ATOM 46 N ASP A 3 -6.599 -0.634 1.581 1.00 1.60 N ATOM 47 CA ASP A 3 -6.325 -0.348 0.175 1.00 1.40 C ATOM 48 C ASP A 3 -5.833 1.077 0.012 1.00 0.92 C ATOM 49 O ASP A 3 -5.281 1.465 -1.017 1.00 1.08 O ATOM 50 CB ASP A 3 -7.589 -0.579 -0.657 1.00 2.20 C ATOM 51 CG ASP A 3 -7.353 -0.449 -2.147 1.00 3.14 C ATOM 52 OD1 ASP A 3 -7.662 0.623 -2.708 1.00 3.82 O ATOM 53 OD2 ASP A 3 -6.835 -1.408 -2.764 1.00 3.65 O ATOM 54 H ASP A 3 -7.533 -0.695 1.880 1.00 1.95 H ATOM 55 HA ASP A 3 -5.554 -1.012 -0.148 1.00 1.79 H ATOM 56 HB2 ASP A 3 -7.963 -1.571 -0.458 1.00 2.37 H ATOM 57 HB3 ASP A 3 -8.336 0.145 -0.366 1.00 2.70 H ATOM 58 N GLU A 4 -6.020 1.832 1.067 1.00 0.75 N ATOM 59 CA GLU A 4 -5.627 3.231 1.120 1.00 0.68 C ATOM 60 C GLU A 4 -4.110 3.375 1.057 1.00 0.52 C ATOM 61 O GLU A 4 -3.591 4.363 0.535 1.00 0.55 O ATOM 62 CB GLU A 4 -6.155 3.872 2.405 1.00 1.18 C ATOM 63 CG GLU A 4 -5.689 3.161 3.668 1.00 1.84 C ATOM 64 CD GLU A 4 -6.245 3.780 4.928 1.00 2.45 C ATOM 65 OE1 GLU A 4 -5.656 4.757 5.421 1.00 2.93 O ATOM 66 OE2 GLU A 4 -7.283 3.298 5.426 1.00 2.94 O ATOM 67 H GLU A 4 -6.447 1.424 1.847 1.00 1.06 H ATOM 68 HA GLU A 4 -6.064 3.732 0.272 1.00 0.78 H ATOM 69 HB2 GLU A 4 -5.816 4.896 2.449 1.00 1.66 H ATOM 70 HB3 GLU A 4 -7.234 3.858 2.387 1.00 1.67 H ATOM 71 HG2 GLU A 4 -6.008 2.131 3.622 1.00 2.32 H ATOM 72 HG3 GLU A 4 -4.610 3.200 3.710 1.00 2.31 H ATOM 73 N CYS A 5 -3.403 2.371 1.565 1.00 0.49 N ATOM 74 CA CYS A 5 -1.957 2.435 1.690 1.00 0.48 C ATOM 75 C CYS A 5 -1.278 2.479 0.322 1.00 0.36 C ATOM 76 O CYS A 5 -0.117 2.861 0.211 1.00 0.39 O ATOM 77 CB CYS A 5 -1.452 1.244 2.507 1.00 0.63 C ATOM 78 SG CYS A 5 -0.592 -0.036 1.539 1.00 1.15 S ATOM 79 H CYS A 5 -3.868 1.561 1.863 1.00 0.58 H ATOM 80 HA CYS A 5 -1.716 3.343 2.221 1.00 0.55 H ATOM 81 HB2 CYS A 5 -0.767 1.600 3.255 1.00 1.25 H ATOM 82 HB3 CYS A 5 -2.294 0.775 2.994 1.00 1.29 H ATOM 83 N CYS A 6 -2.011 2.104 -0.717 1.00 0.32 N ATOM 84 CA CYS A 6 -1.505 2.148 -2.077 1.00 0.36 C ATOM 85 C CYS A 6 -1.135 3.569 -2.487 1.00 0.27 C ATOM 86 O CYS A 6 -0.168 3.780 -3.209 1.00 0.38 O ATOM 87 CB CYS A 6 -2.570 1.608 -3.019 1.00 0.47 C ATOM 88 SG CYS A 6 -3.051 -0.119 -2.697 1.00 1.33 S ATOM 89 H CYS A 6 -2.922 1.778 -0.568 1.00 0.36 H ATOM 90 HA CYS A 6 -0.625 1.523 -2.133 1.00 0.47 H ATOM 91 HB2 CYS A 6 -3.454 2.219 -2.919 1.00 1.05 H ATOM 92 HB3 CYS A 6 -2.207 1.667 -4.028 1.00 0.98 H ATOM 93 N SER A 7 -1.899 4.544 -2.011 1.00 0.20 N ATOM 94 CA SER A 7 -1.654 5.938 -2.352 1.00 0.28 C ATOM 95 C SER A 7 -0.577 6.511 -1.436 1.00 0.27 C ATOM 96 O SER A 7 -0.104 7.633 -1.622 1.00 0.47 O ATOM 97 CB SER A 7 -2.951 6.747 -2.232 1.00 0.39 C ATOM 98 OG SER A 7 -2.798 8.052 -2.764 1.00 1.24 O ATOM 99 H SER A 7 -2.643 4.320 -1.411 1.00 0.23 H ATOM 100 HA SER A 7 -1.304 5.976 -3.373 1.00 0.36 H ATOM 101 HB2 SER A 7 -3.736 6.243 -2.775 1.00 1.18 H ATOM 102 HB3 SER A 7 -3.228 6.824 -1.190 1.00 1.00 H ATOM 103 HG SER A 7 -2.600 7.991 -3.708 1.00 1.80 H ATOM 104 N ASN A 8 -0.187 5.710 -0.461 1.00 0.16 N ATOM 105 CA ASN A 8 0.820 6.092 0.512 1.00 0.16 C ATOM 106 C ASN A 8 2.151 5.489 0.128 1.00 0.14 C ATOM 107 O ASN A 8 2.352 4.281 0.275 1.00 0.18 O ATOM 108 CB ASN A 8 0.440 5.579 1.893 1.00 0.19 C ATOM 109 CG ASN A 8 -0.765 6.287 2.480 1.00 0.27 C ATOM 110 OD1 ASN A 8 -0.627 7.249 3.234 1.00 0.43 O ATOM 111 ND2 ASN A 8 -1.955 5.838 2.120 1.00 0.32 N ATOM 112 H ASN A 8 -0.574 4.811 -0.409 1.00 0.26 H ATOM 113 HA ASN A 8 0.895 7.167 0.530 1.00 0.21 H ATOM 114 HB2 ASN A 8 0.221 4.527 1.810 1.00 0.20 H ATOM 115 HB3 ASN A 8 1.279 5.713 2.562 1.00 0.23 H ATOM 116 HD21 ASN A 8 -2.002 5.082 1.492 1.00 0.40 H ATOM 117 HD22 ASN A 8 -2.747 6.272 2.503 1.00 0.39 H ATOM 118 N PRO A 9 3.089 6.299 -0.355 1.00 0.18 N ATOM 119 CA PRO A 9 4.379 5.797 -0.798 1.00 0.22 C ATOM 120 C PRO A 9 5.155 5.106 0.316 1.00 0.22 C ATOM 121 O PRO A 9 6.055 4.321 0.045 1.00 0.34 O ATOM 122 CB PRO A 9 5.113 7.051 -1.286 1.00 0.30 C ATOM 123 CG PRO A 9 4.409 8.188 -0.636 1.00 0.67 C ATOM 124 CD PRO A 9 2.978 7.758 -0.522 1.00 0.29 C ATOM 125 HA PRO A 9 4.255 5.105 -1.614 1.00 0.25 H ATOM 126 HB2 PRO A 9 6.150 7.005 -0.989 1.00 0.47 H ATOM 127 HB3 PRO A 9 5.039 7.112 -2.357 1.00 0.54 H ATOM 128 HG2 PRO A 9 4.827 8.370 0.343 1.00 1.09 H ATOM 129 HG3 PRO A 9 4.488 9.072 -1.252 1.00 1.15 H ATOM 130 HD2 PRO A 9 2.520 8.213 0.334 1.00 0.38 H ATOM 131 HD3 PRO A 9 2.436 8.003 -1.420 1.00 0.41 H ATOM 132 N VAL A 10 4.775 5.366 1.563 1.00 0.18 N ATOM 133 CA VAL A 10 5.465 4.782 2.707 1.00 0.25 C ATOM 134 C VAL A 10 5.077 3.318 2.863 1.00 0.25 C ATOM 135 O VAL A 10 5.869 2.482 3.301 1.00 0.34 O ATOM 136 CB VAL A 10 5.152 5.553 4.009 1.00 0.40 C ATOM 137 CG1 VAL A 10 3.800 5.166 4.592 1.00 1.22 C ATOM 138 CG2 VAL A 10 6.263 5.365 5.030 1.00 1.26 C ATOM 139 H VAL A 10 4.003 5.960 1.716 1.00 0.16 H ATOM 140 HA VAL A 10 6.529 4.843 2.520 1.00 0.28 H ATOM 141 HB VAL A 10 5.102 6.592 3.757 1.00 0.81 H ATOM 142 HG11 VAL A 10 3.795 4.110 4.818 1.00 1.65 H ATOM 143 HG12 VAL A 10 3.024 5.382 3.875 1.00 1.91 H ATOM 144 HG13 VAL A 10 3.622 5.728 5.495 1.00 1.72 H ATOM 145 HG21 VAL A 10 6.024 5.916 5.927 1.00 1.79 H ATOM 146 HG22 VAL A 10 7.193 5.729 4.621 1.00 1.87 H ATOM 147 HG23 VAL A 10 6.359 4.315 5.269 1.00 1.78 H ATOM 148 N CYS A 11 3.855 3.010 2.484 1.00 0.25 N ATOM 149 CA CYS A 11 3.385 1.639 2.536 1.00 0.33 C ATOM 150 C CYS A 11 4.036 0.820 1.433 1.00 0.31 C ATOM 151 O CYS A 11 4.588 -0.246 1.686 1.00 0.39 O ATOM 152 CB CYS A 11 1.861 1.554 2.414 1.00 0.46 C ATOM 153 SG CYS A 11 1.221 -0.158 2.443 1.00 1.29 S ATOM 154 H CYS A 11 3.256 3.727 2.179 1.00 0.26 H ATOM 155 HA CYS A 11 3.681 1.228 3.488 1.00 0.38 H ATOM 156 HB2 CYS A 11 1.410 2.092 3.235 1.00 1.17 H ATOM 157 HB3 CYS A 11 1.554 2.006 1.482 1.00 0.89 H ATOM 158 N ARG A 12 4.013 1.338 0.213 1.00 0.31 N ATOM 159 CA ARG A 12 4.475 0.567 -0.931 1.00 0.38 C ATOM 160 C ARG A 12 5.992 0.489 -1.031 1.00 0.34 C ATOM 161 O ARG A 12 6.528 -0.375 -1.723 1.00 0.45 O ATOM 162 CB ARG A 12 3.850 1.067 -2.233 1.00 0.45 C ATOM 163 CG ARG A 12 3.729 2.565 -2.300 1.00 0.43 C ATOM 164 CD ARG A 12 2.941 3.007 -3.519 1.00 0.42 C ATOM 165 NE ARG A 12 3.092 4.436 -3.786 1.00 1.07 N ATOM 166 CZ ARG A 12 2.387 5.104 -4.698 1.00 1.32 C ATOM 167 NH1 ARG A 12 1.461 4.483 -5.413 1.00 1.25 N ATOM 168 NH2 ARG A 12 2.610 6.395 -4.893 1.00 2.15 N ATOM 169 H ARG A 12 3.670 2.248 0.079 1.00 0.32 H ATOM 170 HA ARG A 12 4.129 -0.412 -0.761 1.00 0.46 H ATOM 171 HB2 ARG A 12 4.461 0.743 -3.059 1.00 0.79 H ATOM 172 HB3 ARG A 12 2.864 0.641 -2.334 1.00 0.80 H ATOM 173 HG2 ARG A 12 3.212 2.893 -1.416 1.00 0.74 H ATOM 174 HG3 ARG A 12 4.714 2.999 -2.333 1.00 0.76 H ATOM 175 HD2 ARG A 12 3.283 2.449 -4.378 1.00 0.93 H ATOM 176 HD3 ARG A 12 1.897 2.792 -3.340 1.00 0.84 H ATOM 177 HE ARG A 12 3.771 4.919 -3.268 1.00 1.67 H ATOM 178 HH11 ARG A 12 1.285 3.506 -5.268 1.00 1.25 H ATOM 179 HH12 ARG A 12 0.935 4.984 -6.105 1.00 1.66 H ATOM 180 HH21 ARG A 12 3.312 6.873 -4.358 1.00 2.66 H ATOM 181 HH22 ARG A 12 2.073 6.903 -5.570 1.00 2.40 H ATOM 182 N VAL A 13 6.681 1.375 -0.346 1.00 0.26 N ATOM 183 CA VAL A 13 8.125 1.338 -0.308 1.00 0.30 C ATOM 184 C VAL A 13 8.621 0.205 0.602 1.00 0.24 C ATOM 185 O VAL A 13 9.665 -0.393 0.343 1.00 0.40 O ATOM 186 CB VAL A 13 8.666 2.686 0.190 1.00 0.41 C ATOM 187 CG1 VAL A 13 8.180 2.938 1.596 1.00 1.45 C ATOM 188 CG2 VAL A 13 10.175 2.733 0.127 1.00 1.52 C ATOM 189 H VAL A 13 6.215 2.085 0.135 1.00 0.26 H ATOM 190 HA VAL A 13 8.486 1.173 -1.311 1.00 0.41 H ATOM 191 HB VAL A 13 8.274 3.466 -0.447 1.00 1.12 H ATOM 192 HG11 VAL A 13 8.359 3.967 1.866 1.00 2.05 H ATOM 193 HG12 VAL A 13 8.703 2.286 2.278 1.00 2.05 H ATOM 194 HG13 VAL A 13 7.114 2.724 1.639 1.00 2.01 H ATOM 195 HG21 VAL A 13 10.517 3.673 0.531 1.00 2.09 H ATOM 196 HG22 VAL A 13 10.493 2.640 -0.898 1.00 2.08 H ATOM 197 HG23 VAL A 13 10.580 1.921 0.708 1.00 2.12 H ATOM 198 N ASN A 14 7.868 -0.100 1.662 1.00 0.21 N ATOM 199 CA ASN A 14 8.308 -1.114 2.619 1.00 0.33 C ATOM 200 C ASN A 14 7.570 -2.440 2.423 1.00 0.35 C ATOM 201 O ASN A 14 8.170 -3.508 2.527 1.00 0.49 O ATOM 202 CB ASN A 14 8.148 -0.616 4.067 1.00 0.52 C ATOM 203 CG ASN A 14 6.772 -0.873 4.663 1.00 0.90 C ATOM 204 OD1 ASN A 14 6.533 -1.915 5.273 1.00 1.71 O ATOM 205 ND2 ASN A 14 5.863 0.074 4.512 1.00 1.17 N ATOM 206 H ASN A 14 7.018 0.374 1.809 1.00 0.26 H ATOM 207 HA ASN A 14 9.358 -1.287 2.436 1.00 0.41 H ATOM 208 HB2 ASN A 14 8.877 -1.111 4.687 1.00 1.20 H ATOM 209 HB3 ASN A 14 8.333 0.449 4.089 1.00 1.08 H ATOM 210 HD21 ASN A 14 6.115 0.893 4.026 1.00 1.23 H ATOM 211 HD22 ASN A 14 4.969 -0.076 4.891 1.00 1.74 H ATOM 212 N ASN A 15 6.277 -2.373 2.132 1.00 0.36 N ATOM 213 CA ASN A 15 5.463 -3.565 1.987 1.00 0.45 C ATOM 214 C ASN A 15 5.830 -4.332 0.722 1.00 0.73 C ATOM 215 O ASN A 15 6.183 -3.753 -0.310 1.00 1.32 O ATOM 216 CB ASN A 15 3.971 -3.197 1.990 1.00 0.82 C ATOM 217 CG ASN A 15 3.264 -3.559 0.695 1.00 1.75 C ATOM 218 OD1 ASN A 15 2.850 -4.693 0.503 1.00 2.56 O ATOM 219 ND2 ASN A 15 3.106 -2.596 -0.191 1.00 2.27 N ATOM 220 H ASN A 15 5.853 -1.502 2.015 1.00 0.40 H ATOM 221 HA ASN A 15 5.663 -4.213 2.839 1.00 0.71 H ATOM 222 HB2 ASN A 15 3.483 -3.717 2.799 1.00 1.47 H ATOM 223 HB3 ASN A 15 3.874 -2.131 2.146 1.00 0.82 H ATOM 224 HD21 ASN A 15 3.444 -1.712 0.032 1.00 2.25 H ATOM 225 HD22 ASN A 15 2.661 -2.813 -1.039 1.00 3.00 H ATOM 241 N HIS A 17 3.979 -7.151 -1.298 1.00 1.47 N ATOM 242 CA HIS A 17 2.964 -7.156 -2.346 1.00 1.83 C ATOM 243 C HIS A 17 1.566 -7.220 -1.744 1.00 1.80 C ATOM 244 O HIS A 17 0.738 -8.035 -2.154 1.00 2.36 O ATOM 245 CB HIS A 17 3.167 -8.333 -3.313 1.00 2.49 C ATOM 246 CG HIS A 17 4.313 -8.157 -4.262 1.00 3.06 C ATOM 247 ND1 HIS A 17 4.221 -7.424 -5.424 1.00 3.61 N ATOM 248 CD2 HIS A 17 5.585 -8.619 -4.214 1.00 3.81 C ATOM 249 CE1 HIS A 17 5.384 -7.443 -6.048 1.00 4.43 C ATOM 250 NE2 HIS A 17 6.230 -8.162 -5.336 1.00 4.56 N ATOM 251 H HIS A 17 3.811 -7.641 -0.466 1.00 1.80 H ATOM 252 HA HIS A 17 3.059 -6.233 -2.898 1.00 1.98 H ATOM 253 HB2 HIS A 17 3.348 -9.231 -2.741 1.00 2.89 H ATOM 254 HB3 HIS A 17 2.267 -8.464 -3.898 1.00 2.78 H ATOM 255 HD1 HIS A 17 3.417 -6.959 -5.748 1.00 3.74 H ATOM 256 HD2 HIS A 17 6.013 -9.235 -3.436 1.00 4.12 H ATOM 257 HE1 HIS A 17 5.605 -6.955 -6.985 1.00 5.16 H ATOM 258 HE2 HIS A 17 7.095 -8.497 -5.666 1.00 5.29 H ATOM 259 N VAL A 18 1.307 -6.366 -0.764 1.00 1.42 N ATOM 260 CA VAL A 18 -0.018 -6.291 -0.159 1.00 1.64 C ATOM 261 C VAL A 18 -0.962 -5.535 -1.085 1.00 1.68 C ATOM 262 O VAL A 18 -2.110 -5.932 -1.284 1.00 2.19 O ATOM 263 CB VAL A 18 0.012 -5.610 1.231 1.00 1.79 C ATOM 264 CG1 VAL A 18 -1.389 -5.497 1.814 1.00 2.51 C ATOM 265 CG2 VAL A 18 0.917 -6.380 2.180 1.00 2.52 C ATOM 266 H VAL A 18 2.026 -5.764 -0.440 1.00 1.27 H ATOM 267 HA VAL A 18 -0.384 -7.301 -0.038 1.00 2.00 H ATOM 268 HB VAL A 18 0.413 -4.615 1.114 1.00 1.75 H ATOM 269 HG11 VAL A 18 -1.336 -5.028 2.785 1.00 2.89 H ATOM 270 HG12 VAL A 18 -1.819 -6.482 1.912 1.00 3.06 H ATOM 271 HG13 VAL A 18 -2.004 -4.898 1.158 1.00 2.90 H ATOM 272 HG21 VAL A 18 1.925 -6.380 1.796 1.00 2.98 H ATOM 273 HG22 VAL A 18 0.566 -7.395 2.268 1.00 2.81 H ATOM 274 HG23 VAL A 18 0.903 -5.909 3.151 1.00 3.01 H ATOM 275 N CYS A 19 -0.456 -4.464 -1.676 1.00 1.57 N ATOM 276 CA CYS A 19 -1.222 -3.698 -2.643 1.00 1.91 C ATOM 277 C CYS A 19 -0.973 -4.245 -4.044 1.00 2.65 C ATOM 278 O CYS A 19 -1.843 -4.979 -4.558 1.00 3.17 O ATOM 279 CB CYS A 19 -0.858 -2.212 -2.579 1.00 1.69 C ATOM 280 SG CYS A 19 -1.733 -1.188 -3.807 1.00 1.79 S ATOM 281 OXT CYS A 19 0.111 -3.972 -4.613 1.00 3.23 O ATOM 282 H CYS A 19 0.460 -4.189 -1.467 1.00 1.62 H ATOM 283 HA CYS A 19 -2.268 -3.816 -2.405 1.00 2.34 H ATOM 284 HB2 CYS A 19 -1.102 -1.828 -1.598 1.00 1.86 H ATOM 285 HB3 CYS A 19 0.203 -2.098 -2.752 1.00 2.15 H