ATOM 46 N ASP A 3 -6.044 -2.567 -0.555 1.00 1.60 N ATOM 47 CA ASP A 3 -4.761 -1.903 -0.326 1.00 1.40 C ATOM 48 C ASP A 3 -4.913 -0.391 -0.442 1.00 0.92 C ATOM 49 O ASP A 3 -4.533 0.211 -1.447 1.00 1.08 O ATOM 50 CB ASP A 3 -3.699 -2.394 -1.318 1.00 2.20 C ATOM 51 CG ASP A 3 -3.399 -3.872 -1.180 1.00 3.14 C ATOM 52 OD1 ASP A 3 -4.009 -4.683 -1.910 1.00 3.82 O ATOM 53 OD2 ASP A 3 -2.551 -4.233 -0.339 1.00 3.65 O ATOM 54 H ASP A 3 -6.202 -3.015 -1.413 1.00 1.95 H ATOM 55 HA ASP A 3 -4.442 -2.142 0.676 1.00 1.79 H ATOM 56 HB2 ASP A 3 -4.045 -2.211 -2.324 1.00 2.37 H ATOM 57 HB3 ASP A 3 -2.783 -1.843 -1.154 1.00 2.70 H ATOM 58 N GLU A 4 -5.463 0.217 0.597 1.00 0.75 N ATOM 59 CA GLU A 4 -5.716 1.653 0.614 1.00 0.68 C ATOM 60 C GLU A 4 -4.412 2.421 0.785 1.00 0.52 C ATOM 61 O GLU A 4 -4.298 3.584 0.395 1.00 0.55 O ATOM 62 CB GLU A 4 -6.679 1.999 1.746 1.00 1.18 C ATOM 63 CG GLU A 4 -7.965 1.193 1.711 1.00 1.84 C ATOM 64 CD GLU A 4 -8.886 1.529 2.860 1.00 2.45 C ATOM 65 OE1 GLU A 4 -9.736 2.431 2.704 1.00 2.93 O ATOM 66 OE2 GLU A 4 -8.768 0.887 3.926 1.00 2.94 O ATOM 67 H GLU A 4 -5.706 -0.318 1.383 1.00 1.06 H ATOM 68 HA GLU A 4 -6.164 1.926 -0.330 1.00 0.78 H ATOM 69 HB2 GLU A 4 -6.188 1.814 2.691 1.00 1.66 H ATOM 70 HB3 GLU A 4 -6.933 3.047 1.680 1.00 1.67 H ATOM 71 HG2 GLU A 4 -8.480 1.399 0.784 1.00 2.32 H ATOM 72 HG3 GLU A 4 -7.719 0.144 1.761 1.00 2.31 H ATOM 73 N CYS A 5 -3.423 1.750 1.354 1.00 0.49 N ATOM 74 CA CYS A 5 -2.119 2.333 1.574 1.00 0.48 C ATOM 75 C CYS A 5 -1.371 2.520 0.252 1.00 0.36 C ATOM 76 O CYS A 5 -0.278 3.071 0.221 1.00 0.39 O ATOM 77 CB CYS A 5 -1.317 1.453 2.521 1.00 0.63 C ATOM 78 SG CYS A 5 -0.563 -0.003 1.733 1.00 1.15 S ATOM 79 H CYS A 5 -3.579 0.834 1.661 1.00 0.58 H ATOM 80 HA CYS A 5 -2.264 3.299 2.033 1.00 0.55 H ATOM 81 HB2 CYS A 5 -0.530 2.036 2.952 1.00 1.25 H ATOM 82 HB3 CYS A 5 -1.966 1.101 3.308 1.00 1.29 H ATOM 83 N CYS A 6 -1.962 2.035 -0.833 1.00 0.32 N ATOM 84 CA CYS A 6 -1.404 2.193 -2.175 1.00 0.36 C ATOM 85 C CYS A 6 -1.206 3.673 -2.521 1.00 0.27 C ATOM 86 O CYS A 6 -0.318 4.029 -3.295 1.00 0.38 O ATOM 87 CB CYS A 6 -2.346 1.526 -3.181 1.00 0.47 C ATOM 88 SG CYS A 6 -1.868 1.689 -4.933 1.00 1.33 S ATOM 89 H CYS A 6 -2.810 1.552 -0.731 1.00 0.36 H ATOM 90 HA CYS A 6 -0.442 1.696 -2.202 1.00 0.47 H ATOM 91 HB2 CYS A 6 -2.402 0.472 -2.961 1.00 1.05 H ATOM 92 HB3 CYS A 6 -3.329 1.960 -3.068 1.00 0.98 H ATOM 93 N SER A 7 -2.013 4.533 -1.914 1.00 0.20 N ATOM 94 CA SER A 7 -1.914 5.973 -2.131 1.00 0.28 C ATOM 95 C SER A 7 -0.943 6.583 -1.123 1.00 0.27 C ATOM 96 O SER A 7 -0.931 7.790 -0.889 1.00 0.47 O ATOM 97 CB SER A 7 -3.295 6.614 -2.000 1.00 0.39 C ATOM 98 OG SER A 7 -4.226 5.976 -2.859 1.00 1.24 O ATOM 99 H SER A 7 -2.688 4.193 -1.295 1.00 0.23 H ATOM 100 HA SER A 7 -1.535 6.136 -3.130 1.00 0.36 H ATOM 101 HB2 SER A 7 -3.639 6.521 -0.981 1.00 1.18 H ATOM 102 HB3 SER A 7 -3.234 7.658 -2.268 1.00 1.00 H ATOM 103 HG SER A 7 -3.972 6.133 -3.778 1.00 1.80 H ATOM 104 N ASN A 8 -0.145 5.717 -0.525 1.00 0.16 N ATOM 105 CA ASN A 8 0.840 6.097 0.468 1.00 0.16 C ATOM 106 C ASN A 8 2.169 5.483 0.093 1.00 0.14 C ATOM 107 O ASN A 8 2.380 4.287 0.304 1.00 0.18 O ATOM 108 CB ASN A 8 0.432 5.571 1.840 1.00 0.19 C ATOM 109 CG ASN A 8 -0.875 6.158 2.335 1.00 0.27 C ATOM 110 OD1 ASN A 8 -0.890 7.138 3.077 1.00 0.43 O ATOM 111 ND2 ASN A 8 -1.980 5.574 1.903 1.00 0.32 N ATOM 112 H ASN A 8 -0.216 4.769 -0.766 1.00 0.26 H ATOM 113 HA ASN A 8 0.922 7.172 0.493 1.00 0.21 H ATOM 114 HB2 ASN A 8 0.323 4.499 1.772 1.00 0.20 H ATOM 115 HB3 ASN A 8 1.209 5.800 2.553 1.00 0.23 H ATOM 116 HD21 ASN A 8 -1.891 4.814 1.295 1.00 0.40 H ATOM 117 HD22 ASN A 8 -2.844 5.926 2.213 1.00 0.39 H ATOM 118 N PRO A 9 3.080 6.269 -0.477 1.00 0.18 N ATOM 119 CA PRO A 9 4.375 5.761 -0.914 1.00 0.22 C ATOM 120 C PRO A 9 5.143 5.084 0.217 1.00 0.22 C ATOM 121 O PRO A 9 5.989 4.232 -0.029 1.00 0.34 O ATOM 122 CB PRO A 9 5.108 7.017 -1.398 1.00 0.30 C ATOM 123 CG PRO A 9 4.029 7.980 -1.738 1.00 0.67 C ATOM 124 CD PRO A 9 2.926 7.707 -0.760 1.00 0.29 C ATOM 125 HA PRO A 9 4.259 5.064 -1.729 1.00 0.25 H ATOM 126 HB2 PRO A 9 5.731 7.396 -0.606 1.00 0.47 H ATOM 127 HB3 PRO A 9 5.712 6.780 -2.260 1.00 0.54 H ATOM 128 HG2 PRO A 9 4.389 8.993 -1.627 1.00 1.09 H ATOM 129 HG3 PRO A 9 3.685 7.810 -2.747 1.00 1.15 H ATOM 130 HD2 PRO A 9 3.060 8.295 0.136 1.00 0.38 H ATOM 131 HD3 PRO A 9 1.970 7.910 -1.207 1.00 0.41 H ATOM 132 N VAL A 10 4.800 5.428 1.455 1.00 0.18 N ATOM 133 CA VAL A 10 5.487 4.891 2.624 1.00 0.25 C ATOM 134 C VAL A 10 5.110 3.433 2.837 1.00 0.25 C ATOM 135 O VAL A 10 5.888 2.633 3.360 1.00 0.34 O ATOM 136 CB VAL A 10 5.151 5.707 3.891 1.00 0.40 C ATOM 137 CG1 VAL A 10 3.834 5.271 4.519 1.00 1.22 C ATOM 138 CG2 VAL A 10 6.288 5.638 4.900 1.00 1.26 C ATOM 139 H VAL A 10 4.051 6.055 1.584 1.00 0.16 H ATOM 140 HA VAL A 10 6.551 4.955 2.445 1.00 0.28 H ATOM 141 HB VAL A 10 5.035 6.728 3.587 1.00 0.81 H ATOM 142 HG11 VAL A 10 3.895 4.228 4.792 1.00 1.65 H ATOM 143 HG12 VAL A 10 3.035 5.409 3.807 1.00 1.91 H ATOM 144 HG13 VAL A 10 3.640 5.863 5.399 1.00 1.72 H ATOM 145 HG21 VAL A 10 7.193 6.020 4.451 1.00 1.79 H ATOM 146 HG22 VAL A 10 6.440 4.612 5.201 1.00 1.87 H ATOM 147 HG23 VAL A 10 6.036 6.233 5.766 1.00 1.78 H ATOM 148 N CYS A 11 3.909 3.090 2.419 1.00 0.25 N ATOM 149 CA CYS A 11 3.444 1.720 2.531 1.00 0.33 C ATOM 150 C CYS A 11 4.074 0.854 1.455 1.00 0.31 C ATOM 151 O CYS A 11 4.543 -0.243 1.728 1.00 0.39 O ATOM 152 CB CYS A 11 1.919 1.628 2.436 1.00 0.46 C ATOM 153 SG CYS A 11 1.280 -0.079 2.575 1.00 1.29 S ATOM 154 H CYS A 11 3.322 3.783 2.044 1.00 0.26 H ATOM 155 HA CYS A 11 3.754 1.354 3.496 1.00 0.38 H ATOM 156 HB2 CYS A 11 1.479 2.211 3.230 1.00 1.17 H ATOM 157 HB3 CYS A 11 1.599 2.025 1.484 1.00 0.89 H ATOM 158 N ARG A 12 4.125 1.364 0.236 1.00 0.31 N ATOM 159 CA ARG A 12 4.548 0.548 -0.890 1.00 0.38 C ATOM 160 C ARG A 12 6.062 0.397 -0.985 1.00 0.34 C ATOM 161 O ARG A 12 6.561 -0.476 -1.694 1.00 0.45 O ATOM 162 CB ARG A 12 3.930 1.033 -2.199 1.00 0.45 C ATOM 163 CG ARG A 12 3.893 2.526 -2.331 1.00 0.43 C ATOM 164 CD ARG A 12 3.046 2.961 -3.513 1.00 0.42 C ATOM 165 NE ARG A 12 3.200 2.074 -4.669 1.00 1.07 N ATOM 166 CZ ARG A 12 3.413 2.488 -5.918 1.00 1.32 C ATOM 167 NH1 ARG A 12 3.563 3.780 -6.186 1.00 1.25 N ATOM 168 NH2 ARG A 12 3.468 1.600 -6.903 1.00 2.15 N ATOM 169 H ARG A 12 3.877 2.301 0.093 1.00 0.32 H ATOM 170 HA ARG A 12 4.161 -0.412 -0.691 1.00 0.46 H ATOM 171 HB2 ARG A 12 4.502 0.642 -3.023 1.00 0.79 H ATOM 172 HB3 ARG A 12 2.919 0.660 -2.266 1.00 0.80 H ATOM 173 HG2 ARG A 12 3.458 2.923 -1.430 1.00 0.74 H ATOM 174 HG3 ARG A 12 4.899 2.895 -2.451 1.00 0.76 H ATOM 175 HD2 ARG A 12 2.009 2.960 -3.206 1.00 0.93 H ATOM 176 HD3 ARG A 12 3.335 3.962 -3.796 1.00 0.84 H ATOM 177 HE ARG A 12 3.108 1.108 -4.509 1.00 1.67 H ATOM 178 HH11 ARG A 12 3.518 4.457 -5.449 1.00 1.25 H ATOM 179 HH12 ARG A 12 3.727 4.085 -7.126 1.00 1.66 H ATOM 180 HH21 ARG A 12 3.338 0.616 -6.704 1.00 2.66 H ATOM 181 HH22 ARG A 12 3.642 1.899 -7.844 1.00 2.40 H ATOM 182 N VAL A 13 6.793 1.246 -0.291 1.00 0.26 N ATOM 183 CA VAL A 13 8.228 1.084 -0.183 1.00 0.30 C ATOM 184 C VAL A 13 8.590 -0.049 0.781 1.00 0.24 C ATOM 185 O VAL A 13 9.467 -0.862 0.491 1.00 0.40 O ATOM 186 CB VAL A 13 8.899 2.383 0.280 1.00 0.41 C ATOM 187 CG1 VAL A 13 8.889 3.420 -0.828 1.00 1.45 C ATOM 188 CG2 VAL A 13 8.221 2.915 1.527 1.00 1.52 C ATOM 189 H VAL A 13 6.368 2.009 0.137 1.00 0.26 H ATOM 190 HA VAL A 13 8.607 0.840 -1.164 1.00 0.41 H ATOM 191 HB VAL A 13 9.913 2.162 0.525 1.00 1.12 H ATOM 192 HG11 VAL A 13 7.869 3.642 -1.106 1.00 2.05 H ATOM 193 HG12 VAL A 13 9.419 3.034 -1.685 1.00 2.05 H ATOM 194 HG13 VAL A 13 9.372 4.322 -0.482 1.00 2.01 H ATOM 195 HG21 VAL A 13 8.412 2.246 2.351 1.00 2.09 H ATOM 196 HG22 VAL A 13 7.152 2.970 1.356 1.00 2.08 H ATOM 197 HG23 VAL A 13 8.602 3.896 1.758 1.00 2.12 H ATOM 198 N ASN A 14 7.912 -0.112 1.929 1.00 0.21 N ATOM 199 CA ASN A 14 8.204 -1.154 2.911 1.00 0.33 C ATOM 200 C ASN A 14 7.514 -2.453 2.512 1.00 0.35 C ATOM 201 O ASN A 14 8.067 -3.541 2.676 1.00 0.49 O ATOM 202 CB ASN A 14 7.796 -0.729 4.335 1.00 0.52 C ATOM 203 CG ASN A 14 6.326 -0.950 4.657 1.00 0.90 C ATOM 204 OD1 ASN A 14 5.932 -2.026 5.110 1.00 1.71 O ATOM 205 ND2 ASN A 14 5.507 0.065 4.447 1.00 1.17 N ATOM 206 H ASN A 14 7.215 0.554 2.118 1.00 0.26 H ATOM 207 HA ASN A 14 9.271 -1.319 2.892 1.00 0.41 H ATOM 208 HB2 ASN A 14 8.379 -1.292 5.043 1.00 1.20 H ATOM 209 HB3 ASN A 14 8.016 0.323 4.462 1.00 1.08 H ATOM 210 HD21 ASN A 14 5.881 0.902 4.097 1.00 1.23 H ATOM 211 HD22 ASN A 14 4.554 -0.056 4.659 1.00 1.74 H ATOM 212 N ASN A 15 6.312 -2.324 1.973 1.00 0.36 N ATOM 213 CA ASN A 15 5.569 -3.441 1.458 1.00 0.45 C ATOM 214 C ASN A 15 5.829 -3.552 -0.030 1.00 0.73 C ATOM 215 O ASN A 15 5.270 -2.806 -0.833 1.00 1.32 O ATOM 216 CB ASN A 15 4.090 -3.262 1.684 1.00 0.82 C ATOM 217 CG ASN A 15 3.495 -4.314 2.595 1.00 1.75 C ATOM 218 OD1 ASN A 15 4.155 -4.826 3.502 1.00 2.56 O ATOM 219 ND2 ASN A 15 2.249 -4.661 2.337 1.00 2.27 N ATOM 220 H ASN A 15 5.917 -1.446 1.905 1.00 0.40 H ATOM 221 HA ASN A 15 5.902 -4.334 1.958 1.00 0.71 H ATOM 222 HB2 ASN A 15 3.908 -2.286 2.114 1.00 1.47 H ATOM 223 HB3 ASN A 15 3.612 -3.332 0.727 1.00 0.82 H ATOM 224 HD21 ASN A 15 1.796 -4.222 1.581 1.00 2.25 H ATOM 225 HD22 ASN A 15 1.824 -5.339 2.905 1.00 3.00 H ATOM 241 N HIS A 17 5.787 -3.704 -3.433 1.00 1.47 N ATOM 242 CA HIS A 17 4.926 -3.676 -4.608 1.00 1.83 C ATOM 243 C HIS A 17 3.577 -4.350 -4.344 1.00 1.80 C ATOM 244 O HIS A 17 3.065 -5.086 -5.186 1.00 2.36 O ATOM 245 CB HIS A 17 5.637 -4.328 -5.804 1.00 2.49 C ATOM 246 CG HIS A 17 5.018 -4.012 -7.135 1.00 3.06 C ATOM 247 ND1 HIS A 17 4.710 -4.977 -8.070 1.00 3.61 N ATOM 248 CD2 HIS A 17 4.671 -2.828 -7.694 1.00 3.81 C ATOM 249 CE1 HIS A 17 4.203 -4.401 -9.143 1.00 4.43 C ATOM 250 NE2 HIS A 17 4.169 -3.100 -8.941 1.00 4.56 N ATOM 251 H HIS A 17 6.081 -2.848 -3.048 1.00 1.80 H ATOM 252 HA HIS A 17 4.742 -2.640 -4.846 1.00 1.98 H ATOM 253 HB2 HIS A 17 6.661 -3.990 -5.830 1.00 2.89 H ATOM 254 HB3 HIS A 17 5.622 -5.401 -5.679 1.00 2.78 H ATOM 255 HD1 HIS A 17 4.843 -5.946 -7.962 1.00 3.74 H ATOM 256 HD2 HIS A 17 4.773 -1.851 -7.242 1.00 4.12 H ATOM 257 HE1 HIS A 17 3.871 -4.910 -10.035 1.00 5.16 H ATOM 258 HE2 HIS A 17 3.742 -2.444 -9.539 1.00 5.29 H ATOM 259 N VAL A 18 3.000 -4.110 -3.168 1.00 1.42 N ATOM 260 CA VAL A 18 1.629 -4.519 -2.911 1.00 1.64 C ATOM 261 C VAL A 18 0.674 -3.553 -3.604 1.00 1.68 C ATOM 262 O VAL A 18 -0.529 -3.797 -3.710 1.00 2.19 O ATOM 263 CB VAL A 18 1.337 -4.564 -1.405 1.00 1.79 C ATOM 264 CG1 VAL A 18 2.228 -5.597 -0.732 1.00 2.51 C ATOM 265 CG2 VAL A 18 1.522 -3.187 -0.780 1.00 2.52 C ATOM 266 H VAL A 18 3.508 -3.677 -2.446 1.00 1.27 H ATOM 267 HA VAL A 18 1.492 -5.509 -3.321 1.00 2.00 H ATOM 268 HB VAL A 18 0.315 -4.862 -1.266 1.00 1.75 H ATOM 269 HG11 VAL A 18 2.126 -6.544 -1.240 1.00 2.89 H ATOM 270 HG12 VAL A 18 1.933 -5.713 0.299 1.00 3.06 H ATOM 271 HG13 VAL A 18 3.257 -5.273 -0.778 1.00 2.90 H ATOM 272 HG21 VAL A 18 2.539 -2.856 -0.932 1.00 2.98 H ATOM 273 HG22 VAL A 18 1.315 -3.239 0.278 1.00 2.81 H ATOM 274 HG23 VAL A 18 0.844 -2.487 -1.246 1.00 3.01 H ATOM 275 N CYS A 19 1.248 -2.461 -4.077 1.00 1.57 N ATOM 276 CA CYS A 19 0.541 -1.451 -4.833 1.00 1.91 C ATOM 277 C CYS A 19 1.325 -1.147 -6.100 1.00 2.65 C ATOM 278 O CYS A 19 2.486 -0.702 -5.983 1.00 3.17 O ATOM 279 CB CYS A 19 0.358 -0.186 -3.988 1.00 1.69 C ATOM 280 SG CYS A 19 0.130 1.348 -4.952 1.00 1.79 S ATOM 281 OXT CYS A 19 0.792 -1.382 -7.203 1.00 3.23 O ATOM 282 H CYS A 19 2.204 -2.335 -3.920 1.00 1.62 H ATOM 283 HA CYS A 19 -0.428 -1.846 -5.103 1.00 2.34 H ATOM 284 HB2 CYS A 19 -0.510 -0.308 -3.359 1.00 1.86 H ATOM 285 HB3 CYS A 19 1.229 -0.054 -3.363 1.00 2.15 H