ATOM 58 N CYS A 6 12.813 8.884 4.007 1.00 0.62 N ATOM 59 CA CYS A 6 12.576 8.040 5.168 1.00 0.41 C ATOM 60 C CYS A 6 11.078 7.896 5.406 1.00 0.34 C ATOM 61 O CYS A 6 10.623 6.968 6.073 1.00 0.34 O ATOM 62 CB CYS A 6 13.247 8.632 6.406 1.00 0.49 C ATOM 63 SG CYS A 6 15.041 8.899 6.227 1.00 0.59 S ATOM 64 H CYS A 6 12.683 9.854 4.086 1.00 0.76 H ATOM 65 HA CYS A 6 12.996 7.067 4.964 1.00 0.36 H ATOM 66 HB2 CYS A 6 12.793 9.589 6.629 1.00 0.62 H ATOM 67 HB3 CYS A 6 13.094 7.963 7.242 1.00 0.46 H ATOM 68 N ALA A 7 10.317 8.818 4.837 1.00 0.32 N ATOM 69 CA ALA A 7 8.875 8.819 4.983 1.00 0.27 C ATOM 70 C ALA A 7 8.225 9.452 3.765 1.00 0.25 C ATOM 71 O ALA A 7 8.764 10.398 3.187 1.00 0.31 O ATOM 72 CB ALA A 7 8.464 9.557 6.247 1.00 0.31 C ATOM 73 H ALA A 7 10.736 9.514 4.291 1.00 0.36 H ATOM 74 HA ALA A 7 8.544 7.793 5.066 1.00 0.25 H ATOM 75 HB1 ALA A 7 8.765 10.591 6.173 1.00 1.07 H ATOM 76 HB2 ALA A 7 8.945 9.104 7.102 1.00 1.06 H ATOM 77 HB3 ALA A 7 7.393 9.502 6.366 1.00 0.97 H ATOM 78 N ALA A 8 7.079 8.923 3.375 1.00 0.22 N ATOM 79 CA ALA A 8 6.358 9.428 2.222 1.00 0.22 C ATOM 80 C ALA A 8 4.862 9.445 2.497 1.00 0.19 C ATOM 81 O ALA A 8 4.352 8.620 3.257 1.00 0.20 O ATOM 82 CB ALA A 8 6.666 8.584 0.993 1.00 0.27 C ATOM 83 H ALA A 8 6.702 8.169 3.884 1.00 0.23 H ATOM 84 HA ALA A 8 6.694 10.439 2.031 1.00 0.25 H ATOM 85 HB1 ALA A 8 6.328 7.572 1.159 1.00 1.08 H ATOM 86 HB2 ALA A 8 7.731 8.583 0.814 1.00 1.00 H ATOM 87 HB3 ALA A 8 6.156 8.997 0.135 1.00 0.99 H ATOM 88 N THR A 9 4.166 10.386 1.888 1.00 0.23 N ATOM 89 CA THR A 9 2.731 10.495 2.054 1.00 0.23 C ATOM 90 C THR A 9 2.031 10.366 0.705 1.00 0.23 C ATOM 91 O THR A 9 2.503 10.892 -0.304 1.00 0.29 O ATOM 92 CB THR A 9 2.346 11.833 2.724 1.00 0.29 C ATOM 93 OG1 THR A 9 3.022 11.955 3.983 1.00 0.84 O ATOM 94 CG2 THR A 9 0.842 11.931 2.950 1.00 0.70 C ATOM 95 H THR A 9 4.628 11.023 1.304 1.00 0.29 H ATOM 96 HA THR A 9 2.407 9.686 2.692 1.00 0.25 H ATOM 97 HB THR A 9 2.652 12.643 2.079 1.00 0.73 H ATOM 98 HG1 THR A 9 3.973 11.877 3.841 1.00 1.35 H ATOM 99 HG21 THR A 9 0.331 11.864 2.000 1.00 1.36 H ATOM 100 HG22 THR A 9 0.609 12.875 3.420 1.00 1.15 H ATOM 101 HG23 THR A 9 0.520 11.121 3.588 1.00 1.45 H ATOM 102 N VAL A 10 0.930 9.634 0.692 1.00 0.21 N ATOM 103 CA VAL A 10 0.137 9.458 -0.508 1.00 0.22 C ATOM 104 C VAL A 10 -1.338 9.684 -0.200 1.00 0.22 C ATOM 105 O VAL A 10 -1.850 9.231 0.825 1.00 0.26 O ATOM 106 CB VAL A 10 0.357 8.059 -1.134 1.00 0.29 C ATOM 107 CG1 VAL A 10 0.213 6.963 -0.091 1.00 0.62 C ATOM 108 CG2 VAL A 10 -0.606 7.820 -2.290 1.00 0.87 C ATOM 109 H VAL A 10 0.637 9.196 1.525 1.00 0.22 H ATOM 110 HA VAL A 10 0.455 10.203 -1.223 1.00 0.23 H ATOM 111 HB VAL A 10 1.364 8.019 -1.521 1.00 0.77 H ATOM 112 HG11 VAL A 10 -0.766 7.022 0.359 1.00 1.22 H ATOM 113 HG12 VAL A 10 0.969 7.088 0.669 1.00 1.35 H ATOM 114 HG13 VAL A 10 0.334 6.000 -0.565 1.00 1.12 H ATOM 115 HG21 VAL A 10 -0.393 6.863 -2.744 1.00 1.29 H ATOM 116 HG22 VAL A 10 -0.491 8.601 -3.024 1.00 1.49 H ATOM 117 HG23 VAL A 10 -1.619 7.822 -1.916 1.00 1.54 H ATOM 118 N GLU A 11 -2.004 10.417 -1.071 1.00 0.23 N ATOM 119 CA GLU A 11 -3.404 10.740 -0.886 1.00 0.25 C ATOM 120 C GLU A 11 -4.274 9.901 -1.811 1.00 0.23 C ATOM 121 O GLU A 11 -3.904 9.634 -2.957 1.00 0.29 O ATOM 122 CB GLU A 11 -3.629 12.227 -1.156 1.00 0.29 C ATOM 123 CG GLU A 11 -5.064 12.693 -0.981 1.00 1.09 C ATOM 124 CD GLU A 11 -5.240 14.148 -1.364 1.00 1.31 C ATOM 125 OE1 GLU A 11 -4.913 15.032 -0.542 1.00 1.14 O1- ATOM 126 OE2 GLU A 11 -5.719 14.416 -2.484 1.00 1.98 O ATOM 127 H GLU A 11 -1.537 10.757 -1.863 1.00 0.27 H ATOM 128 HA GLU A 11 -3.666 10.521 0.136 1.00 0.29 H ATOM 129 HB2 GLU A 11 -3.009 12.796 -0.482 1.00 0.76 H ATOM 130 HB3 GLU A 11 -3.327 12.441 -2.169 1.00 0.80 H ATOM 131 HG2 GLU A 11 -5.706 12.088 -1.606 1.00 1.71 H ATOM 132 HG3 GLU A 11 -5.347 12.572 0.055 1.00 1.60 H ATOM 133 N SER A 12 -5.417 9.482 -1.300 1.00 0.22 N ATOM 134 CA SER A 12 -6.386 8.745 -2.084 1.00 0.21 C ATOM 135 C SER A 12 -7.740 9.451 -2.019 1.00 0.20 C ATOM 136 O SER A 12 -8.184 9.885 -0.947 1.00 0.23 O ATOM 137 CB SER A 12 -6.488 7.307 -1.563 1.00 0.29 C ATOM 138 OG SER A 12 -6.744 7.284 -0.165 1.00 0.97 O ATOM 139 H SER A 12 -5.620 9.680 -0.358 1.00 0.26 H ATOM 140 HA SER A 12 -6.045 8.732 -3.108 1.00 0.21 H ATOM 141 HB2 SER A 12 -7.290 6.795 -2.071 1.00 0.62 H ATOM 142 HB3 SER A 12 -5.558 6.790 -1.752 1.00 0.49 H ATOM 143 HG SER A 12 -6.428 6.452 0.201 1.00 1.18 H ATOM 144 N ASN A 13 -8.402 9.561 -3.158 1.00 0.19 N ATOM 145 CA ASN A 13 -9.650 10.308 -3.241 1.00 0.24 C ATOM 146 C ASN A 13 -10.805 9.391 -3.634 1.00 0.24 C ATOM 147 O ASN A 13 -10.642 8.172 -3.701 1.00 0.19 O ATOM 148 CB ASN A 13 -9.508 11.477 -4.234 1.00 0.32 C ATOM 149 CG ASN A 13 -9.114 11.042 -5.637 1.00 0.34 C ATOM 150 OD1 ASN A 13 -9.430 9.938 -6.078 1.00 0.89 O ATOM 151 ND2 ASN A 13 -8.421 11.914 -6.349 1.00 1.14 N ATOM 152 H ASN A 13 -8.050 9.122 -3.963 1.00 0.19 H ATOM 153 HA ASN A 13 -9.853 10.709 -2.258 1.00 0.28 H ATOM 154 HB2 ASN A 13 -10.446 12.002 -4.296 1.00 0.38 H ATOM 155 HB3 ASN A 13 -8.750 12.155 -3.866 1.00 0.37 H ATOM 156 HD21 ASN A 13 -8.202 12.780 -5.935 1.00 1.79 H ATOM 157 HD22 ASN A 13 -8.164 11.668 -7.261 1.00 1.19 H ATOM 158 N ASP A 14 -11.970 9.976 -3.888 1.00 0.43 N ATOM 159 CA ASP A 14 -13.167 9.201 -4.203 1.00 0.51 C ATOM 160 C ASP A 14 -13.228 8.854 -5.687 1.00 0.43 C ATOM 161 O ASP A 14 -14.235 8.346 -6.172 1.00 0.48 O ATOM 162 CB ASP A 14 -14.436 9.968 -3.799 1.00 0.81 C ATOM 163 CG ASP A 14 -14.757 11.127 -4.729 1.00 1.53 C ATOM 164 OD1 ASP A 14 -14.116 12.190 -4.607 1.00 2.26 O1- ATOM 165 OD2 ASP A 14 -15.641 10.975 -5.601 1.00 1.86 O ATOM 166 H ASP A 14 -12.031 10.957 -3.858 1.00 0.55 H ATOM 167 HA ASP A 14 -13.120 8.284 -3.638 1.00 0.53 H ATOM 168 HB2 ASP A 14 -15.275 9.290 -3.806 1.00 1.03 H ATOM 169 HB3 ASP A 14 -14.305 10.360 -2.800 1.00 1.40 H ATOM 170 N ASN A 15 -12.143 9.119 -6.401 1.00 0.45 N ATOM 171 CA ASN A 15 -12.089 8.851 -7.834 1.00 0.48 C ATOM 172 C ASN A 15 -11.289 7.585 -8.108 1.00 0.41 C ATOM 173 O ASN A 15 -10.918 7.306 -9.249 1.00 0.47 O ATOM 174 CB ASN A 15 -11.472 10.034 -8.588 1.00 0.60 C ATOM 175 CG ASN A 15 -12.270 11.319 -8.434 1.00 0.93 C ATOM 176 OD1 ASN A 15 -11.702 12.411 -8.429 1.00 1.59 O ATOM 177 ND2 ASN A 15 -13.584 11.206 -8.310 1.00 1.58 N ATOM 178 H ASN A 15 -11.354 9.499 -5.956 1.00 0.49 H ATOM 179 HA ASN A 15 -13.102 8.702 -8.179 1.00 0.54 H ATOM 180 HB2 ASN A 15 -10.475 10.209 -8.212 1.00 0.96 H ATOM 181 HB3 ASN A 15 -11.417 9.790 -9.640 1.00 0.87 H ATOM 182 HD21 ASN A 15 -13.978 10.308 -8.323 1.00 2.09 H ATOM 183 HD22 ASN A 15 -14.113 12.028 -8.210 1.00 1.90 H ATOM 184 N MET A 16 -11.024 6.836 -7.036 1.00 0.36 N ATOM 185 CA MET A 16 -10.331 5.552 -7.117 1.00 0.39 C ATOM 186 C MET A 16 -8.923 5.705 -7.681 1.00 0.38 C ATOM 187 O MET A 16 -8.553 5.032 -8.644 1.00 0.54 O ATOM 188 CB MET A 16 -11.131 4.562 -7.971 1.00 0.50 C ATOM 189 CG MET A 16 -12.445 4.126 -7.347 1.00 0.58 C ATOM 190 SD MET A 16 -13.365 3.001 -8.415 1.00 1.03 S ATOM 191 CE MET A 16 -14.794 2.661 -7.393 1.00 1.92 C ATOM 192 H MET A 16 -11.309 7.160 -6.158 1.00 0.36 H ATOM 193 HA MET A 16 -10.254 5.162 -6.114 1.00 0.41 H ATOM 194 HB2 MET A 16 -11.349 5.024 -8.922 1.00 0.52 H ATOM 195 HB3 MET A 16 -10.530 3.684 -8.141 1.00 0.56 H ATOM 196 HG2 MET A 16 -12.238 3.625 -6.413 1.00 0.90 H ATOM 197 HG3 MET A 16 -13.051 5.001 -7.160 1.00 0.68 H ATOM 198 HE1 MET A 16 -14.472 2.258 -6.445 1.00 2.20 H ATOM 199 HE2 MET A 16 -15.431 1.943 -7.892 1.00 2.53 H ATOM 200 HE3 MET A 16 -15.344 3.575 -7.228 1.00 2.46 H ATOM 201 N GLN A 17 -8.134 6.581 -7.077 1.00 0.28 N ATOM 202 CA GLN A 17 -6.765 6.789 -7.521 1.00 0.33 C ATOM 203 C GLN A 17 -5.883 7.267 -6.374 1.00 0.28 C ATOM 204 O GLN A 17 -6.374 7.810 -5.379 1.00 0.40 O ATOM 205 CB GLN A 17 -6.721 7.820 -8.654 1.00 0.44 C ATOM 206 CG GLN A 17 -6.972 9.243 -8.187 1.00 0.77 C ATOM 207 CD GLN A 17 -6.760 10.267 -9.283 1.00 1.21 C ATOM 208 OE1 GLN A 17 -6.985 9.992 -10.462 1.00 1.78 O ATOM 209 NE2 GLN A 17 -6.309 11.452 -8.904 1.00 1.86 N ATOM 210 H GLN A 17 -8.475 7.094 -6.315 1.00 0.28 H ATOM 211 HA GLN A 17 -6.385 5.847 -7.887 1.00 0.41 H ATOM 212 HB2 GLN A 17 -5.750 7.786 -9.125 1.00 0.71 H ATOM 213 HB3 GLN A 17 -7.476 7.569 -9.384 1.00 0.83 H ATOM 214 HG2 GLN A 17 -7.993 9.318 -7.839 1.00 1.13 H ATOM 215 HG3 GLN A 17 -6.298 9.462 -7.371 1.00 0.81 H ATOM 216 HE21 GLN A 17 -6.135 11.601 -7.950 1.00 2.31 H ATOM 217 HE22 GLN A 17 -6.162 12.135 -9.595 1.00 2.23 H ATOM 218 N PHE A 18 -4.587 7.039 -6.520 1.00 0.30 N ATOM 219 CA PHE A 18 -3.589 7.630 -5.641 1.00 0.27 C ATOM 220 C PHE A 18 -2.957 8.807 -6.370 1.00 0.33 C ATOM 221 O PHE A 18 -2.934 8.829 -7.598 1.00 0.44 O ATOM 222 CB PHE A 18 -2.490 6.619 -5.285 1.00 0.29 C ATOM 223 CG PHE A 18 -2.967 5.380 -4.580 1.00 0.25 C ATOM 224 CD1 PHE A 18 -3.564 5.462 -3.331 1.00 0.24 C ATOM 225 CD2 PHE A 18 -2.798 4.131 -5.158 1.00 0.27 C ATOM 226 CE1 PHE A 18 -3.983 4.321 -2.675 1.00 0.25 C ATOM 227 CE2 PHE A 18 -3.210 2.988 -4.504 1.00 0.26 C ATOM 228 CZ PHE A 18 -3.806 3.082 -3.260 1.00 0.28 C ATOM 229 H PHE A 18 -4.288 6.463 -7.256 1.00 0.45 H ATOM 230 HA PHE A 18 -4.077 7.978 -4.744 1.00 0.26 H ATOM 231 HB2 PHE A 18 -1.994 6.308 -6.193 1.00 0.34 H ATOM 232 HB3 PHE A 18 -1.766 7.103 -4.642 1.00 0.34 H ATOM 233 HD1 PHE A 18 -3.706 6.429 -2.873 1.00 0.27 H ATOM 234 HD2 PHE A 18 -2.335 4.055 -6.131 1.00 0.31 H ATOM 235 HE1 PHE A 18 -4.449 4.397 -1.703 1.00 0.28 H ATOM 236 HE2 PHE A 18 -3.072 2.020 -4.967 1.00 0.30 H ATOM 237 HZ PHE A 18 -4.129 2.190 -2.746 1.00 0.31 H ATOM 238 N ASN A 19 -2.436 9.778 -5.634 1.00 0.35 N ATOM 239 CA ASN A 19 -1.802 10.937 -6.265 1.00 0.49 C ATOM 240 C ASN A 19 -0.349 10.650 -6.628 1.00 0.36 C ATOM 241 O ASN A 19 0.446 11.570 -6.827 1.00 0.45 O ATOM 242 CB ASN A 19 -1.875 12.174 -5.368 1.00 0.71 C ATOM 243 CG ASN A 19 -3.294 12.671 -5.166 1.00 1.33 C ATOM 244 OD1 ASN A 19 -4.186 12.393 -5.969 1.00 2.31 O ATOM 245 ND2 ASN A 19 -3.505 13.444 -4.116 1.00 1.42 N ATOM 246 H ASN A 19 -2.495 9.728 -4.655 1.00 0.34 H ATOM 247 HA ASN A 19 -2.345 11.142 -7.177 1.00 0.65 H ATOM 248 HB2 ASN A 19 -1.462 11.928 -4.401 1.00 1.29 H ATOM 249 HB3 ASN A 19 -1.293 12.968 -5.812 1.00 1.43 H ATOM 250 HD21 ASN A 19 -2.742 13.654 -3.534 1.00 1.07 H ATOM 251 HD22 ASN A 19 -4.418 13.774 -3.954 1.00 2.20 H ATOM 252 N THR A 20 -0.006 9.372 -6.698 1.00 0.36 N ATOM 253 CA THR A 20 1.308 8.948 -7.144 1.00 0.33 C ATOM 254 C THR A 20 1.299 7.451 -7.435 1.00 0.24 C ATOM 255 O THR A 20 0.634 6.680 -6.741 1.00 0.32 O ATOM 256 CB THR A 20 2.410 9.278 -6.105 1.00 0.53 C ATOM 257 OG1 THR A 20 3.695 8.865 -6.594 1.00 1.12 O ATOM 258 CG2 THR A 20 2.136 8.601 -4.769 1.00 0.44 C ATOM 259 H THR A 20 -0.657 8.689 -6.433 1.00 0.46 H ATOM 260 HA THR A 20 1.533 9.477 -8.059 1.00 0.42 H ATOM 261 HB THR A 20 2.423 10.348 -5.950 1.00 0.94 H ATOM 262 HG1 THR A 20 4.180 8.420 -5.888 1.00 1.27 H ATOM 263 HG21 THR A 20 2.935 8.828 -4.079 1.00 1.10 H ATOM 264 HG22 THR A 20 2.077 7.533 -4.912 1.00 1.10 H ATOM 265 HG23 THR A 20 1.202 8.963 -4.369 1.00 1.26 H ATOM 266 N LYS A 21 2.005 7.050 -8.483 1.00 0.23 N ATOM 267 CA LYS A 21 2.131 5.640 -8.820 1.00 0.31 C ATOM 268 C LYS A 21 3.556 5.165 -8.574 1.00 0.23 C ATOM 269 O LYS A 21 3.927 4.047 -8.943 1.00 0.28 O ATOM 270 CB LYS A 21 1.748 5.382 -10.280 1.00 0.50 C ATOM 271 CG LYS A 21 0.281 5.636 -10.591 1.00 0.91 C ATOM 272 CD LYS A 21 -0.073 5.135 -11.983 1.00 0.85 C ATOM 273 CE LYS A 21 -1.504 5.480 -12.366 1.00 1.30 C ATOM 274 NZ LYS A 21 -1.721 6.947 -12.461 1.00 2.18 N1+ ATOM 275 H LYS A 21 2.456 7.721 -9.043 1.00 0.29 H ATOM 276 HA LYS A 21 1.465 5.084 -8.178 1.00 0.42 H ATOM 277 HB2 LYS A 21 2.344 6.026 -10.912 1.00 0.91 H ATOM 278 HB3 LYS A 21 1.971 4.353 -10.520 1.00 1.08 H ATOM 279 HG2 LYS A 21 -0.328 5.119 -9.865 1.00 1.70 H ATOM 280 HG3 LYS A 21 0.086 6.699 -10.539 1.00 1.59 H ATOM 281 HD2 LYS A 21 0.598 5.585 -12.698 1.00 1.30 H ATOM 282 HD3 LYS A 21 0.046 4.062 -12.006 1.00 1.60 H ATOM 283 HE2 LYS A 21 -1.724 5.032 -13.324 1.00 1.82 H ATOM 284 HE3 LYS A 21 -2.171 5.074 -11.620 1.00 1.73 H ATOM 285 HZ1 LYS A 21 -1.491 7.404 -11.558 1.00 2.52 H ATOM 286 HZ2 LYS A 21 -2.715 7.148 -12.690 1.00 2.85 H ATOM 287 HZ3 LYS A 21 -1.116 7.355 -13.204 1.00 2.48 H ATOM 288 N ASP A 22 4.352 6.024 -7.956 1.00 0.20 N ATOM 289 CA ASP A 22 5.743 5.706 -7.660 1.00 0.22 C ATOM 290 C ASP A 22 6.103 6.084 -6.232 1.00 0.20 C ATOM 291 O ASP A 22 5.849 7.208 -5.789 1.00 0.24 O ATOM 292 CB ASP A 22 6.694 6.418 -8.631 1.00 0.34 C ATOM 293 CG ASP A 22 6.858 5.682 -9.945 1.00 1.26 C ATOM 294 OD1 ASP A 22 7.607 4.682 -9.988 1.00 1.86 O1- ATOM 295 OD2 ASP A 22 6.225 6.091 -10.939 1.00 2.06 O ATOM 296 H ASP A 22 3.993 6.897 -7.685 1.00 0.23 H ATOM 297 HA ASP A 22 5.864 4.638 -7.777 1.00 0.26 H ATOM 298 HB2 ASP A 22 6.308 7.404 -8.843 1.00 1.18 H ATOM 299 HB3 ASP A 22 7.667 6.510 -8.167 1.00 1.05 H ATOM 300 N ILE A 23 6.670 5.129 -5.512 1.00 0.19 N ATOM 301 CA ILE A 23 7.216 5.372 -4.187 1.00 0.21 C ATOM 302 C ILE A 23 8.614 4.780 -4.106 1.00 0.27 C ATOM 303 O ILE A 23 8.822 3.612 -4.434 1.00 0.32 O ATOM 304 CB ILE A 23 6.326 4.770 -3.070 1.00 0.21 C ATOM 305 CG1 ILE A 23 5.002 5.541 -2.970 1.00 0.22 C ATOM 306 CG2 ILE A 23 7.056 4.785 -1.730 1.00 0.26 C ATOM 307 CD1 ILE A 23 4.009 4.928 -2.004 1.00 0.23 C ATOM 308 H ILE A 23 6.726 4.221 -5.884 1.00 0.21 H ATOM 309 HA ILE A 23 7.280 6.441 -4.041 1.00 0.23 H ATOM 310 HB ILE A 23 6.118 3.741 -3.326 1.00 0.24 H ATOM 311 HG12 ILE A 23 5.207 6.548 -2.633 1.00 0.25 H ATOM 312 HG13 ILE A 23 4.539 5.582 -3.946 1.00 0.26 H ATOM 313 HG21 ILE A 23 7.991 4.252 -1.824 1.00 0.96 H ATOM 314 HG22 ILE A 23 6.443 4.304 -0.980 1.00 1.01 H ATOM 315 HG23 ILE A 23 7.251 5.805 -1.435 1.00 0.90 H ATOM 316 HD11 ILE A 23 3.107 5.522 -1.988 1.00 1.03 H ATOM 317 HD12 ILE A 23 4.440 4.902 -1.014 1.00 1.11 H ATOM 318 HD13 ILE A 23 3.772 3.922 -2.320 1.00 0.97 H ATOM 319 N GLN A 24 9.572 5.593 -3.703 1.00 0.34 N ATOM 320 CA GLN A 24 10.951 5.153 -3.615 1.00 0.41 C ATOM 321 C GLN A 24 11.378 5.000 -2.165 1.00 0.35 C ATOM 322 O GLN A 24 11.367 5.960 -1.396 1.00 0.39 O ATOM 323 CB GLN A 24 11.875 6.134 -4.331 1.00 0.57 C ATOM 324 CG GLN A 24 11.563 6.293 -5.809 1.00 0.67 C ATOM 325 CD GLN A 24 12.613 7.107 -6.538 1.00 0.86 C ATOM 326 OE1 GLN A 24 13.784 7.108 -6.161 1.00 1.32 O ATOM 327 NE2 GLN A 24 12.206 7.802 -7.586 1.00 1.46 N ATOM 328 H GLN A 24 9.342 6.510 -3.446 1.00 0.35 H ATOM 329 HA GLN A 24 11.021 4.191 -4.100 1.00 0.44 H ATOM 330 HB2 GLN A 24 11.787 7.103 -3.860 1.00 0.59 H ATOM 331 HB3 GLN A 24 12.893 5.787 -4.234 1.00 0.63 H ATOM 332 HG2 GLN A 24 11.509 5.313 -6.259 1.00 0.70 H ATOM 333 HG3 GLN A 24 10.608 6.789 -5.910 1.00 0.63 H ATOM 334 HE21 GLN A 24 11.256 7.758 -7.835 1.00 2.04 H ATOM 335 HE22 GLN A 24 12.871 8.330 -8.076 1.00 1.58 H ATOM 336 N VAL A 25 11.758 3.791 -1.800 1.00 0.31 N ATOM 337 CA VAL A 25 12.219 3.515 -0.453 1.00 0.25 C ATOM 338 C VAL A 25 13.735 3.531 -0.419 1.00 0.26 C ATOM 339 O VAL A 25 14.387 2.759 -1.113 1.00 0.30 O ATOM 340 CB VAL A 25 11.706 2.156 0.064 1.00 0.23 C ATOM 341 CG1 VAL A 25 12.223 1.885 1.471 1.00 0.22 C ATOM 342 CG2 VAL A 25 10.187 2.116 0.036 1.00 0.23 C ATOM 343 H VAL A 25 11.750 3.065 -2.465 1.00 0.34 H ATOM 344 HA VAL A 25 11.844 4.294 0.197 1.00 0.25 H ATOM 345 HB VAL A 25 12.079 1.381 -0.591 1.00 0.28 H ATOM 346 HG11 VAL A 25 11.855 0.931 1.813 1.00 0.89 H ATOM 347 HG12 VAL A 25 11.878 2.664 2.136 1.00 0.90 H ATOM 348 HG13 VAL A 25 13.304 1.875 1.462 1.00 0.85 H ATOM 349 HG21 VAL A 25 9.796 2.894 0.675 1.00 1.01 H ATOM 350 HG22 VAL A 25 9.845 1.155 0.389 1.00 1.10 H ATOM 351 HG23 VAL A 25 9.842 2.274 -0.974 1.00 0.92 H ATOM 352 N SER A 26 14.289 4.427 0.371 1.00 0.27 N ATOM 353 CA SER A 26 15.727 4.581 0.444 1.00 0.29 C ATOM 354 C SER A 26 16.323 3.588 1.442 1.00 0.26 C ATOM 355 O SER A 26 16.007 3.622 2.631 1.00 0.25 O ATOM 356 CB SER A 26 16.055 6.022 0.828 1.00 0.36 C ATOM 357 OG SER A 26 15.374 6.928 -0.032 1.00 1.16 O ATOM 358 H SER A 26 13.718 4.992 0.931 1.00 0.28 H ATOM 359 HA SER A 26 16.133 4.375 -0.536 1.00 0.34 H ATOM 360 HB2 SER A 26 15.740 6.205 1.845 1.00 0.74 H ATOM 361 HB3 SER A 26 17.117 6.191 0.742 1.00 0.99 H ATOM 362 HG SER A 26 14.598 6.491 -0.396 1.00 1.73 H ATOM 363 N LYS A 27 17.178 2.698 0.944 1.00 0.32 N ATOM 364 CA LYS A 27 17.788 1.662 1.774 1.00 0.36 C ATOM 365 C LYS A 27 18.783 2.270 2.756 1.00 0.42 C ATOM 366 O LYS A 27 19.163 1.642 3.744 1.00 0.54 O ATOM 367 CB LYS A 27 18.491 0.611 0.907 1.00 0.45 C ATOM 368 CG LYS A 27 19.699 1.148 0.153 1.00 0.82 C ATOM 369 CD LYS A 27 20.438 0.051 -0.597 1.00 0.86 C ATOM 370 CE LYS A 27 19.582 -0.564 -1.694 1.00 0.98 C ATOM 371 NZ LYS A 27 20.342 -1.557 -2.495 1.00 0.97 N1+ ATOM 372 H LYS A 27 17.405 2.739 -0.015 1.00 0.37 H ATOM 373 HA LYS A 27 16.998 1.181 2.335 1.00 0.37 H ATOM 374 HB2 LYS A 27 18.819 -0.201 1.538 1.00 0.72 H ATOM 375 HB3 LYS A 27 17.785 0.232 0.183 1.00 0.76 H ATOM 376 HG2 LYS A 27 19.364 1.889 -0.556 1.00 1.17 H ATOM 377 HG3 LYS A 27 20.375 1.606 0.861 1.00 1.17 H ATOM 378 HD2 LYS A 27 21.325 0.472 -1.043 1.00 1.37 H ATOM 379 HD3 LYS A 27 20.717 -0.722 0.105 1.00 1.30 H ATOM 380 HE2 LYS A 27 18.735 -1.057 -1.240 1.00 1.43 H ATOM 381 HE3 LYS A 27 19.234 0.223 -2.346 1.00 1.49 H ATOM 382 HZ1 LYS A 27 20.679 -2.328 -1.886 1.00 1.16 H ATOM 383 HZ2 LYS A 27 21.165 -1.100 -2.942 1.00 1.56 H ATOM 384 HZ3 LYS A 27 19.737 -1.957 -3.239 1.00 1.38 H ATOM 385 N ALA A 28 19.200 3.500 2.473 1.00 0.44 N ATOM 386 CA ALA A 28 20.110 4.227 3.347 1.00 0.53 C ATOM 387 C ALA A 28 19.377 4.758 4.574 1.00 0.49 C ATOM 388 O ALA A 28 19.962 5.440 5.420 1.00 0.63 O ATOM 389 CB ALA A 28 20.772 5.368 2.590 1.00 0.65 C ATOM 390 H ALA A 28 18.892 3.927 1.646 1.00 0.47 H ATOM 391 HA ALA A 28 20.882 3.543 3.667 1.00 0.59 H ATOM 392 HB1 ALA A 28 21.475 5.869 3.238 1.00 1.17 H ATOM 393 HB2 ALA A 28 20.017 6.069 2.267 1.00 1.16 H ATOM 394 HB3 ALA A 28 21.291 4.975 1.729 1.00 1.15 H ATOM 395 N CYS A 29 18.092 4.455 4.656 1.00 0.37 N ATOM 396 CA CYS A 29 17.281 4.840 5.795 1.00 0.40 C ATOM 397 C CYS A 29 17.007 3.620 6.661 1.00 0.40 C ATOM 398 O CYS A 29 16.760 2.527 6.151 1.00 0.40 O ATOM 399 CB CYS A 29 15.970 5.468 5.317 1.00 0.41 C ATOM 400 SG CYS A 29 16.203 6.996 4.352 1.00 0.49 S ATOM 401 H CYS A 29 17.676 3.943 3.929 1.00 0.35 H ATOM 402 HA CYS A 29 17.836 5.564 6.371 1.00 0.48 H ATOM 403 HB2 CYS A 29 15.446 4.760 4.692 1.00 0.39 H ATOM 404 HB3 CYS A 29 15.357 5.708 6.174 1.00 0.46 H ATOM 405 N LYS A 30 17.074 3.811 7.973 1.00 0.49 N ATOM 406 CA LYS A 30 16.889 2.723 8.925 1.00 0.59 C ATOM 407 C LYS A 30 15.475 2.152 8.836 1.00 0.51 C ATOM 408 O LYS A 30 15.287 0.936 8.809 1.00 0.52 O ATOM 409 CB LYS A 30 17.174 3.223 10.342 1.00 0.81 C ATOM 410 CG LYS A 30 17.154 2.132 11.400 1.00 1.42 C ATOM 411 CD LYS A 30 17.449 2.692 12.785 1.00 2.13 C ATOM 412 CE LYS A 30 18.850 3.284 12.876 1.00 2.73 C ATOM 413 NZ LYS A 30 19.905 2.281 12.568 1.00 3.49 N1+ ATOM 414 H LYS A 30 17.257 4.714 8.314 1.00 0.53 H ATOM 415 HA LYS A 30 17.594 1.944 8.678 1.00 0.64 H ATOM 416 HB2 LYS A 30 18.148 3.687 10.356 1.00 1.26 H ATOM 417 HB3 LYS A 30 16.432 3.960 10.605 1.00 1.26 H ATOM 418 HG2 LYS A 30 16.177 1.671 11.410 1.00 1.93 H ATOM 419 HG3 LYS A 30 17.901 1.392 11.155 1.00 1.99 H ATOM 420 HD2 LYS A 30 16.730 3.467 13.005 1.00 2.54 H ATOM 421 HD3 LYS A 30 17.355 1.897 13.509 1.00 2.61 H ATOM 422 HE2 LYS A 30 18.929 4.101 12.176 1.00 2.82 H ATOM 423 HE3 LYS A 30 19.002 3.656 13.879 1.00 3.19 H ATOM 424 HZ1 LYS A 30 19.815 1.953 11.585 1.00 3.98 H ATOM 425 HZ2 LYS A 30 19.818 1.461 13.202 1.00 3.76 H ATOM 426 HZ3 LYS A 30 20.847 2.700 12.696 1.00 3.79 H ATOM 427 N GLU A 31 14.488 3.041 8.787 1.00 0.51 N ATOM 428 CA GLU A 31 13.092 2.642 8.669 1.00 0.52 C ATOM 429 C GLU A 31 12.367 3.572 7.707 1.00 0.42 C ATOM 430 O GLU A 31 12.717 4.748 7.590 1.00 0.44 O ATOM 431 CB GLU A 31 12.397 2.667 10.035 1.00 0.69 C ATOM 432 CG GLU A 31 12.962 1.671 11.033 1.00 1.15 C ATOM 433 CD GLU A 31 12.143 1.596 12.304 1.00 1.39 C ATOM 434 OE1 GLU A 31 11.149 0.834 12.329 1.00 1.71 O ATOM 435 OE2 GLU A 31 12.488 2.290 13.283 1.00 2.00 O1- ATOM 436 H GLU A 31 14.706 3.996 8.822 1.00 0.57 H ATOM 437 HA GLU A 31 13.063 1.639 8.273 1.00 0.54 H ATOM 438 HB2 GLU A 31 12.493 3.656 10.457 1.00 1.30 H ATOM 439 HB3 GLU A 31 11.350 2.447 9.896 1.00 1.13 H ATOM 440 HG2 GLU A 31 12.979 0.694 10.577 1.00 1.90 H ATOM 441 HG3 GLU A 31 13.968 1.968 11.287 1.00 1.66 H ATOM 442 N PHE A 32 11.362 3.051 7.018 1.00 0.36 N ATOM 443 CA PHE A 32 10.609 3.848 6.063 1.00 0.30 C ATOM 444 C PHE A 32 9.130 3.865 6.430 1.00 0.25 C ATOM 445 O PHE A 32 8.523 2.816 6.637 1.00 0.29 O ATOM 446 CB PHE A 32 10.797 3.293 4.650 1.00 0.32 C ATOM 447 CG PHE A 32 10.313 4.218 3.570 1.00 0.30 C ATOM 448 CD1 PHE A 32 11.113 5.243 3.088 1.00 0.30 C ATOM 449 CD2 PHE A 32 9.047 4.062 3.041 1.00 0.32 C ATOM 450 CE1 PHE A 32 10.652 6.089 2.097 1.00 0.32 C ATOM 451 CE2 PHE A 32 8.584 4.903 2.054 1.00 0.34 C ATOM 452 CZ PHE A 32 9.449 5.935 1.565 1.00 0.34 C ATOM 453 H PHE A 32 11.116 2.108 7.157 1.00 0.39 H ATOM 454 HA PHE A 32 10.992 4.859 6.099 1.00 0.30 H ATOM 455 HB2 PHE A 32 11.849 3.111 4.480 1.00 0.36 H ATOM 456 HB3 PHE A 32 10.256 2.364 4.564 1.00 0.35 H ATOM 457 HD1 PHE A 32 12.106 5.377 3.491 1.00 0.32 H ATOM 458 HD2 PHE A 32 8.416 3.267 3.408 1.00 0.35 H ATOM 459 HE1 PHE A 32 11.281 6.882 1.728 1.00 0.35 H ATOM 460 HE2 PHE A 32 7.594 4.766 1.653 1.00 0.39 H ATOM 461 HZ PHE A 32 9.115 6.605 0.788 1.00 0.38 H ATOM 462 N THR A 33 8.555 5.055 6.508 1.00 0.21 N ATOM 463 CA THR A 33 7.162 5.205 6.902 1.00 0.19 C ATOM 464 C THR A 33 6.324 5.792 5.767 1.00 0.17 C ATOM 465 O THR A 33 6.714 6.768 5.131 1.00 0.26 O ATOM 466 CB THR A 33 7.043 6.096 8.155 1.00 0.24 C ATOM 467 OG1 THR A 33 7.813 5.530 9.225 1.00 0.32 O ATOM 468 CG2 THR A 33 5.594 6.245 8.598 1.00 0.26 C ATOM 469 H THR A 33 9.081 5.857 6.289 1.00 0.24 H ATOM 470 HA THR A 33 6.779 4.225 7.145 1.00 0.21 H ATOM 471 HB THR A 33 7.435 7.075 7.919 1.00 0.29 H ATOM 472 HG1 THR A 33 8.751 5.565 8.994 1.00 1.04 H ATOM 473 HG21 THR A 33 5.188 5.272 8.833 1.00 1.03 H ATOM 474 HG22 THR A 33 5.017 6.691 7.800 1.00 1.03 H ATOM 475 HG23 THR A 33 5.547 6.876 9.473 1.00 0.98 H ATOM 476 N ILE A 34 5.177 5.181 5.517 1.00 0.16 N ATOM 477 CA ILE A 34 4.256 5.657 4.497 1.00 0.17 C ATOM 478 C ILE A 34 2.938 6.068 5.137 1.00 0.17 C ATOM 479 O ILE A 34 2.372 5.320 5.932 1.00 0.21 O ATOM 480 CB ILE A 34 3.980 4.579 3.424 1.00 0.18 C ATOM 481 CG1 ILE A 34 5.278 4.203 2.706 1.00 0.19 C ATOM 482 CG2 ILE A 34 2.933 5.067 2.428 1.00 0.23 C ATOM 483 CD1 ILE A 34 5.118 3.093 1.686 1.00 0.22 C ATOM 484 H ILE A 34 4.937 4.386 6.044 1.00 0.20 H ATOM 485 HA ILE A 34 4.702 6.517 4.017 1.00 0.19 H ATOM 486 HB ILE A 34 3.587 3.706 3.922 1.00 0.20 H ATOM 487 HG12 ILE A 34 5.658 5.071 2.192 1.00 0.21 H ATOM 488 HG13 ILE A 34 6.005 3.879 3.438 1.00 0.19 H ATOM 489 HG21 ILE A 34 2.017 5.297 2.953 1.00 0.96 H ATOM 490 HG22 ILE A 34 2.743 4.296 1.697 1.00 0.96 H ATOM 491 HG23 ILE A 34 3.292 5.956 1.930 1.00 0.91 H ATOM 492 HD11 ILE A 34 6.076 2.876 1.236 1.00 1.03 H ATOM 493 HD12 ILE A 34 4.425 3.402 0.920 1.00 1.03 H ATOM 494 HD13 ILE A 34 4.742 2.206 2.173 1.00 0.97 H ATOM 495 N THR A 35 2.467 7.259 4.807 1.00 0.18 N ATOM 496 CA THR A 35 1.197 7.743 5.321 1.00 0.19 C ATOM 497 C THR A 35 0.169 7.868 4.200 1.00 0.17 C ATOM 498 O THR A 35 0.421 8.514 3.183 1.00 0.20 O ATOM 499 CB THR A 35 1.360 9.105 6.019 1.00 0.23 C ATOM 500 OG1 THR A 35 2.345 9.000 7.057 1.00 0.23 O ATOM 501 CG2 THR A 35 0.039 9.579 6.611 1.00 0.28 C ATOM 502 H THR A 35 2.987 7.829 4.195 1.00 0.20 H ATOM 503 HA THR A 35 0.838 7.028 6.046 1.00 0.19 H ATOM 504 HB THR A 35 1.693 9.829 5.289 1.00 0.26 H ATOM 505 HG1 THR A 35 2.975 8.310 6.827 1.00 0.74 H ATOM 506 HG21 THR A 35 0.179 10.542 7.079 1.00 0.96 H ATOM 507 HG22 THR A 35 -0.303 8.868 7.347 1.00 1.02 H ATOM 508 HG23 THR A 35 -0.697 9.667 5.824 1.00 1.00 H ATOM 509 N LEU A 36 -0.980 7.240 4.389 1.00 0.16 N ATOM 510 CA LEU A 36 -2.058 7.294 3.417 1.00 0.14 C ATOM 511 C LEU A 36 -3.147 8.245 3.901 1.00 0.17 C ATOM 512 O LEU A 36 -3.677 8.086 5.001 1.00 0.20 O ATOM 513 CB LEU A 36 -2.642 5.893 3.201 1.00 0.16 C ATOM 514 CG LEU A 36 -3.736 5.792 2.130 1.00 0.14 C ATOM 515 CD1 LEU A 36 -3.178 6.089 0.748 1.00 0.17 C ATOM 516 CD2 LEU A 36 -4.384 4.414 2.157 1.00 0.18 C ATOM 517 H LEU A 36 -1.114 6.723 5.220 1.00 0.17 H ATOM 518 HA LEU A 36 -1.653 7.663 2.487 1.00 0.15 H ATOM 519 HB2 LEU A 36 -1.835 5.229 2.926 1.00 0.20 H ATOM 520 HB3 LEU A 36 -3.055 5.554 4.138 1.00 0.21 H ATOM 521 HG LEU A 36 -4.501 6.526 2.339 1.00 0.13 H ATOM 522 HD11 LEU A 36 -2.344 5.433 0.547 1.00 0.98 H ATOM 523 HD12 LEU A 36 -2.848 7.115 0.706 1.00 0.97 H ATOM 524 HD13 LEU A 36 -3.946 5.928 0.009 1.00 1.05 H ATOM 525 HD21 LEU A 36 -5.138 4.356 1.386 1.00 0.99 H ATOM 526 HD22 LEU A 36 -4.843 4.249 3.121 1.00 1.04 H ATOM 527 HD23 LEU A 36 -3.634 3.657 1.982 1.00 0.97 H ATOM 528 N LYS A 37 -3.465 9.235 3.084 1.00 0.21 N ATOM 529 CA LYS A 37 -4.493 10.211 3.424 1.00 0.27 C ATOM 530 C LYS A 37 -5.704 10.050 2.515 1.00 0.20 C ATOM 531 O LYS A 37 -5.619 10.291 1.312 1.00 0.22 O ATOM 532 CB LYS A 37 -3.947 11.641 3.302 1.00 0.42 C ATOM 533 CG LYS A 37 -2.925 12.026 4.362 1.00 1.22 C ATOM 534 CD LYS A 37 -3.540 12.074 5.753 1.00 1.21 C ATOM 535 CE LYS A 37 -2.662 12.842 6.726 1.00 2.09 C ATOM 536 NZ LYS A 37 -2.547 14.279 6.357 1.00 2.62 N1+ ATOM 537 H LYS A 37 -3.000 9.310 2.219 1.00 0.23 H ATOM 538 HA LYS A 37 -4.798 10.033 4.445 1.00 0.34 H ATOM 539 HB2 LYS A 37 -3.473 11.749 2.336 1.00 1.11 H ATOM 540 HB3 LYS A 37 -4.774 12.336 3.362 1.00 0.73 H ATOM 541 HG2 LYS A 37 -2.127 11.298 4.360 1.00 1.93 H ATOM 542 HG3 LYS A 37 -2.524 12.999 4.123 1.00 1.96 H ATOM 543 HD2 LYS A 37 -4.504 12.556 5.696 1.00 1.40 H ATOM 544 HD3 LYS A 37 -3.663 11.063 6.116 1.00 1.51 H ATOM 545 HE2 LYS A 37 -3.090 12.769 7.714 1.00 2.18 H ATOM 546 HE3 LYS A 37 -1.676 12.399 6.728 1.00 2.79 H ATOM 547 HZ1 LYS A 37 -2.107 14.377 5.421 1.00 3.01 H ATOM 548 HZ2 LYS A 37 -1.963 14.782 7.055 1.00 3.07 H ATOM 549 HZ3 LYS A 37 -3.489 14.720 6.332 1.00 2.78 H ATOM 550 N HIS A 38 -6.826 9.640 3.082 1.00 0.18 N ATOM 551 CA HIS A 38 -8.049 9.502 2.302 1.00 0.16 C ATOM 552 C HIS A 38 -8.894 10.764 2.439 1.00 0.23 C ATOM 553 O HIS A 38 -9.648 10.924 3.397 1.00 0.29 O ATOM 554 CB HIS A 38 -8.843 8.266 2.736 1.00 0.21 C ATOM 555 CG HIS A 38 -10.032 7.973 1.867 1.00 0.20 C ATOM 556 ND1 HIS A 38 -10.170 8.454 0.581 1.00 0.18 N ATOM 557 CD2 HIS A 38 -11.148 7.251 2.115 1.00 0.29 C ATOM 558 CE1 HIS A 38 -11.323 8.043 0.085 1.00 0.19 C ATOM 559 NE2 HIS A 38 -11.936 7.307 0.994 1.00 0.24 N ATOM 560 H HIS A 38 -6.837 9.436 4.046 1.00 0.22 H ATOM 561 HA HIS A 38 -7.763 9.391 1.264 1.00 0.17 H ATOM 562 HB2 HIS A 38 -8.194 7.403 2.707 1.00 0.24 H ATOM 563 HB3 HIS A 38 -9.200 8.414 3.748 1.00 0.27 H ATOM 564 HD1 HIS A 38 -9.501 8.986 0.088 1.00 0.25 H ATOM 565 HD2 HIS A 38 -11.378 6.723 3.030 1.00 0.41 H ATOM 566 HE1 HIS A 38 -11.710 8.287 -0.893 1.00 0.24 H ATOM 567 HE2 HIS A 38 -12.661 6.670 0.797 1.00 0.26 H ATOM 568 N THR A 39 -8.763 11.643 1.456 1.00 0.30 N ATOM 569 CA THR A 39 -9.415 12.948 1.480 1.00 0.44 C ATOM 570 C THR A 39 -10.885 12.849 1.049 1.00 0.55 C ATOM 571 O THR A 39 -11.618 13.841 1.047 1.00 1.42 O ATOM 572 CB THR A 39 -8.658 13.940 0.562 1.00 0.52 C ATOM 573 OG1 THR A 39 -9.155 15.273 0.729 1.00 1.60 O ATOM 574 CG2 THR A 39 -8.777 13.532 -0.902 1.00 1.46 C ATOM 575 H THR A 39 -8.200 11.410 0.686 1.00 0.31 H ATOM 576 HA THR A 39 -9.373 13.322 2.492 1.00 0.47 H ATOM 577 HB THR A 39 -7.613 13.924 0.835 1.00 0.92 H ATOM 578 HG1 THR A 39 -8.575 15.889 0.264 1.00 2.04 H ATOM 579 HG21 THR A 39 -9.819 13.507 -1.185 1.00 1.97 H ATOM 580 HG22 THR A 39 -8.344 12.554 -1.041 1.00 2.04 H ATOM 581 HG23 THR A 39 -8.254 14.248 -1.518 1.00 2.09 H ATOM 582 N GLY A 40 -11.316 11.643 0.705 1.00 0.61 N ATOM 583 CA GLY A 40 -12.675 11.448 0.240 1.00 0.56 C ATOM 584 C GLY A 40 -13.620 11.118 1.371 1.00 0.66 C ATOM 585 O GLY A 40 -13.396 10.157 2.108 1.00 1.16 O ATOM 586 H GLY A 40 -10.714 10.881 0.789 1.00 1.26 H ATOM 587 HA2 GLY A 40 -13.010 12.353 -0.246 1.00 0.53 H ATOM 588 HA3 GLY A 40 -12.689 10.638 -0.476 1.00 0.54 H ATOM 589 N THR A 41 -14.681 11.903 1.498 1.00 0.46 N ATOM 590 CA THR A 41 -15.655 11.731 2.563 1.00 0.53 C ATOM 591 C THR A 41 -16.660 10.633 2.207 1.00 0.46 C ATOM 592 O THR A 41 -17.843 10.894 1.979 1.00 0.75 O ATOM 593 CB THR A 41 -16.402 13.051 2.836 1.00 0.71 C ATOM 594 OG1 THR A 41 -15.462 14.135 2.879 1.00 1.41 O ATOM 595 CG2 THR A 41 -17.157 12.989 4.157 1.00 1.53 C ATOM 596 H THR A 41 -14.821 12.617 0.844 1.00 0.63 H ATOM 597 HA THR A 41 -15.126 11.449 3.461 1.00 0.61 H ATOM 598 HB THR A 41 -17.110 13.225 2.038 1.00 1.21 H ATOM 599 HG1 THR A 41 -14.665 13.842 3.343 1.00 2.01 H ATOM 600 HG21 THR A 41 -16.460 12.813 4.962 1.00 2.20 H ATOM 601 HG22 THR A 41 -17.876 12.185 4.121 1.00 1.98 H ATOM 602 HG23 THR A 41 -17.669 13.925 4.323 1.00 1.99 H ATOM 603 N GLN A 42 -16.165 9.407 2.138 1.00 0.41 N ATOM 604 CA GLN A 42 -16.994 8.244 1.866 1.00 0.35 C ATOM 605 C GLN A 42 -16.610 7.110 2.809 1.00 0.29 C ATOM 606 O GLN A 42 -15.428 6.907 3.089 1.00 0.31 O ATOM 607 CB GLN A 42 -16.829 7.799 0.408 1.00 0.39 C ATOM 608 CG GLN A 42 -17.488 8.731 -0.602 1.00 0.59 C ATOM 609 CD GLN A 42 -19.006 8.654 -0.587 1.00 1.37 C ATOM 610 OE1 GLN A 42 -19.626 8.360 0.435 1.00 1.89 O ATOM 611 NE2 GLN A 42 -19.618 8.922 -1.728 1.00 2.08 N ATOM 612 H GLN A 42 -15.202 9.278 2.276 1.00 0.63 H ATOM 613 HA GLN A 42 -18.024 8.517 2.041 1.00 0.42 H ATOM 614 HB2 GLN A 42 -15.775 7.748 0.180 1.00 0.38 H ATOM 615 HB3 GLN A 42 -17.261 6.816 0.293 1.00 0.38 H ATOM 616 HG2 GLN A 42 -17.196 9.747 -0.376 1.00 1.09 H ATOM 617 HG3 GLN A 42 -17.140 8.469 -1.591 1.00 1.13 H ATOM 618 HE21 GLN A 42 -19.069 9.150 -2.506 1.00 2.08 H ATOM 619 HE22 GLN A 42 -20.597 8.886 -1.746 1.00 2.81 H ATOM 620 N PRO A 43 -17.607 6.363 3.311 1.00 0.32 N ATOM 621 CA PRO A 43 -17.388 5.288 4.287 1.00 0.35 C ATOM 622 C PRO A 43 -16.525 4.164 3.721 1.00 0.31 C ATOM 623 O PRO A 43 -16.547 3.887 2.518 1.00 0.29 O ATOM 624 CB PRO A 43 -18.802 4.788 4.598 1.00 0.47 C ATOM 625 CG PRO A 43 -19.622 5.202 3.430 1.00 0.49 C ATOM 626 CD PRO A 43 -19.029 6.498 2.955 1.00 0.40 C ATOM 627 HA PRO A 43 -16.931 5.664 5.189 1.00 0.38 H ATOM 628 HB2 PRO A 43 -18.791 3.715 4.713 1.00 0.53 H ATOM 629 HB3 PRO A 43 -19.155 5.250 5.510 1.00 0.53 H ATOM 630 HG2 PRO A 43 -19.557 4.452 2.654 1.00 0.52 H ATOM 631 HG3 PRO A 43 -20.651 5.346 3.733 1.00 0.58 H ATOM 632 HD2 PRO A 43 -19.149 6.598 1.884 1.00 0.43 H ATOM 633 HD3 PRO A 43 -19.477 7.336 3.469 1.00 0.44 H ATOM 634 N LYS A 44 -15.786 3.506 4.609 1.00 0.33 N ATOM 635 CA LYS A 44 -14.750 2.557 4.211 1.00 0.34 C ATOM 636 C LYS A 44 -15.335 1.310 3.555 1.00 0.36 C ATOM 637 O LYS A 44 -14.630 0.587 2.860 1.00 0.44 O ATOM 638 CB LYS A 44 -13.886 2.164 5.417 1.00 0.43 C ATOM 639 CG LYS A 44 -14.611 1.342 6.471 1.00 0.49 C ATOM 640 CD LYS A 44 -13.714 1.068 7.668 1.00 0.66 C ATOM 641 CE LYS A 44 -14.364 0.115 8.657 1.00 1.06 C ATOM 642 NZ LYS A 44 -15.635 0.656 9.206 1.00 1.82 N1+ ATOM 643 H LYS A 44 -15.946 3.663 5.567 1.00 0.36 H ATOM 644 HA LYS A 44 -14.123 3.054 3.488 1.00 0.33 H ATOM 645 HB2 LYS A 44 -13.044 1.585 5.066 1.00 0.50 H ATOM 646 HB3 LYS A 44 -13.517 3.063 5.888 1.00 0.46 H ATOM 647 HG2 LYS A 44 -15.483 1.883 6.802 1.00 0.46 H ATOM 648 HG3 LYS A 44 -14.912 0.401 6.034 1.00 0.55 H ATOM 649 HD2 LYS A 44 -12.791 0.634 7.320 1.00 1.25 H ATOM 650 HD3 LYS A 44 -13.507 2.004 8.167 1.00 1.24 H ATOM 651 HE2 LYS A 44 -14.566 -0.817 8.156 1.00 1.52 H ATOM 652 HE3 LYS A 44 -13.676 -0.059 9.470 1.00 1.81 H ATOM 653 HZ1 LYS A 44 -16.295 0.881 8.436 1.00 2.15 H ATOM 654 HZ2 LYS A 44 -15.450 1.519 9.754 1.00 2.20 H ATOM 655 HZ3 LYS A 44 -16.078 -0.048 9.832 1.00 2.49 H ATOM 656 N ALA A 45 -16.620 1.065 3.776 1.00 0.40 N ATOM 657 CA ALA A 45 -17.290 -0.081 3.175 1.00 0.46 C ATOM 658 C ALA A 45 -17.759 0.232 1.758 1.00 0.48 C ATOM 659 O ALA A 45 -18.150 -0.663 1.012 1.00 0.58 O ATOM 660 CB ALA A 45 -18.467 -0.514 4.034 1.00 0.59 C ATOM 661 H ALA A 45 -17.124 1.657 4.373 1.00 0.42 H ATOM 662 HA ALA A 45 -16.584 -0.898 3.137 1.00 0.51 H ATOM 663 HB1 ALA A 45 -19.181 0.295 4.098 1.00 1.11 H ATOM 664 HB2 ALA A 45 -18.116 -0.765 5.023 1.00 1.18 H ATOM 665 HB3 ALA A 45 -18.939 -1.376 3.588 1.00 1.27 H ATOM 666 N SER A 46 -17.720 1.502 1.390 1.00 0.49 N ATOM 667 CA SER A 46 -18.159 1.922 0.069 1.00 0.63 C ATOM 668 C SER A 46 -16.972 2.386 -0.765 1.00 0.47 C ATOM 669 O SER A 46 -16.796 1.962 -1.909 1.00 0.61 O ATOM 670 CB SER A 46 -19.188 3.044 0.192 1.00 0.83 C ATOM 671 OG SER A 46 -20.226 2.676 1.082 1.00 1.51 O ATOM 672 H SER A 46 -17.382 2.174 2.020 1.00 0.47 H ATOM 673 HA SER A 46 -18.617 1.073 -0.415 1.00 0.80 H ATOM 674 HB2 SER A 46 -18.707 3.934 0.566 1.00 1.42 H ATOM 675 HB3 SER A 46 -19.616 3.246 -0.778 1.00 1.21 H ATOM 676 HG SER A 46 -20.301 1.714 1.103 1.00 1.86 H ATOM 677 N MET A 47 -16.156 3.250 -0.181 1.00 0.27 N ATOM 678 CA MET A 47 -14.992 3.786 -0.863 1.00 0.21 C ATOM 679 C MET A 47 -13.808 3.810 0.093 1.00 0.17 C ATOM 680 O MET A 47 -13.293 4.876 0.455 1.00 0.19 O ATOM 681 CB MET A 47 -15.281 5.195 -1.391 1.00 0.29 C ATOM 682 CG MET A 47 -14.184 5.763 -2.287 1.00 0.42 C ATOM 683 SD MET A 47 -14.024 4.889 -3.856 1.00 1.13 S ATOM 684 CE MET A 47 -15.583 5.293 -4.637 1.00 0.81 C ATOM 685 H MET A 47 -16.337 3.532 0.746 1.00 0.30 H ATOM 686 HA MET A 47 -14.760 3.133 -1.693 1.00 0.31 H ATOM 687 HB2 MET A 47 -16.204 5.173 -1.951 1.00 0.34 H ATOM 688 HB3 MET A 47 -15.405 5.860 -0.548 1.00 0.33 H ATOM 689 HG2 MET A 47 -14.408 6.799 -2.493 1.00 1.00 H ATOM 690 HG3 MET A 47 -13.242 5.698 -1.762 1.00 0.96 H ATOM 691 HE1 MET A 47 -16.393 4.856 -4.075 1.00 1.32 H ATOM 692 HE2 MET A 47 -15.592 4.902 -5.643 1.00 1.27 H ATOM 693 HE3 MET A 47 -15.703 6.366 -4.667 1.00 1.19 H ATOM 694 N GLY A 48 -13.411 2.629 0.532 1.00 0.14 N ATOM 695 CA GLY A 48 -12.267 2.511 1.401 1.00 0.12 C ATOM 696 C GLY A 48 -11.006 2.282 0.612 1.00 0.11 C ATOM 697 O GLY A 48 -11.053 1.768 -0.509 1.00 0.13 O ATOM 698 H GLY A 48 -13.891 1.823 0.247 1.00 0.15 H ATOM 699 HA2 GLY A 48 -12.166 3.421 1.976 1.00 0.14 H ATOM 700 HA3 GLY A 48 -12.417 1.678 2.075 1.00 0.14 H ATOM 701 N HIS A 49 -9.877 2.679 1.175 1.00 0.11 N ATOM 702 CA HIS A 49 -8.601 2.502 0.497 1.00 0.11 C ATOM 703 C HIS A 49 -7.556 1.968 1.460 1.00 0.12 C ATOM 704 O HIS A 49 -7.595 2.259 2.661 1.00 0.15 O ATOM 705 CB HIS A 49 -8.090 3.821 -0.104 1.00 0.12 C ATOM 706 CG HIS A 49 -8.970 4.427 -1.157 1.00 0.12 C ATOM 707 ND1 HIS A 49 -9.296 3.759 -2.312 1.00 0.13 N ATOM 708 CD2 HIS A 49 -9.536 5.654 -1.185 1.00 0.13 C ATOM 709 CE1 HIS A 49 -10.044 4.595 -3.010 1.00 0.14 C ATOM 710 NE2 HIS A 49 -10.217 5.759 -2.370 1.00 0.14 N ATOM 711 H HIS A 49 -9.897 3.089 2.064 1.00 0.12 H ATOM 712 HA HIS A 49 -8.744 1.783 -0.297 1.00 0.12 H ATOM 713 HB2 HIS A 49 -7.986 4.547 0.689 1.00 0.13 H ATOM 714 HB3 HIS A 49 -7.119 3.648 -0.550 1.00 0.13 H ATOM 715 HD2 HIS A 49 -9.462 6.414 -0.420 1.00 0.14 H ATOM 716 HE1 HIS A 49 -10.474 4.362 -3.974 1.00 0.16 H ATOM 717 HE2 HIS A 49 -10.486 6.602 -2.800 1.00 0.15 H ATOM 718 N ASN A 50 -6.637 1.180 0.930 1.00 0.12 N ATOM 719 CA ASN A 50 -5.496 0.700 1.690 1.00 0.19 C ATOM 720 C ASN A 50 -4.287 0.580 0.772 1.00 0.24 C ATOM 721 O ASN A 50 -4.431 0.461 -0.442 1.00 0.43 O ATOM 722 CB ASN A 50 -5.802 -0.651 2.362 1.00 0.29 C ATOM 723 CG ASN A 50 -6.051 -1.782 1.377 1.00 0.67 C ATOM 724 OD1 ASN A 50 -6.479 -1.568 0.245 1.00 1.48 O ATOM 725 ND2 ASN A 50 -5.814 -3.007 1.814 1.00 0.69 N ATOM 726 H ASN A 50 -6.730 0.902 -0.012 1.00 0.13 H ATOM 727 HA ASN A 50 -5.278 1.432 2.454 1.00 0.22 H ATOM 728 HB2 ASN A 50 -4.962 -0.927 2.983 1.00 0.88 H ATOM 729 HB3 ASN A 50 -6.676 -0.541 2.985 1.00 0.81 H ATOM 730 HD21 ASN A 50 -5.501 -3.121 2.734 1.00 0.74 H ATOM 731 HD22 ASN A 50 -5.968 -3.757 1.193 1.00 1.15 H ATOM 732 N LEU A 51 -3.100 0.646 1.342 1.00 0.17 N ATOM 733 CA LEU A 51 -1.882 0.541 0.562 1.00 0.17 C ATOM 734 C LEU A 51 -1.111 -0.704 0.980 1.00 0.17 C ATOM 735 O LEU A 51 -0.610 -0.796 2.104 1.00 0.20 O ATOM 736 CB LEU A 51 -1.035 1.814 0.723 1.00 0.18 C ATOM 737 CG LEU A 51 0.193 1.920 -0.189 1.00 0.20 C ATOM 738 CD1 LEU A 51 0.479 3.377 -0.517 1.00 0.20 C ATOM 739 CD2 LEU A 51 1.411 1.290 0.472 1.00 0.22 C ATOM 740 H LEU A 51 -3.040 0.767 2.318 1.00 0.22 H ATOM 741 HA LEU A 51 -2.168 0.438 -0.474 1.00 0.17 H ATOM 742 HB2 LEU A 51 -1.671 2.666 0.528 1.00 0.20 H ATOM 743 HB3 LEU A 51 -0.696 1.865 1.748 1.00 0.18 H ATOM 744 HG LEU A 51 -0.003 1.396 -1.112 1.00 0.22 H ATOM 745 HD11 LEU A 51 0.652 3.923 0.397 1.00 0.98 H ATOM 746 HD12 LEU A 51 -0.367 3.801 -1.036 1.00 1.05 H ATOM 747 HD13 LEU A 51 1.355 3.439 -1.144 1.00 1.02 H ATOM 748 HD21 LEU A 51 1.198 0.258 0.704 1.00 0.99 H ATOM 749 HD22 LEU A 51 1.643 1.823 1.382 1.00 0.92 H ATOM 750 HD23 LEU A 51 2.255 1.343 -0.200 1.00 0.92 H ATOM 751 N VAL A 52 -1.059 -1.671 0.081 1.00 0.17 N ATOM 752 CA VAL A 52 -0.376 -2.929 0.333 1.00 0.20 C ATOM 753 C VAL A 52 0.876 -3.044 -0.528 1.00 0.22 C ATOM 754 O VAL A 52 0.842 -2.736 -1.718 1.00 0.30 O ATOM 755 CB VAL A 52 -1.309 -4.126 0.044 1.00 0.25 C ATOM 756 CG1 VAL A 52 -0.614 -5.446 0.336 1.00 1.25 C ATOM 757 CG2 VAL A 52 -2.595 -4.007 0.847 1.00 1.46 C ATOM 758 H VAL A 52 -1.505 -1.537 -0.786 1.00 0.17 H ATOM 759 HA VAL A 52 -0.093 -2.956 1.373 1.00 0.22 H ATOM 760 HB VAL A 52 -1.563 -4.107 -1.005 1.00 1.12 H ATOM 761 HG11 VAL A 52 -0.339 -5.483 1.379 1.00 1.79 H ATOM 762 HG12 VAL A 52 0.274 -5.527 -0.275 1.00 1.83 H ATOM 763 HG13 VAL A 52 -1.284 -6.262 0.110 1.00 1.96 H ATOM 764 HG21 VAL A 52 -3.117 -3.104 0.563 1.00 2.06 H ATOM 765 HG22 VAL A 52 -2.362 -3.969 1.900 1.00 1.90 H ATOM 766 HG23 VAL A 52 -3.224 -4.861 0.651 1.00 2.13 H ATOM 767 N ILE A 53 1.972 -3.479 0.081 1.00 0.21 N ATOM 768 CA ILE A 53 3.233 -3.647 -0.628 1.00 0.23 C ATOM 769 C ILE A 53 3.662 -5.112 -0.635 1.00 0.19 C ATOM 770 O ILE A 53 3.804 -5.735 0.424 1.00 0.20 O ATOM 771 CB ILE A 53 4.353 -2.782 0.000 1.00 0.31 C ATOM 772 CG1 ILE A 53 4.049 -1.293 -0.200 1.00 0.45 C ATOM 773 CG2 ILE A 53 5.713 -3.136 -0.594 1.00 0.30 C ATOM 774 CD1 ILE A 53 5.091 -0.366 0.390 1.00 0.51 C ATOM 775 H ILE A 53 1.930 -3.700 1.039 1.00 0.23 H ATOM 776 HA ILE A 53 3.087 -3.324 -1.649 1.00 0.27 H ATOM 777 HB ILE A 53 4.385 -2.995 1.059 1.00 0.34 H ATOM 778 HG12 ILE A 53 3.988 -1.085 -1.258 1.00 1.04 H ATOM 779 HG13 ILE A 53 3.100 -1.063 0.262 1.00 0.88 H ATOM 780 HG21 ILE A 53 5.698 -2.950 -1.657 1.00 0.96 H ATOM 781 HG22 ILE A 53 5.924 -4.179 -0.414 1.00 1.05 H ATOM 782 HG23 ILE A 53 6.478 -2.528 -0.133 1.00 0.99 H ATOM 783 HD11 ILE A 53 6.051 -0.575 -0.057 1.00 1.10 H ATOM 784 HD12 ILE A 53 5.149 -0.521 1.458 1.00 1.31 H ATOM 785 HD13 ILE A 53 4.817 0.660 0.189 1.00 1.14 H ATOM 786 N ALA A 54 3.856 -5.651 -1.830 1.00 0.22 N ATOM 787 CA ALA A 54 4.298 -7.028 -1.998 1.00 0.27 C ATOM 788 C ALA A 54 5.198 -7.150 -3.224 1.00 0.31 C ATOM 789 O ALA A 54 5.277 -6.225 -4.035 1.00 0.30 O ATOM 790 CB ALA A 54 3.099 -7.954 -2.126 1.00 0.32 C ATOM 791 H ALA A 54 3.697 -5.102 -2.632 1.00 0.24 H ATOM 792 HA ALA A 54 4.859 -7.311 -1.119 1.00 0.30 H ATOM 793 HB1 ALA A 54 2.537 -7.694 -3.011 1.00 1.06 H ATOM 794 HB2 ALA A 54 2.469 -7.849 -1.256 1.00 0.96 H ATOM 795 HB3 ALA A 54 3.440 -8.976 -2.203 1.00 1.09 H ATOM 796 N LYS A 55 5.884 -8.282 -3.348 1.00 0.43 N ATOM 797 CA LYS A 55 6.763 -8.524 -4.490 1.00 0.52 C ATOM 798 C LYS A 55 5.956 -8.642 -5.774 1.00 0.53 C ATOM 799 O LYS A 55 4.868 -9.214 -5.789 1.00 0.64 O ATOM 800 CB LYS A 55 7.586 -9.800 -4.290 1.00 0.69 C ATOM 801 CG LYS A 55 8.670 -9.668 -3.235 1.00 1.04 C ATOM 802 CD LYS A 55 9.524 -10.923 -3.132 1.00 1.03 C ATOM 803 CE LYS A 55 10.240 -11.224 -4.440 1.00 1.01 C ATOM 804 NZ LYS A 55 11.109 -12.421 -4.333 1.00 1.46 N1+ ATOM 805 H LYS A 55 5.792 -8.974 -2.660 1.00 0.50 H ATOM 806 HA LYS A 55 7.433 -7.681 -4.575 1.00 0.50 H ATOM 807 HB2 LYS A 55 6.924 -10.600 -3.997 1.00 1.23 H ATOM 808 HB3 LYS A 55 8.055 -10.060 -5.227 1.00 1.22 H ATOM 809 HG2 LYS A 55 9.309 -8.837 -3.495 1.00 1.72 H ATOM 810 HG3 LYS A 55 8.205 -9.480 -2.278 1.00 1.63 H ATOM 811 HD2 LYS A 55 10.262 -10.777 -2.355 1.00 1.28 H ATOM 812 HD3 LYS A 55 8.888 -11.760 -2.876 1.00 1.25 H ATOM 813 HE2 LYS A 55 9.503 -11.397 -5.210 1.00 1.23 H ATOM 814 HE3 LYS A 55 10.847 -10.372 -4.710 1.00 1.32 H ATOM 815 HZ1 LYS A 55 11.572 -12.610 -5.245 1.00 1.94 H ATOM 816 HZ2 LYS A 55 10.544 -13.250 -4.065 1.00 1.67 H ATOM 817 HZ3 LYS A 55 11.847 -12.265 -3.607 1.00 2.05 H ATOM 818 N ALA A 56 6.521 -8.107 -6.851 1.00 0.49 N ATOM 819 CA ALA A 56 5.850 -8.046 -8.142 1.00 0.52 C ATOM 820 C ALA A 56 5.490 -9.428 -8.676 1.00 0.61 C ATOM 821 O ALA A 56 4.548 -9.568 -9.456 1.00 0.77 O ATOM 822 CB ALA A 56 6.726 -7.313 -9.145 1.00 0.53 C ATOM 823 H ALA A 56 7.429 -7.734 -6.773 1.00 0.48 H ATOM 824 HA ALA A 56 4.944 -7.474 -8.015 1.00 0.58 H ATOM 825 HB1 ALA A 56 6.206 -7.235 -10.089 1.00 0.99 H ATOM 826 HB2 ALA A 56 7.645 -7.863 -9.286 1.00 1.25 H ATOM 827 HB3 ALA A 56 6.952 -6.325 -8.773 1.00 1.19 H ATOM 828 N GLU A 57 6.236 -10.443 -8.261 1.00 0.65 N ATOM 829 CA GLU A 57 5.995 -11.804 -8.729 1.00 0.79 C ATOM 830 C GLU A 57 4.858 -12.478 -7.959 1.00 0.71 C ATOM 831 O GLU A 57 4.302 -13.476 -8.414 1.00 0.77 O ATOM 832 CB GLU A 57 7.275 -12.644 -8.635 1.00 1.01 C ATOM 833 CG GLU A 57 7.833 -12.787 -7.227 1.00 1.69 C ATOM 834 CD GLU A 57 9.117 -13.591 -7.192 1.00 2.26 C ATOM 835 OE1 GLU A 57 9.050 -14.838 -7.234 1.00 2.89 O ATOM 836 OE2 GLU A 57 10.204 -12.981 -7.114 1.00 2.58 O1- ATOM 837 H GLU A 57 6.977 -10.269 -7.644 1.00 0.68 H ATOM 838 HA GLU A 57 5.705 -11.739 -9.766 1.00 0.91 H ATOM 839 HB2 GLU A 57 7.068 -13.634 -9.014 1.00 1.33 H ATOM 840 HB3 GLU A 57 8.034 -12.188 -9.253 1.00 1.62 H ATOM 841 HG2 GLU A 57 8.030 -11.804 -6.828 1.00 2.35 H ATOM 842 HG3 GLU A 57 7.098 -13.284 -6.612 1.00 2.06 H ATOM 843 N ASP A 58 4.502 -11.927 -6.804 1.00 0.66 N ATOM 844 CA ASP A 58 3.461 -12.528 -5.969 1.00 0.71 C ATOM 845 C ASP A 58 2.338 -11.545 -5.671 1.00 0.65 C ATOM 846 O ASP A 58 1.479 -11.808 -4.829 1.00 0.65 O ATOM 847 CB ASP A 58 4.048 -13.046 -4.653 1.00 0.88 C ATOM 848 CG ASP A 58 4.772 -14.367 -4.816 1.00 1.36 C ATOM 849 OD1 ASP A 58 4.115 -15.383 -5.144 1.00 1.46 O ATOM 850 OD2 ASP A 58 6.005 -14.398 -4.622 1.00 2.15 O1- ATOM 851 H ASP A 58 4.932 -11.095 -6.510 1.00 0.66 H ATOM 852 HA ASP A 58 3.049 -13.363 -6.514 1.00 0.78 H ATOM 853 HB2 ASP A 58 4.747 -12.320 -4.268 1.00 1.12 H ATOM 854 HB3 ASP A 58 3.249 -13.179 -3.943 1.00 1.27 H ATOM 855 N MET A 59 2.337 -10.421 -6.374 1.00 0.64 N ATOM 856 CA MET A 59 1.375 -9.356 -6.117 1.00 0.64 C ATOM 857 C MET A 59 -0.042 -9.802 -6.465 1.00 0.60 C ATOM 858 O MET A 59 -0.997 -9.463 -5.765 1.00 0.57 O ATOM 859 CB MET A 59 1.738 -8.102 -6.920 1.00 0.78 C ATOM 860 CG MET A 59 0.984 -6.861 -6.475 1.00 0.58 C ATOM 861 SD MET A 59 1.360 -6.410 -4.770 1.00 0.65 S ATOM 862 CE MET A 59 0.325 -4.965 -4.561 1.00 0.35 C ATOM 863 H MET A 59 3.002 -10.304 -7.083 1.00 0.68 H ATOM 864 HA MET A 59 1.414 -9.120 -5.065 1.00 0.66 H ATOM 865 HB2 MET A 59 2.797 -7.912 -6.815 1.00 1.07 H ATOM 866 HB3 MET A 59 1.511 -8.279 -7.963 1.00 1.07 H ATOM 867 HG2 MET A 59 1.257 -6.039 -7.119 1.00 1.05 H ATOM 868 HG3 MET A 59 -0.075 -7.048 -6.559 1.00 1.16 H ATOM 869 HE1 MET A 59 0.452 -4.574 -3.563 1.00 0.98 H ATOM 870 HE2 MET A 59 -0.710 -5.239 -4.712 1.00 0.94 H ATOM 871 HE3 MET A 59 0.607 -4.212 -5.283 1.00 0.93 H ATOM 872 N ASP A 60 -0.170 -10.578 -7.535 1.00 0.65 N ATOM 873 CA ASP A 60 -1.476 -11.043 -7.993 1.00 0.72 C ATOM 874 C ASP A 60 -2.133 -11.932 -6.945 1.00 0.67 C ATOM 875 O ASP A 60 -3.333 -11.823 -6.686 1.00 0.70 O ATOM 876 CB ASP A 60 -1.350 -11.800 -9.316 1.00 0.87 C ATOM 877 CG ASP A 60 -2.688 -12.300 -9.826 1.00 1.41 C ATOM 878 OD1 ASP A 60 -3.447 -11.499 -10.405 1.00 1.42 O1- ATOM 879 OD2 ASP A 60 -2.989 -13.500 -9.647 1.00 2.27 O ATOM 880 H ASP A 60 0.634 -10.848 -8.027 1.00 0.68 H ATOM 881 HA ASP A 60 -2.095 -10.175 -8.147 1.00 0.75 H ATOM 882 HB2 ASP A 60 -0.925 -11.145 -10.061 1.00 1.22 H ATOM 883 HB3 ASP A 60 -0.699 -12.649 -9.175 1.00 1.25 H ATOM 884 N GLY A 61 -1.331 -12.795 -6.328 1.00 0.65 N ATOM 885 CA GLY A 61 -1.834 -13.680 -5.296 1.00 0.66 C ATOM 886 C GLY A 61 -2.306 -12.914 -4.081 1.00 0.59 C ATOM 887 O GLY A 61 -3.241 -13.329 -3.395 1.00 0.63 O ATOM 888 H GLY A 61 -0.381 -12.826 -6.575 1.00 0.66 H ATOM 889 HA2 GLY A 61 -2.660 -14.251 -5.695 1.00 0.71 H ATOM 890 HA3 GLY A 61 -1.047 -14.359 -5.001 1.00 0.68 H ATOM 891 N VAL A 62 -1.668 -11.778 -3.829 1.00 0.52 N ATOM 892 CA VAL A 62 -2.028 -10.926 -2.708 1.00 0.48 C ATOM 893 C VAL A 62 -3.458 -10.407 -2.861 1.00 0.45 C ATOM 894 O VAL A 62 -4.225 -10.389 -1.899 1.00 0.46 O ATOM 895 CB VAL A 62 -1.040 -9.744 -2.565 1.00 0.48 C ATOM 896 CG1 VAL A 62 -1.497 -8.773 -1.488 1.00 0.46 C ATOM 897 CG2 VAL A 62 0.359 -10.256 -2.247 1.00 0.55 C ATOM 898 H VAL A 62 -0.933 -11.504 -4.422 1.00 0.50 H ATOM 899 HA VAL A 62 -1.970 -11.525 -1.810 1.00 0.51 H ATOM 900 HB VAL A 62 -1.002 -9.215 -3.507 1.00 0.50 H ATOM 901 HG11 VAL A 62 -2.475 -8.390 -1.740 1.00 1.09 H ATOM 902 HG12 VAL A 62 -0.796 -7.956 -1.422 1.00 1.02 H ATOM 903 HG13 VAL A 62 -1.544 -9.285 -0.538 1.00 1.22 H ATOM 904 HG21 VAL A 62 0.335 -10.822 -1.327 1.00 1.09 H ATOM 905 HG22 VAL A 62 1.032 -9.418 -2.134 1.00 1.23 H ATOM 906 HG23 VAL A 62 0.706 -10.890 -3.050 1.00 1.16 H ATOM 907 N PHE A 63 -3.820 -10.013 -4.079 1.00 0.45 N ATOM 908 CA PHE A 63 -5.182 -9.555 -4.357 1.00 0.45 C ATOM 909 C PHE A 63 -6.181 -10.689 -4.156 1.00 0.49 C ATOM 910 O PHE A 63 -7.300 -10.470 -3.692 1.00 0.53 O ATOM 911 CB PHE A 63 -5.309 -9.017 -5.787 1.00 0.47 C ATOM 912 CG PHE A 63 -4.507 -7.775 -6.046 1.00 0.39 C ATOM 913 CD1 PHE A 63 -4.848 -6.576 -5.444 1.00 0.31 C ATOM 914 CD2 PHE A 63 -3.410 -7.807 -6.891 1.00 0.48 C ATOM 915 CE1 PHE A 63 -4.111 -5.432 -5.677 1.00 0.30 C ATOM 916 CE2 PHE A 63 -2.670 -6.666 -7.129 1.00 0.46 C ATOM 917 CZ PHE A 63 -3.028 -5.476 -6.532 1.00 0.35 C ATOM 918 H PHE A 63 -3.157 -10.024 -4.802 1.00 0.46 H ATOM 919 HA PHE A 63 -5.413 -8.762 -3.662 1.00 0.43 H ATOM 920 HB2 PHE A 63 -4.976 -9.776 -6.481 1.00 0.53 H ATOM 921 HB3 PHE A 63 -6.348 -8.788 -5.984 1.00 0.52 H ATOM 922 HD1 PHE A 63 -5.700 -6.538 -4.785 1.00 0.35 H ATOM 923 HD2 PHE A 63 -3.135 -8.736 -7.367 1.00 0.61 H ATOM 924 HE1 PHE A 63 -4.390 -4.503 -5.200 1.00 0.34 H ATOM 925 HE2 PHE A 63 -1.818 -6.704 -7.791 1.00 0.57 H ATOM 926 HZ PHE A 63 -2.452 -4.582 -6.722 1.00 0.38 H ATOM 927 N LYS A 64 -5.759 -11.904 -4.491 1.00 0.51 N ATOM 928 CA LYS A 64 -6.624 -13.074 -4.382 1.00 0.57 C ATOM 929 C LYS A 64 -6.995 -13.328 -2.929 1.00 0.57 C ATOM 930 O LYS A 64 -8.122 -13.715 -2.622 1.00 0.61 O ATOM 931 CB LYS A 64 -5.943 -14.314 -4.966 1.00 0.67 C ATOM 932 CG LYS A 64 -5.475 -14.149 -6.405 1.00 1.35 C ATOM 933 CD LYS A 64 -6.601 -13.695 -7.317 1.00 1.76 C ATOM 934 CE LYS A 64 -6.118 -13.515 -8.744 1.00 2.16 C ATOM 935 NZ LYS A 64 -7.205 -13.048 -9.640 1.00 3.03 N1+ ATOM 936 H LYS A 64 -4.839 -12.018 -4.812 1.00 0.50 H ATOM 937 HA LYS A 64 -7.527 -12.872 -4.940 1.00 0.58 H ATOM 938 HB2 LYS A 64 -5.083 -14.553 -4.358 1.00 1.09 H ATOM 939 HB3 LYS A 64 -6.636 -15.142 -4.929 1.00 1.26 H ATOM 940 HG2 LYS A 64 -4.685 -13.414 -6.436 1.00 2.07 H ATOM 941 HG3 LYS A 64 -5.098 -15.097 -6.759 1.00 1.82 H ATOM 942 HD2 LYS A 64 -7.385 -14.437 -7.303 1.00 2.15 H ATOM 943 HD3 LYS A 64 -6.988 -12.753 -6.956 1.00 2.21 H ATOM 944 HE2 LYS A 64 -5.319 -12.789 -8.753 1.00 2.42 H ATOM 945 HE3 LYS A 64 -5.747 -14.462 -9.106 1.00 2.40 H ATOM 946 HZ1 LYS A 64 -8.015 -13.697 -9.585 1.00 3.31 H ATOM 947 HZ2 LYS A 64 -6.871 -13.015 -10.623 1.00 3.57 H ATOM 948 HZ3 LYS A 64 -7.518 -12.097 -9.360 1.00 3.40 H ATOM 949 N ASP A 65 -6.034 -13.112 -2.041 1.00 0.58 N ATOM 950 CA ASP A 65 -6.272 -13.255 -0.610 1.00 0.62 C ATOM 951 C ASP A 65 -7.064 -12.072 -0.093 1.00 0.54 C ATOM 952 O ASP A 65 -7.920 -12.217 0.776 1.00 0.59 O ATOM 953 CB ASP A 65 -4.956 -13.333 0.164 1.00 0.74 C ATOM 954 CG ASP A 65 -4.058 -14.459 -0.289 1.00 1.35 C ATOM 955 OD1 ASP A 65 -4.529 -15.610 -0.379 1.00 1.26 O ATOM 956 OD2 ASP A 65 -2.861 -14.198 -0.526 1.00 2.28 O1- ATOM 957 H ASP A 65 -5.139 -12.855 -2.357 1.00 0.58 H ATOM 958 HA ASP A 65 -6.836 -14.160 -0.449 1.00 0.69 H ATOM 959 HB2 ASP A 65 -4.421 -12.404 0.037 1.00 0.93 H ATOM 960 HB3 ASP A 65 -5.174 -13.472 1.212 1.00 1.05 H ATOM 961 N GLY A 66 -6.767 -10.904 -0.647 1.00 0.50 N ATOM 962 CA GLY A 66 -7.353 -9.670 -0.170 1.00 0.47 C ATOM 963 C GLY A 66 -8.862 -9.656 -0.250 1.00 0.43 C ATOM 964 O GLY A 66 -9.539 -9.372 0.738 1.00 0.40 O ATOM 965 H GLY A 66 -6.133 -10.882 -1.396 1.00 0.54 H ATOM 966 HA2 GLY A 66 -7.061 -9.527 0.859 1.00 0.50 H ATOM 967 HA3 GLY A 66 -6.965 -8.851 -0.759 1.00 0.49 H ATOM 968 N VAL A 67 -9.392 -9.996 -1.414 1.00 0.49 N ATOM 969 CA VAL A 67 -10.831 -9.959 -1.639 1.00 0.52 C ATOM 970 C VAL A 67 -11.548 -10.988 -0.758 1.00 0.52 C ATOM 971 O VAL A 67 -12.755 -10.896 -0.519 1.00 0.59 O ATOM 972 CB VAL A 67 -11.165 -10.209 -3.129 1.00 0.66 C ATOM 973 CG1 VAL A 67 -12.654 -10.035 -3.397 1.00 1.04 C ATOM 974 CG2 VAL A 67 -10.358 -9.277 -4.025 1.00 0.92 C ATOM 975 H VAL A 67 -8.798 -10.280 -2.144 1.00 0.54 H ATOM 976 HA VAL A 67 -11.182 -8.973 -1.373 1.00 0.51 H ATOM 977 HB VAL A 67 -10.894 -11.227 -3.372 1.00 0.94 H ATOM 978 HG11 VAL A 67 -13.212 -10.720 -2.778 1.00 1.46 H ATOM 979 HG12 VAL A 67 -12.859 -10.239 -4.436 1.00 1.63 H ATOM 980 HG13 VAL A 67 -12.944 -9.021 -3.164 1.00 1.43 H ATOM 981 HG21 VAL A 67 -10.633 -9.443 -5.056 1.00 1.54 H ATOM 982 HG22 VAL A 67 -9.304 -9.476 -3.897 1.00 1.46 H ATOM 983 HG23 VAL A 67 -10.566 -8.252 -3.758 1.00 1.24 H ATOM 984 N GLY A 68 -10.793 -11.952 -0.248 1.00 0.50 N ATOM 985 CA GLY A 68 -11.368 -12.973 0.601 1.00 0.53 C ATOM 986 C GLY A 68 -11.094 -12.739 2.075 1.00 0.43 C ATOM 987 O GLY A 68 -11.422 -13.580 2.912 1.00 0.51 O ATOM 988 H GLY A 68 -9.832 -11.966 -0.447 1.00 0.51 H ATOM 989 HA2 GLY A 68 -12.437 -12.990 0.446 1.00 0.59 H ATOM 990 HA3 GLY A 68 -10.960 -13.933 0.319 1.00 0.62 H ATOM 991 N ALA A 69 -10.508 -11.593 2.405 1.00 0.38 N ATOM 992 CA ALA A 69 -10.151 -11.295 3.786 1.00 0.32 C ATOM 993 C ALA A 69 -10.728 -9.958 4.241 1.00 0.29 C ATOM 994 O ALA A 69 -9.994 -9.058 4.652 1.00 0.31 O ATOM 995 CB ALA A 69 -8.640 -11.307 3.957 1.00 0.35 C ATOM 996 H ALA A 69 -10.308 -10.933 1.703 1.00 0.44 H ATOM 997 HA ALA A 69 -10.562 -12.077 4.407 1.00 0.37 H ATOM 998 HB1 ALA A 69 -8.248 -12.257 3.625 1.00 0.99 H ATOM 999 HB2 ALA A 69 -8.394 -11.160 5.000 1.00 0.96 H ATOM 1000 HB3 ALA A 69 -8.207 -10.512 3.370 1.00 1.00 H ATOM 1001 N ALA A 70 -12.048 -9.838 4.182 1.00 0.33 N ATOM 1002 CA ALA A 70 -12.734 -8.634 4.646 1.00 0.41 C ATOM 1003 C ALA A 70 -12.628 -8.501 6.162 1.00 0.50 C ATOM 1004 O ALA A 70 -12.910 -7.441 6.725 1.00 0.62 O ATOM 1005 CB ALA A 70 -14.196 -8.663 4.229 1.00 0.52 C ATOM 1006 H ALA A 70 -12.579 -10.580 3.814 1.00 0.38 H ATOM 1007 HA ALA A 70 -12.265 -7.778 4.184 1.00 0.42 H ATOM 1008 HB1 ALA A 70 -14.683 -9.512 4.686 1.00 1.29 H ATOM 1009 HB2 ALA A 70 -14.264 -8.746 3.154 1.00 1.12 H ATOM 1010 HB3 ALA A 70 -14.682 -7.755 4.552 1.00 0.97 H ATOM 1011 N ASP A 71 -12.216 -9.589 6.800 1.00 0.53 N ATOM 1012 CA ASP A 71 -12.071 -9.652 8.250 1.00 0.70 C ATOM 1013 C ASP A 71 -11.174 -8.538 8.778 1.00 0.64 C ATOM 1014 O ASP A 71 -11.510 -7.870 9.754 1.00 0.84 O ATOM 1015 CB ASP A 71 -11.494 -11.012 8.652 1.00 0.91 C ATOM 1016 CG ASP A 71 -11.286 -11.137 10.145 1.00 1.72 C ATOM 1017 OD1 ASP A 71 -12.291 -11.219 10.882 1.00 2.44 O ATOM 1018 OD2 ASP A 71 -10.120 -11.184 10.586 1.00 2.17 O1- ATOM 1019 H ASP A 71 -12.013 -10.391 6.272 1.00 0.50 H ATOM 1020 HA ASP A 71 -13.051 -9.546 8.686 1.00 0.86 H ATOM 1021 HB2 ASP A 71 -12.173 -11.790 8.337 1.00 1.43 H ATOM 1022 HB3 ASP A 71 -10.542 -11.151 8.161 1.00 1.34 H ATOM 1023 N THR A 72 -10.044 -8.331 8.121 1.00 0.48 N ATOM 1024 CA THR A 72 -9.077 -7.352 8.576 1.00 0.53 C ATOM 1025 C THR A 72 -9.150 -6.069 7.752 1.00 0.65 C ATOM 1026 O THR A 72 -9.910 -5.151 8.070 1.00 1.42 O ATOM 1027 CB THR A 72 -7.648 -7.927 8.510 1.00 0.64 C ATOM 1028 OG1 THR A 72 -7.430 -8.510 7.216 1.00 1.26 O ATOM 1029 CG2 THR A 72 -7.427 -8.978 9.588 1.00 1.46 C ATOM 1030 H THR A 72 -9.858 -8.844 7.307 1.00 0.43 H ATOM 1031 HA THR A 72 -9.297 -7.118 9.606 1.00 0.60 H ATOM 1032 HB THR A 72 -6.942 -7.121 8.658 1.00 1.46 H ATOM 1033 HG1 THR A 72 -6.656 -9.090 7.245 1.00 1.47 H ATOM 1034 HG21 THR A 72 -7.547 -8.526 10.562 1.00 2.06 H ATOM 1035 HG22 THR A 72 -6.428 -9.381 9.498 1.00 1.97 H ATOM 1036 HG23 THR A 72 -8.148 -9.773 9.468 1.00 1.93 H ATOM 1037 N ASP A 73 -8.372 -6.033 6.682 1.00 0.59 N ATOM 1038 CA ASP A 73 -8.299 -4.880 5.795 1.00 0.55 C ATOM 1039 C ASP A 73 -8.134 -5.360 4.366 1.00 0.43 C ATOM 1040 O ASP A 73 -7.434 -4.739 3.569 1.00 0.47 O ATOM 1041 CB ASP A 73 -7.117 -3.975 6.163 1.00 0.69 C ATOM 1042 CG ASP A 73 -7.205 -3.429 7.570 1.00 1.25 C ATOM 1043 OD1 ASP A 73 -8.049 -2.544 7.817 1.00 1.66 O ATOM 1044 OD2 ASP A 73 -6.423 -3.876 8.435 1.00 1.50 O1- ATOM 1045 H ASP A 73 -7.818 -6.819 6.481 1.00 1.12 H ATOM 1046 HA ASP A 73 -9.221 -4.325 5.882 1.00 0.57 H ATOM 1047 HB2 ASP A 73 -6.202 -4.541 6.076 1.00 0.89 H ATOM 1048 HB3 ASP A 73 -7.085 -3.142 5.475 1.00 0.83 H ATOM 1049 N TYR A 74 -8.773 -6.487 4.064 1.00 0.33 N ATOM 1050 CA TYR A 74 -8.623 -7.151 2.775 1.00 0.28 C ATOM 1051 C TYR A 74 -7.174 -7.587 2.574 1.00 0.35 C ATOM 1052 O TYR A 74 -6.570 -7.359 1.525 1.00 0.37 O ATOM 1053 CB TYR A 74 -9.113 -6.259 1.626 1.00 0.32 C ATOM 1054 CG TYR A 74 -10.601 -5.993 1.683 1.00 0.36 C ATOM 1055 CD1 TYR A 74 -11.518 -7.006 1.444 1.00 0.41 C ATOM 1056 CD2 TYR A 74 -11.086 -4.721 1.956 1.00 0.44 C ATOM 1057 CE1 TYR A 74 -12.878 -6.760 1.476 1.00 0.50 C ATOM 1058 CE2 TYR A 74 -12.443 -4.467 1.993 1.00 0.54 C ATOM 1059 CZ TYR A 74 -13.338 -5.516 1.823 1.00 0.57 C ATOM 1060 OH TYR A 74 -14.692 -5.245 1.784 1.00 0.68 O ATOM 1061 H TYR A 74 -9.364 -6.890 4.735 1.00 0.32 H ATOM 1062 HA TYR A 74 -9.238 -8.040 2.805 1.00 0.24 H ATOM 1063 HB2 TYR A 74 -8.603 -5.308 1.672 1.00 0.35 H ATOM 1064 HB3 TYR A 74 -8.895 -6.742 0.683 1.00 0.35 H ATOM 1065 HD1 TYR A 74 -11.155 -8.001 1.230 1.00 0.42 H ATOM 1066 HD2 TYR A 74 -10.383 -3.921 2.145 1.00 0.47 H ATOM 1067 HE1 TYR A 74 -13.575 -7.562 1.289 1.00 0.57 H ATOM 1068 HE2 TYR A 74 -12.799 -3.472 2.209 1.00 0.63 H ATOM 1069 HH TYR A 74 -14.887 -4.442 1.282 1.00 1.20 H ATOM 1070 N VAL A 75 -6.632 -8.201 3.624 1.00 0.45 N ATOM 1071 CA VAL A 75 -5.292 -8.778 3.626 1.00 0.57 C ATOM 1072 C VAL A 75 -5.277 -9.976 4.568 1.00 0.62 C ATOM 1073 O VAL A 75 -5.767 -9.884 5.692 1.00 0.66 O ATOM 1074 CB VAL A 75 -4.208 -7.766 4.083 1.00 0.72 C ATOM 1075 CG1 VAL A 75 -3.895 -6.763 2.983 1.00 1.12 C ATOM 1076 CG2 VAL A 75 -4.642 -7.041 5.350 1.00 1.38 C ATOM 1077 H VAL A 75 -7.165 -8.276 4.442 1.00 0.49 H ATOM 1078 HA VAL A 75 -5.061 -9.109 2.624 1.00 0.59 H ATOM 1079 HB VAL A 75 -3.304 -8.315 4.305 1.00 1.13 H ATOM 1080 HG11 VAL A 75 -3.535 -7.285 2.109 1.00 1.63 H ATOM 1081 HG12 VAL A 75 -3.139 -6.075 3.328 1.00 1.69 H ATOM 1082 HG13 VAL A 75 -4.790 -6.216 2.731 1.00 1.57 H ATOM 1083 HG21 VAL A 75 -3.867 -6.354 5.656 1.00 1.62 H ATOM 1084 HG22 VAL A 75 -4.815 -7.762 6.136 1.00 1.91 H ATOM 1085 HG23 VAL A 75 -5.553 -6.493 5.157 1.00 2.03 H ATOM 1156 N ARG A 81 3.958 -12.803 2.211 1.00 0.61 N ATOM 1157 CA ARG A 81 4.202 -12.173 0.915 1.00 0.73 C ATOM 1158 C ARG A 81 3.929 -10.679 1.002 1.00 0.72 C ATOM 1159 O ARG A 81 4.442 -9.888 0.213 1.00 0.96 O ATOM 1160 CB ARG A 81 3.324 -12.802 -0.173 1.00 0.87 C ATOM 1161 CG ARG A 81 3.727 -14.220 -0.538 1.00 1.31 C ATOM 1162 CD ARG A 81 2.789 -14.822 -1.572 1.00 1.36 C ATOM 1163 NE ARG A 81 3.275 -16.111 -2.059 1.00 1.55 N ATOM 1164 CZ ARG A 81 2.538 -16.975 -2.756 1.00 1.73 C ATOM 1165 NH1 ARG A 81 1.263 -16.716 -3.013 1.00 1.75 N1+ ATOM 1166 NH2 ARG A 81 3.082 -18.104 -3.196 1.00 2.33 N ATOM 1167 H ARG A 81 3.159 -13.360 2.331 1.00 0.67 H ATOM 1168 HA ARG A 81 5.241 -12.322 0.662 1.00 0.82 H ATOM 1169 HB2 ARG A 81 2.300 -12.818 0.171 1.00 1.12 H ATOM 1170 HB3 ARG A 81 3.384 -12.194 -1.064 1.00 1.38 H ATOM 1171 HG2 ARG A 81 4.729 -14.208 -0.943 1.00 1.85 H ATOM 1172 HG3 ARG A 81 3.706 -14.830 0.354 1.00 1.67 H ATOM 1173 HD2 ARG A 81 1.815 -14.960 -1.123 1.00 1.74 H ATOM 1174 HD3 ARG A 81 2.706 -14.141 -2.404 1.00 1.46 H ATOM 1175 HE ARG A 81 4.215 -16.335 -1.868 1.00 1.91 H ATOM 1176 HH11 ARG A 81 0.841 -15.868 -2.679 1.00 1.86 H ATOM 1177 HH12 ARG A 81 0.712 -17.367 -3.541 1.00 1.99 H ATOM 1178 HH21 ARG A 81 4.046 -18.308 -3.002 1.00 2.76 H ATOM 1179 HH22 ARG A 81 2.532 -18.759 -3.722 1.00 2.50 H ATOM 1180 N VAL A 82 3.115 -10.308 1.976 1.00 0.60 N ATOM 1181 CA VAL A 82 2.807 -8.917 2.229 1.00 0.62 C ATOM 1182 C VAL A 82 3.828 -8.341 3.194 1.00 0.58 C ATOM 1183 O VAL A 82 3.880 -8.733 4.361 1.00 0.74 O ATOM 1184 CB VAL A 82 1.392 -8.751 2.820 1.00 0.69 C ATOM 1185 CG1 VAL A 82 1.074 -7.280 3.046 1.00 0.77 C ATOM 1186 CG2 VAL A 82 0.349 -9.392 1.915 1.00 0.78 C ATOM 1187 H VAL A 82 2.726 -10.992 2.554 1.00 0.66 H ATOM 1188 HA VAL A 82 2.859 -8.381 1.293 1.00 0.67 H ATOM 1189 HB VAL A 82 1.366 -9.253 3.777 1.00 0.70 H ATOM 1190 HG11 VAL A 82 1.122 -6.753 2.105 1.00 1.45 H ATOM 1191 HG12 VAL A 82 1.794 -6.858 3.732 1.00 1.13 H ATOM 1192 HG13 VAL A 82 0.082 -7.186 3.462 1.00 1.19 H ATOM 1193 HG21 VAL A 82 -0.630 -9.277 2.356 1.00 0.97 H ATOM 1194 HG22 VAL A 82 0.570 -10.443 1.798 1.00 1.28 H ATOM 1195 HG23 VAL A 82 0.366 -8.910 0.948 1.00 1.41 H ATOM 1196 N VAL A 83 4.645 -7.427 2.701 1.00 0.42 N ATOM 1197 CA VAL A 83 5.690 -6.830 3.513 1.00 0.42 C ATOM 1198 C VAL A 83 5.117 -5.736 4.403 1.00 0.38 C ATOM 1199 O VAL A 83 5.489 -5.611 5.569 1.00 0.43 O ATOM 1200 CB VAL A 83 6.825 -6.255 2.639 1.00 0.47 C ATOM 1201 CG1 VAL A 83 7.868 -5.548 3.491 1.00 0.65 C ATOM 1202 CG2 VAL A 83 7.472 -7.360 1.819 1.00 0.91 C ATOM 1203 H VAL A 83 4.541 -7.143 1.766 1.00 0.38 H ATOM 1204 HA VAL A 83 6.105 -7.605 4.139 1.00 0.49 H ATOM 1205 HB VAL A 83 6.397 -5.535 1.957 1.00 0.82 H ATOM 1206 HG11 VAL A 83 8.641 -5.145 2.855 1.00 1.34 H ATOM 1207 HG12 VAL A 83 8.303 -6.253 4.183 1.00 1.30 H ATOM 1208 HG13 VAL A 83 7.398 -4.747 4.040 1.00 1.08 H ATOM 1209 HG21 VAL A 83 8.300 -6.952 1.260 1.00 1.50 H ATOM 1210 HG22 VAL A 83 6.745 -7.776 1.137 1.00 1.51 H ATOM 1211 HG23 VAL A 83 7.832 -8.135 2.481 1.00 1.23 H ATOM 1212 N ALA A 84 4.193 -4.966 3.852 1.00 0.35 N ATOM 1213 CA ALA A 84 3.572 -3.876 4.585 1.00 0.34 C ATOM 1214 C ALA A 84 2.181 -3.593 4.041 1.00 0.31 C ATOM 1215 O ALA A 84 1.901 -3.862 2.871 1.00 0.31 O ATOM 1216 CB ALA A 84 4.434 -2.627 4.509 1.00 0.36 C ATOM 1217 H ALA A 84 3.913 -5.138 2.929 1.00 0.37 H ATOM 1218 HA ALA A 84 3.492 -4.172 5.622 1.00 0.35 H ATOM 1219 HB1 ALA A 84 5.431 -2.858 4.855 1.00 1.15 H ATOM 1220 HB2 ALA A 84 4.006 -1.856 5.130 1.00 0.95 H ATOM 1221 HB3 ALA A 84 4.478 -2.283 3.486 1.00 1.12 H ATOM 1222 N HIS A 85 1.310 -3.064 4.890 1.00 0.30 N ATOM 1223 CA HIS A 85 -0.052 -2.730 4.488 1.00 0.28 C ATOM 1224 C HIS A 85 -0.693 -1.784 5.491 1.00 0.28 C ATOM 1225 O HIS A 85 -0.527 -1.945 6.699 1.00 0.36 O ATOM 1226 CB HIS A 85 -0.915 -3.996 4.347 1.00 0.31 C ATOM 1227 CG HIS A 85 -1.019 -4.822 5.598 1.00 0.78 C ATOM 1228 ND1 HIS A 85 -2.144 -4.855 6.394 1.00 0.86 N ATOM 1229 CD2 HIS A 85 -0.135 -5.673 6.170 1.00 1.53 C ATOM 1230 CE1 HIS A 85 -1.943 -5.690 7.397 1.00 1.53 C ATOM 1231 NE2 HIS A 85 -0.733 -6.202 7.283 1.00 1.96 N ATOM 1232 H HIS A 85 1.591 -2.886 5.818 1.00 0.33 H ATOM 1233 HA HIS A 85 0.003 -2.234 3.529 1.00 0.27 H ATOM 1234 HB2 HIS A 85 -1.916 -3.705 4.065 1.00 0.53 H ATOM 1235 HB3 HIS A 85 -0.500 -4.621 3.571 1.00 0.79 H ATOM 1236 HD1 HIS A 85 -2.965 -4.336 6.252 1.00 0.68 H ATOM 1237 HD2 HIS A 85 0.862 -5.891 5.817 1.00 1.78 H ATOM 1238 HE1 HIS A 85 -2.653 -5.922 8.175 1.00 1.75 H ATOM 1239 HE2 HIS A 85 -0.429 -7.026 7.740 1.00 2.53 H ATOM 1240 N THR A 86 -1.413 -0.795 4.985 1.00 0.25 N ATOM 1241 CA THR A 86 -2.162 0.109 5.839 1.00 0.27 C ATOM 1242 C THR A 86 -3.531 -0.487 6.145 1.00 0.31 C ATOM 1243 O THR A 86 -4.007 -1.371 5.426 1.00 0.50 O ATOM 1244 CB THR A 86 -2.360 1.494 5.182 1.00 0.24 C ATOM 1245 OG1 THR A 86 -3.064 1.354 3.943 1.00 0.27 O ATOM 1246 CG2 THR A 86 -1.030 2.192 4.930 1.00 0.29 C ATOM 1247 H THR A 86 -1.444 -0.671 4.011 1.00 0.25 H ATOM 1248 HA THR A 86 -1.614 0.238 6.762 1.00 0.29 H ATOM 1249 HB THR A 86 -2.948 2.108 5.848 1.00 0.26 H ATOM 1250 HG1 THR A 86 -3.956 1.704 4.047 1.00 0.75 H ATOM 1251 HG21 THR A 86 -0.453 2.212 5.843 1.00 0.87 H ATOM 1252 HG22 THR A 86 -1.214 3.203 4.599 1.00 0.95 H ATOM 1253 HG23 THR A 86 -0.483 1.659 4.168 1.00 0.93 H ATOM 1254 N LYS A 87 -4.145 -0.019 7.216 1.00 0.29 N ATOM 1255 CA LYS A 87 -5.491 -0.436 7.567 1.00 0.32 C ATOM 1256 C LYS A 87 -6.508 0.360 6.755 1.00 0.29 C ATOM 1257 O LYS A 87 -6.227 1.484 6.326 1.00 0.35 O ATOM 1258 CB LYS A 87 -5.721 -0.236 9.068 1.00 0.40 C ATOM 1259 CG LYS A 87 -4.707 -0.977 9.924 1.00 1.07 C ATOM 1260 CD LYS A 87 -4.853 -0.634 11.396 1.00 1.29 C ATOM 1261 CE LYS A 87 -3.783 -1.317 12.232 1.00 1.83 C ATOM 1262 NZ LYS A 87 -2.410 -0.956 11.786 1.00 2.85 N1+ ATOM 1263 H LYS A 87 -3.678 0.621 7.794 1.00 0.36 H ATOM 1264 HA LYS A 87 -5.591 -1.483 7.327 1.00 0.38 H ATOM 1265 HB2 LYS A 87 -5.657 0.816 9.297 1.00 0.79 H ATOM 1266 HB3 LYS A 87 -6.706 -0.594 9.322 1.00 0.87 H ATOM 1267 HG2 LYS A 87 -4.853 -2.039 9.800 1.00 1.64 H ATOM 1268 HG3 LYS A 87 -3.712 -0.709 9.599 1.00 1.57 H ATOM 1269 HD2 LYS A 87 -4.764 0.435 11.517 1.00 1.84 H ATOM 1270 HD3 LYS A 87 -5.825 -0.958 11.736 1.00 1.73 H ATOM 1271 HE2 LYS A 87 -3.906 -1.019 13.262 1.00 2.18 H ATOM 1272 HE3 LYS A 87 -3.909 -2.386 12.151 1.00 2.18 H ATOM 1273 HZ1 LYS A 87 -1.703 -1.405 12.402 1.00 3.32 H ATOM 1274 HZ2 LYS A 87 -2.278 0.074 11.822 1.00 3.32 H ATOM 1275 HZ3 LYS A 87 -2.254 -1.281 10.809 1.00 3.19 H ATOM 1276 N LEU A 88 -7.677 -0.235 6.538 1.00 0.30 N ATOM 1277 CA LEU A 88 -8.737 0.396 5.760 1.00 0.37 C ATOM 1278 C LEU A 88 -9.161 1.710 6.389 1.00 0.36 C ATOM 1279 O LEU A 88 -9.441 1.775 7.587 1.00 0.50 O ATOM 1280 CB LEU A 88 -9.958 -0.518 5.643 1.00 0.52 C ATOM 1281 CG LEU A 88 -9.855 -1.657 4.626 1.00 0.56 C ATOM 1282 CD1 LEU A 88 -11.150 -2.455 4.617 1.00 1.24 C ATOM 1283 CD2 LEU A 88 -9.555 -1.115 3.232 1.00 0.92 C ATOM 1284 H LEU A 88 -7.835 -1.130 6.927 1.00 0.33 H ATOM 1285 HA LEU A 88 -8.350 0.595 4.773 1.00 0.37 H ATOM 1286 HB2 LEU A 88 -10.140 -0.955 6.614 1.00 1.08 H ATOM 1287 HB3 LEU A 88 -10.810 0.090 5.379 1.00 0.96 H ATOM 1288 HG LEU A 88 -9.052 -2.322 4.911 1.00 1.28 H ATOM 1289 HD11 LEU A 88 -11.371 -2.797 5.618 1.00 1.77 H ATOM 1290 HD12 LEU A 88 -11.043 -3.308 3.966 1.00 1.65 H ATOM 1291 HD13 LEU A 88 -11.957 -1.830 4.263 1.00 1.90 H ATOM 1292 HD21 LEU A 88 -8.629 -0.562 3.249 1.00 1.61 H ATOM 1293 HD22 LEU A 88 -10.357 -0.462 2.917 1.00 1.43 H ATOM 1294 HD23 LEU A 88 -9.469 -1.936 2.536 1.00 1.41 H ATOM 1295 N ILE A 89 -9.205 2.751 5.577 1.00 0.31 N ATOM 1296 CA ILE A 89 -9.594 4.066 6.049 1.00 0.31 C ATOM 1297 C ILE A 89 -10.707 4.654 5.192 1.00 0.33 C ATOM 1298 O ILE A 89 -10.693 4.538 3.962 1.00 0.35 O ATOM 1299 CB ILE A 89 -8.397 5.037 6.070 1.00 0.27 C ATOM 1300 CG1 ILE A 89 -7.682 5.048 4.714 1.00 0.23 C ATOM 1301 CG2 ILE A 89 -7.436 4.658 7.188 1.00 0.28 C ATOM 1302 CD1 ILE A 89 -6.554 6.053 4.628 1.00 0.21 C ATOM 1303 H ILE A 89 -8.965 2.630 4.632 1.00 0.34 H ATOM 1304 HA ILE A 89 -9.957 3.959 7.060 1.00 0.33 H ATOM 1305 HB ILE A 89 -8.773 6.027 6.278 1.00 0.29 H ATOM 1306 HG12 ILE A 89 -7.265 4.069 4.526 1.00 0.23 H ATOM 1307 HG13 ILE A 89 -8.398 5.282 3.940 1.00 0.25 H ATOM 1308 HG21 ILE A 89 -6.605 5.346 7.197 1.00 1.00 H ATOM 1309 HG22 ILE A 89 -7.072 3.654 7.023 1.00 1.10 H ATOM 1310 HG23 ILE A 89 -7.951 4.702 8.136 1.00 0.97 H ATOM 1311 HD11 ILE A 89 -6.136 6.039 3.634 1.00 1.06 H ATOM 1312 HD12 ILE A 89 -5.788 5.796 5.344 1.00 1.01 H ATOM 1313 HD13 ILE A 89 -6.933 7.040 4.846 1.00 1.03 H ATOM 1314 N GLY A 90 -11.679 5.258 5.857 1.00 0.34 N ATOM 1315 CA GLY A 90 -12.769 5.914 5.162 1.00 0.37 C ATOM 1316 C GLY A 90 -12.602 7.420 5.123 1.00 0.51 C ATOM 1317 O GLY A 90 -11.477 7.923 5.086 1.00 0.79 O ATOM 1318 H GLY A 90 -11.660 5.253 6.838 1.00 0.34 H ATOM 1319 HA2 GLY A 90 -12.810 5.541 4.147 1.00 0.41 H ATOM 1320 HA3 GLY A 90 -13.698 5.678 5.660 1.00 0.51 H ATOM 1321 N GLY A 91 -13.718 8.137 5.139 1.00 0.60 N ATOM 1322 CA GLY A 91 -13.683 9.580 5.015 1.00 0.81 C ATOM 1323 C GLY A 91 -13.043 10.260 6.210 1.00 0.57 C ATOM 1324 O GLY A 91 -13.478 10.061 7.348 1.00 0.70 O ATOM 1325 H GLY A 91 -14.581 7.681 5.239 1.00 0.72 H ATOM 1326 HA2 GLY A 91 -13.131 9.838 4.123 1.00 1.07 H ATOM 1327 HA3 GLY A 91 -14.696 9.943 4.911 1.00 1.15 H ATOM 1328 N GLY A 92 -12.005 11.052 5.957 1.00 0.54 N ATOM 1329 CA GLY A 92 -11.365 11.805 7.022 1.00 0.56 C ATOM 1330 C GLY A 92 -10.488 10.937 7.892 1.00 0.52 C ATOM 1331 O GLY A 92 -10.179 11.291 9.028 1.00 0.80 O ATOM 1332 H GLY A 92 -11.666 11.124 5.039 1.00 0.73 H ATOM 1333 HA2 GLY A 92 -10.759 12.587 6.584 1.00 0.75 H ATOM 1334 HA3 GLY A 92 -12.130 12.258 7.637 1.00 0.61 H ATOM 1335 N GLU A 93 -10.084 9.798 7.358 1.00 0.34 N ATOM 1336 CA GLU A 93 -9.257 8.861 8.092 1.00 0.27 C ATOM 1337 C GLU A 93 -7.901 8.733 7.415 1.00 0.23 C ATOM 1338 O GLU A 93 -7.780 8.946 6.205 1.00 0.29 O ATOM 1339 CB GLU A 93 -9.940 7.494 8.159 1.00 0.30 C ATOM 1340 CG GLU A 93 -11.281 7.502 8.881 1.00 0.38 C ATOM 1341 CD GLU A 93 -11.146 7.726 10.371 1.00 1.32 C ATOM 1342 OE1 GLU A 93 -10.861 6.756 11.104 1.00 1.33 O ATOM 1343 OE2 GLU A 93 -11.306 8.880 10.817 1.00 2.34 O1- ATOM 1344 H GLU A 93 -10.339 9.584 6.435 1.00 0.47 H ATOM 1345 HA GLU A 93 -9.120 9.243 9.093 1.00 0.28 H ATOM 1346 HB2 GLU A 93 -10.104 7.142 7.151 1.00 0.35 H ATOM 1347 HB3 GLU A 93 -9.285 6.804 8.672 1.00 0.34 H ATOM 1348 HG2 GLU A 93 -11.893 8.292 8.472 1.00 0.80 H ATOM 1349 HG3 GLU A 93 -11.769 6.551 8.718 1.00 0.91 H ATOM 1350 N GLU A 94 -6.885 8.393 8.191 1.00 0.21 N ATOM 1351 CA GLU A 94 -5.551 8.214 7.649 1.00 0.21 C ATOM 1352 C GLU A 94 -4.870 7.023 8.308 1.00 0.22 C ATOM 1353 O GLU A 94 -5.119 6.716 9.476 1.00 0.28 O ATOM 1354 CB GLU A 94 -4.698 9.484 7.823 1.00 0.25 C ATOM 1355 CG GLU A 94 -4.324 9.822 9.262 1.00 0.83 C ATOM 1356 CD GLU A 94 -5.496 10.307 10.088 1.00 1.27 C ATOM 1357 OE1 GLU A 94 -5.995 11.422 9.823 1.00 1.67 O1- ATOM 1358 OE2 GLU A 94 -5.939 9.565 10.990 1.00 1.86 O ATOM 1359 H GLU A 94 -7.038 8.253 9.151 1.00 0.24 H ATOM 1360 HA GLU A 94 -5.655 8.005 6.593 1.00 0.23 H ATOM 1361 HB2 GLU A 94 -3.781 9.362 7.265 1.00 0.79 H ATOM 1362 HB3 GLU A 94 -5.245 10.322 7.415 1.00 0.79 H ATOM 1363 HG2 GLU A 94 -3.918 8.938 9.730 1.00 1.45 H ATOM 1364 HG3 GLU A 94 -3.569 10.597 9.247 1.00 1.66 H ATOM 1365 N SER A 95 -4.028 6.346 7.553 1.00 0.22 N ATOM 1366 CA SER A 95 -3.301 5.201 8.061 1.00 0.27 C ATOM 1367 C SER A 95 -1.838 5.299 7.660 1.00 0.23 C ATOM 1368 O SER A 95 -1.510 5.896 6.636 1.00 0.29 O ATOM 1369 CB SER A 95 -3.932 3.906 7.540 1.00 0.37 C ATOM 1370 OG SER A 95 -4.240 3.997 6.159 1.00 1.35 O ATOM 1371 H SER A 95 -3.884 6.625 6.621 1.00 0.21 H ATOM 1372 HA SER A 95 -3.368 5.219 9.139 1.00 0.31 H ATOM 1373 HB2 SER A 95 -3.243 3.091 7.683 1.00 0.95 H ATOM 1374 HB3 SER A 95 -4.844 3.707 8.087 1.00 0.81 H ATOM 1375 HG SER A 95 -5.104 3.599 6.002 1.00 1.86 H ATOM 1376 N SER A 96 -0.957 4.738 8.468 1.00 0.28 N ATOM 1377 CA SER A 96 0.461 4.810 8.189 1.00 0.25 C ATOM 1378 C SER A 96 1.145 3.502 8.546 1.00 0.27 C ATOM 1379 O SER A 96 0.746 2.817 9.490 1.00 0.35 O ATOM 1380 CB SER A 96 1.090 5.975 8.962 1.00 0.29 C ATOM 1381 OG SER A 96 0.796 5.890 10.348 1.00 1.00 O ATOM 1382 H SER A 96 -1.263 4.255 9.264 1.00 0.41 H ATOM 1383 HA SER A 96 0.580 4.987 7.129 1.00 0.22 H ATOM 1384 HB2 SER A 96 2.163 5.952 8.835 1.00 0.79 H ATOM 1385 HB3 SER A 96 0.701 6.910 8.582 1.00 0.85 H ATOM 1386 HG SER A 96 -0.155 5.984 10.480 1.00 1.19 H ATOM 1387 N LEU A 97 2.164 3.155 7.785 1.00 0.22 N ATOM 1388 CA LEU A 97 2.928 1.949 8.036 1.00 0.25 C ATOM 1389 C LEU A 97 4.409 2.277 8.066 1.00 0.24 C ATOM 1390 O LEU A 97 4.847 3.249 7.452 1.00 0.21 O ATOM 1391 CB LEU A 97 2.623 0.879 6.969 1.00 0.26 C ATOM 1392 CG LEU A 97 2.897 1.280 5.505 1.00 0.23 C ATOM 1393 CD1 LEU A 97 4.375 1.140 5.158 1.00 0.23 C ATOM 1394 CD2 LEU A 97 2.062 0.441 4.553 1.00 0.25 C ATOM 1395 H LEU A 97 2.418 3.737 7.033 1.00 0.20 H ATOM 1396 HA LEU A 97 2.637 1.571 9.005 1.00 0.29 H ATOM 1397 HB2 LEU A 97 3.218 0.005 7.195 1.00 0.28 H ATOM 1398 HB3 LEU A 97 1.577 0.612 7.055 1.00 0.28 H ATOM 1399 HG LEU A 97 2.621 2.315 5.368 1.00 0.22 H ATOM 1400 HD11 LEU A 97 4.673 0.109 5.263 1.00 1.00 H ATOM 1401 HD12 LEU A 97 4.962 1.751 5.826 1.00 0.99 H ATOM 1402 HD13 LEU A 97 4.537 1.460 4.139 1.00 0.91 H ATOM 1403 HD21 LEU A 97 1.021 0.509 4.828 1.00 0.99 H ATOM 1404 HD22 LEU A 97 2.382 -0.588 4.606 1.00 1.13 H ATOM 1405 HD23 LEU A 97 2.193 0.805 3.545 1.00 0.91 H ATOM 1406 N THR A 98 5.169 1.482 8.787 1.00 0.31 N ATOM 1407 CA THR A 98 6.610 1.615 8.800 1.00 0.31 C ATOM 1408 C THR A 98 7.241 0.274 8.463 1.00 0.32 C ATOM 1409 O THR A 98 7.047 -0.713 9.176 1.00 0.41 O ATOM 1410 CB THR A 98 7.120 2.114 10.164 1.00 0.37 C ATOM 1411 OG1 THR A 98 6.472 3.350 10.503 1.00 1.14 O ATOM 1412 CG2 THR A 98 8.626 2.323 10.139 1.00 0.79 C ATOM 1413 H THR A 98 4.751 0.779 9.329 1.00 0.37 H ATOM 1414 HA THR A 98 6.885 2.335 8.043 1.00 0.27 H ATOM 1415 HB THR A 98 6.886 1.374 10.913 1.00 0.78 H ATOM 1416 HG1 THR A 98 6.939 4.083 10.071 1.00 1.78 H ATOM 1417 HG21 THR A 98 8.959 2.667 11.107 1.00 1.25 H ATOM 1418 HG22 THR A 98 8.874 3.061 9.389 1.00 1.51 H ATOM 1419 HG23 THR A 98 9.114 1.390 9.901 1.00 1.23 H ATOM 1420 N LEU A 99 7.967 0.236 7.363 1.00 0.30 N ATOM 1421 CA LEU A 99 8.520 -1.006 6.864 1.00 0.34 C ATOM 1422 C LEU A 99 10.039 -0.986 6.904 1.00 0.32 C ATOM 1423 O LEU A 99 10.662 0.079 6.986 1.00 0.29 O ATOM 1424 CB LEU A 99 8.007 -1.282 5.438 1.00 0.37 C ATOM 1425 CG LEU A 99 8.221 -0.164 4.405 1.00 0.37 C ATOM 1426 CD1 LEU A 99 9.642 -0.173 3.861 1.00 0.42 C ATOM 1427 CD2 LEU A 99 7.224 -0.301 3.264 1.00 0.49 C ATOM 1428 H LEU A 99 8.153 1.074 6.883 1.00 0.30 H ATOM 1429 HA LEU A 99 8.175 -1.796 7.514 1.00 0.41 H ATOM 1430 HB2 LEU A 99 8.501 -2.169 5.071 1.00 0.42 H ATOM 1431 HB3 LEU A 99 6.947 -1.482 5.499 1.00 0.44 H ATOM 1432 HG LEU A 99 8.051 0.792 4.881 1.00 0.43 H ATOM 1433 HD11 LEU A 99 9.842 -1.125 3.391 1.00 1.16 H ATOM 1434 HD12 LEU A 99 10.339 -0.020 4.672 1.00 1.02 H ATOM 1435 HD13 LEU A 99 9.755 0.617 3.134 1.00 1.08 H ATOM 1436 HD21 LEU A 99 7.319 -1.282 2.819 1.00 1.13 H ATOM 1437 HD22 LEU A 99 7.428 0.451 2.516 1.00 1.11 H ATOM 1438 HD23 LEU A 99 6.221 -0.172 3.641 1.00 1.05 H ATOM 1439 N ASP A 100 10.620 -2.172 6.862 1.00 0.38 N ATOM 1440 CA ASP A 100 12.063 -2.332 6.846 1.00 0.40 C ATOM 1441 C ASP A 100 12.576 -2.393 5.409 1.00 0.38 C ATOM 1442 O ASP A 100 12.237 -3.313 4.662 1.00 0.42 O ATOM 1443 CB ASP A 100 12.449 -3.606 7.601 1.00 0.50 C ATOM 1444 CG ASP A 100 13.908 -3.965 7.427 1.00 1.26 C ATOM 1445 OD1 ASP A 100 14.773 -3.227 7.942 1.00 1.72 O ATOM 1446 OD2 ASP A 100 14.196 -4.990 6.784 1.00 2.08 O1- ATOM 1447 H ASP A 100 10.056 -2.975 6.846 1.00 0.44 H ATOM 1448 HA ASP A 100 12.499 -1.479 7.343 1.00 0.41 H ATOM 1449 HB2 ASP A 100 12.255 -3.468 8.654 1.00 0.99 H ATOM 1450 HB3 ASP A 100 11.851 -4.426 7.236 1.00 1.13 H ATOM 1451 N PRO A 101 13.389 -1.398 5.002 1.00 0.38 N ATOM 1452 CA PRO A 101 13.936 -1.318 3.639 1.00 0.41 C ATOM 1453 C PRO A 101 14.728 -2.557 3.229 1.00 0.39 C ATOM 1454 O PRO A 101 14.839 -2.865 2.042 1.00 0.43 O ATOM 1455 CB PRO A 101 14.863 -0.098 3.683 1.00 0.46 C ATOM 1456 CG PRO A 101 14.386 0.716 4.836 1.00 0.53 C ATOM 1457 CD PRO A 101 13.814 -0.256 5.833 1.00 0.43 C ATOM 1458 HA PRO A 101 13.155 -1.148 2.914 1.00 0.45 H ATOM 1459 HB2 PRO A 101 15.882 -0.426 3.823 1.00 0.60 H ATOM 1460 HB3 PRO A 101 14.783 0.451 2.756 1.00 0.60 H ATOM 1461 HG2 PRO A 101 15.218 1.254 5.273 1.00 0.87 H ATOM 1462 HG3 PRO A 101 13.624 1.407 4.506 1.00 0.67 H ATOM 1463 HD2 PRO A 101 14.568 -0.556 6.546 1.00 0.54 H ATOM 1464 HD3 PRO A 101 12.967 0.184 6.341 1.00 0.45 H ATOM 1465 N ALA A 102 15.262 -3.276 4.209 1.00 0.42 N ATOM 1466 CA ALA A 102 16.072 -4.454 3.933 1.00 0.48 C ATOM 1467 C ALA A 102 15.206 -5.606 3.434 1.00 0.46 C ATOM 1468 O ALA A 102 15.685 -6.486 2.719 1.00 0.49 O ATOM 1469 CB ALA A 102 16.856 -4.864 5.168 1.00 0.62 C ATOM 1470 H ALA A 102 15.099 -3.014 5.138 1.00 0.44 H ATOM 1471 HA ALA A 102 16.778 -4.191 3.159 1.00 0.52 H ATOM 1472 HB1 ALA A 102 17.489 -5.705 4.929 1.00 1.15 H ATOM 1473 HB2 ALA A 102 16.171 -5.140 5.955 1.00 1.23 H ATOM 1474 HB3 ALA A 102 17.467 -4.036 5.496 1.00 1.20 H ATOM 1475 N LYS A 103 13.927 -5.588 3.793 1.00 0.47 N ATOM 1476 CA LYS A 103 12.988 -6.597 3.315 1.00 0.52 C ATOM 1477 C LYS A 103 12.711 -6.395 1.832 1.00 0.52 C ATOM 1478 O LYS A 103 12.362 -7.332 1.118 1.00 0.69 O ATOM 1479 CB LYS A 103 11.668 -6.540 4.090 1.00 0.60 C ATOM 1480 CG LYS A 103 11.782 -6.929 5.554 1.00 1.28 C ATOM 1481 CD LYS A 103 10.418 -6.926 6.227 1.00 1.53 C ATOM 1482 CE LYS A 103 10.517 -7.279 7.702 1.00 2.13 C ATOM 1483 NZ LYS A 103 9.184 -7.307 8.357 1.00 2.92 N1+ ATOM 1484 H LYS A 103 13.607 -4.880 4.396 1.00 0.50 H ATOM 1485 HA LYS A 103 13.441 -7.567 3.457 1.00 0.58 H ATOM 1486 HB2 LYS A 103 11.282 -5.532 4.040 1.00 0.99 H ATOM 1487 HB3 LYS A 103 10.961 -7.207 3.617 1.00 0.88 H ATOM 1488 HG2 LYS A 103 12.207 -7.920 5.623 1.00 1.96 H ATOM 1489 HG3 LYS A 103 12.425 -6.222 6.057 1.00 1.90 H ATOM 1490 HD2 LYS A 103 9.984 -5.942 6.132 1.00 1.89 H ATOM 1491 HD3 LYS A 103 9.785 -7.650 5.735 1.00 2.01 H ATOM 1492 HE2 LYS A 103 10.974 -8.252 7.797 1.00 2.44 H ATOM 1493 HE3 LYS A 103 11.135 -6.542 8.193 1.00 2.49 H ATOM 1494 HZ1 LYS A 103 8.712 -6.389 8.247 1.00 3.51 H ATOM 1495 HZ2 LYS A 103 9.286 -7.512 9.371 1.00 3.15 H ATOM 1496 HZ3 LYS A 103 8.588 -8.044 7.926 1.00 3.29 H ATOM 1497 N LEU A 104 12.889 -5.166 1.367 1.00 0.43 N ATOM 1498 CA LEU A 104 12.611 -4.832 -0.021 1.00 0.44 C ATOM 1499 C LEU A 104 13.826 -5.109 -0.893 1.00 0.47 C ATOM 1500 O LEU A 104 13.795 -4.913 -2.108 1.00 0.51 O ATOM 1501 CB LEU A 104 12.199 -3.365 -0.148 1.00 0.43 C ATOM 1502 CG LEU A 104 11.004 -2.942 0.715 1.00 0.70 C ATOM 1503 CD1 LEU A 104 10.615 -1.507 0.413 1.00 1.22 C ATOM 1504 CD2 LEU A 104 9.819 -3.871 0.498 1.00 1.30 C ATOM 1505 H LEU A 104 13.223 -4.469 1.972 1.00 0.44 H ATOM 1506 HA LEU A 104 11.796 -5.457 -0.353 1.00 0.47 H ATOM 1507 HB2 LEU A 104 13.049 -2.754 0.127 1.00 0.46 H ATOM 1508 HB3 LEU A 104 11.957 -3.168 -1.183 1.00 0.51 H ATOM 1509 HG LEU A 104 11.287 -2.998 1.758 1.00 1.66 H ATOM 1510 HD11 LEU A 104 10.307 -1.426 -0.619 1.00 1.74 H ATOM 1511 HD12 LEU A 104 11.462 -0.862 0.589 1.00 1.92 H ATOM 1512 HD13 LEU A 104 9.799 -1.214 1.057 1.00 1.59 H ATOM 1513 HD21 LEU A 104 9.552 -3.880 -0.549 1.00 1.92 H ATOM 1514 HD22 LEU A 104 8.978 -3.523 1.080 1.00 1.86 H ATOM 1515 HD23 LEU A 104 10.082 -4.871 0.811 1.00 1.80 H ATOM 1516 N ALA A 105 14.889 -5.587 -0.266 1.00 0.55 N ATOM 1517 CA ALA A 105 16.119 -5.905 -0.975 1.00 0.63 C ATOM 1518 C ALA A 105 16.068 -7.323 -1.533 1.00 0.72 C ATOM 1519 O ALA A 105 17.051 -8.064 -1.478 1.00 1.08 O ATOM 1520 CB ALA A 105 17.321 -5.729 -0.057 1.00 0.73 C ATOM 1521 H ALA A 105 14.842 -5.737 0.700 1.00 0.61 H ATOM 1522 HA ALA A 105 16.216 -5.212 -1.797 1.00 0.64 H ATOM 1523 HB1 ALA A 105 18.229 -5.910 -0.612 1.00 1.11 H ATOM 1524 HB2 ALA A 105 17.253 -6.429 0.762 1.00 1.40 H ATOM 1525 HB3 ALA A 105 17.331 -4.721 0.331 1.00 1.23 H ATOM 1526 N ASP A 106 14.912 -7.695 -2.059 1.00 0.69 N ATOM 1527 CA ASP A 106 14.731 -9.012 -2.652 1.00 0.81 C ATOM 1528 C ASP A 106 13.950 -8.906 -3.962 1.00 0.82 C ATOM 1529 O ASP A 106 13.292 -9.852 -4.393 1.00 1.27 O ATOM 1530 CB ASP A 106 14.016 -9.948 -1.665 1.00 1.07 C ATOM 1531 CG ASP A 106 14.001 -11.394 -2.130 1.00 1.45 C ATOM 1532 OD1 ASP A 106 15.079 -12.023 -2.173 1.00 1.96 O ATOM 1533 OD2 ASP A 106 12.910 -11.915 -2.448 1.00 2.04 O1- ATOM 1534 H ASP A 106 14.159 -7.068 -2.045 1.00 0.83 H ATOM 1535 HA ASP A 106 15.712 -9.412 -2.866 1.00 0.87 H ATOM 1536 HB2 ASP A 106 14.519 -9.904 -0.710 1.00 1.46 H ATOM 1537 HB3 ASP A 106 12.996 -9.617 -1.544 1.00 1.43 H ATOM 1538 N GLY A 107 14.013 -7.744 -4.599 1.00 0.61 N ATOM 1539 CA GLY A 107 13.367 -7.590 -5.885 1.00 0.74 C ATOM 1540 C GLY A 107 12.641 -6.272 -6.044 1.00 0.60 C ATOM 1541 O GLY A 107 12.952 -5.289 -5.364 1.00 0.52 O ATOM 1542 H GLY A 107 14.500 -6.994 -4.199 1.00 0.67 H ATOM 1543 HA2 GLY A 107 14.113 -7.671 -6.661 1.00 0.92 H ATOM 1544 HA3 GLY A 107 12.653 -8.392 -6.004 1.00 0.94 H ATOM 1545 N ASP A 108 11.676 -6.256 -6.955 1.00 0.64 N ATOM 1546 CA ASP A 108 10.850 -5.084 -7.193 1.00 0.59 C ATOM 1547 C ASP A 108 9.472 -5.291 -6.597 1.00 0.43 C ATOM 1548 O ASP A 108 8.839 -6.328 -6.804 1.00 0.38 O ATOM 1549 CB ASP A 108 10.732 -4.778 -8.688 1.00 0.73 C ATOM 1550 CG ASP A 108 11.949 -4.060 -9.236 1.00 1.22 C ATOM 1551 OD1 ASP A 108 12.189 -2.899 -8.844 1.00 1.56 O ATOM 1552 OD2 ASP A 108 12.662 -4.643 -10.082 1.00 2.02 O1- ATOM 1553 H ASP A 108 11.502 -7.067 -7.475 1.00 0.73 H ATOM 1554 HA ASP A 108 11.319 -4.247 -6.698 1.00 0.63 H ATOM 1555 HB2 ASP A 108 10.613 -5.705 -9.228 1.00 1.07 H ATOM 1556 HB3 ASP A 108 9.865 -4.157 -8.853 1.00 1.40 H ATOM 1557 N TYR A 109 9.029 -4.313 -5.833 1.00 0.39 N ATOM 1558 CA TYR A 109 7.765 -4.408 -5.131 1.00 0.32 C ATOM 1559 C TYR A 109 6.706 -3.513 -5.759 1.00 0.30 C ATOM 1560 O TYR A 109 7.019 -2.514 -6.410 1.00 0.35 O ATOM 1561 CB TYR A 109 7.968 -4.062 -3.654 1.00 0.35 C ATOM 1562 CG TYR A 109 8.739 -5.123 -2.903 1.00 0.31 C ATOM 1563 CD1 TYR A 109 10.099 -5.281 -3.109 1.00 0.37 C ATOM 1564 CD2 TYR A 109 8.114 -5.945 -1.975 1.00 0.39 C ATOM 1565 CE1 TYR A 109 10.817 -6.228 -2.412 1.00 0.39 C ATOM 1566 CE2 TYR A 109 8.825 -6.896 -1.275 1.00 0.39 C ATOM 1567 CZ TYR A 109 10.130 -7.109 -1.554 1.00 0.34 C ATOM 1568 OH TYR A 109 10.902 -7.972 -0.798 1.00 0.40 O ATOM 1569 H TYR A 109 9.561 -3.495 -5.747 1.00 0.44 H ATOM 1570 HA TYR A 109 7.431 -5.433 -5.202 1.00 0.30 H ATOM 1571 HB2 TYR A 109 8.517 -3.137 -3.577 1.00 0.42 H ATOM 1572 HB3 TYR A 109 7.006 -3.948 -3.177 1.00 0.40 H ATOM 1573 HD1 TYR A 109 10.599 -4.650 -3.828 1.00 0.49 H ATOM 1574 HD2 TYR A 109 7.052 -5.835 -1.805 1.00 0.53 H ATOM 1575 HE1 TYR A 109 11.876 -6.333 -2.585 1.00 0.53 H ATOM 1576 HE2 TYR A 109 8.319 -7.525 -0.556 1.00 0.52 H ATOM 1577 HH TYR A 109 10.566 -8.859 -0.999 1.00 0.87 H ATOM 1578 N LYS A 110 5.455 -3.887 -5.567 1.00 0.28 N ATOM 1579 CA LYS A 110 4.331 -3.101 -6.045 1.00 0.29 C ATOM 1580 C LYS A 110 3.464 -2.676 -4.870 1.00 0.22 C ATOM 1581 O LYS A 110 3.423 -3.361 -3.848 1.00 0.25 O ATOM 1582 CB LYS A 110 3.485 -3.911 -7.036 1.00 0.39 C ATOM 1583 CG LYS A 110 4.160 -4.175 -8.374 1.00 0.62 C ATOM 1584 CD LYS A 110 3.368 -5.185 -9.194 1.00 0.67 C ATOM 1585 CE LYS A 110 3.942 -5.366 -10.593 1.00 1.21 C ATOM 1586 NZ LYS A 110 3.680 -4.190 -11.462 1.00 1.53 N1+ ATOM 1587 H LYS A 110 5.276 -4.722 -5.074 1.00 0.28 H ATOM 1588 HA LYS A 110 4.720 -2.223 -6.537 1.00 0.32 H ATOM 1589 HB2 LYS A 110 3.248 -4.866 -6.588 1.00 0.79 H ATOM 1590 HB3 LYS A 110 2.562 -3.376 -7.224 1.00 0.77 H ATOM 1591 HG2 LYS A 110 4.224 -3.247 -8.925 1.00 1.02 H ATOM 1592 HG3 LYS A 110 5.156 -4.562 -8.198 1.00 1.02 H ATOM 1593 HD2 LYS A 110 3.384 -6.136 -8.685 1.00 1.23 H ATOM 1594 HD3 LYS A 110 2.349 -4.839 -9.277 1.00 1.09 H ATOM 1595 HE2 LYS A 110 5.008 -5.510 -10.514 1.00 1.82 H ATOM 1596 HE3 LYS A 110 3.494 -6.241 -11.041 1.00 1.89 H ATOM 1597 HZ1 LYS A 110 4.094 -4.342 -12.403 1.00 2.11 H ATOM 1598 HZ2 LYS A 110 4.100 -3.334 -11.047 1.00 1.90 H ATOM 1599 HZ3 LYS A 110 2.654 -4.043 -11.567 1.00 1.84 H ATOM 1600 N PHE A 111 2.787 -1.547 -5.011 1.00 0.20 N ATOM 1601 CA PHE A 111 1.826 -1.117 -4.013 1.00 0.19 C ATOM 1602 C PHE A 111 0.480 -0.916 -4.680 1.00 0.17 C ATOM 1603 O PHE A 111 0.409 -0.465 -5.823 1.00 0.21 O ATOM 1604 CB PHE A 111 2.276 0.162 -3.282 1.00 0.22 C ATOM 1605 CG PHE A 111 2.191 1.432 -4.090 1.00 0.20 C ATOM 1606 CD1 PHE A 111 1.028 2.190 -4.094 1.00 0.22 C ATOM 1607 CD2 PHE A 111 3.275 1.876 -4.824 1.00 0.19 C ATOM 1608 CE1 PHE A 111 0.950 3.363 -4.820 1.00 0.23 C ATOM 1609 CE2 PHE A 111 3.202 3.048 -5.553 1.00 0.20 C ATOM 1610 CZ PHE A 111 2.038 3.792 -5.550 1.00 0.21 C ATOM 1611 H PHE A 111 2.916 -1.004 -5.821 1.00 0.22 H ATOM 1612 HA PHE A 111 1.730 -1.918 -3.291 1.00 0.20 H ATOM 1613 HB2 PHE A 111 1.658 0.295 -2.410 1.00 0.26 H ATOM 1614 HB3 PHE A 111 3.301 0.041 -2.966 1.00 0.25 H ATOM 1615 HD1 PHE A 111 0.174 1.854 -3.523 1.00 0.25 H ATOM 1616 HD2 PHE A 111 4.186 1.296 -4.829 1.00 0.19 H ATOM 1617 HE1 PHE A 111 0.038 3.943 -4.816 1.00 0.27 H ATOM 1618 HE2 PHE A 111 4.054 3.381 -6.127 1.00 0.21 H ATOM 1619 HZ PHE A 111 1.980 4.709 -6.117 1.00 0.24 H ATOM 1620 N ALA A 112 -0.579 -1.270 -3.981 1.00 0.14 N ATOM 1621 CA ALA A 112 -1.912 -1.192 -4.549 1.00 0.15 C ATOM 1622 C ALA A 112 -2.973 -1.213 -3.464 1.00 0.15 C ATOM 1623 O ALA A 112 -2.679 -1.471 -2.294 1.00 0.17 O ATOM 1624 CB ALA A 112 -2.132 -2.350 -5.509 1.00 0.19 C ATOM 1625 H ALA A 112 -0.463 -1.597 -3.061 1.00 0.16 H ATOM 1626 HA ALA A 112 -1.988 -0.269 -5.106 1.00 0.16 H ATOM 1627 HB1 ALA A 112 -1.341 -2.364 -6.244 1.00 0.97 H ATOM 1628 HB2 ALA A 112 -3.084 -2.229 -6.005 1.00 0.94 H ATOM 1629 HB3 ALA A 112 -2.128 -3.278 -4.958 1.00 0.90 H ATOM 1630 N CYS A 113 -4.199 -0.934 -3.871 1.00 0.15 N ATOM 1631 CA CYS A 113 -5.351 -1.004 -2.988 1.00 0.14 C ATOM 1632 C CYS A 113 -6.059 -2.334 -3.226 1.00 0.14 C ATOM 1633 O CYS A 113 -6.386 -2.666 -4.366 1.00 0.16 O ATOM 1634 CB CYS A 113 -6.295 0.174 -3.267 1.00 0.14 C ATOM 1635 SG CYS A 113 -7.630 0.384 -2.071 1.00 0.13 S ATOM 1636 H CYS A 113 -4.337 -0.684 -4.809 1.00 0.16 H ATOM 1637 HA CYS A 113 -5.002 -0.961 -1.965 1.00 0.14 H ATOM 1638 HB2 CYS A 113 -5.723 1.089 -3.270 1.00 0.18 H ATOM 1639 HB3 CYS A 113 -6.747 0.037 -4.239 1.00 0.15 H ATOM 1640 N THR A 114 -6.277 -3.102 -2.169 1.00 0.15 N ATOM 1641 CA THR A 114 -6.810 -4.449 -2.320 1.00 0.17 C ATOM 1642 C THR A 114 -8.307 -4.501 -2.024 1.00 0.16 C ATOM 1643 O THR A 114 -8.886 -5.580 -1.881 1.00 0.21 O ATOM 1644 CB THR A 114 -6.056 -5.459 -1.427 1.00 0.21 C ATOM 1645 OG1 THR A 114 -6.108 -5.054 -0.051 1.00 0.22 O ATOM 1646 CG2 THR A 114 -4.602 -5.584 -1.863 1.00 0.24 C ATOM 1647 H THR A 114 -6.092 -2.751 -1.268 1.00 0.17 H ATOM 1648 HA THR A 114 -6.659 -4.742 -3.351 1.00 0.21 H ATOM 1649 HB THR A 114 -6.528 -6.427 -1.529 1.00 0.24 H ATOM 1650 HG1 THR A 114 -6.322 -5.823 0.499 1.00 0.25 H ATOM 1651 HG21 THR A 114 -4.081 -6.259 -1.200 1.00 0.97 H ATOM 1652 HG22 THR A 114 -4.132 -4.612 -1.827 1.00 0.95 H ATOM 1653 HG23 THR A 114 -4.559 -5.967 -2.872 1.00 1.10 H ATOM 1654 N PHE A 115 -8.925 -3.329 -1.937 1.00 0.14 N ATOM 1655 CA PHE A 115 -10.370 -3.232 -1.773 1.00 0.17 C ATOM 1656 C PHE A 115 -11.055 -3.827 -3.010 1.00 0.22 C ATOM 1657 O PHE A 115 -10.602 -3.608 -4.131 1.00 0.23 O ATOM 1658 CB PHE A 115 -10.769 -1.760 -1.575 1.00 0.15 C ATOM 1659 CG PHE A 115 -12.201 -1.553 -1.160 1.00 0.17 C ATOM 1660 CD1 PHE A 115 -12.547 -1.535 0.181 1.00 0.17 C ATOM 1661 CD2 PHE A 115 -13.198 -1.371 -2.107 1.00 0.23 C ATOM 1662 CE1 PHE A 115 -13.858 -1.343 0.570 1.00 0.20 C ATOM 1663 CE2 PHE A 115 -14.511 -1.179 -1.721 1.00 0.26 C ATOM 1664 CZ PHE A 115 -14.842 -1.165 -0.381 1.00 0.24 C ATOM 1665 H PHE A 115 -8.392 -2.506 -1.984 1.00 0.14 H ATOM 1666 HA PHE A 115 -10.648 -3.803 -0.900 1.00 0.19 H ATOM 1667 HB2 PHE A 115 -10.141 -1.327 -0.809 1.00 0.14 H ATOM 1668 HB3 PHE A 115 -10.610 -1.225 -2.500 1.00 0.14 H ATOM 1669 HD1 PHE A 115 -11.779 -1.674 0.927 1.00 0.17 H ATOM 1670 HD2 PHE A 115 -12.941 -1.381 -3.156 1.00 0.26 H ATOM 1671 HE1 PHE A 115 -14.113 -1.331 1.620 1.00 0.22 H ATOM 1672 HE2 PHE A 115 -15.279 -1.040 -2.468 1.00 0.32 H ATOM 1673 HZ PHE A 115 -15.867 -1.015 -0.078 1.00 0.27 H ATOM 1674 N PRO A 116 -12.137 -4.611 -2.822 1.00 0.30 N ATOM 1675 CA PRO A 116 -12.837 -5.284 -3.929 1.00 0.37 C ATOM 1676 C PRO A 116 -13.260 -4.324 -5.039 1.00 0.31 C ATOM 1677 O PRO A 116 -14.105 -3.448 -4.836 1.00 0.30 O ATOM 1678 CB PRO A 116 -14.071 -5.893 -3.263 1.00 0.46 C ATOM 1679 CG PRO A 116 -13.697 -6.045 -1.833 1.00 0.49 C ATOM 1680 CD PRO A 116 -12.757 -4.912 -1.521 1.00 0.37 C ATOM 1681 HA PRO A 116 -12.231 -6.072 -4.352 1.00 0.43 H ATOM 1682 HB2 PRO A 116 -14.912 -5.226 -3.384 1.00 0.46 H ATOM 1683 HB3 PRO A 116 -14.294 -6.848 -3.715 1.00 0.54 H ATOM 1684 HG2 PRO A 116 -14.581 -5.981 -1.214 1.00 0.55 H ATOM 1685 HG3 PRO A 116 -13.202 -6.995 -1.683 1.00 0.54 H ATOM 1686 HD2 PRO A 116 -13.304 -4.057 -1.149 1.00 0.37 H ATOM 1687 HD3 PRO A 116 -12.013 -5.228 -0.803 1.00 0.37 H ATOM 1688 N GLY A 117 -12.662 -4.505 -6.209 1.00 0.34 N ATOM 1689 CA GLY A 117 -12.958 -3.656 -7.346 1.00 0.33 C ATOM 1690 C GLY A 117 -11.930 -2.555 -7.512 1.00 0.33 C ATOM 1691 O GLY A 117 -11.848 -1.916 -8.562 1.00 0.50 O ATOM 1692 H GLY A 117 -12.000 -5.225 -6.299 1.00 0.39 H ATOM 1693 HA2 GLY A 117 -12.972 -4.262 -8.243 1.00 0.39 H ATOM 1694 HA3 GLY A 117 -13.933 -3.210 -7.208 1.00 0.32 H ATOM 1695 N HIS A 118 -11.134 -2.348 -6.475 1.00 0.24 N ATOM 1696 CA HIS A 118 -10.136 -1.287 -6.467 1.00 0.23 C ATOM 1697 C HIS A 118 -8.786 -1.791 -6.962 1.00 0.29 C ATOM 1698 O HIS A 118 -7.997 -1.026 -7.528 1.00 0.38 O ATOM 1699 CB HIS A 118 -9.986 -0.706 -5.057 1.00 0.20 C ATOM 1700 CG HIS A 118 -11.089 0.233 -4.667 1.00 0.16 C ATOM 1701 ND1 HIS A 118 -10.873 1.260 -3.779 1.00 0.18 N ATOM 1702 CD2 HIS A 118 -12.385 0.259 -5.064 1.00 0.19 C ATOM 1703 CE1 HIS A 118 -12.032 1.881 -3.653 1.00 0.20 C ATOM 1704 NE2 HIS A 118 -12.979 1.308 -4.414 1.00 0.18 N ATOM 1705 H HIS A 118 -11.218 -2.927 -5.682 1.00 0.30 H ATOM 1706 HA HIS A 118 -10.478 -0.507 -7.130 1.00 0.25 H ATOM 1707 HB2 HIS A 118 -9.970 -1.513 -4.342 1.00 0.23 H ATOM 1708 HB3 HIS A 118 -9.054 -0.165 -4.998 1.00 0.21 H ATOM 1709 HD2 HIS A 118 -12.858 -0.408 -5.767 1.00 0.25 H ATOM 1710 HE1 HIS A 118 -12.197 2.738 -3.016 1.00 0.27 H ATOM 1711 HE2 HIS A 118 -13.945 1.472 -4.351 1.00 0.30 H ATOM 1712 N GLY A 119 -8.540 -3.085 -6.776 1.00 0.33 N ATOM 1713 CA GLY A 119 -7.260 -3.673 -7.137 1.00 0.42 C ATOM 1714 C GLY A 119 -6.954 -3.592 -8.620 1.00 0.49 C ATOM 1715 O GLY A 119 -5.811 -3.778 -9.032 1.00 0.61 O ATOM 1716 H GLY A 119 -9.235 -3.650 -6.374 1.00 0.39 H ATOM 1717 HA2 GLY A 119 -6.479 -3.155 -6.597 1.00 0.45 H ATOM 1718 HA3 GLY A 119 -7.260 -4.713 -6.837 1.00 0.48 H ATOM 1719 N ALA A 120 -7.966 -3.315 -9.428 1.00 0.53 N ATOM 1720 CA ALA A 120 -7.779 -3.216 -10.866 1.00 0.67 C ATOM 1721 C ALA A 120 -7.354 -1.810 -11.277 1.00 0.64 C ATOM 1722 O ALA A 120 -6.779 -1.614 -12.346 1.00 0.75 O ATOM 1723 CB ALA A 120 -9.055 -3.611 -11.590 1.00 0.83 C ATOM 1724 H ALA A 120 -8.860 -3.182 -9.049 1.00 0.54 H ATOM 1725 HA ALA A 120 -7.003 -3.911 -11.148 1.00 0.76 H ATOM 1726 HB1 ALA A 120 -9.356 -4.600 -11.279 1.00 1.58 H ATOM 1727 HB2 ALA A 120 -8.881 -3.606 -12.655 1.00 1.06 H ATOM 1728 HB3 ALA A 120 -9.837 -2.905 -11.350 1.00 1.27 H ATOM 1729 N LEU A 121 -7.619 -0.836 -10.417 1.00 0.56 N ATOM 1730 CA LEU A 121 -7.402 0.562 -10.770 1.00 0.64 C ATOM 1731 C LEU A 121 -6.230 1.169 -10.003 1.00 0.51 C ATOM 1732 O LEU A 121 -5.322 1.746 -10.601 1.00 0.69 O ATOM 1733 CB LEU A 121 -8.671 1.373 -10.501 1.00 0.82 C ATOM 1734 CG LEU A 121 -9.916 0.909 -11.260 1.00 1.38 C ATOM 1735 CD1 LEU A 121 -11.122 1.739 -10.852 1.00 2.13 C ATOM 1736 CD2 LEU A 121 -9.694 0.998 -12.762 1.00 1.76 C ATOM 1737 H LEU A 121 -7.957 -1.062 -9.524 1.00 0.53 H ATOM 1738 HA LEU A 121 -7.180 0.602 -11.824 1.00 0.76 H ATOM 1739 HB2 LEU A 121 -8.885 1.326 -9.442 1.00 1.30 H ATOM 1740 HB3 LEU A 121 -8.478 2.401 -10.768 1.00 1.22 H ATOM 1741 HG LEU A 121 -10.120 -0.123 -11.012 1.00 2.05 H ATOM 1742 HD11 LEU A 121 -11.307 1.612 -9.795 1.00 2.59 H ATOM 1743 HD12 LEU A 121 -11.988 1.416 -11.411 1.00 2.48 H ATOM 1744 HD13 LEU A 121 -10.928 2.780 -11.060 1.00 2.62 H ATOM 1745 HD21 LEU A 121 -9.421 2.009 -13.026 1.00 2.22 H ATOM 1746 HD22 LEU A 121 -10.603 0.726 -13.277 1.00 2.39 H ATOM 1747 HD23 LEU A 121 -8.902 0.323 -13.051 1.00 1.93 H ATOM 1748 N MET A 122 -6.252 1.035 -8.687 1.00 0.34 N ATOM 1749 CA MET A 122 -5.236 1.651 -7.840 1.00 0.22 C ATOM 1750 C MET A 122 -4.011 0.760 -7.721 1.00 0.17 C ATOM 1751 O MET A 122 -3.948 -0.112 -6.855 1.00 0.21 O ATOM 1752 CB MET A 122 -5.807 1.945 -6.452 1.00 0.27 C ATOM 1753 CG MET A 122 -6.663 3.198 -6.388 1.00 0.65 C ATOM 1754 SD MET A 122 -8.206 2.950 -5.492 1.00 0.24 S ATOM 1755 CE MET A 122 -9.106 1.973 -6.684 1.00 0.54 C ATOM 1756 H MET A 122 -6.957 0.492 -8.269 1.00 0.45 H ATOM 1757 HA MET A 122 -4.940 2.583 -8.303 1.00 0.27 H ATOM 1758 HB2 MET A 122 -6.411 1.106 -6.139 1.00 0.60 H ATOM 1759 HB3 MET A 122 -4.985 2.064 -5.760 1.00 0.65 H ATOM 1760 HG2 MET A 122 -6.102 3.977 -5.896 1.00 1.15 H ATOM 1761 HG3 MET A 122 -6.896 3.509 -7.396 1.00 1.15 H ATOM 1762 HE1 MET A 122 -10.116 1.816 -6.335 1.00 1.27 H ATOM 1763 HE2 MET A 122 -8.615 1.018 -6.809 1.00 1.17 H ATOM 1764 HE3 MET A 122 -9.127 2.491 -7.630 1.00 1.16 H ATOM 1765 N ASN A 123 -3.043 0.984 -8.599 1.00 0.20 N ATOM 1766 CA ASN A 123 -1.813 0.201 -8.611 1.00 0.25 C ATOM 1767 C ASN A 123 -0.616 1.095 -8.893 1.00 0.22 C ATOM 1768 O ASN A 123 -0.716 2.059 -9.654 1.00 0.34 O ATOM 1769 CB ASN A 123 -1.867 -0.905 -9.674 1.00 0.44 C ATOM 1770 CG ASN A 123 -2.899 -1.975 -9.382 1.00 0.54 C ATOM 1771 OD1 ASN A 123 -2.607 -2.972 -8.722 1.00 1.13 O ATOM 1772 ND2 ASN A 123 -4.107 -1.794 -9.892 1.00 0.58 N ATOM 1773 H ASN A 123 -3.151 1.707 -9.251 1.00 0.24 H ATOM 1774 HA ASN A 123 -1.696 -0.248 -7.635 1.00 0.29 H ATOM 1775 HB2 ASN A 123 -2.101 -0.463 -10.631 1.00 0.96 H ATOM 1776 HB3 ASN A 123 -0.897 -1.378 -9.730 1.00 0.72 H ATOM 1777 HD21 ASN A 123 -4.269 -0.989 -10.427 1.00 0.71 H ATOM 1778 HD22 ASN A 123 -4.793 -2.472 -9.704 1.00 0.90 H ATOM 1779 N GLY A 124 0.511 0.769 -8.282 1.00 0.19 N ATOM 1780 CA GLY A 124 1.736 1.503 -8.522 1.00 0.21 C ATOM 1781 C GLY A 124 2.954 0.682 -8.151 1.00 0.23 C ATOM 1782 O GLY A 124 2.823 -0.455 -7.696 1.00 0.31 O ATOM 1783 H GLY A 124 0.513 0.015 -7.646 1.00 0.25 H ATOM 1784 HA2 GLY A 124 1.792 1.763 -9.571 1.00 0.27 H ATOM 1785 HA3 GLY A 124 1.727 2.408 -7.931 1.00 0.24 H ATOM 1786 N LYS A 125 4.138 1.249 -8.328 1.00 0.24 N ATOM 1787 CA LYS A 125 5.365 0.532 -8.022 1.00 0.28 C ATOM 1788 C LYS A 125 6.107 1.197 -6.870 1.00 0.25 C ATOM 1789 O LYS A 125 6.190 2.426 -6.795 1.00 0.26 O ATOM 1790 CB LYS A 125 6.281 0.465 -9.247 1.00 0.40 C ATOM 1791 CG LYS A 125 7.542 -0.355 -9.009 1.00 1.21 C ATOM 1792 CD LYS A 125 8.508 -0.273 -10.177 1.00 1.31 C ATOM 1793 CE LYS A 125 9.789 -1.040 -9.885 1.00 1.41 C ATOM 1794 NZ LYS A 125 10.799 -0.886 -10.966 1.00 1.48 N1+ ATOM 1795 H LYS A 125 4.189 2.175 -8.657 1.00 0.28 H ATOM 1796 HA LYS A 125 5.097 -0.471 -7.729 1.00 0.30 H ATOM 1797 HB2 LYS A 125 5.737 0.022 -10.067 1.00 0.96 H ATOM 1798 HB3 LYS A 125 6.575 1.468 -9.518 1.00 0.95 H ATOM 1799 HG2 LYS A 125 8.036 0.015 -8.123 1.00 1.88 H ATOM 1800 HG3 LYS A 125 7.263 -1.388 -8.857 1.00 1.80 H ATOM 1801 HD2 LYS A 125 8.038 -0.695 -11.052 1.00 1.50 H ATOM 1802 HD3 LYS A 125 8.752 0.763 -10.360 1.00 1.88 H ATOM 1803 HE2 LYS A 125 10.210 -0.672 -8.961 1.00 2.05 H ATOM 1804 HE3 LYS A 125 9.548 -2.087 -9.776 1.00 1.76 H ATOM 1805 HZ1 LYS A 125 11.657 -1.425 -10.730 1.00 1.75 H ATOM 1806 HZ2 LYS A 125 11.053 0.115 -11.084 1.00 1.94 H ATOM 1807 HZ3 LYS A 125 10.418 -1.244 -11.866 1.00 1.89 H ATOM 1808 N VAL A 126 6.651 0.384 -5.982 1.00 0.25 N ATOM 1809 CA VAL A 126 7.479 0.883 -4.902 1.00 0.25 C ATOM 1810 C VAL A 126 8.884 0.305 -5.037 1.00 0.30 C ATOM 1811 O VAL A 126 9.098 -0.903 -4.932 1.00 0.45 O ATOM 1812 CB VAL A 126 6.871 0.578 -3.510 1.00 0.42 C ATOM 1813 CG1 VAL A 126 6.450 -0.875 -3.391 1.00 1.10 C ATOM 1814 CG2 VAL A 126 7.844 0.945 -2.402 1.00 1.11 C ATOM 1815 H VAL A 126 6.514 -0.585 -6.068 1.00 0.28 H ATOM 1816 HA VAL A 126 7.542 1.958 -5.013 1.00 0.29 H ATOM 1817 HB VAL A 126 5.987 1.189 -3.394 1.00 1.25 H ATOM 1818 HG11 VAL A 126 5.675 -1.086 -4.112 1.00 1.77 H ATOM 1819 HG12 VAL A 126 6.077 -1.062 -2.395 1.00 1.60 H ATOM 1820 HG13 VAL A 126 7.301 -1.511 -3.582 1.00 1.63 H ATOM 1821 HG21 VAL A 126 8.067 2.001 -2.453 1.00 1.32 H ATOM 1822 HG22 VAL A 126 8.756 0.379 -2.523 1.00 1.58 H ATOM 1823 HG23 VAL A 126 7.403 0.716 -1.443 1.00 1.75 H ATOM 1824 N THR A 127 9.835 1.181 -5.306 1.00 0.35 N ATOM 1825 CA THR A 127 11.177 0.760 -5.660 1.00 0.54 C ATOM 1826 C THR A 127 12.162 1.062 -4.542 1.00 0.45 C ATOM 1827 O THR A 127 12.126 2.138 -3.944 1.00 0.37 O ATOM 1828 CB THR A 127 11.643 1.471 -6.946 1.00 0.76 C ATOM 1829 OG1 THR A 127 10.629 1.370 -7.951 1.00 0.86 O ATOM 1830 CG2 THR A 127 12.935 0.864 -7.470 1.00 0.97 C ATOM 1831 H THR A 127 9.635 2.143 -5.233 1.00 0.35 H ATOM 1832 HA THR A 127 11.160 -0.305 -5.844 1.00 0.68 H ATOM 1833 HB THR A 127 11.816 2.512 -6.719 1.00 0.75 H ATOM 1834 HG1 THR A 127 9.802 1.731 -7.605 1.00 1.16 H ATOM 1835 HG21 THR A 127 13.702 0.942 -6.713 1.00 1.18 H ATOM 1836 HG22 THR A 127 13.250 1.396 -8.356 1.00 1.35 H ATOM 1837 HG23 THR A 127 12.773 -0.175 -7.713 1.00 1.68 H ATOM 1838 N LEU A 128 13.030 0.105 -4.257 1.00 0.52 N ATOM 1839 CA LEU A 128 14.093 0.307 -3.292 1.00 0.49 C ATOM 1840 C LEU A 128 15.253 1.028 -3.965 1.00 0.50 C ATOM 1841 O LEU A 128 15.747 0.591 -5.006 1.00 0.59 O ATOM 1842 CB LEU A 128 14.562 -1.034 -2.721 1.00 0.59 C ATOM 1843 CG LEU A 128 15.603 -0.945 -1.601 1.00 0.73 C ATOM 1844 CD1 LEU A 128 14.999 -0.337 -0.346 1.00 0.78 C ATOM 1845 CD2 LEU A 128 16.174 -2.317 -1.300 1.00 1.44 C ATOM 1846 H LEU A 128 12.957 -0.761 -4.714 1.00 0.63 H ATOM 1847 HA LEU A 128 13.710 0.925 -2.492 1.00 0.42 H ATOM 1848 HB2 LEU A 128 13.699 -1.561 -2.340 1.00 0.98 H ATOM 1849 HB3 LEU A 128 14.988 -1.614 -3.529 1.00 0.67 H ATOM 1850 HG LEU A 128 16.415 -0.309 -1.922 1.00 1.27 H ATOM 1851 HD11 LEU A 128 14.134 -0.909 -0.049 1.00 1.22 H ATOM 1852 HD12 LEU A 128 14.709 0.683 -0.542 1.00 1.09 H ATOM 1853 HD13 LEU A 128 15.729 -0.356 0.449 1.00 1.52 H ATOM 1854 HD21 LEU A 128 15.375 -2.977 -0.995 1.00 1.91 H ATOM 1855 HD22 LEU A 128 16.900 -2.239 -0.506 1.00 1.83 H ATOM 1856 HD23 LEU A 128 16.648 -2.711 -2.186 1.00 2.01 H ATOM 1857 N VAL A 129 15.674 2.135 -3.385 1.00 0.46 N ATOM 1858 CA VAL A 129 16.754 2.925 -3.949 1.00 0.51 C ATOM 1859 C VAL A 129 17.874 3.100 -2.934 1.00 0.50 C ATOM 1860 O VAL A 129 17.757 2.653 -1.793 1.00 0.50 O ATOM 1861 CB VAL A 129 16.267 4.313 -4.428 1.00 0.54 C ATOM 1862 CG1 VAL A 129 15.233 4.166 -5.536 1.00 0.60 C ATOM 1863 CG2 VAL A 129 15.699 5.120 -3.269 1.00 0.50 C ATOM 1864 H VAL A 129 15.254 2.425 -2.542 1.00 0.42 H ATOM 1865 HA VAL A 129 17.142 2.390 -4.804 1.00 0.57 H ATOM 1866 HB VAL A 129 17.116 4.848 -4.830 1.00 0.60 H ATOM 1867 HG11 VAL A 129 14.395 3.593 -5.171 1.00 1.18 H ATOM 1868 HG12 VAL A 129 15.678 3.657 -6.379 1.00 1.11 H ATOM 1869 HG13 VAL A 129 14.893 5.145 -5.844 1.00 1.19 H ATOM 1870 HG21 VAL A 129 15.353 6.076 -3.631 1.00 1.04 H ATOM 1871 HG22 VAL A 129 16.468 5.274 -2.527 1.00 1.15 H ATOM 1872 HG23 VAL A 129 14.873 4.583 -2.825 1.00 1.15 H ATOM 1873 N ASP A 130 18.948 3.745 -3.354 1.00 0.55 N ATOM 1874 CA ASP A 130 20.105 3.974 -2.490 1.00 0.62 C ATOM 1875 C ASP A 130 19.830 5.078 -1.474 1.00 1.17 C ATOM 1876 O ASP A 130 19.033 4.902 -0.545 1.00 2.01 O ATOM 1877 CB ASP A 130 21.333 4.336 -3.335 1.00 0.98 C ATOM 1878 CG ASP A 130 21.112 5.567 -4.194 1.00 1.49 C ATOM 1879 OD1 ASP A 130 20.534 5.433 -5.292 1.00 2.25 O ATOM 1880 OD2 ASP A 130 21.520 6.671 -3.786 1.00 1.87 O1- ATOM 1881 H ASP A 130 18.971 4.080 -4.277 1.00 0.60 H ATOM 1882 HA ASP A 130 20.305 3.056 -1.959 1.00 0.60 H ATOM 1883 HB2 ASP A 130 22.170 4.526 -2.679 1.00 1.72 H ATOM 1884 HB3 ASP A 130 21.572 3.505 -3.985 1.00 1.39 H