ATOM 46 N ASP A 3 -6.906 -2.040 1.170 1.00 1.60 N ATOM 47 CA ASP A 3 -5.506 -1.958 0.775 1.00 1.40 C ATOM 48 C ASP A 3 -5.224 -0.603 0.141 1.00 0.92 C ATOM 49 O ASP A 3 -5.244 -0.450 -1.081 1.00 1.08 O ATOM 50 CB ASP A 3 -5.144 -3.093 -0.189 1.00 2.20 C ATOM 51 CG ASP A 3 -5.349 -4.465 0.422 1.00 3.14 C ATOM 52 OD1 ASP A 3 -6.280 -5.181 -0.001 1.00 3.82 O ATOM 53 OD2 ASP A 3 -4.579 -4.842 1.336 1.00 3.65 O ATOM 54 H ASP A 3 -7.536 -2.528 0.597 1.00 1.95 H ATOM 55 HA ASP A 3 -4.908 -2.052 1.666 1.00 1.79 H ATOM 56 HB2 ASP A 3 -5.761 -3.017 -1.073 1.00 2.37 H ATOM 57 HB3 ASP A 3 -4.107 -2.997 -0.470 1.00 2.70 H ATOM 58 N GLU A 4 -4.961 0.381 0.987 1.00 0.75 N ATOM 59 CA GLU A 4 -4.808 1.758 0.540 1.00 0.68 C ATOM 60 C GLU A 4 -3.354 2.195 0.567 1.00 0.52 C ATOM 61 O GLU A 4 -3.049 3.372 0.380 1.00 0.55 O ATOM 62 CB GLU A 4 -5.646 2.687 1.413 1.00 1.18 C ATOM 63 CG GLU A 4 -7.104 2.283 1.473 1.00 1.84 C ATOM 64 CD GLU A 4 -7.921 3.165 2.381 1.00 2.45 C ATOM 65 OE1 GLU A 4 -8.768 3.925 1.870 1.00 2.93 O ATOM 66 OE2 GLU A 4 -7.724 3.100 3.611 1.00 2.94 O ATOM 67 H GLU A 4 -4.871 0.176 1.945 1.00 1.06 H ATOM 68 HA GLU A 4 -5.169 1.815 -0.474 1.00 0.78 H ATOM 69 HB2 GLU A 4 -5.247 2.678 2.417 1.00 1.66 H ATOM 70 HB3 GLU A 4 -5.586 3.688 1.016 1.00 1.67 H ATOM 71 HG2 GLU A 4 -7.520 2.337 0.478 1.00 2.32 H ATOM 72 HG3 GLU A 4 -7.167 1.266 1.832 1.00 2.31 H ATOM 73 N CYS A 5 -2.454 1.248 0.782 1.00 0.49 N ATOM 74 CA CYS A 5 -1.030 1.530 0.806 1.00 0.48 C ATOM 75 C CYS A 5 -0.539 2.079 -0.532 1.00 0.36 C ATOM 76 O CYS A 5 0.568 2.599 -0.629 1.00 0.39 O ATOM 77 CB CYS A 5 -0.273 0.266 1.174 1.00 0.63 C ATOM 78 SG CYS A 5 -0.451 -0.207 2.923 1.00 1.15 S ATOM 79 H CYS A 5 -2.750 0.330 0.945 1.00 0.58 H ATOM 80 HA CYS A 5 -0.856 2.273 1.568 1.00 0.55 H ATOM 81 HB2 CYS A 5 -0.641 -0.551 0.572 1.00 1.25 H ATOM 82 HB3 CYS A 5 0.769 0.410 0.975 1.00 1.29 H ATOM 83 N CYS A 6 -1.374 1.973 -1.551 1.00 0.32 N ATOM 84 CA CYS A 6 -1.081 2.538 -2.852 1.00 0.36 C ATOM 85 C CYS A 6 -1.053 4.064 -2.776 1.00 0.27 C ATOM 86 O CYS A 6 -0.277 4.715 -3.473 1.00 0.38 O ATOM 87 CB CYS A 6 -2.136 2.084 -3.854 1.00 0.47 C ATOM 88 SG CYS A 6 -1.957 0.363 -4.452 1.00 1.33 S ATOM 89 H CYS A 6 -2.217 1.493 -1.429 1.00 0.36 H ATOM 90 HA CYS A 6 -0.110 2.182 -3.165 1.00 0.47 H ATOM 91 HB2 CYS A 6 -3.103 2.164 -3.384 1.00 1.05 H ATOM 92 HB3 CYS A 6 -2.106 2.735 -4.710 1.00 0.98 H ATOM 93 N SER A 7 -1.882 4.623 -1.902 1.00 0.20 N ATOM 94 CA SER A 7 -1.944 6.068 -1.717 1.00 0.28 C ATOM 95 C SER A 7 -0.944 6.508 -0.653 1.00 0.27 C ATOM 96 O SER A 7 -0.974 7.641 -0.176 1.00 0.47 O ATOM 97 CB SER A 7 -3.358 6.480 -1.305 1.00 0.39 C ATOM 98 OG SER A 7 -4.317 5.995 -2.229 1.00 1.24 O ATOM 99 H SER A 7 -2.470 4.049 -1.362 1.00 0.23 H ATOM 100 HA SER A 7 -1.694 6.538 -2.655 1.00 0.36 H ATOM 101 HB2 SER A 7 -3.579 6.074 -0.329 1.00 1.18 H ATOM 102 HB3 SER A 7 -3.420 7.556 -1.270 1.00 1.00 H ATOM 103 HG SER A 7 -4.233 6.481 -3.058 1.00 1.80 H ATOM 104 N ASN A 8 -0.065 5.592 -0.282 1.00 0.16 N ATOM 105 CA ASN A 8 0.919 5.838 0.755 1.00 0.16 C ATOM 106 C ASN A 8 2.266 5.331 0.305 1.00 0.14 C ATOM 107 O ASN A 8 2.555 4.139 0.430 1.00 0.18 O ATOM 108 CB ASN A 8 0.528 5.114 2.032 1.00 0.19 C ATOM 109 CG ASN A 8 -0.779 5.612 2.607 1.00 0.27 C ATOM 110 OD1 ASN A 8 -0.802 6.513 3.443 1.00 0.43 O ATOM 111 ND2 ASN A 8 -1.878 5.045 2.143 1.00 0.32 N ATOM 112 H ASN A 8 -0.071 4.720 -0.725 1.00 0.26 H ATOM 113 HA ASN A 8 0.972 6.899 0.939 1.00 0.21 H ATOM 114 HB2 ASN A 8 0.431 4.063 1.810 1.00 0.20 H ATOM 115 HB3 ASN A 8 1.303 5.252 2.767 1.00 0.23 H ATOM 116 HD21 ASN A 8 -1.788 4.344 1.456 1.00 0.40 H ATOM 117 HD22 ASN A 8 -2.742 5.348 2.500 1.00 0.39 H ATOM 118 N PRO A 9 3.112 6.215 -0.221 1.00 0.18 N ATOM 119 CA PRO A 9 4.420 5.832 -0.740 1.00 0.22 C ATOM 120 C PRO A 9 5.278 5.100 0.287 1.00 0.22 C ATOM 121 O PRO A 9 6.220 4.410 -0.074 1.00 0.34 O ATOM 122 CB PRO A 9 5.061 7.167 -1.125 1.00 0.30 C ATOM 123 CG PRO A 9 3.917 8.085 -1.352 1.00 0.67 C ATOM 124 CD PRO A 9 2.864 7.661 -0.373 1.00 0.29 C ATOM 125 HA PRO A 9 4.314 5.209 -1.614 1.00 0.25 H ATOM 126 HB2 PRO A 9 5.683 7.512 -0.317 1.00 0.47 H ATOM 127 HB3 PRO A 9 5.653 7.044 -2.020 1.00 0.54 H ATOM 128 HG2 PRO A 9 4.219 9.105 -1.161 1.00 1.09 H ATOM 129 HG3 PRO A 9 3.552 7.982 -2.362 1.00 1.15 H ATOM 130 HD2 PRO A 9 2.991 8.178 0.567 1.00 0.38 H ATOM 131 HD3 PRO A 9 1.883 7.843 -0.774 1.00 0.41 H ATOM 132 N VAL A 10 4.945 5.228 1.562 1.00 0.18 N ATOM 133 CA VAL A 10 5.713 4.551 2.594 1.00 0.25 C ATOM 134 C VAL A 10 5.337 3.081 2.648 1.00 0.25 C ATOM 135 O VAL A 10 6.197 2.208 2.730 1.00 0.34 O ATOM 136 CB VAL A 10 5.514 5.198 3.986 1.00 0.40 C ATOM 137 CG1 VAL A 10 4.137 4.910 4.568 1.00 1.22 C ATOM 138 CG2 VAL A 10 6.607 4.755 4.946 1.00 1.26 C ATOM 139 H VAL A 10 4.163 5.776 1.809 1.00 0.16 H ATOM 140 HA VAL A 10 6.759 4.627 2.330 1.00 0.28 H ATOM 141 HB VAL A 10 5.590 6.258 3.858 1.00 0.81 H ATOM 142 HG11 VAL A 10 4.040 3.851 4.751 1.00 1.65 H ATOM 143 HG12 VAL A 10 3.379 5.223 3.869 1.00 1.91 H ATOM 144 HG13 VAL A 10 4.018 5.448 5.495 1.00 1.72 H ATOM 145 HG21 VAL A 10 6.582 3.680 5.048 1.00 1.79 H ATOM 146 HG22 VAL A 10 6.444 5.213 5.910 1.00 1.87 H ATOM 147 HG23 VAL A 10 7.569 5.058 4.562 1.00 1.78 H ATOM 148 N CYS A 11 4.051 2.816 2.553 1.00 0.25 N ATOM 149 CA CYS A 11 3.546 1.464 2.698 1.00 0.33 C ATOM 150 C CYS A 11 3.727 0.657 1.416 1.00 0.31 C ATOM 151 O CYS A 11 3.999 -0.535 1.473 1.00 0.39 O ATOM 152 CB CYS A 11 2.077 1.471 3.125 1.00 0.46 C ATOM 153 SG CYS A 11 1.451 -0.167 3.624 1.00 1.29 S ATOM 154 H CYS A 11 3.429 3.559 2.402 1.00 0.26 H ATOM 155 HA CYS A 11 4.123 0.992 3.476 1.00 0.38 H ATOM 156 HB2 CYS A 11 1.957 2.139 3.965 1.00 1.17 H ATOM 157 HB3 CYS A 11 1.471 1.820 2.302 1.00 0.89 H ATOM 158 N ARG A 12 3.590 1.292 0.254 1.00 0.31 N ATOM 159 CA ARG A 12 3.784 0.573 -0.999 1.00 0.38 C ATOM 160 C ARG A 12 5.242 0.212 -1.212 1.00 0.34 C ATOM 161 O ARG A 12 5.562 -0.747 -1.914 1.00 0.45 O ATOM 162 CB ARG A 12 3.241 1.356 -2.185 1.00 0.45 C ATOM 163 CG ARG A 12 3.669 2.791 -2.193 1.00 0.43 C ATOM 164 CD ARG A 12 3.006 3.548 -3.326 1.00 0.42 C ATOM 165 NE ARG A 12 3.208 2.874 -4.608 1.00 1.07 N ATOM 166 CZ ARG A 12 2.307 2.836 -5.587 1.00 1.32 C ATOM 167 NH1 ARG A 12 1.172 3.515 -5.484 1.00 1.25 N ATOM 168 NH2 ARG A 12 2.554 2.130 -6.682 1.00 2.15 N ATOM 169 H ARG A 12 3.344 2.245 0.237 1.00 0.32 H ATOM 170 HA ARG A 12 3.236 -0.323 -0.923 1.00 0.46 H ATOM 171 HB2 ARG A 12 3.589 0.897 -3.096 1.00 0.79 H ATOM 172 HB3 ARG A 12 2.161 1.323 -2.163 1.00 0.80 H ATOM 173 HG2 ARG A 12 3.378 3.220 -1.254 1.00 0.74 H ATOM 174 HG3 ARG A 12 4.741 2.840 -2.307 1.00 0.76 H ATOM 175 HD2 ARG A 12 1.948 3.611 -3.120 1.00 0.93 H ATOM 176 HD3 ARG A 12 3.426 4.542 -3.378 1.00 0.84 H ATOM 177 HE ARG A 12 4.061 2.395 -4.733 1.00 1.67 H ATOM 178 HH11 ARG A 12 0.983 4.071 -4.666 1.00 1.25 H ATOM 179 HH12 ARG A 12 0.493 3.478 -6.222 1.00 1.66 H ATOM 180 HH21 ARG A 12 3.419 1.629 -6.773 1.00 2.66 H ATOM 181 HH22 ARG A 12 1.875 2.086 -7.420 1.00 2.40 H ATOM 182 N VAL A 13 6.118 0.998 -0.619 1.00 0.26 N ATOM 183 CA VAL A 13 7.541 0.798 -0.740 1.00 0.30 C ATOM 184 C VAL A 13 8.102 -0.101 0.360 1.00 0.24 C ATOM 185 O VAL A 13 8.681 -1.146 0.073 1.00 0.40 O ATOM 186 CB VAL A 13 8.226 2.162 -0.756 1.00 0.41 C ATOM 187 CG1 VAL A 13 9.730 2.034 -0.656 1.00 1.45 C ATOM 188 CG2 VAL A 13 7.810 2.881 -2.023 1.00 1.52 C ATOM 189 H VAL A 13 5.797 1.743 -0.075 1.00 0.26 H ATOM 190 HA VAL A 13 7.723 0.327 -1.693 1.00 0.41 H ATOM 191 HB VAL A 13 7.874 2.735 0.088 1.00 1.12 H ATOM 192 HG11 VAL A 13 10.102 1.480 -1.502 1.00 2.05 H ATOM 193 HG12 VAL A 13 9.978 1.515 0.256 1.00 2.05 H ATOM 194 HG13 VAL A 13 10.171 3.018 -0.643 1.00 2.01 H ATOM 195 HG21 VAL A 13 8.309 2.438 -2.870 1.00 2.09 H ATOM 196 HG22 VAL A 13 8.068 3.926 -1.951 1.00 2.08 H ATOM 197 HG23 VAL A 13 6.736 2.775 -2.145 1.00 2.12 H ATOM 198 N ASN A 14 7.925 0.305 1.615 1.00 0.21 N ATOM 199 CA ASN A 14 8.479 -0.440 2.745 1.00 0.33 C ATOM 200 C ASN A 14 7.827 -1.815 2.853 1.00 0.35 C ATOM 201 O ASN A 14 8.504 -2.822 3.055 1.00 0.49 O ATOM 202 CB ASN A 14 8.303 0.350 4.047 1.00 0.52 C ATOM 203 CG ASN A 14 8.814 -0.400 5.262 1.00 0.90 C ATOM 204 OD1 ASN A 14 10.004 -0.363 5.578 1.00 1.71 O ATOM 205 ND2 ASN A 14 7.911 -1.052 5.972 1.00 1.17 N ATOM 206 H ASN A 14 7.404 1.119 1.789 1.00 0.26 H ATOM 207 HA ASN A 14 9.534 -0.576 2.560 1.00 0.41 H ATOM 208 HB2 ASN A 14 8.843 1.281 3.970 1.00 1.20 H ATOM 209 HB3 ASN A 14 7.253 0.559 4.192 1.00 1.08 H ATOM 210 HD21 ASN A 14 6.973 -1.011 5.680 1.00 1.23 H ATOM 211 HD22 ASN A 14 8.213 -1.548 6.762 1.00 1.74 H ATOM 212 N ASN A 15 6.512 -1.849 2.711 1.00 0.36 N ATOM 213 CA ASN A 15 5.779 -3.091 2.629 1.00 0.45 C ATOM 214 C ASN A 15 5.715 -3.531 1.175 1.00 0.73 C ATOM 215 O ASN A 15 5.874 -2.722 0.262 1.00 1.32 O ATOM 216 CB ASN A 15 4.363 -2.905 3.192 1.00 0.82 C ATOM 217 CG ASN A 15 4.123 -3.676 4.476 1.00 1.75 C ATOM 218 OD1 ASN A 15 4.495 -3.232 5.561 1.00 2.56 O ATOM 219 ND2 ASN A 15 3.452 -4.817 4.368 1.00 2.27 N ATOM 220 H ASN A 15 6.017 -1.013 2.646 1.00 0.40 H ATOM 221 HA ASN A 15 6.303 -3.846 3.204 1.00 0.71 H ATOM 222 HB2 ASN A 15 4.198 -1.856 3.391 1.00 1.47 H ATOM 223 HB3 ASN A 15 3.650 -3.242 2.455 1.00 0.82 H ATOM 224 HD21 ASN A 15 3.146 -5.097 3.475 1.00 2.25 H ATOM 225 HD22 ASN A 15 3.288 -5.336 5.187 1.00 3.00 H ATOM 241 N HIS A 17 3.970 -3.698 -1.283 1.00 1.47 N ATOM 242 CA HIS A 17 2.833 -3.094 -1.982 1.00 1.83 C ATOM 243 C HIS A 17 1.562 -3.104 -1.139 1.00 1.80 C ATOM 244 O HIS A 17 0.893 -2.076 -1.020 1.00 2.36 O ATOM 245 CB HIS A 17 2.565 -3.764 -3.336 1.00 2.49 C ATOM 246 CG HIS A 17 3.560 -3.410 -4.397 1.00 3.06 C ATOM 247 ND1 HIS A 17 4.599 -4.235 -4.764 1.00 3.61 N ATOM 248 CD2 HIS A 17 3.656 -2.315 -5.186 1.00 3.81 C ATOM 249 CE1 HIS A 17 5.289 -3.665 -5.732 1.00 4.43 C ATOM 250 NE2 HIS A 17 4.739 -2.499 -6.008 1.00 4.56 N ATOM 251 H HIS A 17 4.658 -3.101 -0.903 1.00 1.80 H ATOM 252 HA HIS A 17 3.095 -2.062 -2.167 1.00 1.98 H ATOM 253 HB2 HIS A 17 2.590 -4.835 -3.207 1.00 2.89 H ATOM 254 HB3 HIS A 17 1.586 -3.472 -3.687 1.00 2.78 H ATOM 255 HD1 HIS A 17 4.808 -5.112 -4.367 1.00 3.74 H ATOM 256 HD2 HIS A 17 3.001 -1.455 -5.171 1.00 4.12 H ATOM 257 HE1 HIS A 17 6.160 -4.082 -6.218 1.00 5.16 H ATOM 258 HE2 HIS A 17 4.948 -1.954 -6.798 1.00 5.29 H ATOM 259 N VAL A 18 1.245 -4.259 -0.547 1.00 1.42 N ATOM 260 CA VAL A 18 0.000 -4.459 0.200 1.00 1.64 C ATOM 261 C VAL A 18 -1.211 -4.494 -0.739 1.00 1.68 C ATOM 262 O VAL A 18 -2.005 -5.434 -0.701 1.00 2.19 O ATOM 263 CB VAL A 18 -0.193 -3.384 1.291 1.00 1.79 C ATOM 264 CG1 VAL A 18 -1.583 -3.462 1.904 1.00 2.51 C ATOM 265 CG2 VAL A 18 0.867 -3.533 2.368 1.00 2.52 C ATOM 266 H VAL A 18 1.879 -5.007 -0.605 1.00 1.27 H ATOM 267 HA VAL A 18 0.072 -5.419 0.690 1.00 2.00 H ATOM 268 HB VAL A 18 -0.072 -2.416 0.835 1.00 1.75 H ATOM 269 HG11 VAL A 18 -2.326 -3.348 1.127 1.00 2.89 H ATOM 270 HG12 VAL A 18 -1.699 -2.675 2.632 1.00 3.06 H ATOM 271 HG13 VAL A 18 -1.711 -4.421 2.386 1.00 2.90 H ATOM 272 HG21 VAL A 18 0.739 -4.479 2.872 1.00 2.98 H ATOM 273 HG22 VAL A 18 0.771 -2.729 3.081 1.00 2.81 H ATOM 274 HG23 VAL A 18 1.844 -3.496 1.914 1.00 3.01 H ATOM 275 N CYS A 19 -1.340 -3.478 -1.581 1.00 1.57 N ATOM 276 CA CYS A 19 -2.405 -3.426 -2.570 1.00 1.91 C ATOM 277 C CYS A 19 -1.927 -4.013 -3.896 1.00 2.65 C ATOM 278 O CYS A 19 -1.517 -3.240 -4.788 1.00 3.17 O ATOM 279 CB CYS A 19 -2.887 -1.983 -2.754 1.00 1.69 C ATOM 280 SG CYS A 19 -1.548 -0.741 -2.798 1.00 1.79 S ATOM 281 OXT CYS A 19 -1.937 -5.255 -4.033 1.00 3.23 O ATOM 282 H CYS A 19 -0.692 -2.741 -1.541 1.00 1.62 H ATOM 283 HA CYS A 19 -3.223 -4.026 -2.202 1.00 2.34 H ATOM 284 HB2 CYS A 19 -3.428 -1.910 -3.685 1.00 1.86 H ATOM 285 HB3 CYS A 19 -3.548 -1.724 -1.940 1.00 2.15 H