.297 -11.489 1.00 1.93 H ATOM 1748 N MET A 122 -5.773 1.011 -8.726 1.00 0.34 N ATOM 1749 CA MET A 122 -4.935 1.562 -7.671 1.00 0.22 C ATOM 1750 C MET A 122 -3.732 0.673 -7.401 1.00 0.17 C ATOM 1751 O MET A 122 -3.749 -0.155 -6.492 1.00 0.21 O ATOM 1752 CB MET A 122 -5.747 1.744 -6.390 1.00 0.27 C ATOM 1753 CG MET A 122 -6.525 3.044 -6.339 1.00 0.65 C ATOM 1754 SD MET A 122 -8.056 2.883 -5.408 1.00 0.24 S ATOM 1755 CE MET A 122 -9.055 2.035 -6.622 1.00 0.54 C ATOM 1756 H MET A 122 -6.415 0.300 -8.503 1.00 0.45 H ATOM 1757 HA MET A 122 -4.582 2.528 -8.003 1.00 0.27 H ATOM 1758 HB2 MET A 122 -6.448 0.928 -6.301 1.00 0.60 H ATOM 1759 HB3 MET A 122 -5.073 1.720 -5.547 1.00 0.65 H ATOM 1760 HG2 MET A 122 -5.912 3.799 -5.868 1.00 1.15 H ATOM 1761 HG3 MET A 122 -6.763 3.350 -7.347 1.00 1.15 H ATOM 1762 HE1 MET A 122 -8.678 1.033 -6.760 1.00 1.27 H ATOM 1763 HE2 MET A 122 -9.009 2.566 -7.560 1.00 1.17 H ATOM 1764 HE3 MET A 122 -10.079 1.990 -6.280 1.00 1.16 H ATOM 1765 N ASN A 123 -2.695 0.853 -8.201 1.00 0.20 N ATOM 1766 CA ASN A 123 -1.443 0.131 -8.021 1.00 0.25 C ATOM 1767 C ASN A 123 -0.287 0.949 -8.573 1.00 0.22 C ATOM 1768 O ASN A 123 -0.486 1.836 -9.404 1.00 0.34 O ATOM 1769 CB ASN A 123 -1.483 -1.242 -8.708 1.00 0.44 C ATOM 1770 CG ASN A 123 -1.822 -1.152 -10.182 1.00 0.54 C ATOM 1771 OD1 ASN A 123 -0.945 -0.953 -11.025 1.00 1.13 O ATOM 1772 ND2 ASN A 123 -3.091 -1.326 -10.503 1.00 0.58 N ATOM 1773 H ASN A 123 -2.769 1.495 -8.939 1.00 0.24 H ATOM 1774 HA ASN A 123 -1.294 -0.007 -6.960 1.00 0.29 H ATOM 1775 HB2 ASN A 123 -0.515 -1.714 -8.614 1.00 0.96 H ATOM 1776 HB3 ASN A 123 -2.229 -1.859 -8.223 1.00 0.72 H ATOM 1777 HD21 ASN A 123 -3.734 -1.506 -9.781 1.00 0.71 H ATOM 1778 HD22 ASN A 123 -3.342 -1.273 -11.452 1.00 0.90 H ATOM 1779 N GLY A 124 0.911 0.657 -8.101 1.00 0.19 N ATOM 1780 CA GLY A 124 2.086 1.346 -8.584 1.00 0.21 C ATOM 1781 C GLY A 124 3.368 0.651 -8.177 1.00 0.23 C ATOM 1782 O GLY A 124 3.342 -0.458 -7.634 1.00 0.31 O ATOM 1783 H GLY A 124 1.001 -0.034 -7.403 1.00 0.25 H ATOM 1784 HA2 GLY A 124 2.042 1.395 -9.664 1.00 0.27 H ATOM 1785 HA3 GLY A 124 2.091 2.352 -8.187 1.00 0.24 H ATOM 1786 N LYS A 125 4.489 1.314 -8.415 1.00 0.24 N ATOM 1787 CA LYS A 125 5.796 0.729 -8.175 1.00 0.28 C ATOM 1788 C LYS A 125 6.475 1.357 -6.963 1.00 0.25 C ATOM 1789 O LYS A 125 6.521 2.579 -6.822 1.00 0.26 O ATOM 1790 CB LYS A 125 6.680 0.906 -9.416 1.00 0.40 C ATOM 1791 CG LYS A 125 8.138 0.505 -9.214 1.00 1.21 C ATOM 1792 CD LYS A 125 8.277 -0.942 -8.763 1.00 1.31 C ATOM 1793 CE LYS A 125 7.761 -1.908 -9.811 1.00 1.41 C ATOM 1794 NZ LYS A 125 7.757 -3.304 -9.313 1.00 1.48 N1+ ATOM 1795 H LYS A 125 4.434 2.236 -8.752 1.00 0.28 H ATOM 1796 HA LYS A 125 5.660 -0.325 -7.991 1.00 0.30 H ATOM 1797 HB2 LYS A 125 6.275 0.309 -10.218 1.00 0.96 H ATOM 1798 HB3 LYS A 125 6.656 1.945 -9.710 1.00 0.95 H ATOM 1799 HG2 LYS A 125 8.666 0.631 -10.146 1.00 1.88 H ATOM 1800 HG3 LYS A 125 8.575 1.148 -8.463 1.00 1.80 H ATOM 1801 HD2 LYS A 125 9.320 -1.152 -8.579 1.00 1.50 H ATOM 1802 HD3 LYS A 125 7.715 -1.079 -7.851 1.00 1.88 H ATOM 1803 HE2 LYS A 125 6.757 -1.628 -10.076 1.00 2.05 H ATOM 1804 HE3 LYS A 125 8.394 -1.848 -10.683 1.00 1.76 H ATOM 1805 HZ1 LYS A 125 8.734 -3.617 -9.108 1.00 1.75 H ATOM 1806 HZ2 LYS A 125 7.352 -3.939 -10.028 1.00 1.94 H ATOM 1807 HZ3 LYS A 125 7.196 -3.375 -8.439 1.00 1.89 H ATOM 1808 N VAL A 126 6.991 0.512 -6.088 1.00 0.25 N ATOM 1809 CA VAL A 126 7.851 0.963 -5.015 1.00 0.25 C ATOM 1810 C VAL A 126 9.302 0.677 -5.402 1.00 0.30 C ATOM 1811 O VAL A 126 9.679 -0.468 -5.661 1.00 0.45 O ATOM 1812 CB VAL A 126 7.485 0.307 -3.661 1.00 0.42 C ATOM 1813 CG1 VAL A 126 7.491 -1.211 -3.753 1.00 1.10 C ATOM 1814 CG2 VAL A 126 8.419 0.782 -2.562 1.00 1.11 C ATOM 1815 H VAL A 126 6.798 -0.444 -6.174 1.00 0.28 H ATOM 1816 HA VAL A 126 7.724 2.034 -4.921 1.00 0.29 H ATOM 1817 HB VAL A 126 6.483 0.617 -3.403 1.00 1.25 H ATOM 1818 HG11 VAL A 126 8.456 -1.546 -4.104 1.00 1.77 H ATOM 1819 HG12 VAL A 126 6.724 -1.533 -4.441 1.00 1.60 H ATOM 1820 HG13 VAL A 126 7.300 -1.631 -2.777 1.00 1.63 H ATOM 1821 HG21 VAL A 126 8.134 0.325 -1.625 1.00 1.32 H ATOM 1822 HG22 VAL A 126 8.353 1.857 -2.474 1.00 1.58 H ATOM 1823 HG23 VAL A 126 9.433 0.502 -2.806 1.00 1.75 H ATOM 1824 N THR A 127 10.095 1.729 -5.486 1.00 0.35 N ATOM 1825 CA THR A 127 11.433 1.637 -6.038 1.00 0.54 C ATOM 1826 C THR A 127 12.496 1.776 -4.950 1.00 0.45 C ATOM 1827 O THR A 127 12.366 2.599 -4.047 1.00 0.37 O ATOM 1828 CB THR A 127 11.640 2.733 -7.104 1.00 0.76 C ATOM 1829 OG1 THR A 127 10.567 2.692 -8.060 1.00 0.86 O ATOM 1830 CG2 THR A 127 12.967 2.554 -7.827 1.00 0.97 C ATOM 1831 H THR A 127 9.772 2.600 -5.157 1.00 0.35 H ATOM 1832 HA THR A 127 11.537 0.674 -6.514 1.00 0.68 H ATOM 1833 HB THR A 127 11.639 3.695 -6.614 1.00 0.75 H ATOM 1834 HG1 THR A 127 9.980 3.454 -7.921 1.00 1.16 H ATOM 1835 HG21 THR A 127 12.978 1.598 -8.329 1.00 1.18 H ATOM 1836 HG22 THR A 127 13.775 2.594 -7.110 1.00 1.35 H ATOM 1837 HG23 THR A 127 13.091 3.343 -8.554 1.00 1.68 H ATOM 1838 N LEU A 128 13.536 0.957 -5.040 1.00 0.52 N ATOM 1839 CA LEU A 128 14.659 1.027 -4.111 1.00 0.49 C ATOM 1840 C LEU A 128 15.709 1.995 -4.636 1.00 0.50 C ATOM 1841 O LEU A 128 16.260 1.796 -5.718 1.00 0.59 O ATOM 1842 CB LEU A 128 15.298 -0.358 -3.913 1.00 0.59 C ATOM 1843 CG LEU A 128 14.633 -1.283 -2.880 1.00 0.73 C ATOM 1844 CD1 LEU A 128 14.782 -0.723 -1.473 1.00 0.78 C ATOM 1845 CD2 LEU A 128 13.164 -1.510 -3.206 1.00 1.44 C ATOM 1846 H LEU A 128 13.554 0.286 -5.755 1.00 0.63 H ATOM 1847 HA LEU A 128 14.288 1.392 -3.164 1.00 0.42 H ATOM 1848 HB2 LEU A 128 15.293 -0.868 -4.867 1.00 0.98 H ATOM 1849 HB3 LEU A 128 16.326 -0.210 -3.616 1.00 0.67 H ATOM 1850 HG LEU A 128 15.129 -2.243 -2.905 1.00 1.27 H ATOM 1851 HD11 LEU A 128 14.401 -1.439 -0.760 1.00 1.22 H ATOM 1852 HD12 LEU A 128 14.225 0.197 -1.390 1.00 1.09 H ATOM 1853 HD13 LEU A 128 15.825 -0.534 -1.268 1.00 1.52 H ATOM 1854 HD21 LEU A 128 12.646 -0.562 -3.220 1.00 1.91 H ATOM 1855 HD22 LEU A 128 12.726 -2.147 -2.454 1.00 1.83 H ATOM 1856 HD23 LEU A 128 13.078 -1.983 -4.173 1.00 2.01 H ATOM 1857 N VAL A 129 15.975 3.046 -3.880 1.00 0.46 N ATOM 1858 CA VAL A 129 16.970 4.031 -4.275 1.00 0.51 C ATOM 1859 C VAL A 129 18.059 4.136 -3.217 1.00 0.50 C ATOM 1860 O VAL A 129 17.861 3.743 -2.068 1.00 0.50 O ATOM 1861 CB VAL A 129 16.346 5.424 -4.511 1.00 0.54 C ATOM 1862 CG1 VAL A 129 15.292 5.362 -5.606 1.00 0.60 C ATOM 1863 CG2 VAL A 129 15.753 5.981 -3.227 1.00 0.50 C ATOM 1864 H VAL A 129 15.499 3.157 -3.024 1.00 0.42 H ATOM 1865 HA VAL A 129 17.417 3.698 -5.201 1.00 0.57 H ATOM 1866 HB VAL A 129 17.130 6.091 -4.839 1.00 0.60 H ATOM 1867 HG11 VAL A 129 14.868 6.345 -5.755 1.00 1.18 H ATOM 1868 HG12 VAL A 129 14.512 4.674 -5.314 1.00 1.11 H ATOM 1869 HG13 VAL A 129 15.747 5.022 -6.524 1.00 1.19 H ATOM 1870 HG21 VAL A 129 14.988 5.311 -2.863 1.00 1.04 H ATOM 1871 HG22 VAL A 129 15.320 6.952 -3.422 1.00 1.15 H ATOM 1872 HG23 VAL A 129 16.533 6.078 -2.486 1.00 1.15 H ATOM 1873 N ASP A 130 19.209 4.655 -3.611 1.00 0.55 N ATOM 1874 CA ASP A 130 20.341 4.791 -2.700 1.00 0.62 C ATOM 1875 C ASP A 130 20.467 6.230 -2.212 1.00 1.17 C ATOM 1876 O ASP A 130 19.854 7.140 -2.777 1.00 2.01 O ATOM 1877 CB ASP A 130 21.644 4.359 -3.385 1.00 0.98 C ATOM 1878 CG ASP A 130 22.062 5.295 -4.504 1.00 1.49 C ATOM 1879 OD1 ASP A 130 21.600 5.104 -5.648 1.00 2.25 O ATOM 1880 OD2 ASP A 130 22.858 6.222 -4.247 1.00 1.87 O1- ATOM 1881 H ASP A 130 19.299 4.964 -4.536 1.00 0.60 H ATOM 1882 HA ASP A 130 20.159 4.150 -1.850 1.00 0.60 H ATOM 1883 HB2 ASP A 130 22.436 4.332 -2.652 1.00 1.72 H ATOM 1884 HB3 ASP A 130 21.510 3.370 -3.800 1.00 1.39 H