ATOM 46 N ASP A 3 -5.933 -2.214 -0.022 1.00 1.60 N ATOM 47 CA ASP A 3 -4.609 -1.790 -0.456 1.00 1.40 C ATOM 48 C ASP A 3 -4.491 -0.275 -0.510 1.00 0.92 C ATOM 49 O ASP A 3 -3.857 0.285 -1.406 1.00 1.08 O ATOM 50 CB ASP A 3 -4.271 -2.384 -1.819 1.00 2.20 C ATOM 51 CG ASP A 3 -5.246 -1.990 -2.912 1.00 3.14 C ATOM 52 OD1 ASP A 3 -6.325 -2.604 -3.008 1.00 3.82 O ATOM 53 OD2 ASP A 3 -4.943 -1.048 -3.677 1.00 3.65 O ATOM 54 H ASP A 3 -6.673 -2.207 -0.668 1.00 1.95 H ATOM 55 HA ASP A 3 -3.898 -2.160 0.265 1.00 1.79 H ATOM 56 HB2 ASP A 3 -3.295 -2.043 -2.102 1.00 2.37 H ATOM 57 HB3 ASP A 3 -4.264 -3.459 -1.736 1.00 2.70 H ATOM 58 N GLU A 4 -5.062 0.378 0.485 1.00 0.75 N ATOM 59 CA GLU A 4 -5.035 1.838 0.566 1.00 0.68 C ATOM 60 C GLU A 4 -3.597 2.352 0.649 1.00 0.52 C ATOM 61 O GLU A 4 -3.319 3.507 0.326 1.00 0.55 O ATOM 62 CB GLU A 4 -5.848 2.343 1.763 1.00 1.18 C ATOM 63 CG GLU A 4 -5.376 1.813 3.107 1.00 1.84 C ATOM 64 CD GLU A 4 -5.979 2.574 4.270 1.00 2.45 C ATOM 65 OE1 GLU A 4 -5.310 3.485 4.799 1.00 2.93 O ATOM 66 OE2 GLU A 4 -7.129 2.276 4.659 1.00 2.94 O ATOM 67 H GLU A 4 -5.505 -0.137 1.184 1.00 1.06 H ATOM 68 HA GLU A 4 -5.481 2.220 -0.342 1.00 0.78 H ATOM 69 HB2 GLU A 4 -5.791 3.421 1.788 1.00 1.66 H ATOM 70 HB3 GLU A 4 -6.879 2.052 1.629 1.00 1.67 H ATOM 71 HG2 GLU A 4 -5.657 0.774 3.191 1.00 2.32 H ATOM 72 HG3 GLU A 4 -4.300 1.901 3.157 1.00 2.31 H ATOM 73 N CYS A 5 -2.682 1.473 1.052 1.00 0.49 N ATOM 74 CA CYS A 5 -1.267 1.791 1.118 1.00 0.48 C ATOM 75 C CYS A 5 -0.695 2.150 -0.251 1.00 0.36 C ATOM 76 O CYS A 5 0.446 2.583 -0.356 1.00 0.39 O ATOM 77 CB CYS A 5 -0.499 0.611 1.703 1.00 0.63 C ATOM 78 SG CYS A 5 -0.543 0.517 3.519 1.00 1.15 S ATOM 79 H CYS A 5 -2.969 0.576 1.320 1.00 0.58 H ATOM 80 HA CYS A 5 -1.150 2.639 1.776 1.00 0.55 H ATOM 81 HB2 CYS A 5 -0.919 -0.306 1.318 1.00 1.25 H ATOM 82 HB3 CYS A 5 0.526 0.679 1.399 1.00 1.29 H ATOM 83 N CYS A 6 -1.480 1.966 -1.298 1.00 0.32 N ATOM 84 CA CYS A 6 -1.062 2.356 -2.632 1.00 0.36 C ATOM 85 C CYS A 6 -0.999 3.876 -2.742 1.00 0.27 C ATOM 86 O CYS A 6 -0.146 4.426 -3.437 1.00 0.38 O ATOM 87 CB CYS A 6 -2.031 1.805 -3.669 1.00 0.47 C ATOM 88 SG CYS A 6 -1.460 2.000 -5.387 1.00 1.33 S ATOM 89 H CYS A 6 -2.365 1.550 -1.173 1.00 0.36 H ATOM 90 HA CYS A 6 -0.074 1.948 -2.808 1.00 0.47 H ATOM 91 HB2 CYS A 6 -2.184 0.752 -3.486 1.00 1.05 H ATOM 92 HB3 CYS A 6 -2.973 2.326 -3.567 1.00 0.98 H ATOM 93 N SER A 7 -1.894 4.548 -2.025 1.00 0.20 N ATOM 94 CA SER A 7 -1.932 6.004 -2.016 1.00 0.28 C ATOM 95 C SER A 7 -0.954 6.537 -0.978 1.00 0.27 C ATOM 96 O SER A 7 -0.818 7.743 -0.778 1.00 0.47 O ATOM 97 CB SER A 7 -3.350 6.488 -1.711 1.00 0.39 C ATOM 98 OG SER A 7 -4.284 5.902 -2.602 1.00 1.24 O ATOM 99 H SER A 7 -2.541 4.053 -1.477 1.00 0.23 H ATOM 100 HA SER A 7 -1.636 6.355 -2.993 1.00 0.36 H ATOM 101 HB2 SER A 7 -3.614 6.213 -0.700 1.00 1.18 H ATOM 102 HB3 SER A 7 -3.394 7.561 -1.816 1.00 1.00 H ATOM 103 HG SER A 7 -3.838 5.681 -3.432 1.00 1.80 H ATOM 104 N ASN A 8 -0.273 5.606 -0.332 1.00 0.16 N ATOM 105 CA ASN A 8 0.705 5.915 0.695 1.00 0.16 C ATOM 106 C ASN A 8 2.050 5.383 0.261 1.00 0.14 C ATOM 107 O ASN A 8 2.384 4.231 0.549 1.00 0.18 O ATOM 108 CB ASN A 8 0.318 5.252 2.011 1.00 0.19 C ATOM 109 CG ASN A 8 -0.991 5.763 2.563 1.00 0.27 C ATOM 110 OD1 ASN A 8 -1.025 6.635 3.432 1.00 0.43 O ATOM 111 ND2 ASN A 8 -2.078 5.242 2.032 1.00 0.32 N ATOM 112 H ASN A 8 -0.420 4.669 -0.571 1.00 0.26 H ATOM 113 HA ASN A 8 0.753 6.985 0.821 1.00 0.21 H ATOM 114 HB2 ASN A 8 0.226 4.190 1.843 1.00 0.20 H ATOM 115 HB3 ASN A 8 1.093 5.432 2.741 1.00 0.23 H ATOM 116 HD21 ASN A 8 -1.967 4.571 1.321 1.00 0.40 H ATOM 117 HD22 ASN A 8 -2.952 5.548 2.359 1.00 0.39 H ATOM 118 N PRO A 9 2.843 6.195 -0.437 1.00 0.18 N ATOM 119 CA PRO A 9 4.107 5.743 -1.008 1.00 0.22 C ATOM 120 C PRO A 9 5.046 5.164 0.041 1.00 0.22 C ATOM 121 O PRO A 9 5.896 4.344 -0.274 1.00 0.34 O ATOM 122 CB PRO A 9 4.695 7.010 -1.641 1.00 0.30 C ATOM 123 CG PRO A 9 3.972 8.136 -0.994 1.00 0.67 C ATOM 124 CD PRO A 9 2.595 7.616 -0.724 1.00 0.29 C ATOM 125 HA PRO A 9 3.937 4.997 -1.772 1.00 0.25 H ATOM 126 HB2 PRO A 9 5.754 7.055 -1.449 1.00 0.47 H ATOM 127 HB3 PRO A 9 4.515 6.995 -2.702 1.00 0.54 H ATOM 128 HG2 PRO A 9 4.462 8.408 -0.070 1.00 1.09 H ATOM 129 HG3 PRO A 9 3.930 8.982 -1.663 1.00 1.15 H ATOM 130 HD2 PRO A 9 2.167 8.115 0.125 1.00 0.38 H ATOM 131 HD3 PRO A 9 1.966 7.731 -1.594 1.00 0.41 H ATOM 132 N VAL A 10 4.843 5.536 1.298 1.00 0.18 N ATOM 133 CA VAL A 10 5.726 5.081 2.366 1.00 0.25 C ATOM 134 C VAL A 10 5.343 3.668 2.796 1.00 0.25 C ATOM 135 O VAL A 10 6.192 2.855 3.168 1.00 0.34 O ATOM 136 CB VAL A 10 5.689 6.034 3.582 1.00 0.40 C ATOM 137 CG1 VAL A 10 6.620 5.550 4.686 1.00 1.22 C ATOM 138 CG2 VAL A 10 6.060 7.448 3.161 1.00 1.26 C ATOM 139 H VAL A 10 4.060 6.099 1.514 1.00 0.16 H ATOM 140 HA VAL A 10 6.734 5.063 1.975 1.00 0.28 H ATOM 141 HB VAL A 10 4.682 6.050 3.974 1.00 0.81 H ATOM 142 HG11 VAL A 10 6.572 6.229 5.524 1.00 1.65 H ATOM 143 HG12 VAL A 10 7.632 5.511 4.311 1.00 1.91 H ATOM 144 HG13 VAL A 10 6.317 4.563 5.006 1.00 1.72 H ATOM 145 HG21 VAL A 10 7.064 7.454 2.765 1.00 1.79 H ATOM 146 HG22 VAL A 10 6.006 8.103 4.015 1.00 1.87 H ATOM 147 HG23 VAL A 10 5.373 7.789 2.402 1.00 1.78 H ATOM 148 N CYS A 11 4.063 3.360 2.704 1.00 0.25 N ATOM 149 CA CYS A 11 3.589 2.041 3.074 1.00 0.33 C ATOM 150 C CYS A 11 3.923 1.031 1.977 1.00 0.31 C ATOM 151 O CYS A 11 4.207 -0.133 2.259 1.00 0.39 O ATOM 152 CB CYS A 11 2.079 2.061 3.346 1.00 0.46 C ATOM 153 SG CYS A 11 1.420 0.503 4.035 1.00 1.29 S ATOM 154 H CYS A 11 3.426 4.032 2.380 1.00 0.26 H ATOM 155 HA CYS A 11 4.102 1.751 3.978 1.00 0.38 H ATOM 156 HB2 CYS A 11 1.859 2.850 4.050 1.00 1.17 H ATOM 157 HB3 CYS A 11 1.558 2.258 2.421 1.00 0.89 H ATOM 158 N ARG A 12 3.921 1.476 0.722 1.00 0.31 N ATOM 159 CA ARG A 12 4.139 0.556 -0.385 1.00 0.38 C ATOM 160 C ARG A 12 5.610 0.274 -0.660 1.00 0.34 C ATOM 161 O ARG A 12 5.943 -0.744 -1.262 1.00 0.45 O ATOM 162 CB ARG A 12 3.425 1.023 -1.648 1.00 0.45 C ATOM 163 CG ARG A 12 3.718 2.451 -1.991 1.00 0.43 C ATOM 164 CD ARG A 12 2.834 2.952 -3.120 1.00 0.42 C ATOM 165 NE ARG A 12 2.822 2.037 -4.266 1.00 1.07 N ATOM 166 CZ ARG A 12 2.749 2.430 -5.536 1.00 1.32 C ATOM 167 NH1 ARG A 12 2.733 3.717 -5.845 1.00 1.25 N ATOM 168 NH2 ARG A 12 2.702 1.524 -6.500 1.00 2.15 N ATOM 169 H ARG A 12 3.756 2.427 0.542 1.00 0.32 H ATOM 170 HA ARG A 12 3.703 -0.352 -0.084 1.00 0.46 H ATOM 171 HB2 ARG A 12 3.738 0.409 -2.475 1.00 0.79 H ATOM 172 HB3 ARG A 12 2.359 0.917 -1.510 1.00 0.80 H ATOM 173 HG2 ARG A 12 3.534 3.036 -1.110 1.00 0.74 H ATOM 174 HG3 ARG A 12 4.754 2.538 -2.281 1.00 0.76 H ATOM 175 HD2 ARG A 12 1.829 3.056 -2.743 1.00 0.93 H ATOM 176 HD3 ARG A 12 3.198 3.916 -3.444 1.00 0.84 H ATOM 177 HE ARG A 12 2.855 1.070 -4.074 1.00 1.67 H ATOM 178 HH11 ARG A 12 2.777 4.413 -5.125 1.00 1.25 H ATOM 179 HH12 ARG A 12 2.679 4.004 -6.807 1.00 1.66 H ATOM 180 HH21 ARG A 12 2.720 0.544 -6.270 1.00 2.66 H ATOM 181 HH22 ARG A 12 2.649 1.809 -7.462 1.00 2.40 H ATOM 182 N VAL A 13 6.488 1.159 -0.224 1.00 0.26 N ATOM 183 CA VAL A 13 7.914 0.949 -0.387 1.00 0.30 C ATOM 184 C VAL A 13 8.436 -0.139 0.547 1.00 0.24 C ATOM 185 O VAL A 13 9.328 -0.901 0.179 1.00 0.40 O ATOM 186 CB VAL A 13 8.690 2.246 -0.138 1.00 0.41 C ATOM 187 CG1 VAL A 13 8.431 3.246 -1.246 1.00 1.45 C ATOM 188 CG2 VAL A 13 8.319 2.827 1.208 1.00 1.52 C ATOM 189 H VAL A 13 6.176 1.982 0.194 1.00 0.26 H ATOM 190 HA VAL A 13 8.087 0.644 -1.409 1.00 0.41 H ATOM 191 HB VAL A 13 9.733 2.016 -0.127 1.00 1.12 H ATOM 192 HG11 VAL A 13 8.741 2.829 -2.190 1.00 2.05 H ATOM 193 HG12 VAL A 13 8.986 4.151 -1.050 1.00 2.05 H ATOM 194 HG13 VAL A 13 7.376 3.472 -1.279 1.00 2.01 H ATOM 195 HG21 VAL A 13 8.741 2.217 1.991 1.00 2.09 H ATOM 196 HG22 VAL A 13 7.237 2.830 1.306 1.00 2.08 H ATOM 197 HG23 VAL A 13 8.694 3.834 1.287 1.00 2.12 H ATOM 198 N ASN A 14 7.890 -0.215 1.758 1.00 0.21 N ATOM 199 CA ASN A 14 8.324 -1.241 2.708 1.00 0.33 C ATOM 200 C ASN A 14 7.534 -2.525 2.506 1.00 0.35 C ATOM 201 O ASN A 14 7.868 -3.570 3.065 1.00 0.49 O ATOM 202 CB ASN A 14 8.173 -0.764 4.155 1.00 0.52 C ATOM 203 CG ASN A 14 6.727 -0.694 4.602 1.00 0.90 C ATOM 204 OD1 ASN A 14 6.168 -1.678 5.081 1.00 1.71 O ATOM 205 ND2 ASN A 14 6.117 0.468 4.469 1.00 1.17 N ATOM 206 H ASN A 14 7.201 0.439 2.025 1.00 0.26 H ATOM 207 HA ASN A 14 9.366 -1.445 2.515 1.00 0.41 H ATOM 208 HB2 ASN A 14 8.693 -1.449 4.804 1.00 1.20 H ATOM 209 HB3 ASN A 14 8.609 0.220 4.253 1.00 1.08 H ATOM 210 HD21 ASN A 14 6.624 1.226 4.101 1.00 1.23 H ATOM 211 HD22 ASN A 14 5.178 0.525 4.733 1.00 1.74 H ATOM 212 N ASN A 15 6.493 -2.439 1.695 1.00 0.36 N ATOM 213 CA ASN A 15 5.632 -3.575 1.417 1.00 0.45 C ATOM 214 C ASN A 15 5.332 -3.627 -0.076 1.00 0.73 C ATOM 215 O ASN A 15 4.270 -3.205 -0.528 1.00 1.32 O ATOM 216 CB ASN A 15 4.338 -3.449 2.210 1.00 0.82 C ATOM 217 CG ASN A 15 3.393 -4.613 1.992 1.00 1.75 C ATOM 218 OD1 ASN A 15 3.814 -5.737 1.706 1.00 2.56 O ATOM 219 ND2 ASN A 15 2.104 -4.350 2.124 1.00 2.27 N ATOM 220 H ASN A 15 6.297 -1.584 1.263 1.00 0.40 H ATOM 221 HA ASN A 15 6.153 -4.472 1.712 1.00 0.71 H ATOM 222 HB2 ASN A 15 4.566 -3.383 3.264 1.00 1.47 H ATOM 223 HB3 ASN A 15 3.842 -2.548 1.899 1.00 0.82 H ATOM 224 HD21 ASN A 15 1.840 -3.433 2.352 1.00 2.25 H ATOM 225 HD22 ASN A 15 1.466 -5.081 1.994 1.00 3.00 H ATOM 241 N HIS A 17 4.232 -5.417 -2.405 1.00 1.47 N ATOM 242 CA HIS A 17 3.291 -6.339 -3.017 1.00 1.83 C ATOM 243 C HIS A 17 1.857 -5.937 -2.689 1.00 1.80 C ATOM 244 O HIS A 17 0.917 -6.701 -2.910 1.00 2.36 O ATOM 245 CB HIS A 17 3.567 -7.776 -2.566 1.00 2.49 C ATOM 246 CG HIS A 17 3.035 -8.809 -3.514 1.00 3.06 C ATOM 247 ND1 HIS A 17 2.090 -9.746 -3.163 1.00 3.61 N ATOM 248 CD2 HIS A 17 3.329 -9.043 -4.815 1.00 3.81 C ATOM 249 CE1 HIS A 17 1.829 -10.515 -4.204 1.00 4.43 C ATOM 250 NE2 HIS A 17 2.565 -10.108 -5.219 1.00 4.56 N ATOM 251 H HIS A 17 4.018 -4.999 -1.545 1.00 1.80 H ATOM 252 HA HIS A 17 3.426 -6.279 -4.087 1.00 1.98 H ATOM 253 HB2 HIS A 17 4.633 -7.921 -2.480 1.00 2.89 H ATOM 254 HB3 HIS A 17 3.107 -7.941 -1.603 1.00 2.78 H ATOM 255 HD1 HIS A 17 1.674 -9.837 -2.277 1.00 3.74 H ATOM 256 HD2 HIS A 17 4.035 -8.493 -5.422 1.00 4.12 H ATOM 257 HE1 HIS A 17 1.125 -11.335 -4.222 1.00 5.16 H ATOM 258 HE2 HIS A 17 2.691 -10.606 -6.057 1.00 5.29 H ATOM 259 N VAL A 18 1.690 -4.726 -2.174 1.00 1.42 N ATOM 260 CA VAL A 18 0.361 -4.212 -1.882 1.00 1.64 C ATOM 261 C VAL A 18 -0.143 -3.382 -3.064 1.00 1.68 C ATOM 262 O VAL A 18 -1.340 -3.345 -3.350 1.00 2.19 O ATOM 263 CB VAL A 18 0.339 -3.375 -0.576 1.00 1.79 C ATOM 264 CG1 VAL A 18 1.174 -2.109 -0.704 1.00 2.51 C ATOM 265 CG2 VAL A 18 -1.088 -3.040 -0.170 1.00 2.52 C ATOM 266 H VAL A 18 2.474 -4.164 -1.993 1.00 1.27 H ATOM 267 HA VAL A 18 -0.297 -5.061 -1.752 1.00 2.00 H ATOM 268 HB VAL A 18 0.773 -3.976 0.210 1.00 1.75 H ATOM 269 HG11 VAL A 18 1.102 -1.537 0.208 1.00 2.89 H ATOM 270 HG12 VAL A 18 0.808 -1.518 -1.530 1.00 3.06 H ATOM 271 HG13 VAL A 18 2.205 -2.374 -0.881 1.00 2.90 H ATOM 272 HG21 VAL A 18 -1.645 -3.953 -0.023 1.00 2.98 H ATOM 273 HG22 VAL A 18 -1.555 -2.456 -0.948 1.00 2.81 H ATOM 274 HG23 VAL A 18 -1.077 -2.472 0.748 1.00 3.01 H ATOM 275 N CYS A 19 0.794 -2.750 -3.763 1.00 1.57 N ATOM 276 CA CYS A 19 0.489 -1.950 -4.938 1.00 1.91 C ATOM 277 C CYS A 19 1.792 -1.505 -5.592 1.00 2.65 C ATOM 278 O CYS A 19 2.554 -0.743 -4.953 1.00 3.17 O ATOM 279 CB CYS A 19 -0.365 -0.732 -4.574 1.00 1.69 C ATOM 280 SG CYS A 19 -1.130 0.096 -6.010 1.00 1.79 S ATOM 281 OXT CYS A 19 2.064 -1.928 -6.729 1.00 3.23 O ATOM 282 H CYS A 19 1.728 -2.829 -3.479 1.00 1.62 H ATOM 283 HA CYS A 19 -0.056 -2.573 -5.634 1.00 2.34 H ATOM 284 HB2 CYS A 19 -1.160 -1.044 -3.913 1.00 1.86 H ATOM 285 HB3 CYS A 19 0.254 -0.005 -4.066 1.00 2.15 H