ATOM 58 N CYS A 6 12.696 8.796 4.008 1.00 0.62 N ATOM 59 CA CYS A 6 12.417 7.856 5.085 1.00 0.41 C ATOM 60 C CYS A 6 10.918 7.753 5.323 1.00 0.34 C ATOM 61 O CYS A 6 10.446 6.892 6.067 1.00 0.34 O ATOM 62 CB CYS A 6 13.114 8.297 6.372 1.00 0.49 C ATOM 63 SG CYS A 6 14.921 8.496 6.217 1.00 0.59 S ATOM 64 H CYS A 6 12.553 9.755 4.163 1.00 0.76 H ATOM 65 HA CYS A 6 12.796 6.889 4.789 1.00 0.36 H ATOM 66 HB2 CYS A 6 12.707 9.248 6.681 1.00 0.62 H ATOM 67 HB3 CYS A 6 12.927 7.563 7.143 1.00 0.46 H ATOM 68 N ALA A 7 10.171 8.634 4.681 1.00 0.32 N ATOM 69 CA ALA A 7 8.731 8.671 4.831 1.00 0.27 C ATOM 70 C ALA A 7 8.089 9.270 3.593 1.00 0.25 C ATOM 71 O ALA A 7 8.717 10.043 2.868 1.00 0.31 O ATOM 72 CB ALA A 7 8.349 9.471 6.068 1.00 0.31 C ATOM 73 H ALA A 7 10.602 9.283 4.087 1.00 0.36 H ATOM 74 HA ALA A 7 8.380 7.658 4.958 1.00 0.25 H ATOM 75 HB1 ALA A 7 8.819 9.037 6.937 1.00 1.07 H ATOM 76 HB2 ALA A 7 7.277 9.452 6.190 1.00 1.06 H ATOM 77 HB3 ALA A 7 8.681 10.492 5.953 1.00 0.97 H ATOM 78 N ALA A 8 6.844 8.898 3.348 1.00 0.22 N ATOM 79 CA ALA A 8 6.098 9.419 2.219 1.00 0.22 C ATOM 80 C ALA A 8 4.623 9.514 2.564 1.00 0.19 C ATOM 81 O ALA A 8 4.084 8.657 3.268 1.00 0.20 O ATOM 82 CB ALA A 8 6.300 8.542 0.992 1.00 0.27 C ATOM 83 H ALA A 8 6.411 8.252 3.951 1.00 0.23 H ATOM 84 HA ALA A 8 6.471 10.407 1.997 1.00 0.25 H ATOM 85 HB1 ALA A 8 5.926 7.550 1.194 1.00 1.08 H ATOM 86 HB2 ALA A 8 7.353 8.490 0.758 1.00 1.00 H ATOM 87 HB3 ALA A 8 5.765 8.966 0.156 1.00 0.99 H ATOM 88 N THR A 9 3.976 10.558 2.085 1.00 0.23 N ATOM 89 CA THR A 9 2.559 10.740 2.318 1.00 0.23 C ATOM 90 C THR A 9 1.784 10.529 1.024 1.00 0.23 C ATOM 91 O THR A 9 1.943 11.278 0.061 1.00 0.29 O ATOM 92 CB THR A 9 2.259 12.142 2.874 1.00 0.29 C ATOM 93 OG1 THR A 9 3.107 12.413 4.001 1.00 0.84 O ATOM 94 CG2 THR A 9 0.802 12.254 3.298 1.00 0.70 C ATOM 95 H THR A 9 4.460 11.220 1.550 1.00 0.29 H ATOM 96 HA THR A 9 2.241 10.005 3.043 1.00 0.25 H ATOM 97 HB THR A 9 2.453 12.869 2.100 1.00 0.73 H ATOM 98 HG1 THR A 9 3.786 11.726 4.064 1.00 1.35 H ATOM 99 HG21 THR A 9 0.616 13.243 3.687 1.00 1.36 H ATOM 100 HG22 THR A 9 0.590 11.520 4.061 1.00 1.15 H ATOM 101 HG23 THR A 9 0.164 12.078 2.444 1.00 1.45 H ATOM 102 N VAL A 10 0.958 9.500 1.007 1.00 0.21 N ATOM 103 CA VAL A 10 0.168 9.179 -0.161 1.00 0.22 C ATOM 104 C VAL A 10 -1.292 9.510 0.095 1.00 0.22 C ATOM 105 O VAL A 10 -1.895 9.031 1.055 1.00 0.26 O ATOM 106 CB VAL A 10 0.297 7.691 -0.550 1.00 0.29 C ATOM 107 CG1 VAL A 10 -0.534 7.383 -1.786 1.00 0.62 C ATOM 108 CG2 VAL A 10 1.755 7.321 -0.783 1.00 0.87 C ATOM 109 H VAL A 10 0.856 8.950 1.820 1.00 0.22 H ATOM 110 HA VAL A 10 0.527 9.782 -0.983 1.00 0.23 H ATOM 111 HB VAL A 10 -0.077 7.094 0.269 1.00 0.77 H ATOM 112 HG11 VAL A 10 -1.568 7.628 -1.594 1.00 1.22 H ATOM 113 HG12 VAL A 10 -0.452 6.334 -2.025 1.00 1.35 H ATOM 114 HG13 VAL A 10 -0.174 7.971 -2.618 1.00 1.12 H ATOM 115 HG21 VAL A 10 2.147 7.904 -1.604 1.00 1.29 H ATOM 116 HG22 VAL A 10 1.825 6.271 -1.022 1.00 1.49 H ATOM 117 HG23 VAL A 10 2.327 7.527 0.110 1.00 1.54 H ATOM 118 N GLU A 11 -1.847 10.350 -0.753 1.00 0.23 N ATOM 119 CA GLU A 11 -3.239 10.739 -0.635 1.00 0.25 C ATOM 120 C GLU A 11 -4.102 9.840 -1.507 1.00 0.23 C ATOM 121 O GLU A 11 -3.683 9.427 -2.588 1.00 0.29 O ATOM 122 CB GLU A 11 -3.417 12.200 -1.051 1.00 0.29 C ATOM 123 CG GLU A 11 -2.447 13.152 -0.367 1.00 1.09 C ATOM 124 CD GLU A 11 -2.543 14.560 -0.906 1.00 1.31 C ATOM 125 OE1 GLU A 11 -2.234 14.767 -2.093 1.00 1.98 O ATOM 126 OE2 GLU A 11 -2.925 15.473 -0.141 1.00 1.14 O1- ATOM 127 H GLU A 11 -1.308 10.715 -1.479 1.00 0.27 H ATOM 128 HA GLU A 11 -3.535 10.622 0.395 1.00 0.29 H ATOM 129 HB2 GLU A 11 -3.277 12.280 -2.119 1.00 0.76 H ATOM 130 HB3 GLU A 11 -4.422 12.510 -0.807 1.00 0.80 H ATOM 131 HG2 GLU A 11 -2.669 13.175 0.690 1.00 1.71 H ATOM 132 HG3 GLU A 11 -1.439 12.793 -0.516 1.00 1.60 H ATOM 133 N SER A 12 -5.284 9.514 -1.024 1.00 0.22 N ATOM 134 CA SER A 12 -6.239 8.746 -1.799 1.00 0.21 C ATOM 135 C SER A 12 -7.606 9.419 -1.725 1.00 0.20 C ATOM 136 O SER A 12 -8.031 9.860 -0.659 1.00 0.23 O ATOM 137 CB SER A 12 -6.301 7.304 -1.280 1.00 0.29 C ATOM 138 OG SER A 12 -6.521 7.270 0.123 1.00 0.97 O ATOM 139 H SER A 12 -5.526 9.797 -0.115 1.00 0.26 H ATOM 140 HA SER A 12 -5.905 8.744 -2.826 1.00 0.21 H ATOM 141 HB2 SER A 12 -7.107 6.779 -1.769 1.00 0.62 H ATOM 142 HB3 SER A 12 -5.367 6.806 -1.495 1.00 0.49 H ATOM 143 HG SER A 12 -5.955 6.600 0.515 1.00 1.18 H ATOM 144 N ASN A 13 -8.294 9.506 -2.845 1.00 0.19 N ATOM 145 CA ASN A 13 -9.553 10.236 -2.895 1.00 0.24 C ATOM 146 C ASN A 13 -10.669 9.355 -3.442 1.00 0.24 C ATOM 147 O ASN A 13 -10.458 8.171 -3.715 1.00 0.19 O ATOM 148 CB ASN A 13 -9.399 11.512 -3.740 1.00 0.32 C ATOM 149 CG ASN A 13 -8.881 11.249 -5.147 1.00 0.34 C ATOM 150 OD1 ASN A 13 -9.076 10.171 -5.711 1.00 0.89 O ATOM 151 ND2 ASN A 13 -8.236 12.245 -5.731 1.00 1.14 N ATOM 152 H ASN A 13 -7.959 9.064 -3.657 1.00 0.19 H ATOM 153 HA ASN A 13 -9.806 10.518 -1.882 1.00 0.28 H ATOM 154 HB2 ASN A 13 -10.355 12.001 -3.819 1.00 0.38 H ATOM 155 HB3 ASN A 13 -8.705 12.177 -3.244 1.00 0.37 H ATOM 156 HD21 ASN A 13 -8.133 13.086 -5.232 1.00 1.79 H ATOM 157 HD22 ASN A 13 -7.887 12.108 -6.639 1.00 1.19 H ATOM 158 N ASP A 14 -11.854 9.931 -3.602 1.00 0.43 N ATOM 159 CA ASP A 14 -13.007 9.179 -4.085 1.00 0.51 C ATOM 160 C ASP A 14 -12.996 9.111 -5.607 1.00 0.43 C ATOM 161 O ASP A 14 -13.900 8.549 -6.223 1.00 0.48 O ATOM 162 CB ASP A 14 -14.323 9.812 -3.613 1.00 0.81 C ATOM 163 CG ASP A 14 -14.428 9.950 -2.103 1.00 1.53 C ATOM 164 OD1 ASP A 14 -13.998 9.031 -1.379 1.00 2.26 O1- ATOM 165 OD2 ASP A 14 -14.942 10.995 -1.637 1.00 1.86 O ATOM 166 H ASP A 14 -11.959 10.885 -3.394 1.00 0.55 H ATOM 167 HA ASP A 14 -12.937 8.176 -3.691 1.00 0.53 H ATOM 168 HB2 ASP A 14 -14.410 10.796 -4.046 1.00 1.03 H ATOM 169 HB3 ASP A 14 -15.146 9.204 -3.958 1.00 1.40 H ATOM 170 N ASN A 15 -11.960 9.680 -6.211 1.00 0.45 N ATOM 171 CA ASN A 15 -11.823 9.688 -7.663 1.00 0.48 C ATOM 172 C ASN A 15 -11.096 8.439 -8.132 1.00 0.41 C ATOM 173 O ASN A 15 -10.782 8.298 -9.314 1.00 0.47 O ATOM 174 CB ASN A 15 -11.069 10.933 -8.141 1.00 0.60 C ATOM 175 CG ASN A 15 -11.844 12.217 -7.912 1.00 0.93 C ATOM 176 OD1 ASN A 15 -13.073 12.233 -7.968 1.00 1.59 O ATOM 177 ND2 ASN A 15 -11.132 13.301 -7.654 1.00 1.58 N ATOM 178 H ASN A 15 -11.264 10.102 -5.664 1.00 0.49 H ATOM 179 HA ASN A 15 -12.816 9.692 -8.088 1.00 0.54 H ATOM 180 HB2 ASN A 15 -10.133 11.000 -7.609 1.00 0.96 H ATOM 181 HB3 ASN A 15 -10.869 10.839 -9.200 1.00 0.87 H ATOM 182 HD21 ASN A 15 -10.152 13.221 -7.625 1.00 2.09 H ATOM 183 HD22 ASN A 15 -11.610 14.144 -7.494 1.00 1.90 H ATOM 184 N MET A 16 -10.822 7.546 -7.178 1.00 0.36 N ATOM 185 CA MET A 16 -10.220 6.245 -7.460 1.00 0.39 C ATOM 186 C MET A 16 -8.787 6.393 -7.964 1.00 0.38 C ATOM 187 O MET A 16 -8.433 5.881 -9.028 1.00 0.54 O ATOM 188 CB MET A 16 -11.072 5.475 -8.481 1.00 0.50 C ATOM 189 CG MET A 16 -12.482 5.172 -7.996 1.00 0.58 C ATOM 190 SD MET A 16 -13.547 4.529 -9.303 1.00 1.03 S ATOM 191 CE MET A 16 -12.631 3.073 -9.804 1.00 1.92 C ATOM 192 H MET A 16 -11.031 7.775 -6.249 1.00 0.36 H ATOM 193 HA MET A 16 -10.200 5.689 -6.533 1.00 0.41 H ATOM 194 HB2 MET A 16 -11.144 6.060 -9.384 1.00 0.52 H ATOM 195 HB3 MET A 16 -10.583 4.538 -8.708 1.00 0.56 H ATOM 196 HG2 MET A 16 -12.427 4.439 -7.204 1.00 0.90 H ATOM 197 HG3 MET A 16 -12.918 6.083 -7.611 1.00 0.68 H ATOM 198 HE1 MET A 16 -13.177 2.552 -10.576 1.00 2.20 H ATOM 199 HE2 MET A 16 -12.498 2.421 -8.953 1.00 2.53 H ATOM 200 HE3 MET A 16 -11.664 3.369 -10.184 1.00 2.46 H ATOM 201 N GLN A 17 -7.961 7.086 -7.189 1.00 0.28 N ATOM 202 CA GLN A 17 -6.572 7.314 -7.568 1.00 0.33 C ATOM 203 C GLN A 17 -5.726 7.630 -6.337 1.00 0.28 C ATOM 204 O GLN A 17 -6.257 7.821 -5.240 1.00 0.40 O ATOM 205 CB GLN A 17 -6.476 8.465 -8.575 1.00 0.44 C ATOM 206 CG GLN A 17 -6.634 9.845 -7.961 1.00 0.77 C ATOM 207 CD GLN A 17 -6.404 10.951 -8.970 1.00 1.21 C ATOM 208 OE1 GLN A 17 -6.682 10.790 -10.160 1.00 1.78 O ATOM 209 NE2 GLN A 17 -5.875 12.073 -8.511 1.00 1.86 N ATOM 210 H GLN A 17 -8.288 7.447 -6.340 1.00 0.28 H ATOM 211 HA GLN A 17 -6.199 6.409 -8.025 1.00 0.41 H ATOM 212 HB2 GLN A 17 -5.516 8.424 -9.065 1.00 0.71 H ATOM 213 HB3 GLN A 17 -7.251 8.341 -9.316 1.00 0.83 H ATOM 214 HG2 GLN A 17 -7.635 9.938 -7.567 1.00 1.13 H ATOM 215 HG3 GLN A 17 -5.919 9.952 -7.158 1.00 0.81 H ATOM 216 HE21 GLN A 17 -5.661 12.129 -7.552 1.00 2.31 H ATOM 217 HE22 GLN A 17 -5.712 12.800 -9.145 1.00 2.23 H ATOM 218 N PHE A 18 -4.411 7.681 -6.530 1.00 0.30 N ATOM 219 CA PHE A 18 -3.489 8.016 -5.454 1.00 0.27 C ATOM 220 C PHE A 18 -2.770 9.329 -5.740 1.00 0.33 C ATOM 221 O PHE A 18 -2.894 9.899 -6.824 1.00 0.44 O ATOM 222 CB PHE A 18 -2.438 6.917 -5.252 1.00 0.29 C ATOM 223 CG PHE A 18 -2.964 5.631 -4.681 1.00 0.25 C ATOM 224 CD1 PHE A 18 -3.504 5.594 -3.405 1.00 0.24 C ATOM 225 CD2 PHE A 18 -2.892 4.451 -5.409 1.00 0.27 C ATOM 226 CE1 PHE A 18 -3.966 4.411 -2.868 1.00 0.25 C ATOM 227 CE2 PHE A 18 -3.347 3.264 -4.873 1.00 0.26 C ATOM 228 CZ PHE A 18 -3.885 3.243 -3.601 1.00 0.28 C ATOM 229 H PHE A 18 -4.053 7.496 -7.424 1.00 0.45 H ATOM 230 HA PHE A 18 -4.063 8.125 -4.548 1.00 0.26 H ATOM 231 HB2 PHE A 18 -1.982 6.689 -6.203 1.00 0.34 H ATOM 232 HB3 PHE A 18 -1.675 7.288 -4.579 1.00 0.34 H ATOM 233 HD1 PHE A 18 -3.571 6.508 -2.831 1.00 0.27 H ATOM 234 HD2 PHE A 18 -2.474 4.467 -6.404 1.00 0.31 H ATOM 235 HE1 PHE A 18 -4.384 4.396 -1.871 1.00 0.28 H ATOM 236 HE2 PHE A 18 -3.286 2.351 -5.450 1.00 0.30 H ATOM 237 HZ PHE A 18 -4.237 2.316 -3.180 1.00 0.31 H ATOM 238 N ASN A 19 -2.018 9.797 -4.755 1.00 0.35 N ATOM 239 CA ASN A 19 -1.157 10.967 -4.916 1.00 0.49 C ATOM 240 C ASN A 19 -0.028 10.669 -5.896 1.00 0.36 C ATOM 241 O ASN A 19 0.408 11.539 -6.649 1.00 0.45 O ATOM 242 CB ASN A 19 -0.568 11.374 -3.561 1.00 0.71 C ATOM 243 CG ASN A 19 0.432 12.512 -3.661 1.00 1.33 C ATOM 244 OD1 ASN A 19 1.625 12.287 -3.860 1.00 2.31 O ATOM 245 ND2 ASN A 19 -0.041 13.735 -3.499 1.00 1.42 N ATOM 246 H ASN A 19 -2.064 9.357 -3.880 1.00 0.34 H ATOM 247 HA ASN A 19 -1.756 11.777 -5.302 1.00 0.65 H ATOM 248 HB2 ASN A 19 -1.369 11.684 -2.908 1.00 1.29 H ATOM 249 HB3 ASN A 19 -0.065 10.520 -3.126 1.00 1.43 H ATOM 250 HD21 ASN A 19 -1.003 13.850 -3.325 1.00 1.07 H ATOM 251 HD22 ASN A 19 0.591 14.481 -3.548 1.00 2.20 H ATOM 252 N THR A 20 0.430 9.429 -5.890 1.00 0.36 N ATOM 253 CA THR A 20 1.552 9.028 -6.713 1.00 0.33 C ATOM 254 C THR A 20 1.393 7.576 -7.146 1.00 0.24 C ATOM 255 O THR A 20 0.637 6.818 -6.536 1.00 0.32 O ATOM 256 CB THR A 20 2.885 9.205 -5.948 1.00 0.53 C ATOM 257 OG1 THR A 20 3.990 8.851 -6.786 1.00 1.12 O ATOM 258 CG2 THR A 20 2.908 8.356 -4.683 1.00 0.44 C ATOM 259 H THR A 20 -0.008 8.758 -5.328 1.00 0.46 H ATOM 260 HA THR A 20 1.571 9.659 -7.589 1.00 0.42 H ATOM 261 HB THR A 20 2.979 10.243 -5.663 1.00 0.94 H ATOM 262 HG1 THR A 20 4.742 8.595 -6.236 1.00 1.27 H ATOM 263 HG21 THR A 20 2.795 7.315 -4.948 1.00 1.10 H ATOM 264 HG22 THR A 20 2.096 8.652 -4.036 1.00 1.10 H ATOM 265 HG23 THR A 20 3.847 8.498 -4.172 1.00 1.26 H ATOM 266 N LYS A 21 2.092 7.201 -8.205 1.00 0.23 N ATOM 267 CA LYS A 21 2.066 5.832 -8.691 1.00 0.31 C ATOM 268 C LYS A 21 3.473 5.238 -8.611 1.00 0.23 C ATOM 269 O LYS A 21 3.738 4.132 -9.092 1.00 0.28 O ATOM 270 CB LYS A 21 1.519 5.793 -10.123 1.00 0.50 C ATOM 271 CG LYS A 21 1.126 4.399 -10.596 1.00 0.91 C ATOM 272 CD LYS A 21 0.516 4.426 -11.989 1.00 0.85 C ATOM 273 CE LYS A 21 -0.833 5.130 -12.003 1.00 1.30 C ATOM 274 NZ LYS A 21 -1.423 5.172 -13.366 1.00 2.18 N1+ ATOM 275 H LYS A 21 2.646 7.865 -8.673 1.00 0.29 H ATOM 276 HA LYS A 21 1.411 5.264 -8.047 1.00 0.42 H ATOM 277 HB2 LYS A 21 0.646 6.428 -10.176 1.00 0.91 H ATOM 278 HB3 LYS A 21 2.274 6.180 -10.794 1.00 1.08 H ATOM 279 HG2 LYS A 21 2.006 3.774 -10.612 1.00 1.70 H ATOM 280 HG3 LYS A 21 0.406 3.987 -9.903 1.00 1.59 H ATOM 281 HD2 LYS A 21 1.186 4.947 -12.654 1.00 1.30 H ATOM 282 HD3 LYS A 21 0.384 3.410 -12.332 1.00 1.60 H ATOM 283 HE2 LYS A 21 -1.508 4.603 -11.346 1.00 1.82 H ATOM 284 HE3 LYS A 21 -0.701 6.141 -11.647 1.00 1.73 H ATOM 285 HZ1 LYS A 21 -1.518 4.209 -13.748 1.00 2.52 H ATOM 286 HZ2 LYS A 21 -0.815 5.724 -14.004 1.00 2.85 H ATOM 287 HZ3 LYS A 21 -2.364 5.613 -13.336 1.00 2.48 H ATOM 288 N ASP A 22 4.371 5.993 -7.984 1.00 0.20 N ATOM 289 CA ASP A 22 5.744 5.552 -7.750 1.00 0.22 C ATOM 290 C ASP A 22 6.183 5.940 -6.346 1.00 0.20 C ATOM 291 O ASP A 22 5.920 7.054 -5.896 1.00 0.24 O ATOM 292 CB ASP A 22 6.714 6.171 -8.766 1.00 0.34 C ATOM 293 CG ASP A 22 6.657 5.513 -10.128 1.00 1.26 C ATOM 294 OD1 ASP A 22 7.346 4.490 -10.327 1.00 1.86 O1- ATOM 295 OD2 ASP A 22 5.944 6.030 -11.015 1.00 2.06 O ATOM 296 H ASP A 22 4.097 6.878 -7.658 1.00 0.23 H ATOM 297 HA ASP A 22 5.770 4.476 -7.843 1.00 0.26 H ATOM 298 HB2 ASP A 22 6.474 7.216 -8.888 1.00 1.18 H ATOM 299 HB3 ASP A 22 7.723 6.082 -8.386 1.00 1.05 H ATOM 300 N ILE A 23 6.833 5.021 -5.652 1.00 0.19 N ATOM 301 CA ILE A 23 7.378 5.298 -4.331 1.00 0.21 C ATOM 302 C ILE A 23 8.840 4.877 -4.270 1.00 0.27 C ATOM 303 O ILE A 23 9.196 3.764 -4.656 1.00 0.32 O ATOM 304 CB ILE A 23 6.574 4.584 -3.215 1.00 0.21 C ATOM 305 CG1 ILE A 23 5.176 5.205 -3.090 1.00 0.22 C ATOM 306 CG2 ILE A 23 7.310 4.660 -1.882 1.00 0.26 C ATOM 307 CD1 ILE A 23 4.283 4.505 -2.089 1.00 0.23 C ATOM 308 H ILE A 23 6.949 4.121 -6.037 1.00 0.21 H ATOM 309 HA ILE A 23 7.318 6.364 -4.165 1.00 0.23 H ATOM 310 HB ILE A 23 6.477 3.543 -3.485 1.00 0.24 H ATOM 311 HG12 ILE A 23 5.276 6.235 -2.775 1.00 0.25 H ATOM 312 HG13 ILE A 23 4.687 5.176 -4.053 1.00 0.26 H ATOM 313 HG21 ILE A 23 8.301 4.246 -1.996 1.00 0.96 H ATOM 314 HG22 ILE A 23 6.768 4.094 -1.139 1.00 1.01 H ATOM 315 HG23 ILE A 23 7.385 5.691 -1.569 1.00 0.90 H ATOM 316 HD11 ILE A 23 3.304 4.962 -2.097 1.00 1.03 H ATOM 317 HD12 ILE A 23 4.711 4.594 -1.102 1.00 1.11 H ATOM 318 HD13 ILE A 23 4.195 3.462 -2.351 1.00 0.97 H ATOM 319 N GLN A 24 9.685 5.778 -3.798 1.00 0.34 N ATOM 320 CA GLN A 24 11.115 5.523 -3.725 1.00 0.41 C ATOM 321 C GLN A 24 11.553 5.311 -2.286 1.00 0.35 C ATOM 322 O GLN A 24 11.495 6.227 -1.467 1.00 0.39 O ATOM 323 CB GLN A 24 11.889 6.682 -4.345 1.00 0.57 C ATOM 324 CG GLN A 24 11.677 6.815 -5.844 1.00 0.67 C ATOM 325 CD GLN A 24 12.244 8.104 -6.403 1.00 0.86 C ATOM 326 OE1 GLN A 24 11.747 8.632 -7.397 1.00 1.32 O ATOM 327 NE2 GLN A 24 13.276 8.629 -5.762 1.00 1.46 N ATOM 328 H GLN A 24 9.335 6.637 -3.476 1.00 0.35 H ATOM 329 HA GLN A 24 11.320 4.624 -4.287 1.00 0.44 H ATOM 330 HB2 GLN A 24 11.578 7.604 -3.873 1.00 0.59 H ATOM 331 HB3 GLN A 24 12.944 6.531 -4.164 1.00 0.63 H ATOM 332 HG2 GLN A 24 12.162 5.985 -6.337 1.00 0.70 H ATOM 333 HG3 GLN A 24 10.617 6.785 -6.049 1.00 0.63 H ATOM 334 HE21 GLN A 24 13.613 8.167 -4.969 1.00 2.04 H ATOM 335 HE22 GLN A 24 13.659 9.462 -6.110 1.00 1.58 H ATOM 336 N VAL A 25 11.993 4.102 -1.984 1.00 0.31 N ATOM 337 CA VAL A 25 12.432 3.767 -0.639 1.00 0.25 C ATOM 338 C VAL A 25 13.948 3.831 -0.548 1.00 0.26 C ATOM 339 O VAL A 25 14.653 3.103 -1.246 1.00 0.30 O ATOM 340 CB VAL A 25 11.950 2.363 -0.216 1.00 0.23 C ATOM 341 CG1 VAL A 25 12.428 2.028 1.188 1.00 0.22 C ATOM 342 CG2 VAL A 25 10.436 2.274 -0.296 1.00 0.23 C ATOM 343 H VAL A 25 12.038 3.417 -2.692 1.00 0.34 H ATOM 344 HA VAL A 25 12.010 4.493 0.040 1.00 0.25 H ATOM 345 HB VAL A 25 12.369 1.639 -0.899 1.00 0.28 H ATOM 346 HG11 VAL A 25 13.507 2.076 1.223 1.00 0.89 H ATOM 347 HG12 VAL A 25 12.103 1.032 1.452 1.00 0.90 H ATOM 348 HG13 VAL A 25 12.015 2.739 1.888 1.00 0.85 H ATOM 349 HG21 VAL A 25 10.117 2.484 -1.306 1.00 1.01 H ATOM 350 HG22 VAL A 25 9.998 2.994 0.378 1.00 1.10 H ATOM 351 HG23 VAL A 25 10.117 1.280 -0.017 1.00 0.92 H ATOM 352 N SER A 26 14.444 4.712 0.300 1.00 0.27 N ATOM 353 CA SER A 26 15.875 4.881 0.473 1.00 0.29 C ATOM 354 C SER A 26 16.434 3.805 1.401 1.00 0.26 C ATOM 355 O SER A 26 16.004 3.668 2.546 1.00 0.25 O ATOM 356 CB SER A 26 16.159 6.280 1.015 1.00 0.36 C ATOM 357 OG SER A 26 15.579 7.266 0.171 1.00 1.16 O ATOM 358 H SER A 26 13.830 5.262 0.833 1.00 0.28 H ATOM 359 HA SER A 26 16.339 4.777 -0.498 1.00 0.34 H ATOM 360 HB2 SER A 26 15.735 6.375 2.004 1.00 0.74 H ATOM 361 HB3 SER A 26 17.226 6.444 1.060 1.00 0.99 H ATOM 362 HG SER A 26 15.009 6.833 -0.474 1.00 1.73 H ATOM 363 N LYS A 27 17.394 3.042 0.886 1.00 0.32 N ATOM 364 CA LYS A 27 17.963 1.905 1.611 1.00 0.36 C ATOM 365 C LYS A 27 18.692 2.331 2.883 1.00 0.42 C ATOM 366 O LYS A 27 18.821 1.547 3.822 1.00 0.54 O ATOM 367 CB LYS A 27 18.925 1.131 0.709 1.00 0.45 C ATOM 368 CG LYS A 27 20.107 1.956 0.225 1.00 0.82 C ATOM 369 CD LYS A 27 21.131 1.102 -0.503 1.00 0.86 C ATOM 370 CE LYS A 27 20.529 0.415 -1.717 1.00 0.98 C ATOM 371 NZ LYS A 27 21.548 -0.347 -2.481 1.00 0.97 N1+ ATOM 372 H LYS A 27 17.719 3.238 -0.020 1.00 0.37 H ATOM 373 HA LYS A 27 17.148 1.254 1.887 1.00 0.37 H ATOM 374 HB2 LYS A 27 19.305 0.279 1.252 1.00 0.72 H ATOM 375 HB3 LYS A 27 18.382 0.781 -0.156 1.00 0.76 H ATOM 376 HG2 LYS A 27 19.749 2.719 -0.448 1.00 1.17 H ATOM 377 HG3 LYS A 27 20.580 2.421 1.078 1.00 1.17 H ATOM 378 HD2 LYS A 27 21.944 1.733 -0.828 1.00 1.37 H ATOM 379 HD3 LYS A 27 21.505 0.351 0.176 1.00 1.30 H ATOM 380 HE2 LYS A 27 19.759 -0.265 -1.386 1.00 1.43 H ATOM 381 HE3 LYS A 27 20.094 1.165 -2.360 1.00 1.49 H ATOM 382 HZ1 LYS A 27 21.107 -0.803 -3.306 1.00 1.16 H ATOM 383 HZ2 LYS A 27 21.975 -1.079 -1.878 1.00 1.56 H ATOM 384 HZ3 LYS A 27 22.300 0.296 -2.812 1.00 1.38 H ATOM 385 N ALA A 28 19.155 3.575 2.911 1.00 0.44 N ATOM 386 CA ALA A 28 19.921 4.087 4.043 1.00 0.53 C ATOM 387 C ALA A 28 19.012 4.480 5.202 1.00 0.49 C ATOM 388 O ALA A 28 19.461 5.054 6.195 1.00 0.63 O ATOM 389 CB ALA A 28 20.765 5.273 3.609 1.00 0.65 C ATOM 390 H ALA A 28 18.981 4.162 2.150 1.00 0.47 H ATOM 391 HA ALA A 28 20.586 3.304 4.372 1.00 0.59 H ATOM 392 HB1 ALA A 28 21.367 5.610 4.440 1.00 1.17 H ATOM 393 HB2 ALA A 28 20.117 6.074 3.286 1.00 1.16 H ATOM 394 HB3 ALA A 28 21.408 4.980 2.794 1.00 1.15 H ATOM 395 N CYS A 29 17.735 4.175 5.070 1.00 0.37 N ATOM 396 CA CYS A 29 16.767 4.487 6.102 1.00 0.40 C ATOM 397 C CYS A 29 16.458 3.250 6.930 1.00 0.40 C ATOM 398 O CYS A 29 16.385 2.140 6.405 1.00 0.40 O ATOM 399 CB CYS A 29 15.493 5.042 5.468 1.00 0.41 C ATOM 400 SG CYS A 29 15.755 6.600 4.561 1.00 0.49 S ATOM 401 H CYS A 29 17.434 3.717 4.255 1.00 0.35 H ATOM 402 HA CYS A 29 17.199 5.238 6.743 1.00 0.48 H ATOM 403 HB2 CYS A 29 15.100 4.317 4.770 1.00 0.39 H ATOM 404 HB3 CYS A 29 14.761 5.227 6.240 1.00 0.46 H ATOM 405 N LYS A 30 16.303 3.450 8.232 1.00 0.49 N ATOM 406 CA LYS A 30 15.970 2.367 9.147 1.00 0.59 C ATOM 407 C LYS A 30 14.588 1.811 8.827 1.00 0.51 C ATOM 408 O LYS A 30 14.407 0.603 8.685 1.00 0.52 O ATOM 409 CB LYS A 30 16.016 2.877 10.587 1.00 0.81 C ATOM 410 CG LYS A 30 17.382 3.405 10.998 1.00 1.42 C ATOM 411 CD LYS A 30 17.290 4.295 12.225 1.00 2.13 C ATOM 412 CE LYS A 30 16.722 3.554 13.422 1.00 2.73 C ATOM 413 NZ LYS A 30 16.546 4.455 14.590 1.00 3.49 N1+ ATOM 414 H LYS A 30 16.419 4.357 8.591 1.00 0.53 H ATOM 415 HA LYS A 30 16.703 1.584 9.022 1.00 0.64 H ATOM 416 HB2 LYS A 30 15.297 3.675 10.697 1.00 1.26 H ATOM 417 HB3 LYS A 30 15.751 2.069 11.252 1.00 1.26 H ATOM 418 HG2 LYS A 30 18.028 2.570 11.222 1.00 1.93 H ATOM 419 HG3 LYS A 30 17.798 3.976 10.180 1.00 1.99 H ATOM 420 HD2 LYS A 30 18.278 4.651 12.472 1.00 2.54 H ATOM 421 HD3 LYS A 30 16.651 5.136 11.997 1.00 2.61 H ATOM 422 HE2 LYS A 30 15.762 3.140 13.152 1.00 2.82 H ATOM 423 HE3 LYS A 30 17.396 2.757 13.691 1.00 3.19 H ATOM 424 HZ1 LYS A 30 15.876 5.216 14.357 1.00 3.98 H ATOM 425 HZ2 LYS A 30 17.455 4.879 14.857 1.00 3.76 H ATOM 426 HZ3 LYS A 30 16.176 3.920 15.402 1.00 3.79 H ATOM 427 N GLU A 31 13.623 2.710 8.711 1.00 0.51 N ATOM 428 CA GLU A 31 12.263 2.345 8.344 1.00 0.52 C ATOM 429 C GLU A 31 11.703 3.363 7.369 1.00 0.42 C ATOM 430 O GLU A 31 12.075 4.539 7.406 1.00 0.44 O ATOM 431 CB GLU A 31 11.353 2.267 9.576 1.00 0.69 C ATOM 432 CG GLU A 31 11.643 1.091 10.492 1.00 1.15 C ATOM 433 CD GLU A 31 10.697 1.033 11.673 1.00 1.39 C ATOM 434 OE1 GLU A 31 10.984 1.686 12.702 1.00 2.00 O1- ATOM 435 OE2 GLU A 31 9.664 0.334 11.581 1.00 1.71 O ATOM 436 H GLU A 31 13.833 3.655 8.862 1.00 0.57 H ATOM 437 HA GLU A 31 12.293 1.379 7.863 1.00 0.54 H ATOM 438 HB2 GLU A 31 11.467 3.175 10.150 1.00 1.30 H ATOM 439 HB3 GLU A 31 10.328 2.192 9.246 1.00 1.13 H ATOM 440 HG2 GLU A 31 11.543 0.178 9.926 1.00 1.90 H ATOM 441 HG3 GLU A 31 12.654 1.178 10.861 1.00 1.66 H ATOM 442 N PHE A 32 10.831 2.912 6.489 1.00 0.36 N ATOM 443 CA PHE A 32 10.156 3.809 5.573 1.00 0.30 C ATOM 444 C PHE A 32 8.695 3.934 5.975 1.00 0.25 C ATOM 445 O PHE A 32 7.948 2.952 5.945 1.00 0.29 O ATOM 446 CB PHE A 32 10.277 3.303 4.136 1.00 0.32 C ATOM 447 CG PHE A 32 9.956 4.347 3.106 1.00 0.30 C ATOM 448 CD1 PHE A 32 10.892 5.307 2.772 1.00 0.30 C ATOM 449 CD2 PHE A 32 8.725 4.371 2.475 1.00 0.32 C ATOM 450 CE1 PHE A 32 10.608 6.272 1.829 1.00 0.32 C ATOM 451 CE2 PHE A 32 8.435 5.336 1.530 1.00 0.34 C ATOM 452 CZ PHE A 32 9.379 6.288 1.207 1.00 0.34 C ATOM 453 H PHE A 32 10.641 1.946 6.447 1.00 0.39 H ATOM 454 HA PHE A 32 10.626 4.781 5.651 1.00 0.30 H ATOM 455 HB2 PHE A 32 11.288 2.967 3.964 1.00 0.36 H ATOM 456 HB3 PHE A 32 9.595 2.477 3.996 1.00 0.35 H ATOM 457 HD1 PHE A 32 11.855 5.299 3.259 1.00 0.32 H ATOM 458 HD2 PHE A 32 7.987 3.627 2.728 1.00 0.35 H ATOM 459 HE1 PHE A 32 11.350 7.017 1.579 1.00 0.35 H ATOM 460 HE2 PHE A 32 7.472 5.346 1.044 1.00 0.39 H ATOM 461 HZ PHE A 32 9.157 7.044 0.469 1.00 0.38 H ATOM 462 N THR A 33 8.300 5.133 6.366 1.00 0.21 N ATOM 463 CA THR A 33 6.962 5.364 6.879 1.00 0.19 C ATOM 464 C THR A 33 6.040 5.916 5.799 1.00 0.17 C ATOM 465 O THR A 33 6.166 7.067 5.378 1.00 0.26 O ATOM 466 CB THR A 33 6.987 6.342 8.068 1.00 0.24 C ATOM 467 OG1 THR A 33 7.948 5.906 9.043 1.00 0.32 O ATOM 468 CG2 THR A 33 5.613 6.441 8.714 1.00 0.26 C ATOM 469 H THR A 33 8.928 5.888 6.303 1.00 0.24 H ATOM 470 HA THR A 33 6.567 4.420 7.225 1.00 0.21 H ATOM 471 HB THR A 33 7.270 7.320 7.705 1.00 0.29 H ATOM 472 HG1 THR A 33 8.820 6.250 8.811 1.00 1.04 H ATOM 473 HG21 THR A 33 4.888 6.744 7.972 1.00 1.03 H ATOM 474 HG22 THR A 33 5.639 7.171 9.510 1.00 1.03 H ATOM 475 HG23 THR A 33 5.334 5.478 9.117 1.00 0.98 H ATOM 476 N ILE A 34 5.108 5.092 5.358 1.00 0.16 N ATOM 477 CA ILE A 34 4.141 5.508 4.360 1.00 0.17 C ATOM 478 C ILE A 34 2.826 5.864 5.031 1.00 0.17 C ATOM 479 O ILE A 34 2.228 5.033 5.714 1.00 0.21 O ATOM 480 CB ILE A 34 3.890 4.409 3.305 1.00 0.18 C ATOM 481 CG1 ILE A 34 5.195 4.060 2.584 1.00 0.19 C ATOM 482 CG2 ILE A 34 2.825 4.862 2.310 1.00 0.23 C ATOM 483 CD1 ILE A 34 5.060 2.946 1.564 1.00 0.22 C ATOM 484 H ILE A 34 5.058 4.185 5.730 1.00 0.20 H ATOM 485 HA ILE A 34 4.532 6.382 3.860 1.00 0.19 H ATOM 486 HB ILE A 34 3.521 3.532 3.813 1.00 0.20 H ATOM 487 HG12 ILE A 34 5.557 4.937 2.070 1.00 0.21 H ATOM 488 HG13 ILE A 34 5.928 3.752 3.316 1.00 0.19 H ATOM 489 HG21 ILE A 34 2.659 4.085 1.580 1.00 0.96 H ATOM 490 HG22 ILE A 34 3.156 5.761 1.811 1.00 0.96 H ATOM 491 HG23 ILE A 34 1.904 5.064 2.838 1.00 0.91 H ATOM 492 HD11 ILE A 34 6.018 2.769 1.095 1.00 1.03 H ATOM 493 HD12 ILE A 34 4.339 3.230 0.813 1.00 1.03 H ATOM 494 HD13 ILE A 34 4.730 2.044 2.057 1.00 0.97 H ATOM 495 N THR A 35 2.396 7.100 4.856 1.00 0.18 N ATOM 496 CA THR A 35 1.144 7.555 5.426 1.00 0.19 C ATOM 497 C THR A 35 0.095 7.751 4.340 1.00 0.17 C ATOM 498 O THR A 35 0.299 8.518 3.401 1.00 0.20 O ATOM 499 CB THR A 35 1.330 8.872 6.204 1.00 0.23 C ATOM 500 OG1 THR A 35 2.191 8.653 7.331 1.00 0.23 O ATOM 501 CG2 THR A 35 -0.012 9.419 6.676 1.00 0.28 C ATOM 502 H THR A 35 2.934 7.724 4.318 1.00 0.20 H ATOM 503 HA THR A 35 0.798 6.799 6.115 1.00 0.19 H ATOM 504 HB THR A 35 1.787 9.598 5.548 1.00 0.26 H ATOM 505 HG1 THR A 35 1.808 7.957 7.894 1.00 0.74 H ATOM 506 HG21 THR A 35 -0.485 8.698 7.326 1.00 0.96 H ATOM 507 HG22 THR A 35 -0.647 9.602 5.821 1.00 1.02 H ATOM 508 HG23 THR A 35 0.143 10.342 7.213 1.00 1.00 H ATOM 509 N LEU A 36 -1.016 7.050 4.474 1.00 0.16 N ATOM 510 CA LEU A 36 -2.112 7.169 3.532 1.00 0.14 C ATOM 511 C LEU A 36 -3.200 8.059 4.114 1.00 0.17 C ATOM 512 O LEU A 36 -3.668 7.829 5.231 1.00 0.20 O ATOM 513 CB LEU A 36 -2.691 5.788 3.214 1.00 0.16 C ATOM 514 CG LEU A 36 -3.773 5.764 2.127 1.00 0.14 C ATOM 515 CD1 LEU A 36 -3.170 6.043 0.759 1.00 0.17 C ATOM 516 CD2 LEU A 36 -4.500 4.429 2.127 1.00 0.18 C ATOM 517 H LEU A 36 -1.108 6.439 5.240 1.00 0.17 H ATOM 518 HA LEU A 36 -1.732 7.616 2.628 1.00 0.15 H ATOM 519 HB2 LEU A 36 -1.882 5.145 2.906 1.00 0.20 H ATOM 520 HB3 LEU A 36 -3.118 5.387 4.121 1.00 0.21 H ATOM 521 HG LEU A 36 -4.496 6.541 2.334 1.00 0.13 H ATOM 522 HD11 LEU A 36 -3.942 5.972 0.007 1.00 0.98 H ATOM 523 HD12 LEU A 36 -2.397 5.318 0.550 1.00 0.97 H ATOM 524 HD13 LEU A 36 -2.747 7.035 0.745 1.00 1.05 H ATOM 525 HD21 LEU A 36 -5.234 4.421 1.336 1.00 0.99 H ATOM 526 HD22 LEU A 36 -4.994 4.287 3.076 1.00 1.04 H ATOM 527 HD23 LEU A 36 -3.791 3.631 1.968 1.00 0.97 H ATOM 528 N LYS A 37 -3.585 9.077 3.366 1.00 0.21 N ATOM 529 CA LYS A 37 -4.649 9.969 3.792 1.00 0.27 C ATOM 530 C LYS A 37 -5.780 9.951 2.774 1.00 0.20 C ATOM 531 O LYS A 37 -5.628 10.437 1.650 1.00 0.22 O ATOM 532 CB LYS A 37 -4.131 11.401 3.984 1.00 0.42 C ATOM 533 CG LYS A 37 -2.998 11.511 4.993 1.00 1.22 C ATOM 534 CD LYS A 37 -2.684 12.962 5.322 1.00 1.21 C ATOM 535 CE LYS A 37 -1.570 13.077 6.352 1.00 2.09 C ATOM 536 NZ LYS A 37 -1.349 14.487 6.771 1.00 2.62 N1+ ATOM 537 H LYS A 37 -3.143 9.228 2.498 1.00 0.23 H ATOM 538 HA LYS A 37 -5.028 9.602 4.736 1.00 0.34 H ATOM 539 HB2 LYS A 37 -3.777 11.775 3.034 1.00 1.11 H ATOM 540 HB3 LYS A 37 -4.949 12.024 4.323 1.00 0.73 H ATOM 541 HG2 LYS A 37 -3.284 11.001 5.899 1.00 1.93 H ATOM 542 HG3 LYS A 37 -2.114 11.047 4.580 1.00 1.96 H ATOM 543 HD2 LYS A 37 -2.379 13.468 4.418 1.00 1.40 H ATOM 544 HD3 LYS A 37 -3.575 13.429 5.714 1.00 1.51 H ATOM 545 HE2 LYS A 37 -1.835 12.491 7.218 1.00 2.18 H ATOM 546 HE3 LYS A 37 -0.657 12.690 5.922 1.00 2.79 H ATOM 547 HZ1 LYS A 37 -2.221 14.880 7.180 1.00 3.01 H ATOM 548 HZ2 LYS A 37 -1.073 15.067 5.955 1.00 3.07 H ATOM 549 HZ3 LYS A 37 -0.593 14.534 7.486 1.00 2.78 H ATOM 550 N HIS A 38 -6.907 9.373 3.160 1.00 0.18 N ATOM 551 CA HIS A 38 -8.050 9.281 2.263 1.00 0.16 C ATOM 552 C HIS A 38 -8.879 10.560 2.336 1.00 0.23 C ATOM 553 O HIS A 38 -9.792 10.686 3.156 1.00 0.29 O ATOM 554 CB HIS A 38 -8.907 8.052 2.602 1.00 0.21 C ATOM 555 CG HIS A 38 -10.064 7.817 1.669 1.00 0.20 C ATOM 556 ND1 HIS A 38 -10.276 8.542 0.512 1.00 0.18 N ATOM 557 CD2 HIS A 38 -11.093 6.940 1.747 1.00 0.29 C ATOM 558 CE1 HIS A 38 -11.388 8.124 -0.068 1.00 0.19 C ATOM 559 NE2 HIS A 38 -11.900 7.151 0.661 1.00 0.24 N ATOM 560 H HIS A 38 -6.972 9.010 4.068 1.00 0.22 H ATOM 561 HA HIS A 38 -7.670 9.176 1.257 1.00 0.17 H ATOM 562 HB2 HIS A 38 -8.282 7.172 2.574 1.00 0.24 H ATOM 563 HB3 HIS A 38 -9.306 8.169 3.600 1.00 0.27 H ATOM 564 HD1 HIS A 38 -9.682 9.240 0.152 1.00 0.25 H ATOM 565 HD2 HIS A 38 -11.252 6.211 2.529 1.00 0.41 H ATOM 566 HE1 HIS A 38 -11.816 8.527 -0.974 1.00 0.24 H ATOM 567 HE2 HIS A 38 -12.615 6.541 0.366 1.00 0.26 H ATOM 568 N THR A 39 -8.553 11.492 1.452 1.00 0.30 N ATOM 569 CA THR A 39 -9.237 12.767 1.370 1.00 0.44 C ATOM 570 C THR A 39 -10.523 12.629 0.559 1.00 0.55 C ATOM 571 O THR A 39 -10.585 12.988 -0.619 1.00 1.42 O ATOM 572 CB THR A 39 -8.322 13.827 0.731 1.00 0.52 C ATOM 573 OG1 THR A 39 -7.020 13.752 1.330 1.00 1.60 O ATOM 574 CG2 THR A 39 -8.887 15.227 0.921 1.00 1.46 C ATOM 575 H THR A 39 -7.819 11.312 0.827 1.00 0.31 H ATOM 576 HA THR A 39 -9.482 13.085 2.373 1.00 0.47 H ATOM 577 HB THR A 39 -8.239 13.625 -0.327 1.00 0.92 H ATOM 578 HG1 THR A 39 -7.113 13.531 2.267 1.00 2.04 H ATOM 579 HG21 THR A 39 -9.864 15.286 0.464 1.00 1.97 H ATOM 580 HG22 THR A 39 -8.229 15.947 0.459 1.00 2.04 H ATOM 581 HG23 THR A 39 -8.971 15.441 1.977 1.00 2.09 H ATOM 582 N GLY A 40 -11.529 12.069 1.198 1.00 0.61 N ATOM 583 CA GLY A 40 -12.823 11.912 0.582 1.00 0.56 C ATOM 584 C GLY A 40 -13.914 11.932 1.626 1.00 0.66 C ATOM 585 O GLY A 40 -13.632 12.143 2.806 1.00 1.16 O ATOM 586 H GLY A 40 -11.392 11.761 2.118 1.00 1.26 H ATOM 587 HA2 GLY A 40 -12.983 12.720 -0.121 1.00 0.53 H ATOM 588 HA3 GLY A 40 -12.855 10.968 0.055 1.00 0.54 H ATOM 589 N THR A 41 -15.147 11.705 1.214 1.00 0.46 N ATOM 590 CA THR A 41 -16.264 11.697 2.149 1.00 0.53 C ATOM 591 C THR A 41 -17.051 10.392 2.063 1.00 0.46 C ATOM 592 O THR A 41 -18.161 10.283 2.589 1.00 0.75 O ATOM 593 CB THR A 41 -17.208 12.890 1.906 1.00 0.71 C ATOM 594 OG1 THR A 41 -17.467 13.035 0.503 1.00 1.41 O ATOM 595 CG2 THR A 41 -16.612 14.178 2.453 1.00 1.53 C ATOM 596 H THR A 41 -15.313 11.543 0.256 1.00 0.63 H ATOM 597 HA THR A 41 -15.858 11.791 3.146 1.00 0.61 H ATOM 598 HB THR A 41 -18.141 12.698 2.416 1.00 1.21 H ATOM 599 HG1 THR A 41 -18.386 12.804 0.324 1.00 2.01 H ATOM 600 HG21 THR A 41 -15.660 14.364 1.979 1.00 2.20 H ATOM 601 HG22 THR A 41 -16.470 14.084 3.519 1.00 1.98 H ATOM 602 HG23 THR A 41 -17.282 15.000 2.249 1.00 1.99 H ATOM 603 N GLN A 42 -16.468 9.400 1.410 1.00 0.41 N ATOM 604 CA GLN A 42 -17.115 8.107 1.256 1.00 0.35 C ATOM 605 C GLN A 42 -16.702 7.149 2.367 1.00 0.29 C ATOM 606 O GLN A 42 -15.526 7.060 2.720 1.00 0.31 O ATOM 607 CB GLN A 42 -16.786 7.504 -0.109 1.00 0.39 C ATOM 608 CG GLN A 42 -17.582 8.116 -1.249 1.00 0.59 C ATOM 609 CD GLN A 42 -19.064 7.818 -1.145 1.00 1.37 C ATOM 610 OE1 GLN A 42 -19.816 8.554 -0.505 1.00 1.89 O ATOM 611 NE2 GLN A 42 -19.494 6.743 -1.778 1.00 2.08 N ATOM 612 H GLN A 42 -15.575 9.537 1.028 1.00 0.63 H ATOM 613 HA GLN A 42 -18.181 8.267 1.317 1.00 0.42 H ATOM 614 HB2 GLN A 42 -15.735 7.652 -0.310 1.00 0.38 H ATOM 615 HB3 GLN A 42 -16.993 6.445 -0.080 1.00 0.38 H ATOM 616 HG2 GLN A 42 -17.448 9.187 -1.236 1.00 1.09 H ATOM 617 HG3 GLN A 42 -17.215 7.719 -2.185 1.00 1.13 H ATOM 618 HE21 GLN A 42 -18.842 6.204 -2.276 1.00 2.08 H ATOM 619 HE22 GLN A 42 -20.449 6.523 -1.726 1.00 2.81 H ATOM 620 N PRO A 43 -17.681 6.427 2.933 1.00 0.32 N ATOM 621 CA PRO A 43 -17.435 5.450 3.997 1.00 0.35 C ATOM 622 C PRO A 43 -16.685 4.231 3.470 1.00 0.31 C ATOM 623 O PRO A 43 -16.766 3.905 2.283 1.00 0.29 O ATOM 624 CB PRO A 43 -18.843 5.071 4.463 1.00 0.47 C ATOM 625 CG PRO A 43 -19.715 5.326 3.286 1.00 0.49 C ATOM 626 CD PRO A 43 -19.109 6.503 2.570 1.00 0.40 C ATOM 627 HA PRO A 43 -16.883 5.886 4.814 1.00 0.38 H ATOM 628 HB2 PRO A 43 -18.862 4.031 4.753 1.00 0.53 H ATOM 629 HB3 PRO A 43 -19.124 5.690 5.303 1.00 0.53 H ATOM 630 HG2 PRO A 43 -19.722 4.459 2.639 1.00 0.52 H ATOM 631 HG3 PRO A 43 -20.718 5.560 3.615 1.00 0.58 H ATOM 632 HD2 PRO A 43 -19.238 6.402 1.501 1.00 0.43 H ATOM 633 HD3 PRO A 43 -19.545 7.429 2.920 1.00 0.44 H ATOM 634 N LYS A 44 -15.962 3.558 4.362 1.00 0.33 N ATOM 635 CA LYS A 44 -15.045 2.488 3.971 1.00 0.34 C ATOM 636 C LYS A 44 -15.772 1.267 3.412 1.00 0.36 C ATOM 637 O LYS A 44 -15.153 0.408 2.786 1.00 0.44 O ATOM 638 CB LYS A 44 -14.147 2.078 5.148 1.00 0.43 C ATOM 639 CG LYS A 44 -14.889 1.556 6.371 1.00 0.49 C ATOM 640 CD LYS A 44 -13.914 1.226 7.491 1.00 0.66 C ATOM 641 CE LYS A 44 -14.628 0.803 8.763 1.00 1.06 C ATOM 642 NZ LYS A 44 -15.339 -0.492 8.608 1.00 1.82 N1+ ATOM 643 H LYS A 44 -16.046 3.792 5.313 1.00 0.36 H ATOM 644 HA LYS A 44 -14.416 2.884 3.189 1.00 0.33 H ATOM 645 HB2 LYS A 44 -13.476 1.304 4.814 1.00 0.50 H ATOM 646 HB3 LYS A 44 -13.564 2.935 5.452 1.00 0.46 H ATOM 647 HG2 LYS A 44 -15.580 2.309 6.716 1.00 0.46 H ATOM 648 HG3 LYS A 44 -15.429 0.662 6.099 1.00 0.55 H ATOM 649 HD2 LYS A 44 -13.274 0.420 7.168 1.00 1.25 H ATOM 650 HD3 LYS A 44 -13.314 2.100 7.700 1.00 1.24 H ATOM 651 HE2 LYS A 44 -13.899 0.707 9.553 1.00 1.52 H ATOM 652 HE3 LYS A 44 -15.343 1.566 9.027 1.00 1.81 H ATOM 653 HZ1 LYS A 44 -15.764 -0.775 9.515 1.00 2.15 H ATOM 654 HZ2 LYS A 44 -14.676 -1.234 8.306 1.00 2.20 H ATOM 655 HZ3 LYS A 44 -16.092 -0.406 7.899 1.00 2.49 H ATOM 656 N ALA A 45 -17.075 1.187 3.643 1.00 0.40 N ATOM 657 CA ALA A 45 -17.885 0.112 3.079 1.00 0.46 C ATOM 658 C ALA A 45 -18.253 0.405 1.627 1.00 0.48 C ATOM 659 O ALA A 45 -18.726 -0.472 0.905 1.00 0.58 O ATOM 660 CB ALA A 45 -19.141 -0.098 3.909 1.00 0.59 C ATOM 661 H ALA A 45 -17.499 1.852 4.224 1.00 0.42 H ATOM 662 HA ALA A 45 -17.302 -0.797 3.114 1.00 0.51 H ATOM 663 HB1 ALA A 45 -19.750 0.794 3.871 1.00 1.11 H ATOM 664 HB2 ALA A 45 -18.867 -0.303 4.933 1.00 1.18 H ATOM 665 HB3 ALA A 45 -19.701 -0.932 3.512 1.00 1.27 H ATOM 666 N SER A 46 -18.032 1.641 1.201 1.00 0.49 N ATOM 667 CA SER A 46 -18.363 2.052 -0.154 1.00 0.63 C ATOM 668 C SER A 46 -17.090 2.334 -0.947 1.00 0.47 C ATOM 669 O SER A 46 -16.833 1.702 -1.972 1.00 0.61 O ATOM 670 CB SER A 46 -19.266 3.292 -0.124 1.00 0.83 C ATOM 671 OG SER A 46 -19.591 3.730 -1.430 1.00 1.51 O ATOM 672 H SER A 46 -17.622 2.291 1.811 1.00 0.47 H ATOM 673 HA SER A 46 -18.895 1.240 -0.626 1.00 0.80 H ATOM 674 HB2 SER A 46 -20.181 3.052 0.397 1.00 1.42 H ATOM 675 HB3 SER A 46 -18.757 4.091 0.393 1.00 1.21 H ATOM 676 HG SER A 46 -20.422 3.326 -1.707 1.00 1.86 H ATOM 677 N MET A 47 -16.285 3.263 -0.453 1.00 0.27 N ATOM 678 CA MET A 47 -15.054 3.643 -1.127 1.00 0.21 C ATOM 679 C MET A 47 -13.914 3.698 -0.118 1.00 0.17 C ATOM 680 O MET A 47 -13.452 4.777 0.272 1.00 0.19 O ATOM 681 CB MET A 47 -15.217 5.002 -1.818 1.00 0.29 C ATOM 682 CG MET A 47 -14.034 5.400 -2.697 1.00 0.42 C ATOM 683 SD MET A 47 -13.906 4.423 -4.208 1.00 1.13 S ATOM 684 CE MET A 47 -15.349 4.985 -5.105 1.00 0.81 C ATOM 685 H MET A 47 -16.517 3.698 0.399 1.00 0.30 H ATOM 686 HA MET A 47 -14.831 2.888 -1.868 1.00 0.31 H ATOM 687 HB2 MET A 47 -16.106 4.975 -2.430 1.00 0.34 H ATOM 688 HB3 MET A 47 -15.341 5.760 -1.060 1.00 0.33 H ATOM 689 HG2 MET A 47 -14.143 6.439 -2.970 1.00 1.00 H ATOM 690 HG3 MET A 47 -13.123 5.273 -2.129 1.00 0.96 H ATOM 691 HE1 MET A 47 -15.357 4.537 -6.088 1.00 1.32 H ATOM 692 HE2 MET A 47 -15.318 6.060 -5.201 1.00 1.27 H ATOM 693 HE3 MET A 47 -16.242 4.696 -4.572 1.00 1.19 H ATOM 694 N GLY A 48 -13.497 2.528 0.332 1.00 0.14 N ATOM 695 CA GLY A 48 -12.396 2.445 1.261 1.00 0.12 C ATOM 696 C GLY A 48 -11.098 2.166 0.548 1.00 0.11 C ATOM 697 O GLY A 48 -11.092 1.568 -0.530 1.00 0.13 O ATOM 698 H GLY A 48 -13.930 1.710 0.012 1.00 0.15 H ATOM 699 HA2 GLY A 48 -12.312 3.383 1.793 1.00 0.14 H ATOM 700 HA3 GLY A 48 -12.587 1.650 1.967 1.00 0.14 H ATOM 701 N HIS A 49 -9.991 2.607 1.127 1.00 0.11 N ATOM 702 CA HIS A 49 -8.689 2.410 0.497 1.00 0.11 C ATOM 703 C HIS A 49 -7.660 1.939 1.514 1.00 0.12 C ATOM 704 O HIS A 49 -7.783 2.208 2.712 1.00 0.15 O ATOM 705 CB HIS A 49 -8.169 3.705 -0.153 1.00 0.12 C ATOM 706 CG HIS A 49 -9.029 4.277 -1.242 1.00 0.12 C ATOM 707 ND1 HIS A 49 -9.371 3.555 -2.362 1.00 0.13 N ATOM 708 CD2 HIS A 49 -9.558 5.519 -1.340 1.00 0.13 C ATOM 709 CE1 HIS A 49 -10.092 4.375 -3.108 1.00 0.14 C ATOM 710 NE2 HIS A 49 -10.232 5.579 -2.532 1.00 0.14 N ATOM 711 H HIS A 49 -10.045 3.066 1.993 1.00 0.12 H ATOM 712 HA HIS A 49 -8.801 1.653 -0.266 1.00 0.12 H ATOM 713 HB2 HIS A 49 -8.075 4.462 0.612 1.00 0.13 H ATOM 714 HB3 HIS A 49 -7.191 3.513 -0.576 1.00 0.13 H ATOM 715 HD2 HIS A 49 -9.464 6.318 -0.617 1.00 0.14 H ATOM 716 HE1 HIS A 49 -10.521 4.109 -4.061 1.00 0.16 H ATOM 717 HE2 HIS A 49 -10.469 6.407 -3.007 1.00 0.15 H ATOM 718 N ASN A 50 -6.658 1.226 1.026 1.00 0.12 N ATOM 719 CA ASN A 50 -5.481 0.899 1.814 1.00 0.19 C ATOM 720 C ASN A 50 -4.254 0.932 0.915 1.00 0.24 C ATOM 721 O ASN A 50 -4.369 1.146 -0.292 1.00 0.43 O ATOM 722 CB ASN A 50 -5.602 -0.474 2.513 1.00 0.29 C ATOM 723 CG ASN A 50 -5.736 -1.658 1.563 1.00 0.67 C ATOM 724 OD1 ASN A 50 -5.310 -1.618 0.414 1.00 1.48 O ATOM 725 ND2 ASN A 50 -6.302 -2.745 2.060 1.00 0.69 N ATOM 726 H ASN A 50 -6.707 0.908 0.094 1.00 0.13 H ATOM 727 HA ASN A 50 -5.371 1.667 2.567 1.00 0.22 H ATOM 728 HB2 ASN A 50 -4.723 -0.634 3.118 1.00 0.88 H ATOM 729 HB3 ASN A 50 -6.469 -0.460 3.159 1.00 0.81 H ATOM 730 HD21 ASN A 50 -6.599 -2.732 2.993 1.00 0.74 H ATOM 731 HD22 ASN A 50 -6.393 -3.529 1.469 1.00 1.15 H ATOM 732 N LEU A 51 -3.088 0.751 1.499 1.00 0.17 N ATOM 733 CA LEU A 51 -1.864 0.671 0.729 1.00 0.17 C ATOM 734 C LEU A 51 -1.023 -0.490 1.236 1.00 0.17 C ATOM 735 O LEU A 51 -0.579 -0.497 2.385 1.00 0.20 O ATOM 736 CB LEU A 51 -1.091 1.997 0.802 1.00 0.18 C ATOM 737 CG LEU A 51 0.111 2.122 -0.143 1.00 0.20 C ATOM 738 CD1 LEU A 51 0.337 3.579 -0.519 1.00 0.20 C ATOM 739 CD2 LEU A 51 1.369 1.555 0.501 1.00 0.22 C ATOM 740 H LEU A 51 -3.045 0.675 2.479 1.00 0.22 H ATOM 741 HA LEU A 51 -2.137 0.478 -0.298 1.00 0.17 H ATOM 742 HB2 LEU A 51 -1.780 2.800 0.577 1.00 0.20 H ATOM 743 HB3 LEU A 51 -0.736 2.123 1.815 1.00 0.18 H ATOM 744 HG LEU A 51 -0.089 1.567 -1.048 1.00 0.22 H ATOM 745 HD11 LEU A 51 -0.544 3.963 -1.014 1.00 0.98 H ATOM 746 HD12 LEU A 51 1.184 3.653 -1.185 1.00 1.05 H ATOM 747 HD13 LEU A 51 0.528 4.157 0.371 1.00 1.02 H ATOM 748 HD21 LEU A 51 1.594 2.106 1.402 1.00 0.99 H ATOM 749 HD22 LEU A 51 2.197 1.639 -0.186 1.00 0.92 H ATOM 750 HD23 LEU A 51 1.209 0.515 0.746 1.00 0.92 H ATOM 751 N VAL A 52 -0.849 -1.488 0.388 1.00 0.17 N ATOM 752 CA VAL A 52 -0.055 -2.653 0.735 1.00 0.20 C ATOM 753 C VAL A 52 1.237 -2.683 -0.074 1.00 0.22 C ATOM 754 O VAL A 52 1.286 -2.194 -1.203 1.00 0.30 O ATOM 755 CB VAL A 52 -0.839 -3.966 0.502 1.00 0.25 C ATOM 756 CG1 VAL A 52 -2.138 -3.962 1.292 1.00 1.25 C ATOM 757 CG2 VAL A 52 -1.115 -4.181 -0.978 1.00 1.46 C ATOM 758 H VAL A 52 -1.273 -1.444 -0.497 1.00 0.17 H ATOM 759 HA VAL A 52 0.193 -2.586 1.783 1.00 0.22 H ATOM 760 HB VAL A 52 -0.235 -4.790 0.855 1.00 1.12 H ATOM 761 HG11 VAL A 52 -2.666 -4.888 1.123 1.00 1.79 H ATOM 762 HG12 VAL A 52 -2.753 -3.134 0.967 1.00 1.83 H ATOM 763 HG13 VAL A 52 -1.921 -3.857 2.342 1.00 1.96 H ATOM 764 HG21 VAL A 52 -1.723 -3.370 -1.352 1.00 2.06 H ATOM 765 HG22 VAL A 52 -1.635 -5.116 -1.116 1.00 1.90 H ATOM 766 HG23 VAL A 52 -0.179 -4.207 -1.516 1.00 2.13 H ATOM 767 N ILE A 53 2.278 -3.242 0.519 1.00 0.21 N ATOM 768 CA ILE A 53 3.565 -3.373 -0.144 1.00 0.23 C ATOM 769 C ILE A 53 3.900 -4.848 -0.327 1.00 0.19 C ATOM 770 O ILE A 53 4.045 -5.578 0.656 1.00 0.20 O ATOM 771 CB ILE A 53 4.691 -2.692 0.672 1.00 0.31 C ATOM 772 CG1 ILE A 53 4.426 -1.187 0.826 1.00 0.45 C ATOM 773 CG2 ILE A 53 6.049 -2.927 0.018 1.00 0.30 C ATOM 774 CD1 ILE A 53 4.559 -0.403 -0.464 1.00 0.51 C ATOM 775 H ILE A 53 2.178 -3.582 1.436 1.00 0.23 H ATOM 776 HA ILE A 53 3.501 -2.900 -1.114 1.00 0.27 H ATOM 777 HB ILE A 53 4.710 -3.146 1.652 1.00 0.34 H ATOM 778 HG12 ILE A 53 3.422 -1.040 1.193 1.00 1.04 H ATOM 779 HG13 ILE A 53 5.129 -0.775 1.538 1.00 0.88 H ATOM 780 HG21 ILE A 53 6.045 -2.509 -0.978 1.00 0.96 H ATOM 781 HG22 ILE A 53 6.242 -3.989 -0.039 1.00 1.05 H ATOM 782 HG23 ILE A 53 6.819 -2.451 0.606 1.00 0.99 H ATOM 783 HD11 ILE A 53 5.563 -0.513 -0.849 1.00 1.10 H ATOM 784 HD12 ILE A 53 4.360 0.642 -0.275 1.00 1.31 H ATOM 785 HD13 ILE A 53 3.853 -0.779 -1.186 1.00 1.14 H ATOM 786 N ALA A 54 4.001 -5.289 -1.573 1.00 0.22 N ATOM 787 CA ALA A 54 4.321 -6.678 -1.864 1.00 0.27 C ATOM 788 C ALA A 54 5.101 -6.791 -3.167 1.00 0.31 C ATOM 789 O ALA A 54 5.265 -5.805 -3.889 1.00 0.30 O ATOM 790 CB ALA A 54 3.050 -7.514 -1.929 1.00 0.32 C ATOM 791 H ALA A 54 3.859 -4.665 -2.320 1.00 0.24 H ATOM 792 HA ALA A 54 4.934 -7.056 -1.057 1.00 0.30 H ATOM 793 HB1 ALA A 54 3.308 -8.557 -2.047 1.00 1.06 H ATOM 794 HB2 ALA A 54 2.454 -7.195 -2.771 1.00 0.96 H ATOM 795 HB3 ALA A 54 2.485 -7.383 -1.019 1.00 1.09 H ATOM 796 N LYS A 55 5.589 -7.989 -3.460 1.00 0.43 N ATOM 797 CA LYS A 55 6.351 -8.226 -4.681 1.00 0.52 C ATOM 798 C LYS A 55 5.429 -8.288 -5.891 1.00 0.53 C ATOM 799 O LYS A 55 4.275 -8.693 -5.765 1.00 0.64 O ATOM 800 CB LYS A 55 7.156 -9.524 -4.584 1.00 0.69 C ATOM 801 CG LYS A 55 8.258 -9.487 -3.537 1.00 1.04 C ATOM 802 CD LYS A 55 8.975 -10.826 -3.421 1.00 1.03 C ATOM 803 CE LYS A 55 9.566 -11.262 -4.756 1.00 1.01 C ATOM 804 NZ LYS A 55 10.295 -12.554 -4.656 1.00 1.46 N1+ ATOM 805 H LYS A 55 5.429 -8.732 -2.844 1.00 0.50 H ATOM 806 HA LYS A 55 7.033 -7.398 -4.808 1.00 0.50 H ATOM 807 HB2 LYS A 55 6.485 -10.335 -4.342 1.00 1.23 H ATOM 808 HB3 LYS A 55 7.610 -9.722 -5.545 1.00 1.22 H ATOM 809 HG2 LYS A 55 8.976 -8.729 -3.814 1.00 1.72 H ATOM 810 HG3 LYS A 55 7.821 -9.238 -2.581 1.00 1.63 H ATOM 811 HD2 LYS A 55 9.775 -10.733 -2.697 1.00 1.28 H ATOM 812 HD3 LYS A 55 8.269 -11.574 -3.087 1.00 1.25 H ATOM 813 HE2 LYS A 55 8.762 -11.373 -5.468 1.00 1.23 H ATOM 814 HE3 LYS A 55 10.245 -10.500 -5.103 1.00 1.32 H ATOM 815 HZ1 LYS A 55 10.697 -12.810 -5.579 1.00 1.94 H ATOM 816 HZ2 LYS A 55 9.648 -13.309 -4.353 1.00 1.67 H ATOM 817 HZ3 LYS A 55 11.067 -12.478 -3.964 1.00 2.05 H ATOM 818 N ALA A 56 5.936 -7.898 -7.051 1.00 0.49 N ATOM 819 CA ALA A 56 5.129 -7.852 -8.268 1.00 0.52 C ATOM 820 C ALA A 56 4.444 -9.191 -8.551 1.00 0.61 C ATOM 821 O ALA A 56 3.226 -9.251 -8.745 1.00 0.77 O ATOM 822 CB ALA A 56 5.993 -7.445 -9.451 1.00 0.53 C ATOM 823 H ALA A 56 6.882 -7.628 -7.093 1.00 0.48 H ATOM 824 HA ALA A 56 4.372 -7.095 -8.132 1.00 0.58 H ATOM 825 HB1 ALA A 56 6.497 -6.517 -9.225 1.00 0.99 H ATOM 826 HB2 ALA A 56 5.370 -7.313 -10.323 1.00 1.25 H ATOM 827 HB3 ALA A 56 6.726 -8.214 -9.644 1.00 1.19 H ATOM 828 N GLU A 57 5.234 -10.256 -8.545 1.00 0.65 N ATOM 829 CA GLU A 57 4.750 -11.590 -8.880 1.00 0.79 C ATOM 830 C GLU A 57 3.813 -12.141 -7.803 1.00 0.71 C ATOM 831 O GLU A 57 2.926 -12.947 -8.089 1.00 0.77 O ATOM 832 CB GLU A 57 5.945 -12.529 -9.064 1.00 1.01 C ATOM 833 CG GLU A 57 5.567 -13.960 -9.399 1.00 1.69 C ATOM 834 CD GLU A 57 6.767 -14.881 -9.428 1.00 2.26 C ATOM 835 OE1 GLU A 57 7.390 -15.021 -10.503 1.00 2.58 O1- ATOM 836 OE2 GLU A 57 7.101 -15.463 -8.377 1.00 2.89 O ATOM 837 H GLU A 57 6.180 -10.140 -8.310 1.00 0.68 H ATOM 838 HA GLU A 57 4.210 -11.525 -9.811 1.00 0.91 H ATOM 839 HB2 GLU A 57 6.565 -12.147 -9.863 1.00 1.33 H ATOM 840 HB3 GLU A 57 6.522 -12.536 -8.151 1.00 1.62 H ATOM 841 HG2 GLU A 57 4.875 -14.318 -8.654 1.00 2.35 H ATOM 842 HG3 GLU A 57 5.093 -13.977 -10.370 1.00 2.06 H ATOM 843 N ASP A 58 3.998 -11.693 -6.573 1.00 0.66 N ATOM 844 CA ASP A 58 3.239 -12.229 -5.447 1.00 0.71 C ATOM 845 C ASP A 58 2.045 -11.343 -5.126 1.00 0.65 C ATOM 846 O ASP A 58 1.265 -11.634 -4.218 1.00 0.65 O ATOM 847 CB ASP A 58 4.134 -12.365 -4.215 1.00 0.88 C ATOM 848 CG ASP A 58 5.258 -13.361 -4.415 1.00 1.36 C ATOM 849 OD1 ASP A 58 5.049 -14.564 -4.154 1.00 1.46 O ATOM 850 OD2 ASP A 58 6.363 -12.948 -4.826 1.00 2.15 O1- ATOM 851 H ASP A 58 4.651 -10.981 -6.416 1.00 0.66 H ATOM 852 HA ASP A 58 2.880 -13.208 -5.729 1.00 0.78 H ATOM 853 HB2 ASP A 58 4.569 -11.405 -3.986 1.00 1.12 H ATOM 854 HB3 ASP A 58 3.535 -12.690 -3.379 1.00 1.27 H ATOM 855 N MET A 59 1.901 -10.268 -5.888 1.00 0.64 N ATOM 856 CA MET A 59 0.845 -9.293 -5.651 1.00 0.64 C ATOM 857 C MET A 59 -0.525 -9.898 -5.930 1.00 0.60 C ATOM 858 O MET A 59 -1.505 -9.587 -5.250 1.00 0.57 O ATOM 859 CB MET A 59 1.048 -8.065 -6.537 1.00 0.78 C ATOM 860 CG MET A 59 0.457 -6.800 -5.951 1.00 0.58 C ATOM 861 SD MET A 59 1.341 -6.273 -4.476 1.00 0.65 S ATOM 862 CE MET A 59 0.475 -4.765 -4.071 1.00 0.35 C ATOM 863 H MET A 59 2.534 -10.117 -6.621 1.00 0.68 H ATOM 864 HA MET A 59 0.892 -8.992 -4.616 1.00 0.66 H ATOM 865 HB2 MET A 59 2.108 -7.909 -6.685 1.00 1.07 H ATOM 866 HB3 MET A 59 0.578 -8.245 -7.494 1.00 1.07 H ATOM 867 HG2 MET A 59 0.512 -6.014 -6.689 1.00 1.05 H ATOM 868 HG3 MET A 59 -0.575 -6.984 -5.692 1.00 1.16 H ATOM 869 HE1 MET A 59 0.942 -4.302 -3.215 1.00 0.98 H ATOM 870 HE2 MET A 59 -0.555 -4.993 -3.838 1.00 0.94 H ATOM 871 HE3 MET A 59 0.515 -4.090 -4.912 1.00 0.93 H ATOM 872 N ASP A 60 -0.580 -10.772 -6.929 1.00 0.65 N ATOM 873 CA ASP A 60 -1.832 -11.398 -7.344 1.00 0.72 C ATOM 874 C ASP A 60 -2.452 -12.191 -6.201 1.00 0.67 C ATOM 875 O ASP A 60 -3.666 -12.141 -5.986 1.00 0.70 O ATOM 876 CB ASP A 60 -1.597 -12.319 -8.543 1.00 0.87 C ATOM 877 CG ASP A 60 -1.126 -11.571 -9.774 1.00 1.41 C ATOM 878 OD1 ASP A 60 0.102 -11.411 -9.947 1.00 2.27 O ATOM 879 OD2 ASP A 60 -1.984 -11.136 -10.573 1.00 1.42 O1- ATOM 880 H ASP A 60 0.247 -11.006 -7.403 1.00 0.68 H ATOM 881 HA ASP A 60 -2.514 -10.614 -7.635 1.00 0.75 H ATOM 882 HB2 ASP A 60 -0.847 -13.049 -8.283 1.00 1.22 H ATOM 883 HB3 ASP A 60 -2.518 -12.827 -8.784 1.00 1.25 H ATOM 884 N GLY A 61 -1.609 -12.904 -5.459 1.00 0.65 N ATOM 885 CA GLY A 61 -2.089 -13.695 -4.343 1.00 0.66 C ATOM 886 C GLY A 61 -2.605 -12.826 -3.217 1.00 0.59 C ATOM 887 O GLY A 61 -3.516 -13.217 -2.481 1.00 0.63 O ATOM 888 H GLY A 61 -0.651 -12.886 -5.667 1.00 0.66 H ATOM 889 HA2 GLY A 61 -2.887 -14.337 -4.685 1.00 0.71 H ATOM 890 HA3 GLY A 61 -1.281 -14.306 -3.972 1.00 0.68 H ATOM 891 N VAL A 62 -2.031 -11.636 -3.094 1.00 0.52 N ATOM 892 CA VAL A 62 -2.433 -10.689 -2.065 1.00 0.48 C ATOM 893 C VAL A 62 -3.864 -10.215 -2.302 1.00 0.45 C ATOM 894 O VAL A 62 -4.678 -10.185 -1.379 1.00 0.46 O ATOM 895 CB VAL A 62 -1.479 -9.474 -2.014 1.00 0.48 C ATOM 896 CG1 VAL A 62 -1.947 -8.454 -0.983 1.00 0.46 C ATOM 897 CG2 VAL A 62 -0.060 -9.925 -1.705 1.00 0.55 C ATOM 898 H VAL A 62 -1.314 -11.386 -3.719 1.00 0.50 H ATOM 899 HA VAL A 62 -2.387 -11.199 -1.112 1.00 0.51 H ATOM 900 HB VAL A 62 -1.480 -9.000 -2.986 1.00 0.50 H ATOM 901 HG11 VAL A 62 -2.939 -8.112 -1.240 1.00 1.09 H ATOM 902 HG12 VAL A 62 -1.268 -7.615 -0.973 1.00 1.02 H ATOM 903 HG13 VAL A 62 -1.967 -8.914 -0.006 1.00 1.22 H ATOM 904 HG21 VAL A 62 0.282 -10.601 -2.474 1.00 1.09 H ATOM 905 HG22 VAL A 62 -0.045 -10.430 -0.750 1.00 1.23 H ATOM 906 HG23 VAL A 62 0.592 -9.064 -1.665 1.00 1.16 H ATOM 907 N PHE A 63 -4.173 -9.865 -3.549 1.00 0.45 N ATOM 908 CA PHE A 63 -5.519 -9.416 -3.903 1.00 0.45 C ATOM 909 C PHE A 63 -6.526 -10.545 -3.728 1.00 0.49 C ATOM 910 O PHE A 63 -7.629 -10.333 -3.223 1.00 0.53 O ATOM 911 CB PHE A 63 -5.574 -8.902 -5.347 1.00 0.47 C ATOM 912 CG PHE A 63 -4.699 -7.712 -5.605 1.00 0.39 C ATOM 913 CD1 PHE A 63 -4.859 -6.548 -4.871 1.00 0.31 C ATOM 914 CD2 PHE A 63 -3.721 -7.751 -6.586 1.00 0.48 C ATOM 915 CE1 PHE A 63 -4.061 -5.448 -5.108 1.00 0.30 C ATOM 916 CE2 PHE A 63 -2.920 -6.655 -6.827 1.00 0.46 C ATOM 917 CZ PHE A 63 -3.090 -5.502 -6.088 1.00 0.35 C ATOM 918 H PHE A 63 -3.479 -9.903 -4.243 1.00 0.46 H ATOM 919 HA PHE A 63 -5.785 -8.610 -3.232 1.00 0.43 H ATOM 920 HB2 PHE A 63 -5.264 -9.692 -6.015 1.00 0.53 H ATOM 921 HB3 PHE A 63 -6.594 -8.622 -5.581 1.00 0.52 H ATOM 922 HD1 PHE A 63 -5.618 -6.506 -4.104 1.00 0.35 H ATOM 923 HD2 PHE A 63 -3.586 -8.652 -7.166 1.00 0.61 H ATOM 924 HE1 PHE A 63 -4.196 -4.547 -4.529 1.00 0.34 H ATOM 925 HE2 PHE A 63 -2.159 -6.698 -7.593 1.00 0.57 H ATOM 926 HZ PHE A 63 -2.464 -4.643 -6.275 1.00 0.38 H ATOM 927 N LYS A 64 -6.126 -11.746 -4.134 1.00 0.51 N ATOM 928 CA LYS A 64 -6.994 -12.915 -4.077 1.00 0.57 C ATOM 929 C LYS A 64 -7.405 -13.216 -2.641 1.00 0.57 C ATOM 930 O LYS A 64 -8.587 -13.394 -2.345 1.00 0.61 O ATOM 931 CB LYS A 64 -6.276 -14.127 -4.679 1.00 0.67 C ATOM 932 CG LYS A 64 -7.137 -15.377 -4.771 1.00 1.35 C ATOM 933 CD LYS A 64 -6.318 -16.572 -5.232 1.00 1.76 C ATOM 934 CE LYS A 64 -7.183 -17.804 -5.439 1.00 2.16 C ATOM 935 NZ LYS A 64 -8.129 -17.635 -6.572 1.00 3.03 N1+ ATOM 936 H LYS A 64 -5.217 -11.848 -4.487 1.00 0.50 H ATOM 937 HA LYS A 64 -7.879 -12.703 -4.658 1.00 0.58 H ATOM 938 HB2 LYS A 64 -5.943 -13.875 -5.674 1.00 1.09 H ATOM 939 HB3 LYS A 64 -5.415 -14.355 -4.071 1.00 1.26 H ATOM 940 HG2 LYS A 64 -7.553 -15.590 -3.797 1.00 2.07 H ATOM 941 HG3 LYS A 64 -7.935 -15.203 -5.478 1.00 1.82 H ATOM 942 HD2 LYS A 64 -5.835 -16.325 -6.164 1.00 2.15 H ATOM 943 HD3 LYS A 64 -5.569 -16.791 -4.484 1.00 2.21 H ATOM 944 HE2 LYS A 64 -6.541 -18.648 -5.643 1.00 2.42 H ATOM 945 HE3 LYS A 64 -7.745 -17.991 -4.536 1.00 2.40 H ATOM 946 HZ1 LYS A 64 -8.822 -16.890 -6.360 1.00 3.31 H ATOM 947 HZ2 LYS A 64 -8.638 -18.522 -6.749 1.00 3.57 H ATOM 948 HZ3 LYS A 64 -7.610 -17.372 -7.435 1.00 3.40 H ATOM 949 N ASP A 65 -6.427 -13.254 -1.745 1.00 0.58 N ATOM 950 CA ASP A 65 -6.698 -13.561 -0.347 1.00 0.62 C ATOM 951 C ASP A 65 -7.402 -12.387 0.315 1.00 0.54 C ATOM 952 O ASP A 65 -8.219 -12.562 1.220 1.00 0.59 O ATOM 953 CB ASP A 65 -5.406 -13.883 0.405 1.00 0.74 C ATOM 954 CG ASP A 65 -5.668 -14.629 1.698 1.00 1.35 C ATOM 955 OD1 ASP A 65 -5.876 -13.963 2.735 1.00 2.28 O1- ATOM 956 OD2 ASP A 65 -5.657 -15.876 1.693 1.00 1.26 O ATOM 957 H ASP A 65 -5.504 -13.067 -2.029 1.00 0.58 H ATOM 958 HA ASP A 65 -7.351 -14.422 -0.315 1.00 0.69 H ATOM 959 HB2 ASP A 65 -4.774 -14.494 -0.221 1.00 0.93 H ATOM 960 HB3 ASP A 65 -4.892 -12.962 0.639 1.00 1.05 H ATOM 961 N GLY A 66 -7.097 -11.191 -0.175 1.00 0.50 N ATOM 962 CA GLY A 66 -7.674 -9.982 0.373 1.00 0.47 C ATOM 963 C GLY A 66 -9.182 -9.948 0.254 1.00 0.43 C ATOM 964 O GLY A 66 -9.872 -9.469 1.153 1.00 0.40 O ATOM 965 H GLY A 66 -6.464 -11.130 -0.923 1.00 0.54 H ATOM 966 HA2 GLY A 66 -7.403 -9.912 1.416 1.00 0.50 H ATOM 967 HA3 GLY A 66 -7.264 -9.128 -0.152 1.00 0.49 H ATOM 968 N VAL A 67 -9.696 -10.476 -0.850 1.00 0.49 N ATOM 969 CA VAL A 67 -11.134 -10.518 -1.087 1.00 0.52 C ATOM 970 C VAL A 67 -11.836 -11.338 -0.004 1.00 0.52 C ATOM 971 O VAL A 67 -12.931 -10.992 0.445 1.00 0.59 O ATOM 972 CB VAL A 67 -11.458 -11.109 -2.477 1.00 0.66 C ATOM 973 CG1 VAL A 67 -12.959 -11.175 -2.707 1.00 1.04 C ATOM 974 CG2 VAL A 67 -10.792 -10.292 -3.574 1.00 0.92 C ATOM 975 H VAL A 67 -9.090 -10.848 -1.527 1.00 0.54 H ATOM 976 HA VAL A 67 -11.505 -9.504 -1.050 1.00 0.51 H ATOM 977 HB VAL A 67 -11.064 -12.115 -2.520 1.00 0.94 H ATOM 978 HG11 VAL A 67 -13.154 -11.582 -3.687 1.00 1.46 H ATOM 979 HG12 VAL A 67 -13.378 -10.182 -2.640 1.00 1.63 H ATOM 980 HG13 VAL A 67 -13.411 -11.808 -1.957 1.00 1.43 H ATOM 981 HG21 VAL A 67 -11.136 -9.271 -3.520 1.00 1.54 H ATOM 982 HG22 VAL A 67 -11.048 -10.708 -4.538 1.00 1.46 H ATOM 983 HG23 VAL A 67 -9.721 -10.319 -3.443 1.00 1.24 H ATOM 984 N GLY A 68 -11.182 -12.406 0.431 1.00 0.50 N ATOM 985 CA GLY A 68 -11.745 -13.255 1.462 1.00 0.53 C ATOM 986 C GLY A 68 -11.326 -12.819 2.853 1.00 0.43 C ATOM 987 O GLY A 68 -11.582 -13.515 3.835 1.00 0.51 O ATOM 988 H GLY A 68 -10.302 -12.617 0.053 1.00 0.51 H ATOM 989 HA2 GLY A 68 -12.822 -13.219 1.393 1.00 0.59 H ATOM 990 HA3 GLY A 68 -11.415 -14.271 1.300 1.00 0.62 H ATOM 991 N ALA A 69 -10.678 -11.664 2.936 1.00 0.38 N ATOM 992 CA ALA A 69 -10.209 -11.135 4.208 1.00 0.32 C ATOM 993 C ALA A 69 -10.910 -9.822 4.535 1.00 0.29 C ATOM 994 O ALA A 69 -10.293 -8.875 5.029 1.00 0.31 O ATOM 995 CB ALA A 69 -8.699 -10.946 4.182 1.00 0.35 C ATOM 996 H ALA A 69 -10.516 -11.146 2.116 1.00 0.44 H ATOM 997 HA ALA A 69 -10.445 -11.857 4.976 1.00 0.37 H ATOM 998 HB1 ALA A 69 -8.453 -10.122 3.531 1.00 0.99 H ATOM 999 HB2 ALA A 69 -8.229 -11.846 3.814 1.00 0.96 H ATOM 1000 HB3 ALA A 69 -8.343 -10.736 5.178 1.00 1.00 H ATOM 1001 N ALA A 70 -12.209 -9.780 4.266 1.00 0.33 N ATOM 1002 CA ALA A 70 -13.017 -8.583 4.478 1.00 0.41 C ATOM 1003 C ALA A 70 -12.999 -8.145 5.938 1.00 0.50 C ATOM 1004 O ALA A 70 -13.138 -6.962 6.247 1.00 0.62 O ATOM 1005 CB ALA A 70 -14.448 -8.835 4.027 1.00 0.52 C ATOM 1006 H ALA A 70 -12.644 -10.588 3.918 1.00 0.38 H ATOM 1007 HA ALA A 70 -12.606 -7.790 3.871 1.00 0.42 H ATOM 1008 HB1 ALA A 70 -14.899 -9.583 4.662 1.00 1.29 H ATOM 1009 HB2 ALA A 70 -14.446 -9.184 3.005 1.00 1.12 H ATOM 1010 HB3 ALA A 70 -15.013 -7.917 4.093 1.00 0.97 H ATOM 1011 N ASP A 71 -12.811 -9.105 6.828 1.00 0.53 N ATOM 1012 CA ASP A 71 -12.827 -8.838 8.260 1.00 0.70 C ATOM 1013 C ASP A 71 -11.505 -8.261 8.742 1.00 0.64 C ATOM 1014 O ASP A 71 -11.412 -7.763 9.860 1.00 0.84 O ATOM 1015 CB ASP A 71 -13.158 -10.110 9.038 1.00 0.91 C ATOM 1016 CG ASP A 71 -14.595 -10.542 8.847 1.00 1.72 C ATOM 1017 OD1 ASP A 71 -14.868 -11.298 7.890 1.00 2.17 O1- ATOM 1018 OD2 ASP A 71 -15.458 -10.136 9.654 1.00 2.44 O ATOM 1019 H ASP A 71 -12.668 -10.025 6.513 1.00 0.50 H ATOM 1020 HA ASP A 71 -13.603 -8.111 8.445 1.00 0.86 H ATOM 1021 HB2 ASP A 71 -12.513 -10.908 8.701 1.00 1.43 H ATOM 1022 HB3 ASP A 71 -12.988 -9.935 10.091 1.00 1.34 H ATOM 1023 N THR A 72 -10.484 -8.307 7.900 1.00 0.48 N ATOM 1024 CA THR A 72 -9.182 -7.792 8.281 1.00 0.53 C ATOM 1025 C THR A 72 -8.620 -6.858 7.205 1.00 0.65 C ATOM 1026 O THR A 72 -7.516 -7.053 6.693 1.00 1.42 O ATOM 1027 CB THR A 72 -8.185 -8.930 8.616 1.00 0.64 C ATOM 1028 OG1 THR A 72 -6.894 -8.388 8.912 1.00 1.26 O ATOM 1029 CG2 THR A 72 -8.070 -9.933 7.478 1.00 1.46 C ATOM 1030 H THR A 72 -10.613 -8.684 7.001 1.00 0.43 H ATOM 1031 HA THR A 72 -9.326 -7.210 9.181 1.00 0.60 H ATOM 1032 HB THR A 72 -8.548 -9.450 9.492 1.00 1.46 H ATOM 1033 HG1 THR A 72 -6.528 -7.991 8.107 1.00 1.47 H ATOM 1034 HG21 THR A 72 -7.354 -10.697 7.743 1.00 2.06 H ATOM 1035 HG22 THR A 72 -7.739 -9.422 6.585 1.00 1.97 H ATOM 1036 HG23 THR A 72 -9.033 -10.387 7.297 1.00 1.93 H ATOM 1037 N ASP A 73 -9.417 -5.851 6.854 1.00 0.59 N ATOM 1038 CA ASP A 73 -8.983 -4.759 5.976 1.00 0.55 C ATOM 1039 C ASP A 73 -8.628 -5.248 4.576 1.00 0.43 C ATOM 1040 O ASP A 73 -7.867 -4.595 3.860 1.00 0.47 O ATOM 1041 CB ASP A 73 -7.791 -4.013 6.590 1.00 0.69 C ATOM 1042 CG ASP A 73 -8.140 -3.338 7.902 1.00 1.25 C ATOM 1043 OD1 ASP A 73 -8.904 -2.353 7.888 1.00 1.66 O ATOM 1044 OD2 ASP A 73 -7.638 -3.779 8.955 1.00 1.50 O1- ATOM 1045 H ASP A 73 -10.334 -5.836 7.202 1.00 1.12 H ATOM 1046 HA ASP A 73 -9.809 -4.069 5.893 1.00 0.57 H ATOM 1047 HB2 ASP A 73 -6.991 -4.716 6.771 1.00 0.89 H ATOM 1048 HB3 ASP A 73 -7.452 -3.259 5.895 1.00 0.83 H ATOM 1049 N TYR A 74 -9.188 -6.396 4.199 1.00 0.33 N ATOM 1050 CA TYR A 74 -8.988 -6.972 2.869 1.00 0.28 C ATOM 1051 C TYR A 74 -7.517 -7.270 2.603 1.00 0.35 C ATOM 1052 O TYR A 74 -7.036 -7.126 1.480 1.00 0.37 O ATOM 1053 CB TYR A 74 -9.547 -6.051 1.781 1.00 0.32 C ATOM 1054 CG TYR A 74 -11.046 -5.900 1.843 1.00 0.36 C ATOM 1055 CD1 TYR A 74 -11.885 -6.930 1.446 1.00 0.41 C ATOM 1056 CD2 TYR A 74 -11.619 -4.719 2.292 1.00 0.44 C ATOM 1057 CE1 TYR A 74 -13.256 -6.787 1.492 1.00 0.50 C ATOM 1058 CE2 TYR A 74 -12.990 -4.568 2.344 1.00 0.54 C ATOM 1059 CZ TYR A 74 -13.806 -5.636 1.973 1.00 0.57 C ATOM 1060 OH TYR A 74 -15.171 -5.458 1.988 1.00 0.68 O ATOM 1061 H TYR A 74 -9.745 -6.882 4.843 1.00 0.32 H ATOM 1062 HA TYR A 74 -9.533 -7.905 2.842 1.00 0.24 H ATOM 1063 HB2 TYR A 74 -9.112 -5.069 1.891 1.00 0.35 H ATOM 1064 HB3 TYR A 74 -9.291 -6.451 0.810 1.00 0.35 H ATOM 1065 HD1 TYR A 74 -11.452 -7.855 1.095 1.00 0.42 H ATOM 1066 HD2 TYR A 74 -10.976 -3.908 2.606 1.00 0.47 H ATOM 1067 HE1 TYR A 74 -13.893 -7.600 1.178 1.00 0.57 H ATOM 1068 HE2 TYR A 74 -13.416 -3.642 2.697 1.00 0.63 H ATOM 1069 HH TYR A 74 -15.567 -6.265 2.346 1.00 1.20 H ATOM 1070 N VAL A 75 -6.809 -7.683 3.638 1.00 0.45 N ATOM 1071 CA VAL A 75 -5.409 -8.042 3.507 1.00 0.57 C ATOM 1072 C VAL A 75 -5.016 -9.016 4.612 1.00 0.62 C ATOM 1073 O VAL A 75 -5.412 -8.848 5.764 1.00 0.66 O ATOM 1074 CB VAL A 75 -4.502 -6.787 3.535 1.00 0.72 C ATOM 1075 CG1 VAL A 75 -4.669 -6.014 4.834 1.00 1.12 C ATOM 1076 CG2 VAL A 75 -3.044 -7.163 3.308 1.00 1.38 C ATOM 1077 H VAL A 75 -7.234 -7.740 4.520 1.00 0.49 H ATOM 1078 HA VAL A 75 -5.281 -8.531 2.553 1.00 0.59 H ATOM 1079 HB VAL A 75 -4.811 -6.139 2.727 1.00 1.13 H ATOM 1080 HG11 VAL A 75 -4.016 -5.155 4.829 1.00 1.63 H ATOM 1081 HG12 VAL A 75 -4.417 -6.652 5.668 1.00 1.69 H ATOM 1082 HG13 VAL A 75 -5.694 -5.686 4.929 1.00 1.57 H ATOM 1083 HG21 VAL A 75 -2.719 -7.837 4.087 1.00 1.62 H ATOM 1084 HG22 VAL A 75 -2.434 -6.272 3.325 1.00 1.91 H ATOM 1085 HG23 VAL A 75 -2.943 -7.648 2.348 1.00 2.03 H ATOM 1156 N ARG A 81 4.033 -12.493 1.891 1.00 0.61 N ATOM 1157 CA ARG A 81 4.169 -11.771 0.632 1.00 0.73 C ATOM 1158 C ARG A 81 3.994 -10.280 0.863 1.00 0.72 C ATOM 1159 O ARG A 81 4.588 -9.457 0.166 1.00 0.96 O ATOM 1160 CB ARG A 81 3.152 -12.273 -0.394 1.00 0.87 C ATOM 1161 CG ARG A 81 3.400 -13.703 -0.847 1.00 1.31 C ATOM 1162 CD ARG A 81 2.209 -14.259 -1.611 1.00 1.36 C ATOM 1163 NE ARG A 81 1.050 -14.453 -0.744 1.00 1.55 N ATOM 1164 CZ ARG A 81 -0.033 -15.148 -1.091 1.00 1.73 C ATOM 1165 NH1 ARG A 81 -0.125 -15.686 -2.303 1.00 1.75 N1+ ATOM 1166 NH2 ARG A 81 -1.020 -15.306 -0.221 1.00 2.33 N ATOM 1167 H ARG A 81 3.218 -13.024 2.056 1.00 0.67 H ATOM 1168 HA ARG A 81 5.164 -11.946 0.256 1.00 0.82 H ATOM 1169 HB2 ARG A 81 2.163 -12.221 0.039 1.00 1.12 H ATOM 1170 HB3 ARG A 81 3.186 -11.631 -1.263 1.00 1.38 H ATOM 1171 HG2 ARG A 81 4.268 -13.722 -1.490 1.00 1.85 H ATOM 1172 HG3 ARG A 81 3.578 -14.320 0.022 1.00 1.67 H ATOM 1173 HD2 ARG A 81 1.944 -13.566 -2.396 1.00 1.74 H ATOM 1174 HD3 ARG A 81 2.485 -15.209 -2.047 1.00 1.46 H ATOM 1175 HE ARG A 81 1.090 -14.051 0.162 1.00 1.91 H ATOM 1176 HH11 ARG A 81 0.619 -15.567 -2.965 1.00 1.86 H ATOM 1177 HH12 ARG A 81 -0.931 -16.226 -2.558 1.00 1.99 H ATOM 1178 HH21 ARG A 81 -0.948 -14.904 0.704 1.00 2.76 H ATOM 1179 HH22 ARG A 81 -1.841 -15.827 -0.472 1.00 2.50 H ATOM 1180 N VAL A 82 3.197 -9.945 1.866 1.00 0.60 N ATOM 1181 CA VAL A 82 2.947 -8.558 2.209 1.00 0.62 C ATOM 1182 C VAL A 82 3.989 -8.071 3.208 1.00 0.58 C ATOM 1183 O VAL A 82 4.096 -8.591 4.321 1.00 0.74 O ATOM 1184 CB VAL A 82 1.538 -8.366 2.805 1.00 0.69 C ATOM 1185 CG1 VAL A 82 1.241 -6.888 3.013 1.00 0.77 C ATOM 1186 CG2 VAL A 82 0.479 -9.007 1.917 1.00 0.78 C ATOM 1187 H VAL A 82 2.777 -10.651 2.398 1.00 0.66 H ATOM 1188 HA VAL A 82 3.022 -7.971 1.307 1.00 0.67 H ATOM 1189 HB VAL A 82 1.510 -8.855 3.769 1.00 0.70 H ATOM 1190 HG11 VAL A 82 0.240 -6.773 3.402 1.00 1.45 H ATOM 1191 HG12 VAL A 82 1.322 -6.368 2.070 1.00 1.13 H ATOM 1192 HG13 VAL A 82 1.950 -6.473 3.714 1.00 1.19 H ATOM 1193 HG21 VAL A 82 -0.497 -8.860 2.356 1.00 0.97 H ATOM 1194 HG22 VAL A 82 0.676 -10.065 1.826 1.00 1.28 H ATOM 1195 HG23 VAL A 82 0.506 -8.550 0.938 1.00 1.41 H ATOM 1196 N VAL A 83 4.757 -7.078 2.795 1.00 0.42 N ATOM 1197 CA VAL A 83 5.803 -6.511 3.629 1.00 0.42 C ATOM 1198 C VAL A 83 5.193 -5.633 4.712 1.00 0.38 C ATOM 1199 O VAL A 83 5.574 -5.703 5.880 1.00 0.43 O ATOM 1200 CB VAL A 83 6.790 -5.676 2.785 1.00 0.47 C ATOM 1201 CG1 VAL A 83 7.886 -5.078 3.650 1.00 0.65 C ATOM 1202 CG2 VAL A 83 7.392 -6.523 1.680 1.00 0.91 C ATOM 1203 H VAL A 83 4.610 -6.706 1.894 1.00 0.38 H ATOM 1204 HA VAL A 83 6.344 -7.323 4.092 1.00 0.49 H ATOM 1205 HB VAL A 83 6.243 -4.865 2.326 1.00 0.82 H ATOM 1206 HG11 VAL A 83 7.444 -4.448 4.406 1.00 1.34 H ATOM 1207 HG12 VAL A 83 8.549 -4.489 3.031 1.00 1.30 H ATOM 1208 HG13 VAL A 83 8.445 -5.871 4.122 1.00 1.08 H ATOM 1209 HG21 VAL A 83 6.610 -6.862 1.017 1.00 1.50 H ATOM 1210 HG22 VAL A 83 7.892 -7.378 2.112 1.00 1.51 H ATOM 1211 HG23 VAL A 83 8.105 -5.932 1.123 1.00 1.23 H ATOM 1212 N ALA A 84 4.228 -4.825 4.310 1.00 0.35 N ATOM 1213 CA ALA A 84 3.554 -3.912 5.215 1.00 0.34 C ATOM 1214 C ALA A 84 2.223 -3.493 4.617 1.00 0.31 C ATOM 1215 O ALA A 84 2.042 -3.562 3.398 1.00 0.31 O ATOM 1216 CB ALA A 84 4.425 -2.693 5.482 1.00 0.36 C ATOM 1217 H ALA A 84 3.946 -4.852 3.373 1.00 0.37 H ATOM 1218 HA ALA A 84 3.381 -4.424 6.150 1.00 0.35 H ATOM 1219 HB1 ALA A 84 5.357 -3.006 5.928 1.00 1.15 H ATOM 1220 HB2 ALA A 84 3.911 -2.024 6.156 1.00 0.95 H ATOM 1221 HB3 ALA A 84 4.625 -2.185 4.551 1.00 1.12 H ATOM 1222 N HIS A 85 1.293 -3.073 5.461 1.00 0.30 N ATOM 1223 CA HIS A 85 -0.021 -2.662 4.988 1.00 0.28 C ATOM 1224 C HIS A 85 -0.635 -1.632 5.922 1.00 0.28 C ATOM 1225 O HIS A 85 -0.357 -1.620 7.120 1.00 0.36 O ATOM 1226 CB HIS A 85 -0.963 -3.871 4.877 1.00 0.31 C ATOM 1227 CG HIS A 85 -1.375 -4.466 6.197 1.00 0.78 C ATOM 1228 ND1 HIS A 85 -2.563 -4.152 6.822 1.00 0.86 N ATOM 1229 CD2 HIS A 85 -0.757 -5.363 7.004 1.00 1.53 C ATOM 1230 CE1 HIS A 85 -2.656 -4.828 7.951 1.00 1.53 C ATOM 1231 NE2 HIS A 85 -1.575 -5.571 8.088 1.00 1.96 N ATOM 1232 H HIS A 85 1.492 -3.034 6.425 1.00 0.33 H ATOM 1233 HA HIS A 85 0.101 -2.217 4.013 1.00 0.27 H ATOM 1234 HB2 HIS A 85 -1.864 -3.564 4.366 1.00 0.53 H ATOM 1235 HB3 HIS A 85 -0.478 -4.643 4.299 1.00 0.79 H ATOM 1236 HD1 HIS A 85 -3.235 -3.511 6.491 1.00 0.68 H ATOM 1237 HD2 HIS A 85 0.204 -5.827 6.831 1.00 1.78 H ATOM 1238 HE1 HIS A 85 -3.483 -4.784 8.645 1.00 1.75 H ATOM 1239 HE2 HIS A 85 -1.291 -5.988 8.931 1.00 2.53 H ATOM 1240 N THR A 86 -1.458 -0.767 5.363 1.00 0.25 N ATOM 1241 CA THR A 86 -2.273 0.124 6.161 1.00 0.27 C ATOM 1242 C THR A 86 -3.597 -0.566 6.466 1.00 0.31 C ATOM 1243 O THR A 86 -3.840 -1.683 5.995 1.00 0.50 O ATOM 1244 CB THR A 86 -2.550 1.453 5.425 1.00 0.24 C ATOM 1245 OG1 THR A 86 -3.275 1.199 4.215 1.00 0.27 O ATOM 1246 CG2 THR A 86 -1.256 2.185 5.096 1.00 0.29 C ATOM 1247 H THR A 86 -1.520 -0.723 4.383 1.00 0.25 H ATOM 1248 HA THR A 86 -1.753 0.334 7.086 1.00 0.29 H ATOM 1249 HB THR A 86 -3.148 2.083 6.066 1.00 0.26 H ATOM 1250 HG1 THR A 86 -4.221 1.292 4.386 1.00 0.75 H ATOM 1251 HG21 THR A 86 -0.664 2.291 5.993 1.00 0.87 H ATOM 1252 HG22 THR A 86 -1.488 3.163 4.701 1.00 0.95 H ATOM 1253 HG23 THR A 86 -0.703 1.622 4.361 1.00 0.93 H ATOM 1254 N LYS A 87 -4.444 0.075 7.250 1.00 0.29 N ATOM 1255 CA LYS A 87 -5.782 -0.441 7.478 1.00 0.32 C ATOM 1256 C LYS A 87 -6.733 0.132 6.434 1.00 0.29 C ATOM 1257 O LYS A 87 -6.401 1.104 5.750 1.00 0.35 O ATOM 1258 CB LYS A 87 -6.264 -0.113 8.896 1.00 0.40 C ATOM 1259 CG LYS A 87 -6.193 1.361 9.252 1.00 1.07 C ATOM 1260 CD LYS A 87 -6.821 1.641 10.608 1.00 1.29 C ATOM 1261 CE LYS A 87 -6.124 0.886 11.733 1.00 1.83 C ATOM 1262 NZ LYS A 87 -4.706 1.300 11.895 1.00 2.85 N1+ ATOM 1263 H LYS A 87 -4.168 0.915 7.677 1.00 0.36 H ATOM 1264 HA LYS A 87 -5.744 -1.514 7.358 1.00 0.38 H ATOM 1265 HB2 LYS A 87 -7.290 -0.434 8.997 1.00 0.79 H ATOM 1266 HB3 LYS A 87 -5.657 -0.659 9.603 1.00 0.87 H ATOM 1267 HG2 LYS A 87 -5.158 1.665 9.276 1.00 1.64 H ATOM 1268 HG3 LYS A 87 -6.719 1.927 8.498 1.00 1.57 H ATOM 1269 HD2 LYS A 87 -6.758 2.698 10.809 1.00 1.84 H ATOM 1270 HD3 LYS A 87 -7.857 1.341 10.577 1.00 1.73 H ATOM 1271 HE2 LYS A 87 -6.651 1.078 12.655 1.00 2.18 H ATOM 1272 HE3 LYS A 87 -6.159 -0.171 11.516 1.00 2.18 H ATOM 1273 HZ1 LYS A 87 -4.272 0.783 12.689 1.00 3.32 H ATOM 1274 HZ2 LYS A 87 -4.649 2.319 12.090 1.00 3.32 H ATOM 1275 HZ3 LYS A 87 -4.169 1.095 11.030 1.00 3.19 H ATOM 1276 N LEU A 88 -7.900 -0.481 6.306 1.00 0.30 N ATOM 1277 CA LEU A 88 -8.878 -0.082 5.307 1.00 0.37 C ATOM 1278 C LEU A 88 -9.636 1.137 5.813 1.00 0.36 C ATOM 1279 O LEU A 88 -10.544 1.023 6.640 1.00 0.50 O ATOM 1280 CB LEU A 88 -9.825 -1.264 5.024 1.00 0.52 C ATOM 1281 CG LEU A 88 -10.611 -1.224 3.704 1.00 0.56 C ATOM 1282 CD1 LEU A 88 -11.749 -0.218 3.761 1.00 1.24 C ATOM 1283 CD2 LEU A 88 -9.685 -0.914 2.535 1.00 0.92 C ATOM 1284 H LEU A 88 -8.123 -1.219 6.921 1.00 0.33 H ATOM 1285 HA LEU A 88 -8.348 0.179 4.404 1.00 0.37 H ATOM 1286 HB2 LEU A 88 -9.235 -2.168 5.031 1.00 1.08 H ATOM 1287 HB3 LEU A 88 -10.535 -1.321 5.836 1.00 0.96 H ATOM 1288 HG LEU A 88 -11.045 -2.198 3.532 1.00 1.28 H ATOM 1289 HD11 LEU A 88 -11.353 0.764 3.967 1.00 1.77 H ATOM 1290 HD12 LEU A 88 -12.440 -0.500 4.541 1.00 1.65 H ATOM 1291 HD13 LEU A 88 -12.264 -0.207 2.813 1.00 1.90 H ATOM 1292 HD21 LEU A 88 -9.233 0.055 2.679 1.00 1.61 H ATOM 1293 HD22 LEU A 88 -10.253 -0.912 1.618 1.00 1.43 H ATOM 1294 HD23 LEU A 88 -8.913 -1.665 2.478 1.00 1.41 H ATOM 1295 N ILE A 89 -9.250 2.303 5.321 1.00 0.31 N ATOM 1296 CA ILE A 89 -9.763 3.562 5.840 1.00 0.31 C ATOM 1297 C ILE A 89 -10.802 4.182 4.918 1.00 0.33 C ATOM 1298 O ILE A 89 -10.742 4.037 3.693 1.00 0.35 O ATOM 1299 CB ILE A 89 -8.628 4.584 6.068 1.00 0.27 C ATOM 1300 CG1 ILE A 89 -7.784 4.753 4.796 1.00 0.23 C ATOM 1301 CG2 ILE A 89 -7.762 4.158 7.243 1.00 0.28 C ATOM 1302 CD1 ILE A 89 -6.716 5.823 4.907 1.00 0.21 C ATOM 1303 H ILE A 89 -8.606 2.316 4.577 1.00 0.34 H ATOM 1304 HA ILE A 89 -10.225 3.360 6.794 1.00 0.33 H ATOM 1305 HB ILE A 89 -9.079 5.533 6.316 1.00 0.29 H ATOM 1306 HG12 ILE A 89 -7.291 3.819 4.572 1.00 0.23 H ATOM 1307 HG13 ILE A 89 -8.435 5.016 3.975 1.00 0.25 H ATOM 1308 HG21 ILE A 89 -7.300 3.208 7.022 1.00 1.00 H ATOM 1309 HG22 ILE A 89 -8.377 4.062 8.126 1.00 1.10 H ATOM 1310 HG23 ILE A 89 -6.996 4.900 7.414 1.00 0.97 H ATOM 1311 HD11 ILE A 89 -6.035 5.571 5.705 1.00 1.06 H ATOM 1312 HD12 ILE A 89 -7.181 6.774 5.120 1.00 1.01 H ATOM 1313 HD13 ILE A 89 -6.174 5.887 3.976 1.00 1.03 H ATOM 1314 N GLY A 90 -11.760 4.869 5.528 1.00 0.34 N ATOM 1315 CA GLY A 90 -12.755 5.602 4.776 1.00 0.37 C ATOM 1316 C GLY A 90 -12.409 7.071 4.675 1.00 0.51 C ATOM 1317 O GLY A 90 -11.312 7.485 5.062 1.00 0.79 O ATOM 1318 H GLY A 90 -11.789 4.875 6.508 1.00 0.34 H ATOM 1319 HA2 GLY A 90 -12.819 5.187 3.778 1.00 0.41 H ATOM 1320 HA3 GLY A 90 -13.714 5.502 5.264 1.00 0.51 H ATOM 1321 N GLY A 91 -13.335 7.857 4.150 1.00 0.60 N ATOM 1322 CA GLY A 91 -13.089 9.269 3.947 1.00 0.81 C ATOM 1323 C GLY A 91 -12.955 10.029 5.249 1.00 0.57 C ATOM 1324 O GLY A 91 -13.922 10.154 6.002 1.00 0.70 O ATOM 1325 H GLY A 91 -14.208 7.474 3.903 1.00 0.72 H ATOM 1326 HA2 GLY A 91 -12.179 9.384 3.378 1.00 1.07 H ATOM 1327 HA3 GLY A 91 -13.908 9.688 3.382 1.00 1.15 H ATOM 1328 N GLY A 92 -11.757 10.529 5.520 1.00 0.54 N ATOM 1329 CA GLY A 92 -11.535 11.301 6.725 1.00 0.56 C ATOM 1330 C GLY A 92 -10.557 10.636 7.668 1.00 0.52 C ATOM 1331 O GLY A 92 -10.129 11.240 8.651 1.00 0.80 O ATOM 1332 H GLY A 92 -11.018 10.374 4.895 1.00 0.73 H ATOM 1333 HA2 GLY A 92 -11.148 12.273 6.450 1.00 0.75 H ATOM 1334 HA3 GLY A 92 -12.480 11.431 7.234 1.00 0.61 H ATOM 1335 N GLU A 93 -10.195 9.396 7.375 1.00 0.34 N ATOM 1336 CA GLU A 93 -9.266 8.663 8.222 1.00 0.27 C ATOM 1337 C GLU A 93 -7.901 8.534 7.561 1.00 0.23 C ATOM 1338 O GLU A 93 -7.779 8.617 6.334 1.00 0.29 O ATOM 1339 CB GLU A 93 -9.818 7.278 8.559 1.00 0.30 C ATOM 1340 CG GLU A 93 -10.911 7.295 9.612 1.00 0.38 C ATOM 1341 CD GLU A 93 -10.447 7.908 10.917 1.00 1.32 C ATOM 1342 OE1 GLU A 93 -9.478 7.388 11.509 1.00 1.33 O ATOM 1343 OE2 GLU A 93 -11.056 8.906 11.363 1.00 2.34 O1- ATOM 1344 H GLU A 93 -10.555 8.965 6.569 1.00 0.47 H ATOM 1345 HA GLU A 93 -9.151 9.222 9.138 1.00 0.28 H ATOM 1346 HB2 GLU A 93 -10.226 6.840 7.660 1.00 0.35 H ATOM 1347 HB3 GLU A 93 -9.009 6.658 8.919 1.00 0.34 H ATOM 1348 HG2 GLU A 93 -11.745 7.870 9.240 1.00 0.80 H ATOM 1349 HG3 GLU A 93 -11.228 6.280 9.800 1.00 0.91 H ATOM 1350 N GLU A 94 -6.881 8.348 8.389 1.00 0.21 N ATOM 1351 CA GLU A 94 -5.516 8.161 7.916 1.00 0.21 C ATOM 1352 C GLU A 94 -4.960 6.845 8.456 1.00 0.22 C ATOM 1353 O GLU A 94 -5.439 6.331 9.471 1.00 0.28 O ATOM 1354 CB GLU A 94 -4.607 9.317 8.369 1.00 0.25 C ATOM 1355 CG GLU A 94 -5.006 10.694 7.853 1.00 0.83 C ATOM 1356 CD GLU A 94 -6.155 11.312 8.624 1.00 1.27 C ATOM 1357 OE1 GLU A 94 -6.121 11.291 9.872 1.00 1.86 O ATOM 1358 OE2 GLU A 94 -7.083 11.850 7.986 1.00 1.67 O1- ATOM 1359 H GLU A 94 -7.051 8.334 9.353 1.00 0.24 H ATOM 1360 HA GLU A 94 -5.538 8.121 6.837 1.00 0.23 H ATOM 1361 HB2 GLU A 94 -4.612 9.356 9.449 1.00 0.79 H ATOM 1362 HB3 GLU A 94 -3.598 9.116 8.035 1.00 0.79 H ATOM 1363 HG2 GLU A 94 -4.153 11.351 7.930 1.00 1.45 H ATOM 1364 HG3 GLU A 94 -5.296 10.606 6.816 1.00 1.66 H ATOM 1365 N SER A 95 -3.961 6.303 7.774 1.00 0.22 N ATOM 1366 CA SER A 95 -3.293 5.086 8.222 1.00 0.27 C ATOM 1367 C SER A 95 -1.861 5.060 7.697 1.00 0.23 C ATOM 1368 O SER A 95 -1.605 5.471 6.566 1.00 0.29 O ATOM 1369 CB SER A 95 -4.067 3.847 7.750 1.00 0.37 C ATOM 1370 OG SER A 95 -3.458 2.644 8.197 1.00 1.35 O ATOM 1371 H SER A 95 -3.661 6.732 6.938 1.00 0.21 H ATOM 1372 HA SER A 95 -3.267 5.100 9.302 1.00 0.31 H ATOM 1373 HB2 SER A 95 -5.074 3.885 8.143 1.00 0.95 H ATOM 1374 HB3 SER A 95 -4.102 3.836 6.671 1.00 0.81 H ATOM 1375 HG SER A 95 -3.139 2.759 9.101 1.00 1.86 H ATOM 1376 N SER A 96 -0.932 4.589 8.517 1.00 0.28 N ATOM 1377 CA SER A 96 0.474 4.575 8.143 1.00 0.25 C ATOM 1378 C SER A 96 1.085 3.195 8.364 1.00 0.27 C ATOM 1379 O SER A 96 0.530 2.368 9.089 1.00 0.35 O ATOM 1380 CB SER A 96 1.241 5.621 8.957 1.00 0.29 C ATOM 1381 OG SER A 96 0.669 6.908 8.800 1.00 1.00 O ATOM 1382 H SER A 96 -1.196 4.236 9.392 1.00 0.41 H ATOM 1383 HA SER A 96 0.543 4.822 7.093 1.00 0.22 H ATOM 1384 HB2 SER A 96 1.212 5.354 10.004 1.00 0.79 H ATOM 1385 HB3 SER A 96 2.269 5.653 8.623 1.00 0.85 H ATOM 1386 HG SER A 96 -0.112 6.980 9.364 1.00 1.19 H ATOM 1387 N LEU A 97 2.218 2.952 7.724 1.00 0.22 N ATOM 1388 CA LEU A 97 2.955 1.711 7.901 1.00 0.25 C ATOM 1389 C LEU A 97 4.450 1.989 7.873 1.00 0.24 C ATOM 1390 O LEU A 97 4.883 3.024 7.364 1.00 0.21 O ATOM 1391 CB LEU A 97 2.574 0.698 6.807 1.00 0.26 C ATOM 1392 CG LEU A 97 2.821 1.147 5.353 1.00 0.23 C ATOM 1393 CD1 LEU A 97 4.280 0.968 4.950 1.00 0.23 C ATOM 1394 CD2 LEU A 97 1.926 0.381 4.395 1.00 0.25 C ATOM 1395 H LEU A 97 2.569 3.631 7.105 1.00 0.20 H ATOM 1396 HA LEU A 97 2.693 1.305 8.866 1.00 0.29 H ATOM 1397 HB2 LEU A 97 3.135 -0.208 6.981 1.00 0.28 H ATOM 1398 HB3 LEU A 97 1.522 0.472 6.917 1.00 0.28 H ATOM 1399 HG LEU A 97 2.579 2.198 5.266 1.00 0.22 H ATOM 1400 HD11 LEU A 97 4.913 1.518 5.631 1.00 1.00 H ATOM 1401 HD12 LEU A 97 4.425 1.338 3.948 1.00 0.99 H ATOM 1402 HD13 LEU A 97 4.538 -0.079 4.987 1.00 0.91 H ATOM 1403 HD21 LEU A 97 2.048 0.773 3.397 1.00 0.99 H ATOM 1404 HD22 LEU A 97 0.896 0.484 4.699 1.00 1.13 H ATOM 1405 HD23 LEU A 97 2.201 -0.663 4.405 1.00 0.91 H ATOM 1406 N THR A 98 5.230 1.071 8.419 1.00 0.31 N ATOM 1407 CA THR A 98 6.676 1.164 8.350 1.00 0.31 C ATOM 1408 C THR A 98 7.265 -0.134 7.823 1.00 0.32 C ATOM 1409 O THR A 98 7.009 -1.212 8.367 1.00 0.41 O ATOM 1410 CB THR A 98 7.298 1.482 9.723 1.00 0.37 C ATOM 1411 OG1 THR A 98 6.726 0.643 10.736 1.00 1.14 O ATOM 1412 CG2 THR A 98 7.100 2.943 10.090 1.00 0.79 C ATOM 1413 H THR A 98 4.826 0.312 8.886 1.00 0.37 H ATOM 1414 HA THR A 98 6.925 1.965 7.669 1.00 0.27 H ATOM 1415 HB THR A 98 8.359 1.284 9.667 1.00 0.78 H ATOM 1416 HG1 THR A 98 7.435 0.280 11.282 1.00 1.78 H ATOM 1417 HG21 THR A 98 7.518 3.127 11.067 1.00 1.25 H ATOM 1418 HG22 THR A 98 6.044 3.171 10.100 1.00 1.51 H ATOM 1419 HG23 THR A 98 7.596 3.566 9.360 1.00 1.23 H ATOM 1420 N LEU A 99 8.040 -0.033 6.760 1.00 0.30 N ATOM 1421 CA LEU A 99 8.674 -1.200 6.167 1.00 0.34 C ATOM 1422 C LEU A 99 10.183 -1.022 6.169 1.00 0.32 C ATOM 1423 O LEU A 99 10.678 0.108 6.198 1.00 0.29 O ATOM 1424 CB LEU A 99 8.147 -1.424 4.738 1.00 0.37 C ATOM 1425 CG LEU A 99 8.443 -0.309 3.724 1.00 0.37 C ATOM 1426 CD1 LEU A 99 9.766 -0.557 3.009 1.00 0.42 C ATOM 1427 CD2 LEU A 99 7.312 -0.191 2.715 1.00 0.49 C ATOM 1428 H LEU A 99 8.201 0.854 6.367 1.00 0.30 H ATOM 1429 HA LEU A 99 8.424 -2.056 6.777 1.00 0.41 H ATOM 1430 HB2 LEU A 99 8.581 -2.340 4.361 1.00 0.42 H ATOM 1431 HB3 LEU A 99 7.075 -1.553 4.793 1.00 0.44 H ATOM 1432 HG LEU A 99 8.520 0.631 4.252 1.00 0.43 H ATOM 1433 HD11 LEU A 99 9.731 -1.518 2.516 1.00 1.16 H ATOM 1434 HD12 LEU A 99 10.572 -0.549 3.726 1.00 1.02 H ATOM 1435 HD13 LEU A 99 9.928 0.217 2.273 1.00 1.08 H ATOM 1436 HD21 LEU A 99 6.404 0.106 3.222 1.00 1.13 H ATOM 1437 HD22 LEU A 99 7.160 -1.145 2.233 1.00 1.11 H ATOM 1438 HD23 LEU A 99 7.568 0.550 1.971 1.00 1.05 H ATOM 1439 N ASP A 100 10.910 -2.130 6.158 1.00 0.38 N ATOM 1440 CA ASP A 100 12.360 -2.073 6.117 1.00 0.40 C ATOM 1441 C ASP A 100 12.845 -2.200 4.675 1.00 0.38 C ATOM 1442 O ASP A 100 12.344 -3.029 3.911 1.00 0.42 O ATOM 1443 CB ASP A 100 12.986 -3.170 6.994 1.00 0.50 C ATOM 1444 CG ASP A 100 12.750 -4.573 6.474 1.00 1.26 C ATOM 1445 OD1 ASP A 100 13.546 -5.045 5.638 1.00 2.08 O1- ATOM 1446 OD2 ASP A 100 11.777 -5.217 6.919 1.00 1.72 O ATOM 1447 H ASP A 100 10.461 -3.003 6.172 1.00 0.44 H ATOM 1448 HA ASP A 100 12.651 -1.111 6.502 1.00 0.41 H ATOM 1449 HB2 ASP A 100 14.052 -3.008 7.051 1.00 0.99 H ATOM 1450 HB3 ASP A 100 12.567 -3.102 7.986 1.00 1.13 H ATOM 1451 N PRO A 101 13.812 -1.357 4.271 1.00 0.38 N ATOM 1452 CA PRO A 101 14.353 -1.363 2.906 1.00 0.41 C ATOM 1453 C PRO A 101 15.131 -2.635 2.582 1.00 0.39 C ATOM 1454 O PRO A 101 15.456 -2.897 1.422 1.00 0.43 O ATOM 1455 CB PRO A 101 15.299 -0.155 2.873 1.00 0.46 C ATOM 1456 CG PRO A 101 14.964 0.654 4.076 1.00 0.53 C ATOM 1457 CD PRO A 101 14.442 -0.313 5.098 1.00 0.43 C ATOM 1458 HA PRO A 101 13.571 -1.230 2.176 1.00 0.45 H ATOM 1459 HB2 PRO A 101 16.321 -0.500 2.904 1.00 0.60 H ATOM 1460 HB3 PRO A 101 15.134 0.408 1.964 1.00 0.60 H ATOM 1461 HG2 PRO A 101 15.854 1.145 4.448 1.00 0.87 H ATOM 1462 HG3 PRO A 101 14.206 1.386 3.829 1.00 0.67 H ATOM 1463 HD2 PRO A 101 15.256 -0.720 5.684 1.00 0.54 H ATOM 1464 HD3 PRO A 101 13.717 0.170 5.734 1.00 0.45 H ATOM 1465 N ALA A 102 15.429 -3.421 3.604 1.00 0.42 N ATOM 1466 CA ALA A 102 16.183 -4.652 3.430 1.00 0.48 C ATOM 1467 C ALA A 102 15.348 -5.696 2.702 1.00 0.46 C ATOM 1468 O ALA A 102 15.865 -6.459 1.886 1.00 0.49 O ATOM 1469 CB ALA A 102 16.647 -5.183 4.776 1.00 0.62 C ATOM 1470 H ALA A 102 15.127 -3.169 4.501 1.00 0.44 H ATOM 1471 HA ALA A 102 17.057 -4.426 2.837 1.00 0.52 H ATOM 1472 HB1 ALA A 102 17.264 -4.442 5.262 1.00 1.15 H ATOM 1473 HB2 ALA A 102 17.218 -6.087 4.629 1.00 1.23 H ATOM 1474 HB3 ALA A 102 15.789 -5.396 5.395 1.00 1.20 H ATOM 1475 N LYS A 103 14.055 -5.717 2.988 1.00 0.47 N ATOM 1476 CA LYS A 103 13.145 -6.657 2.352 1.00 0.52 C ATOM 1477 C LYS A 103 13.002 -6.349 0.862 1.00 0.52 C ATOM 1478 O LYS A 103 12.813 -7.249 0.047 1.00 0.69 O ATOM 1479 CB LYS A 103 11.775 -6.616 3.036 1.00 0.60 C ATOM 1480 CG LYS A 103 10.786 -7.650 2.514 1.00 1.28 C ATOM 1481 CD LYS A 103 11.220 -9.067 2.858 1.00 1.53 C ATOM 1482 CE LYS A 103 10.188 -10.095 2.410 1.00 2.13 C ATOM 1483 NZ LYS A 103 10.139 -10.245 0.930 1.00 2.92 N1+ ATOM 1484 H LYS A 103 13.704 -5.092 3.668 1.00 0.50 H ATOM 1485 HA LYS A 103 13.564 -7.646 2.462 1.00 0.58 H ATOM 1486 HB2 LYS A 103 11.913 -6.788 4.093 1.00 0.99 H ATOM 1487 HB3 LYS A 103 11.345 -5.636 2.896 1.00 0.88 H ATOM 1488 HG2 LYS A 103 9.821 -7.463 2.958 1.00 1.96 H ATOM 1489 HG3 LYS A 103 10.716 -7.554 1.441 1.00 1.90 H ATOM 1490 HD2 LYS A 103 12.156 -9.276 2.365 1.00 1.89 H ATOM 1491 HD3 LYS A 103 11.349 -9.143 3.927 1.00 2.01 H ATOM 1492 HE2 LYS A 103 10.437 -11.049 2.849 1.00 2.44 H ATOM 1493 HE3 LYS A 103 9.216 -9.782 2.762 1.00 2.49 H ATOM 1494 HZ1 LYS A 103 9.344 -10.860 0.662 1.00 3.51 H ATOM 1495 HZ2 LYS A 103 11.022 -10.674 0.586 1.00 3.15 H ATOM 1496 HZ3 LYS A 103 10.017 -9.317 0.471 1.00 3.29 H ATOM 1497 N LEU A 104 13.110 -5.075 0.508 1.00 0.43 N ATOM 1498 CA LEU A 104 12.960 -4.659 -0.884 1.00 0.44 C ATOM 1499 C LEU A 104 14.255 -4.858 -1.655 1.00 0.47 C ATOM 1500 O LEU A 104 14.257 -4.899 -2.886 1.00 0.51 O ATOM 1501 CB LEU A 104 12.506 -3.198 -0.981 1.00 0.43 C ATOM 1502 CG LEU A 104 10.988 -2.962 -0.888 1.00 0.70 C ATOM 1503 CD1 LEU A 104 10.420 -3.507 0.415 1.00 1.22 C ATOM 1504 CD2 LEU A 104 10.673 -1.481 -1.020 1.00 1.30 C ATOM 1505 H LEU A 104 13.304 -4.401 1.193 1.00 0.44 H ATOM 1506 HA LEU A 104 12.202 -5.287 -1.325 1.00 0.47 H ATOM 1507 HB2 LEU A 104 12.985 -2.644 -0.186 1.00 0.46 H ATOM 1508 HB3 LEU A 104 12.851 -2.804 -1.928 1.00 0.51 H ATOM 1509 HG LEU A 104 10.500 -3.479 -1.703 1.00 1.66 H ATOM 1510 HD11 LEU A 104 10.595 -4.571 0.467 1.00 1.74 H ATOM 1511 HD12 LEU A 104 9.357 -3.315 0.452 1.00 1.92 H ATOM 1512 HD13 LEU A 104 10.902 -3.022 1.250 1.00 1.59 H ATOM 1513 HD21 LEU A 104 9.605 -1.336 -0.972 1.00 1.92 H ATOM 1514 HD22 LEU A 104 11.045 -1.116 -1.967 1.00 1.86 H ATOM 1515 HD23 LEU A 104 11.146 -0.940 -0.214 1.00 1.80 H ATOM 1516 N ALA A 105 15.351 -5.002 -0.926 1.00 0.55 N ATOM 1517 CA ALA A 105 16.654 -5.241 -1.530 1.00 0.63 C ATOM 1518 C ALA A 105 16.786 -6.699 -1.953 1.00 0.72 C ATOM 1519 O ALA A 105 17.655 -7.424 -1.462 1.00 1.08 O ATOM 1520 CB ALA A 105 17.767 -4.864 -0.562 1.00 0.73 C ATOM 1521 H ALA A 105 15.280 -4.951 0.049 1.00 0.61 H ATOM 1522 HA ALA A 105 16.736 -4.612 -2.405 1.00 0.64 H ATOM 1523 HB1 ALA A 105 17.707 -5.491 0.316 1.00 1.11 H ATOM 1524 HB2 ALA A 105 17.658 -3.830 -0.272 1.00 1.40 H ATOM 1525 HB3 ALA A 105 18.725 -5.005 -1.040 1.00 1.23 H ATOM 1526 N ASP A 106 15.911 -7.125 -2.855 1.00 0.69 N ATOM 1527 CA ASP A 106 15.892 -8.511 -3.306 1.00 0.81 C ATOM 1528 C ASP A 106 15.012 -8.694 -4.540 1.00 0.82 C ATOM 1529 O ASP A 106 15.315 -9.517 -5.406 1.00 1.27 O ATOM 1530 CB ASP A 106 15.404 -9.427 -2.179 1.00 1.07 C ATOM 1531 CG ASP A 106 15.219 -10.864 -2.626 1.00 1.45 C ATOM 1532 OD1 ASP A 106 16.219 -11.524 -2.971 1.00 1.96 O ATOM 1533 OD2 ASP A 106 14.066 -11.347 -2.623 1.00 2.04 O1- ATOM 1534 H ASP A 106 15.264 -6.486 -3.227 1.00 0.83 H ATOM 1535 HA ASP A 106 16.904 -8.786 -3.561 1.00 0.87 H ATOM 1536 HB2 ASP A 106 16.127 -9.413 -1.377 1.00 1.46 H ATOM 1537 HB3 ASP A 106 14.459 -9.058 -1.811 1.00 1.43 H ATOM 1538 N GLY A 107 13.930 -7.934 -4.634 1.00 0.61 N ATOM 1539 CA GLY A 107 13.011 -8.129 -5.736 1.00 0.74 C ATOM 1540 C GLY A 107 12.332 -6.859 -6.194 1.00 0.60 C ATOM 1541 O GLY A 107 12.657 -5.765 -5.729 1.00 0.52 O ATOM 1542 H GLY A 107 13.759 -7.239 -3.965 1.00 0.67 H ATOM 1543 HA2 GLY A 107 13.556 -8.548 -6.569 1.00 0.92 H ATOM 1544 HA3 GLY A 107 12.253 -8.834 -5.431 1.00 0.94 H ATOM 1545 N ASP A 108 11.389 -7.019 -7.113 1.00 0.64 N ATOM 1546 CA ASP A 108 10.613 -5.906 -7.644 1.00 0.59 C ATOM 1547 C ASP A 108 9.300 -5.790 -6.890 1.00 0.43 C ATOM 1548 O ASP A 108 8.486 -6.716 -6.892 1.00 0.38 O ATOM 1549 CB ASP A 108 10.340 -6.108 -9.135 1.00 0.73 C ATOM 1550 CG ASP A 108 9.573 -4.955 -9.749 1.00 1.22 C ATOM 1551 OD1 ASP A 108 10.216 -3.984 -10.206 1.00 1.56 O ATOM 1552 OD2 ASP A 108 8.326 -5.012 -9.795 1.00 2.02 O1- ATOM 1553 H ASP A 108 11.198 -7.922 -7.440 1.00 0.73 H ATOM 1554 HA ASP A 108 11.183 -5.000 -7.502 1.00 0.63 H ATOM 1555 HB2 ASP A 108 11.279 -6.208 -9.657 1.00 1.07 H ATOM 1556 HB3 ASP A 108 9.761 -7.009 -9.266 1.00 1.40 H ATOM 1557 N TYR A 109 9.116 -4.674 -6.214 1.00 0.39 N ATOM 1558 CA TYR A 109 7.942 -4.473 -5.386 1.00 0.32 C ATOM 1559 C TYR A 109 6.963 -3.489 -6.012 1.00 0.30 C ATOM 1560 O TYR A 109 7.341 -2.629 -6.813 1.00 0.35 O ATOM 1561 CB TYR A 109 8.370 -4.004 -3.994 1.00 0.35 C ATOM 1562 CG TYR A 109 8.956 -5.112 -3.154 1.00 0.31 C ATOM 1563 CD1 TYR A 109 10.232 -5.588 -3.404 1.00 0.37 C ATOM 1564 CD2 TYR A 109 8.244 -5.666 -2.098 1.00 0.39 C ATOM 1565 CE1 TYR A 109 10.782 -6.587 -2.631 1.00 0.39 C ATOM 1566 CE2 TYR A 109 8.788 -6.668 -1.321 1.00 0.39 C ATOM 1567 CZ TYR A 109 10.007 -7.176 -1.625 1.00 0.34 C ATOM 1568 OH TYR A 109 10.612 -8.119 -0.818 1.00 0.40 O ATOM 1569 H TYR A 109 9.782 -3.961 -6.277 1.00 0.44 H ATOM 1570 HA TYR A 109 7.450 -5.429 -5.291 1.00 0.30 H ATOM 1571 HB2 TYR A 109 9.117 -3.230 -4.094 1.00 0.42 H ATOM 1572 HB3 TYR A 109 7.514 -3.606 -3.472 1.00 0.40 H ATOM 1573 HD1 TYR A 109 10.798 -5.167 -4.223 1.00 0.49 H ATOM 1574 HD2 TYR A 109 7.247 -5.306 -1.888 1.00 0.53 H ATOM 1575 HE1 TYR A 109 11.777 -6.942 -2.842 1.00 0.53 H ATOM 1576 HE2 TYR A 109 8.220 -7.085 -0.505 1.00 0.52 H ATOM 1577 HH TYR A 109 9.942 -8.801 -0.644 1.00 0.87 H ATOM 1578 N LYS A 110 5.699 -3.629 -5.643 1.00 0.28 N ATOM 1579 CA LYS A 110 4.664 -2.714 -6.077 1.00 0.29 C ATOM 1580 C LYS A 110 3.681 -2.484 -4.934 1.00 0.22 C ATOM 1581 O LYS A 110 3.551 -3.322 -4.041 1.00 0.25 O ATOM 1582 CB LYS A 110 3.940 -3.267 -7.316 1.00 0.39 C ATOM 1583 CG LYS A 110 3.265 -4.609 -7.085 1.00 0.62 C ATOM 1584 CD LYS A 110 2.580 -5.144 -8.342 1.00 0.67 C ATOM 1585 CE LYS A 110 1.343 -4.337 -8.732 1.00 1.21 C ATOM 1586 NZ LYS A 110 1.671 -3.163 -9.586 1.00 1.53 N1+ ATOM 1587 H LYS A 110 5.453 -4.378 -5.048 1.00 0.28 H ATOM 1588 HA LYS A 110 5.136 -1.776 -6.328 1.00 0.32 H ATOM 1589 HB2 LYS A 110 3.186 -2.556 -7.623 1.00 0.79 H ATOM 1590 HB3 LYS A 110 4.661 -3.384 -8.116 1.00 0.77 H ATOM 1591 HG2 LYS A 110 4.011 -5.323 -6.769 1.00 1.02 H ATOM 1592 HG3 LYS A 110 2.524 -4.493 -6.306 1.00 1.02 H ATOM 1593 HD2 LYS A 110 3.284 -5.110 -9.160 1.00 1.23 H ATOM 1594 HD3 LYS A 110 2.285 -6.169 -8.166 1.00 1.09 H ATOM 1595 HE2 LYS A 110 0.668 -4.981 -9.274 1.00 1.82 H ATOM 1596 HE3 LYS A 110 0.857 -3.990 -7.830 1.00 1.89 H ATOM 1597 HZ1 LYS A 110 2.260 -2.484 -9.065 1.00 2.11 H ATOM 1598 HZ2 LYS A 110 0.800 -2.684 -9.894 1.00 1.90 H ATOM 1599 HZ3 LYS A 110 2.191 -3.473 -10.431 1.00 1.84 H ATOM 1600 N PHE A 111 3.006 -1.346 -4.949 1.00 0.20 N ATOM 1601 CA PHE A 111 2.036 -1.030 -3.908 1.00 0.19 C ATOM 1602 C PHE A 111 0.652 -0.947 -4.521 1.00 0.17 C ATOM 1603 O PHE A 111 0.521 -0.666 -5.713 1.00 0.21 O ATOM 1604 CB PHE A 111 2.384 0.284 -3.192 1.00 0.22 C ATOM 1605 CG PHE A 111 2.236 1.523 -4.034 1.00 0.20 C ATOM 1606 CD1 PHE A 111 3.279 1.970 -4.825 1.00 0.19 C ATOM 1607 CD2 PHE A 111 1.051 2.246 -4.025 1.00 0.22 C ATOM 1608 CE1 PHE A 111 3.145 3.110 -5.592 1.00 0.20 C ATOM 1609 CE2 PHE A 111 0.912 3.388 -4.788 1.00 0.23 C ATOM 1610 CZ PHE A 111 1.960 3.820 -5.573 1.00 0.21 C ATOM 1611 H PHE A 111 3.147 -0.713 -5.685 1.00 0.22 H ATOM 1612 HA PHE A 111 2.046 -1.839 -3.191 1.00 0.20 H ATOM 1613 HB2 PHE A 111 1.738 0.393 -2.336 1.00 0.26 H ATOM 1614 HB3 PHE A 111 3.408 0.236 -2.852 1.00 0.25 H ATOM 1615 HD1 PHE A 111 4.207 1.416 -4.842 1.00 0.19 H ATOM 1616 HD2 PHE A 111 0.230 1.909 -3.409 1.00 0.25 H ATOM 1617 HE1 PHE A 111 3.966 3.447 -6.208 1.00 0.21 H ATOM 1618 HE2 PHE A 111 -0.016 3.941 -4.773 1.00 0.27 H ATOM 1619 HZ PHE A 111 1.855 4.712 -6.170 1.00 0.24 H ATOM 1620 N ALA A 112 -0.376 -1.199 -3.723 1.00 0.14 N ATOM 1621 CA ALA A 112 -1.734 -1.197 -4.240 1.00 0.15 C ATOM 1622 C ALA A 112 -2.776 -1.148 -3.139 1.00 0.15 C ATOM 1623 O ALA A 112 -2.472 -1.340 -1.961 1.00 0.17 O ATOM 1624 CB ALA A 112 -1.965 -2.435 -5.090 1.00 0.19 C ATOM 1625 H ALA A 112 -0.218 -1.390 -2.771 1.00 0.16 H ATOM 1626 HA ALA A 112 -1.849 -0.330 -4.874 1.00 0.16 H ATOM 1627 HB1 ALA A 112 -1.966 -3.309 -4.456 1.00 0.97 H ATOM 1628 HB2 ALA A 112 -1.176 -2.523 -5.821 1.00 0.94 H ATOM 1629 HB3 ALA A 112 -2.917 -2.354 -5.594 1.00 0.90 H ATOM 1630 N CYS A 113 -4.002 -0.877 -3.557 1.00 0.15 N ATOM 1631 CA CYS A 113 -5.168 -0.969 -2.699 1.00 0.14 C ATOM 1632 C CYS A 113 -5.819 -2.333 -2.919 1.00 0.14 C ATOM 1633 O CYS A 113 -6.135 -2.690 -4.052 1.00 0.16 O ATOM 1634 CB CYS A 113 -6.152 0.158 -3.041 1.00 0.14 C ATOM 1635 SG CYS A 113 -7.593 0.257 -1.961 1.00 0.13 S ATOM 1636 H CYS A 113 -4.125 -0.601 -4.491 1.00 0.16 H ATOM 1637 HA CYS A 113 -4.851 -0.882 -1.669 1.00 0.14 H ATOM 1638 HB2 CYS A 113 -5.640 1.103 -2.981 1.00 0.18 H ATOM 1639 HB3 CYS A 113 -6.513 0.015 -4.050 1.00 0.15 H ATOM 1640 N THR A 114 -6.002 -3.100 -1.854 1.00 0.15 N ATOM 1641 CA THR A 114 -6.499 -4.467 -1.987 1.00 0.17 C ATOM 1642 C THR A 114 -8.017 -4.546 -1.859 1.00 0.16 C ATOM 1643 O THR A 114 -8.582 -5.638 -1.748 1.00 0.21 O ATOM 1644 CB THR A 114 -5.850 -5.410 -0.954 1.00 0.21 C ATOM 1645 OG1 THR A 114 -6.042 -4.903 0.372 1.00 0.22 O ATOM 1646 CG2 THR A 114 -4.363 -5.577 -1.223 1.00 0.24 C ATOM 1647 H THR A 114 -5.801 -2.741 -0.958 1.00 0.17 H ATOM 1648 HA THR A 114 -6.223 -4.816 -2.973 1.00 0.21 H ATOM 1649 HB THR A 114 -6.323 -6.380 -1.032 1.00 0.24 H ATOM 1650 HG1 THR A 114 -6.360 -5.621 0.942 1.00 0.25 H ATOM 1651 HG21 THR A 114 -3.879 -4.613 -1.181 1.00 0.97 H ATOM 1652 HG22 THR A 114 -4.219 -6.008 -2.203 1.00 0.95 H ATOM 1653 HG23 THR A 114 -3.931 -6.229 -0.477 1.00 1.10 H ATOM 1654 N PHE A 115 -8.677 -3.394 -1.878 1.00 0.14 N ATOM 1655 CA PHE A 115 -10.134 -3.348 -1.830 1.00 0.17 C ATOM 1656 C PHE A 115 -10.704 -4.017 -3.084 1.00 0.22 C ATOM 1657 O PHE A 115 -10.216 -3.780 -4.189 1.00 0.23 O ATOM 1658 CB PHE A 115 -10.609 -1.891 -1.729 1.00 0.15 C ATOM 1659 CG PHE A 115 -12.075 -1.736 -1.418 1.00 0.17 C ATOM 1660 CD1 PHE A 115 -12.529 -1.731 -0.108 1.00 0.17 C ATOM 1661 CD2 PHE A 115 -13.000 -1.608 -2.440 1.00 0.23 C ATOM 1662 CE1 PHE A 115 -13.875 -1.603 0.174 1.00 0.20 C ATOM 1663 CE2 PHE A 115 -14.346 -1.478 -2.165 1.00 0.26 C ATOM 1664 CZ PHE A 115 -14.775 -1.425 -0.834 1.00 0.24 C ATOM 1665 H PHE A 115 -8.172 -2.554 -1.934 1.00 0.14 H ATOM 1666 HA PHE A 115 -10.459 -3.892 -0.957 1.00 0.19 H ATOM 1667 HB2 PHE A 115 -10.055 -1.396 -0.947 1.00 0.14 H ATOM 1668 HB3 PHE A 115 -10.413 -1.393 -2.668 1.00 0.14 H ATOM 1669 HD1 PHE A 115 -11.818 -1.831 0.699 1.00 0.17 H ATOM 1670 HD2 PHE A 115 -12.660 -1.604 -3.464 1.00 0.26 H ATOM 1671 HE1 PHE A 115 -14.215 -1.600 1.199 1.00 0.22 H ATOM 1672 HE2 PHE A 115 -15.056 -1.380 -2.972 1.00 0.32 H ATOM 1673 HZ PHE A 115 -15.822 -1.301 -0.607 1.00 0.27 H ATOM 1674 N PRO A 116 -11.722 -4.886 -2.922 1.00 0.30 N ATOM 1675 CA PRO A 116 -12.304 -5.659 -4.032 1.00 0.37 C ATOM 1676 C PRO A 116 -12.692 -4.798 -5.229 1.00 0.31 C ATOM 1677 O PRO A 116 -13.669 -4.048 -5.182 1.00 0.30 O ATOM 1678 CB PRO A 116 -13.554 -6.288 -3.414 1.00 0.46 C ATOM 1679 CG PRO A 116 -13.243 -6.384 -1.965 1.00 0.49 C ATOM 1680 CD PRO A 116 -12.388 -5.189 -1.642 1.00 0.37 C ATOM 1681 HA PRO A 116 -11.632 -6.440 -4.359 1.00 0.43 H ATOM 1682 HB2 PRO A 116 -14.408 -5.649 -3.595 1.00 0.46 H ATOM 1683 HB3 PRO A 116 -13.725 -7.263 -3.847 1.00 0.54 H ATOM 1684 HG2 PRO A 116 -14.158 -6.359 -1.389 1.00 0.55 H ATOM 1685 HG3 PRO A 116 -12.701 -7.297 -1.768 1.00 0.54 H ATOM 1686 HD2 PRO A 116 -13.002 -4.358 -1.321 1.00 0.37 H ATOM 1687 HD3 PRO A 116 -11.663 -5.442 -0.880 1.00 0.37 H ATOM 1688 N GLY A 117 -11.919 -4.917 -6.297 1.00 0.34 N ATOM 1689 CA GLY A 117 -12.194 -4.171 -7.505 1.00 0.33 C ATOM 1690 C GLY A 117 -11.223 -3.027 -7.704 1.00 0.33 C ATOM 1691 O GLY A 117 -10.971 -2.607 -8.834 1.00 0.50 O ATOM 1692 H GLY A 117 -11.145 -5.521 -6.262 1.00 0.39 H ATOM 1693 HA2 GLY A 117 -12.128 -4.841 -8.353 1.00 0.39 H ATOM 1694 HA3 GLY A 117 -13.198 -3.774 -7.450 1.00 0.32 H ATOM 1695 N HIS A 118 -10.660 -2.540 -6.608 1.00 0.24 N ATOM 1696 CA HIS A 118 -9.753 -1.397 -6.645 1.00 0.23 C ATOM 1697 C HIS A 118 -8.356 -1.816 -7.098 1.00 0.29 C ATOM 1698 O HIS A 118 -7.689 -1.083 -7.831 1.00 0.38 O ATOM 1699 CB HIS A 118 -9.658 -0.731 -5.265 1.00 0.20 C ATOM 1700 CG HIS A 118 -10.868 0.066 -4.856 1.00 0.16 C ATOM 1701 ND1 HIS A 118 -10.815 0.916 -3.776 1.00 0.18 N ATOM 1702 CD2 HIS A 118 -12.109 0.117 -5.399 1.00 0.19 C ATOM 1703 CE1 HIS A 118 -12.014 1.460 -3.682 1.00 0.20 C ATOM 1704 NE2 HIS A 118 -12.837 1.006 -4.645 1.00 0.18 N ATOM 1705 H HIS A 118 -10.851 -2.967 -5.741 1.00 0.30 H ATOM 1706 HA HIS A 118 -10.149 -0.683 -7.351 1.00 0.25 H ATOM 1707 HB2 HIS A 118 -9.504 -1.494 -4.519 1.00 0.23 H ATOM 1708 HB3 HIS A 118 -8.808 -0.064 -5.261 1.00 0.21 H ATOM 1709 HD2 HIS A 118 -12.458 -0.424 -6.265 1.00 0.25 H ATOM 1710 HE1 HIS A 118 -12.298 2.178 -2.926 1.00 0.27 H ATOM 1711 HE2 HIS A 118 -13.814 1.087 -4.644 1.00 0.30 H ATOM 1712 N GLY A 119 -7.937 -3.010 -6.682 1.00 0.33 N ATOM 1713 CA GLY A 119 -6.569 -3.464 -6.904 1.00 0.42 C ATOM 1714 C GLY A 119 -6.148 -3.476 -8.361 1.00 0.49 C ATOM 1715 O GLY A 119 -4.978 -3.253 -8.673 1.00 0.61 O ATOM 1716 H GLY A 119 -8.567 -3.595 -6.208 1.00 0.39 H ATOM 1717 HA2 GLY A 119 -5.901 -2.812 -6.363 1.00 0.45 H ATOM 1718 HA3 GLY A 119 -6.471 -4.466 -6.508 1.00 0.48 H ATOM 1719 N ALA A 120 -7.100 -3.710 -9.252 1.00 0.53 N ATOM 1720 CA ALA A 120 -6.805 -3.826 -10.674 1.00 0.67 C ATOM 1721 C ALA A 120 -6.404 -2.483 -11.282 1.00 0.64 C ATOM 1722 O ALA A 120 -5.799 -2.436 -12.355 1.00 0.75 O ATOM 1723 CB ALA A 120 -8.005 -4.400 -11.406 1.00 0.83 C ATOM 1724 H ALA A 120 -8.024 -3.810 -8.945 1.00 0.54 H ATOM 1725 HA ALA A 120 -5.984 -4.518 -10.785 1.00 0.76 H ATOM 1726 HB1 ALA A 120 -8.278 -5.347 -10.964 1.00 1.58 H ATOM 1727 HB2 ALA A 120 -7.755 -4.546 -12.445 1.00 1.06 H ATOM 1728 HB3 ALA A 120 -8.835 -3.715 -11.329 1.00 1.27 H ATOM 1729 N LEU A 121 -6.731 -1.397 -10.595 1.00 0.56 N ATOM 1730 CA LEU A 121 -6.435 -0.061 -11.095 1.00 0.64 C ATOM 1731 C LEU A 121 -5.526 0.706 -10.135 1.00 0.51 C ATOM 1732 O LEU A 121 -4.623 1.429 -10.562 1.00 0.69 O ATOM 1733 CB LEU A 121 -7.734 0.725 -11.317 1.00 0.82 C ATOM 1734 CG LEU A 121 -7.546 2.169 -11.793 1.00 1.38 C ATOM 1735 CD1 LEU A 121 -7.078 2.202 -13.241 1.00 2.13 C ATOM 1736 CD2 LEU A 121 -8.834 2.962 -11.625 1.00 1.76 C ATOM 1737 H LEU A 121 -7.180 -1.499 -9.727 1.00 0.53 H ATOM 1738 HA LEU A 121 -5.925 -0.170 -12.041 1.00 0.76 H ATOM 1739 HB2 LEU A 121 -8.327 0.200 -12.055 1.00 1.30 H ATOM 1740 HB3 LEU A 121 -8.283 0.746 -10.387 1.00 1.22 H ATOM 1741 HG LEU A 121 -6.783 2.639 -11.190 1.00 2.05 H ATOM 1742 HD11 LEU A 121 -6.981 3.228 -13.563 1.00 2.59 H ATOM 1743 HD12 LEU A 121 -7.798 1.695 -13.864 1.00 2.48 H ATOM 1744 HD13 LEU A 121 -6.121 1.708 -13.321 1.00 2.62 H ATOM 1745 HD21 LEU A 121 -8.673 3.983 -11.939 1.00 2.22 H ATOM 1746 HD22 LEU A 121 -9.133 2.948 -10.586 1.00 2.39 H ATOM 1747 HD23 LEU A 121 -9.612 2.520 -12.229 1.00 1.93 H ATOM 1748 N MET A 122 -5.758 0.539 -8.840 1.00 0.34 N ATOM 1749 CA MET A 122 -5.041 1.309 -7.834 1.00 0.22 C ATOM 1750 C MET A 122 -3.778 0.585 -7.403 1.00 0.17 C ATOM 1751 O MET A 122 -3.706 0.038 -6.302 1.00 0.21 O ATOM 1752 CB MET A 122 -5.932 1.570 -6.613 1.00 0.27 C ATOM 1753 CG MET A 122 -7.308 2.094 -6.974 1.00 0.65 C ATOM 1754 SD MET A 122 -8.275 2.614 -5.548 1.00 0.24 S ATOM 1755 CE MET A 122 -9.847 2.900 -6.351 1.00 0.54 C ATOM 1756 H MET A 122 -6.420 -0.129 -8.550 1.00 0.45 H ATOM 1757 HA MET A 122 -4.765 2.255 -8.278 1.00 0.27 H ATOM 1758 HB2 MET A 122 -6.053 0.646 -6.068 1.00 0.60 H ATOM 1759 HB3 MET A 122 -5.449 2.295 -5.976 1.00 0.65 H ATOM 1760 HG2 MET A 122 -7.191 2.941 -7.633 1.00 1.15 H ATOM 1761 HG3 MET A 122 -7.848 1.314 -7.489 1.00 1.15 H ATOM 1762 HE1 MET A 122 -9.753 3.727 -7.039 1.00 1.27 H ATOM 1763 HE2 MET A 122 -10.597 3.128 -5.614 1.00 1.17 H ATOM 1764 HE3 MET A 122 -10.137 2.013 -6.894 1.00 1.16 H ATOM 1765 N ASN A 123 -2.791 0.575 -8.280 1.00 0.20 N ATOM 1766 CA ASN A 123 -1.507 -0.027 -7.972 1.00 0.25 C ATOM 1767 C ASN A 123 -0.390 0.727 -8.674 1.00 0.22 C ATOM 1768 O ASN A 123 -0.588 1.293 -9.750 1.00 0.34 O ATOM 1769 CB ASN A 123 -1.474 -1.514 -8.365 1.00 0.44 C ATOM 1770 CG ASN A 123 -1.675 -1.750 -9.845 1.00 0.54 C ATOM 1771 OD1 ASN A 123 -0.718 -1.750 -10.617 1.00 1.13 O ATOM 1772 ND2 ASN A 123 -2.912 -1.990 -10.246 1.00 0.58 N ATOM 1773 H ASN A 123 -2.928 0.988 -9.160 1.00 0.24 H ATOM 1774 HA ASN A 123 -1.358 0.057 -6.906 1.00 0.29 H ATOM 1775 HB2 ASN A 123 -0.514 -1.928 -8.090 1.00 0.96 H ATOM 1776 HB3 ASN A 123 -2.253 -2.038 -7.826 1.00 0.72 H ATOM 1777 HD21 ASN A 123 -3.626 -2.011 -9.569 1.00 0.71 H ATOM 1778 HD22 ASN A 123 -3.067 -2.138 -11.203 1.00 0.90 H ATOM 1779 N GLY A 124 0.774 0.742 -8.050 1.00 0.19 N ATOM 1780 CA GLY A 124 1.913 1.432 -8.614 1.00 0.21 C ATOM 1781 C GLY A 124 3.217 0.753 -8.257 1.00 0.23 C ATOM 1782 O GLY A 124 3.214 -0.365 -7.745 1.00 0.31 O ATOM 1783 H GLY A 124 0.862 0.270 -7.189 1.00 0.25 H ATOM 1784 HA2 GLY A 124 1.812 1.453 -9.691 1.00 0.27 H ATOM 1785 HA3 GLY A 124 1.929 2.446 -8.242 1.00 0.24 H ATOM 1786 N LYS A 125 4.326 1.437 -8.503 1.00 0.24 N ATOM 1787 CA LYS A 125 5.649 0.862 -8.298 1.00 0.28 C ATOM 1788 C LYS A 125 6.293 1.406 -7.029 1.00 0.25 C ATOM 1789 O LYS A 125 6.151 2.582 -6.708 1.00 0.26 O ATOM 1790 CB LYS A 125 6.547 1.188 -9.494 1.00 0.40 C ATOM 1791 CG LYS A 125 6.073 0.585 -10.807 1.00 1.21 C ATOM 1792 CD LYS A 125 6.312 -0.914 -10.862 1.00 1.31 C ATOM 1793 CE LYS A 125 7.796 -1.241 -10.828 1.00 1.41 C ATOM 1794 NZ LYS A 125 8.048 -2.681 -11.066 1.00 1.48 N1+ ATOM 1795 H LYS A 125 4.255 2.365 -8.818 1.00 0.28 H ATOM 1796 HA LYS A 125 5.544 -0.207 -8.213 1.00 0.30 H ATOM 1797 HB2 LYS A 125 6.590 2.260 -9.612 1.00 0.96 H ATOM 1798 HB3 LYS A 125 7.541 0.819 -9.291 1.00 0.95 H ATOM 1799 HG2 LYS A 125 5.015 0.772 -10.914 1.00 1.88 H ATOM 1800 HG3 LYS A 125 6.607 1.056 -11.620 1.00 1.80 H ATOM 1801 HD2 LYS A 125 5.833 -1.379 -10.012 1.00 1.50 H ATOM 1802 HD3 LYS A 125 5.887 -1.304 -11.775 1.00 1.88 H ATOM 1803 HE2 LYS A 125 8.298 -0.666 -11.591 1.00 2.05 H ATOM 1804 HE3 LYS A 125 8.191 -0.972 -9.859 1.00 1.76 H ATOM 1805 HZ1 LYS A 125 9.072 -2.877 -11.043 1.00 1.75 H ATOM 1806 HZ2 LYS A 125 7.674 -2.966 -11.991 1.00 1.94 H ATOM 1807 HZ3 LYS A 125 7.589 -3.256 -10.328 1.00 1.89 H ATOM 1808 N VAL A 126 6.993 0.544 -6.309 1.00 0.25 N ATOM 1809 CA VAL A 126 7.793 0.972 -5.176 1.00 0.25 C ATOM 1810 C VAL A 126 9.204 0.406 -5.315 1.00 0.30 C ATOM 1811 O VAL A 126 9.416 -0.807 -5.285 1.00 0.45 O ATOM 1812 CB VAL A 126 7.156 0.583 -3.817 1.00 0.42 C ATOM 1813 CG1 VAL A 126 6.771 -0.884 -3.778 1.00 1.10 C ATOM 1814 CG2 VAL A 126 8.091 0.917 -2.665 1.00 1.11 C ATOM 1815 H VAL A 126 6.985 -0.407 -6.552 1.00 0.28 H ATOM 1816 HA VAL A 126 7.858 2.052 -5.219 1.00 0.29 H ATOM 1817 HB VAL A 126 6.255 1.166 -3.695 1.00 1.25 H ATOM 1818 HG11 VAL A 126 6.388 -1.131 -2.799 1.00 1.77 H ATOM 1819 HG12 VAL A 126 7.641 -1.489 -3.988 1.00 1.60 H ATOM 1820 HG13 VAL A 126 6.011 -1.076 -4.519 1.00 1.63 H ATOM 1821 HG21 VAL A 126 8.310 1.974 -2.674 1.00 1.32 H ATOM 1822 HG22 VAL A 126 9.009 0.358 -2.776 1.00 1.58 H ATOM 1823 HG23 VAL A 126 7.619 0.652 -1.730 1.00 1.75 H ATOM 1824 N THR A 127 10.161 1.298 -5.497 1.00 0.35 N ATOM 1825 CA THR A 127 11.516 0.903 -5.837 1.00 0.54 C ATOM 1826 C THR A 127 12.502 1.304 -4.746 1.00 0.45 C ATOM 1827 O THR A 127 12.381 2.374 -4.145 1.00 0.37 O ATOM 1828 CB THR A 127 11.940 1.543 -7.176 1.00 0.76 C ATOM 1829 OG1 THR A 127 10.972 1.238 -8.190 1.00 0.86 O ATOM 1830 CG2 THR A 127 13.309 1.047 -7.621 1.00 0.97 C ATOM 1831 H THR A 127 9.954 2.254 -5.381 1.00 0.35 H ATOM 1832 HA THR A 127 11.534 -0.171 -5.953 1.00 0.68 H ATOM 1833 HB THR A 127 11.986 2.616 -7.044 1.00 0.75 H ATOM 1834 HG1 THR A 127 10.154 1.719 -8.004 1.00 1.16 H ATOM 1835 HG21 THR A 127 13.279 -0.024 -7.750 1.00 1.18 H ATOM 1836 HG22 THR A 127 14.044 1.298 -6.869 1.00 1.35 H ATOM 1837 HG23 THR A 127 13.577 1.516 -8.556 1.00 1.68 H ATOM 1838 N LEU A 128 13.465 0.429 -4.490 1.00 0.52 N ATOM 1839 CA LEU A 128 14.538 0.718 -3.554 1.00 0.49 C ATOM 1840 C LEU A 128 15.592 1.572 -4.240 1.00 0.50 C ATOM 1841 O LEU A 128 16.112 1.201 -5.294 1.00 0.59 O ATOM 1842 CB LEU A 128 15.176 -0.582 -3.061 1.00 0.59 C ATOM 1843 CG LEU A 128 16.240 -0.414 -1.977 1.00 0.73 C ATOM 1844 CD1 LEU A 128 15.593 -0.114 -0.638 1.00 0.78 C ATOM 1845 CD2 LEU A 128 17.110 -1.654 -1.887 1.00 1.44 C ATOM 1846 H LEU A 128 13.459 -0.435 -4.952 1.00 0.63 H ATOM 1847 HA LEU A 128 14.127 1.263 -2.718 1.00 0.42 H ATOM 1848 HB2 LEU A 128 14.393 -1.219 -2.671 1.00 0.98 H ATOM 1849 HB3 LEU A 128 15.633 -1.076 -3.905 1.00 0.67 H ATOM 1850 HG LEU A 128 16.874 0.423 -2.233 1.00 1.27 H ATOM 1851 HD11 LEU A 128 14.912 -0.912 -0.382 1.00 1.22 H ATOM 1852 HD12 LEU A 128 15.052 0.816 -0.699 1.00 1.09 H ATOM 1853 HD13 LEU A 128 16.357 -0.037 0.119 1.00 1.52 H ATOM 1854 HD21 LEU A 128 16.492 -2.511 -1.669 1.00 1.91 H ATOM 1855 HD22 LEU A 128 17.838 -1.525 -1.101 1.00 1.83 H ATOM 1856 HD23 LEU A 128 17.618 -1.806 -2.828 1.00 2.01 H ATOM 1857 N VAL A 129 15.906 2.712 -3.652 1.00 0.46 N ATOM 1858 CA VAL A 129 16.882 3.615 -4.236 1.00 0.51 C ATOM 1859 C VAL A 129 18.158 3.649 -3.408 1.00 0.50 C ATOM 1860 O VAL A 129 18.148 3.374 -2.203 1.00 0.50 O ATOM 1861 CB VAL A 129 16.331 5.048 -4.406 1.00 0.54 C ATOM 1862 CG1 VAL A 129 15.154 5.050 -5.368 1.00 0.60 C ATOM 1863 CG2 VAL A 129 15.931 5.653 -3.069 1.00 0.50 C ATOM 1864 H VAL A 129 15.485 2.943 -2.791 1.00 0.42 H ATOM 1865 HA VAL A 129 17.125 3.234 -5.218 1.00 0.57 H ATOM 1866 HB VAL A 129 17.114 5.660 -4.833 1.00 0.60 H ATOM 1867 HG11 VAL A 129 14.360 4.440 -4.965 1.00 1.18 H ATOM 1868 HG12 VAL A 129 15.467 4.650 -6.321 1.00 1.11 H ATOM 1869 HG13 VAL A 129 14.800 6.061 -5.502 1.00 1.19 H ATOM 1870 HG21 VAL A 129 15.565 6.658 -3.223 1.00 1.04 H ATOM 1871 HG22 VAL A 129 16.790 5.680 -2.416 1.00 1.15 H ATOM 1872 HG23 VAL A 129 15.154 5.052 -2.619 1.00 1.15 H ATOM 1873 N ASP A 130 19.250 3.984 -4.068 1.00 0.55 N ATOM 1874 CA ASP A 130 20.568 3.980 -3.451 1.00 0.62 C ATOM 1875 C ASP A 130 21.112 5.399 -3.347 1.00 1.17 C ATOM 1876 O ASP A 130 20.635 6.302 -4.041 1.00 2.01 O ATOM 1877 CB ASP A 130 21.518 3.112 -4.280 1.00 0.98 C ATOM 1878 CG ASP A 130 22.891 2.971 -3.660 1.00 1.49 C ATOM 1879 OD1 ASP A 130 23.722 3.888 -3.837 1.00 1.87 O1- ATOM 1880 OD2 ASP A 130 23.139 1.958 -2.970 1.00 2.25 O ATOM 1881 H ASP A 130 19.168 4.253 -5.008 1.00 0.60 H ATOM 1882 HA ASP A 130 20.475 3.562 -2.460 1.00 0.60 H ATOM 1883 HB2 ASP A 130 21.091 2.126 -4.387 1.00 1.72 H ATOM 1884 HB3 ASP A 130 21.631 3.556 -5.259 1.00 1.39 H