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*** HYDROLASE 05-JAN-98 1JSF ***elNémo ID: 2503181117093228490Job options:ID = 2503181117093228490 JOBID = HYDROLASE 05-JAN-98 1JSF USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER HYDROLASE 05-JAN-98 1JSF REMARK 4 1JSF COMPLIES WITH FORMAT V. 3.30, REMARK 888 REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) TITLE FULL-MATRIX LEAST-SQUARES REFINEMENT OF HUMAN LYSOZYME EXPDTA X-RAY DIFFRACTION REMARK 2 RESOLUTION. 1.15 ANGSTROMS REMARK 3 R VALUE : 0.112000 REMARK 3 FREE R VALUE : 0.157000 REMARK 200 TEMPERATURE (KELVIN) : 285.00 REMARK 200 PH : 4.50 REMARK 350 BIOMOLECULE: 1 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 CRYST1 57.050 60.960 32.960 90.00 90.00 90.00 P 21 21 21 4 MODEL 1 ATOM 1 N LYS A 1 1.192 19.713 22.061 1.00 17.06 N1+ ATOM 2 CA LYS A 1 1.945 20.614 21.171 1.00 18.25 C ATOM 3 C LYS A 1 3.147 19.881 20.573 1.00 16.14 C ATOM 4 O LYS A 1 3.919 19.273 21.313 1.00 16.16 O ATOM 5 CB LYS A 1 2.396 21.867 21.956 1.00 24.42 C ATOM 6 CG LYS A 1 3.284 22.858 21.182 1.00 26.69 C ATOM 7 CD LYS A 1 3.600 24.113 22.004 1.00 23.93 C ATOM 8 CE LYS A 1 4.495 25.086 21.231 1.00 26.10 C ATOM 9 NZ LYS A 1 4.811 26.280 22.029 1.00 38.54 N1+ ATOM 10 H1 LYS A 1 0.472 20.233 22.552 1.00 0.00 H ATOM 11 H2 LYS A 1 0.778 18.964 21.527 1.00 0.00 H ATOM 12 H3 LYS A 1 1.829 19.325 22.747 1.00 0.00 H ATOM 13 HA LYS A 1 1.274 20.921 20.368 1.00 0.00 H ATOM 14 HB3 LYS A 1 2.915 21.565 22.867 1.00 0.00 H ATOM 15 HB2 LYS A 1 1.505 22.404 22.275 1.00 0.00 H ATOM 16 HG3 LYS A 1 2.791 23.142 20.252 1.00 0.00 H ATOM 17 HG2 LYS A 1 4.226 22.385 20.904 1.00 0.00 H ATOM 18 HD3 LYS A 1 4.089 23.823 22.935 1.00 0.00 H ATOM 19 HD2 LYS A 1 2.670 24.611 22.283 1.00 0.00 H ATOM 20 HE3 LYS A 1 4.005 25.403 20.310 1.00 0.00 H ATOM 21 HE2 LYS A 1 5.428 24.602 20.941 1.00 0.00 H ATOM 22 HZ1 LYS A 1 5.371 26.897 21.447 1.00 0.00 H ATOM 23 HZ2 LYS A 1 3.960 26.752 22.296 1.00 0.00 H ATOM 24 HZ3 LYS A 1 5.336 26.016 22.850 1.00 0.00 H ATOM 25 N VAL A 2 3.340 20.014 19.252 1.00 15.22 N ATOM 26 CA VAL A 2 4.591 19.694 18.569 1.00 14.66 C ATOM 27 C VAL A 2 5.300 21.039 18.365 1.00 14.54 C ATOM 28 O VAL A 2 4.793 21.910 17.656 1.00 17.31 O ATOM 29 CB VAL A 2 4.304 19.011 17.204 1.00 18.09 C ATOM 30 CG1 VAL A 2 5.603 18.673 16.441 1.00 20.30 C ATOM 31 CG2 VAL A 2 3.471 17.728 17.375 1.00 21.91 C ATOM 32 H VAL A 2 2.658 20.531 18.716 1.00 0.00 H ATOM 33 HA VAL A 2 5.217 19.034 19.168 1.00 0.00 H ATOM 34 HB VAL A 2 3.721 19.691 16.580 1.00 0.00 H ATOM 35 HG11 VAL A 2 5.387 18.153 15.507 1.00 0.00 H ATOM 36 HG12 VAL A 2 6.170 19.567 16.181 1.00 0.00 H ATOM 37 HG13 VAL A 2 6.254 18.030 17.034 1.00 0.00 H ATOM 38 HG21 VAL A 2 3.280 17.250 16.414 1.00 0.00 H ATOM 39 HG22 VAL A 2 3.991 17.006 18.004 1.00 0.00 H ATOM 40 HG23 VAL A 2 2.501 17.927 17.830 1.00 0.00 H ATOM 41 N PHE A 3 6.472 21.197 18.995 1.00 13.22 N ATOM 42 CA PHE A 3 7.315 22.380 18.855 1.00 12.29 C ATOM 43 C PHE A 3 8.095 22.308 17.536 1.00 13.94 C ATOM 44 O PHE A 3 8.519 21.235 17.103 1.00 16.04 O ATOM 45 CB PHE A 3 8.368 22.416 19.982 1.00 13.14 C ATOM 46 CG PHE A 3 7.910 22.937 21.327 1.00 12.43 C ATOM 47 CD1 PHE A 3 7.158 22.120 22.195 1.00 14.74 C ATOM 48 CD2 PHE A 3 8.284 24.235 21.735 1.00 14.77 C ATOM 49 CE1 PHE A 3 6.786 22.604 23.464 1.00 16.85 C ATOM 50 CE2 PHE A 3 7.915 24.713 23.006 1.00 16.48 C ATOM 51 CZ PHE A 3 7.166 23.896 23.872 1.00 16.12 C ATOM 52 H PHE A 3 6.827 20.435 19.557 1.00 0.00 H ATOM 53 HA PHE A 3 6.709 23.287 18.880 1.00 0.00 H ATOM 54 HB3 PHE A 3 9.194 23.054 19.673 1.00 0.00 H ATOM 55 HB2 PHE A 3 8.801 21.432 20.139 1.00 0.00 H ATOM 56 HD1 PHE A 3 6.871 21.122 21.896 1.00 0.00 H ATOM 57 HD2 PHE A 3 8.866 24.863 21.078 1.00 0.00 H ATOM 58 HE1 PHE A 3 6.209 21.986 24.131 1.00 0.00 H ATOM 59 HE2 PHE A 3 8.211 25.705 23.314 1.00 0.00 H ATOM 60 HZ PHE A 3 6.881 24.258 24.850 1.00 0.00 H ATOM 61 N GLU A 4 8.361 23.490 16.965 1.00 14.86 N ATOM 62 CA GLU A 4 9.380 23.696 15.942 1.00 16.55 C ATOM 63 C GLU A 4 10.756 23.702 16.637 1.00 14.12 C ATOM 64 O GLU A 4 10.858 24.061 17.811 1.00 14.27 O ATOM 65 CB GLU A 4 9.120 25.055 15.262 1.00 21.19 C ATOM 66 CG GLU A 4 7.793 25.069 14.474 1.00 34.01 C ATOM 67 CD GLU A 4 7.491 26.435 13.861 1.00 39.62 C ATOM 68 OE1 GLU A 4 8.289 26.862 12.998 1.00 49.70 O ATOM 69 OE2 GLU A 4 6.464 27.026 14.261 1.00 48.74 O1- ATOM 70 H GLU A 4 7.960 24.320 17.385 1.00 0.00 H ATOM 71 HA GLU A 4 9.343 22.895 15.200 1.00 0.00 H ATOM 72 HB3 GLU A 4 9.940 25.285 14.581 1.00 0.00 H ATOM 73 HB2 GLU A 4 9.111 25.851 16.008 1.00 0.00 H ATOM 74 HG3 GLU A 4 6.960 24.791 15.120 1.00 0.00 H ATOM 75 HG2 GLU A 4 7.825 24.329 13.674 1.00 0.00 H ATOM 76 N ARG A 5 11.806 23.262 15.924 1.00 13.42 N ATOM 77 CA ARG A 5 13.169 23.056 16.429 1.00 13.70 C ATOM 78 C ARG A 5 13.741 24.248 17.219 1.00 11.54 C ATOM 79 O ARG A 5 14.134 24.095 18.374 1.00 12.11 O ATOM 80 CB ARG A 5 14.076 22.624 15.258 1.00 14.12 C ATOM 81 CG ARG A 5 15.553 22.376 15.627 1.00 16.72 C ATOM 82 CD ARG A 5 16.395 21.918 14.430 1.00 19.34 C ATOM 83 NE ARG A 5 16.574 23.004 13.453 1.00 20.28 N ATOM 84 CZ ARG A 5 17.556 23.922 13.456 1.00 21.61 C ATOM 85 NH1 ARG A 5 18.502 23.935 14.403 1.00 24.48 N ATOM 86 NH2 ARG A 5 17.591 24.855 12.498 1.00 23.88 N1+ ATOM 87 H ARG A 5 11.631 22.981 14.970 1.00 0.00 H ATOM 88 HA ARG A 5 13.112 22.217 17.126 1.00 0.00 H ATOM 89 HB3 ARG A 5 14.027 23.382 14.475 1.00 0.00 H ATOM 90 HB2 ARG A 5 13.668 21.713 14.818 1.00 0.00 H ATOM 91 HG3 ARG A 5 15.606 21.618 16.409 1.00 0.00 H ATOM 92 HG2 ARG A 5 16.006 23.275 16.047 1.00 0.00 H ATOM 93 HD3 ARG A 5 15.918 21.072 13.936 1.00 0.00 H ATOM 94 HD2 ARG A 5 17.369 21.566 14.762 1.00 0.00 H ATOM 95 HE ARG A 5 15.873 23.059 12.728 1.00 0.00 H ATOM 96 HH12 ARG A 5 19.217 24.651 14.389 1.00 0.00 H ATOM 97 HH11 ARG A 5 18.486 23.257 15.150 1.00 0.00 H ATOM 98 HH22 ARG A 5 18.318 25.559 12.514 1.00 0.00 H ATOM 99 HH21 ARG A 5 16.893 24.878 11.769 1.00 0.00 H ATOM 100 N CYS A 6 13.753 25.440 16.607 1.00 12.58 N ATOM 101 CA CYS A 6 14.327 26.640 17.207 1.00 12.42 C ATOM 102 C CYS A 6 13.387 27.350 18.193 1.00 11.86 C ATOM 103 O CYS A 6 13.870 28.122 19.021 1.00 13.27 O ATOM 104 CB CYS A 6 14.715 27.612 16.086 1.00 13.64 C ATOM 105 SG CYS A 6 16.083 27.039 15.041 1.00 16.20 S ATOM 106 H CYS A 6 13.398 25.506 15.664 1.00 0.00 H ATOM 107 HA CYS A 6 15.216 26.368 17.775 1.00 0.00 H ATOM 108 HB3 CYS A 6 15.030 28.563 16.513 1.00 0.00 H ATOM 109 HB2 CYS A 6 13.857 27.831 15.448 1.00 0.00 H ATOM 110 N GLU A 7 12.077 27.047 18.163 1.00 12.12 N ATOM 111 CA GLU A 7 11.114 27.459 19.183 1.00 12.07 C ATOM 112 C GLU A 7 11.405 26.732 20.508 1.00 11.12 C ATOM 113 O GLU A 7 11.436 27.381 21.553 1.00 12.80 O ATOM 114 CB GLU A 7 9.682 27.156 18.691 1.00 16.60 C ATOM 115 CG GLU A 7 8.555 27.544 19.677 1.00 18.77 C ATOM 116 CD GLU A 7 7.191 26.934 19.346 1.00 21.58 C ATOM 117 OE1 GLU A 7 7.146 25.920 18.614 1.00 21.23 O ATOM 118 OE2 GLU A 7 6.203 27.481 19.882 1.00 26.51 O1- ATOM 119 H GLU A 7 11.755 26.384 17.471 1.00 0.00 H ATOM 120 HA GLU A 7 11.210 28.534 19.346 1.00 0.00 H ATOM 121 HB3 GLU A 7 9.614 26.093 18.470 1.00 0.00 H ATOM 122 HB2 GLU A 7 9.509 27.667 17.743 1.00 0.00 H ATOM 123 HG3 GLU A 7 8.463 28.630 19.715 1.00 0.00 H ATOM 124 HG2 GLU A 7 8.783 27.224 20.693 1.00 0.00 H ATOM 125 N LEU A 8 11.667 25.411 20.453 1.00 11.84 N ATOM 126 CA LEU A 8 12.025 24.587 21.607 1.00 10.90 C ATOM 127 C LEU A 8 13.402 24.966 22.169 1.00 10.67 C ATOM 128 O LEU A 8 13.545 25.021 23.387 1.00 11.45 O ATOM 129 CB LEU A 8 12.014 23.092 21.216 1.00 11.53 C ATOM 130 CG LEU A 8 12.275 22.100 22.377 1.00 11.62 C ATOM 131 CD1 LEU A 8 11.240 22.218 23.506 1.00 14.29 C ATOM 132 CD2 LEU A 8 12.330 20.661 21.856 1.00 16.83 C ATOM 133 H LEU A 8 11.617 24.951 19.553 1.00 0.00 H ATOM 134 HA LEU A 8 11.270 24.764 22.373 1.00 0.00 H ATOM 135 HB3 LEU A 8 12.748 22.920 20.428 1.00 0.00 H ATOM 136 HB2 LEU A 8 11.054 22.848 20.772 1.00 0.00 H ATOM 137 HG LEU A 8 13.254 22.307 22.807 1.00 0.00 H ATOM 138 HD11 LEU A 8 11.425 21.476 24.283 1.00 0.00 H ATOM 139 HD12 LEU A 8 11.277 23.194 23.989 1.00 0.00 H ATOM 140 HD13 LEU A 8 10.226 22.066 23.134 1.00 0.00 H ATOM 141 HD21 LEU A 8 12.520 19.956 22.665 1.00 0.00 H ATOM 142 HD22 LEU A 8 11.392 20.381 21.378 1.00 0.00 H ATOM 143 HD23 LEU A 8 13.127 20.541 21.123 1.00 0.00 H ATOM 144 N ALA A 9 14.391 25.263 21.306 1.00 10.92 N ATOM 145 CA ALA A 9 15.745 25.659 21.701 1.00 11.36 C ATOM 146 C ALA A 9 15.756 26.945 22.545 1.00 12.02 C ATOM 147 O ALA A 9 16.428 26.991 23.574 1.00 11.55 O ATOM 148 CB ALA A 9 16.615 25.826 20.446 1.00 13.31 C ATOM 149 H ALA A 9 14.201 25.179 20.317 1.00 0.00 H ATOM 150 HA ALA A 9 16.164 24.851 22.304 1.00 0.00 H ATOM 151 HB1 ALA A 9 17.654 26.019 20.713 1.00 0.00 H ATOM 152 HB2 ALA A 9 16.601 24.924 19.833 1.00 0.00 H ATOM 153 HB3 ALA A 9 16.274 26.656 19.828 1.00 0.00 H ATOM 154 N ARG A 10 14.959 27.957 22.154 1.00 11.89 N ATOM 155 CA ARG A 10 14.794 29.204 22.903 1.00 12.26 C ATOM 156 C ARG A 10 13.940 29.024 24.170 1.00 11.30 C ATOM 157 O ARG A 10 14.199 29.715 25.153 1.00 13.37 O ATOM 158 CB ARG A 10 14.115 30.261 22.011 1.00 15.41 C ATOM 159 CG ARG A 10 15.022 30.784 20.883 1.00 17.40 C ATOM 160 CD ARG A 10 14.393 31.949 20.107 1.00 21.37 C ATOM 161 NE ARG A 10 13.186 31.525 19.381 1.00 20.21 N ATOM 162 CZ ARG A 10 13.126 31.142 18.095 1.00 19.83 C ATOM 163 NH1 ARG A 10 14.224 31.089 17.327 1.00 20.32 N ATOM 164 NH2 ARG A 10 11.941 30.802 17.570 1.00 23.03 N1+ ATOM 165 H ARG A 10 14.425 27.847 21.303 1.00 0.00 H ATOM 166 HA ARG A 10 15.776 29.572 23.208 1.00 0.00 H ATOM 167 HB3 ARG A 10 13.818 31.114 22.623 1.00 0.00 H ATOM 168 HB2 ARG A 10 13.194 29.853 21.591 1.00 0.00 H ATOM 169 HG3 ARG A 10 15.288 29.980 20.198 1.00 0.00 H ATOM 170 HG2 ARG A 10 15.964 31.128 21.312 1.00 0.00 H ATOM 171 HD3 ARG A 10 15.118 32.381 19.417 1.00 0.00 H ATOM 172 HD2 ARG A 10 14.119 32.749 20.795 1.00 0.00 H ATOM 173 HE ARG A 10 12.332 31.518 19.920 1.00 0.00 H ATOM 174 HH12 ARG A 10 14.161 30.830 16.354 1.00 0.00 H ATOM 175 HH11 ARG A 10 15.129 31.313 17.720 1.00 0.00 H ATOM 176 HH22 ARG A 10 11.871 30.517 16.604 1.00 0.00 H ATOM 177 HH21 ARG A 10 11.102 30.841 18.131 1.00 0.00 H ATOM 178 N THR A 11 12.958 28.102 24.175 1.00 11.61 N ATOM 179 CA THR A 11 12.101 27.820 25.335 1.00 11.60 C ATOM 180 C THR A 11 12.907 27.119 26.442 1.00 11.46 C ATOM 181 O THR A 11 12.797 27.509 27.602 1.00 12.79 O ATOM 182 CB THR A 11 10.888 26.949 24.910 1.00 13.51 C ATOM 183 OG1 THR A 11 10.082 27.691 24.016 1.00 15.51 O ATOM 184 CG2 THR A 11 9.955 26.549 26.069 1.00 15.20 C ATOM 185 H THR A 11 12.805 27.556 23.338 1.00 0.00 H ATOM 186 HA THR A 11 11.735 28.766 25.738 1.00 0.00 H ATOM 187 HB THR A 11 11.226 26.046 24.402 1.00 0.00 H ATOM 188 HG1 THR A 11 10.546 27.770 23.193 1.00 0.00 H ATOM 189 HG21 THR A 11 9.097 25.984 25.705 1.00 0.00 H ATOM 190 HG22 THR A 11 10.459 25.920 26.801 1.00 0.00 H ATOM 191 HG23 THR A 11 9.577 27.426 26.595 1.00 0.00 H ATOM 192 N LEU A 12 13.748 26.133 26.084 1.00 10.78 N ATOM 193 CA LEU A 12 14.638 25.421 27.002 1.00 11.18 C ATOM 194 C LEU A 12 15.751 26.332 27.551 1.00 11.18 C ATOM 195 O LEU A 12 16.109 26.190 28.719 1.00 12.56 O ATOM 196 CB LEU A 12 15.276 24.215 26.276 1.00 12.02 C ATOM 197 CG LEU A 12 14.322 23.058 25.903 1.00 12.75 C ATOM 198 CD1 LEU A 12 15.068 22.010 25.063 1.00 17.07 C ATOM 199 CD2 LEU A 12 13.666 22.397 27.121 1.00 16.49 C ATOM 200 H LEU A 12 13.784 25.863 25.109 1.00 0.00 H ATOM 201 HA LEU A 12 14.057 25.076 27.857 1.00 0.00 H ATOM 202 HB3 LEU A 12 16.087 23.805 26.879 1.00 0.00 H ATOM 203 HB2 LEU A 12 15.737 24.582 25.361 1.00 0.00 H ATOM 204 HG LEU A 12 13.512 23.452 25.294 1.00 0.00 H ATOM 205 HD11 LEU A 12 14.403 21.204 24.750 1.00 0.00 H ATOM 206 HD12 LEU A 12 15.488 22.458 24.162 1.00 0.00 H ATOM 207 HD13 LEU A 12 15.890 21.563 25.622 1.00 0.00 H ATOM 208 HD21 LEU A 12 12.998 21.594 26.808 1.00 0.00 H ATOM 209 HD22 LEU A 12 14.412 21.970 27.790 1.00 0.00 H ATOM 210 HD23 LEU A 12 13.061 23.102 27.689 1.00 0.00 H ATOM 211 N LYS A 13 16.257 27.292 26.751 1.00 11.39 N ATOM 212 CA LYS A 13 17.254 28.275 27.185 1.00 11.97 C ATOM 213 C LYS A 13 16.678 29.287 28.198 1.00 12.47 C ATOM 214 O LYS A 13 17.370 29.611 29.163 1.00 13.70 O ATOM 215 CB LYS A 13 17.852 29.003 25.961 1.00 16.60 C ATOM 216 CG LYS A 13 18.973 29.996 26.338 1.00 22.62 C ATOM 217 CD LYS A 13 20.166 30.003 25.374 1.00 30.87 C ATOM 218 CE LYS A 13 21.275 30.958 25.845 1.00 37.86 C ATOM 219 NZ LYS A 13 22.588 30.576 25.302 1.00 58.06 N1+ ATOM 220 H LYS A 13 15.927 27.351 25.798 1.00 0.00 H ATOM 221 HA LYS A 13 18.061 27.728 27.679 1.00 0.00 H ATOM 222 HB3 LYS A 13 17.075 29.519 25.395 1.00 0.00 H ATOM 223 HB2 LYS A 13 18.253 28.248 25.286 1.00 0.00 H ATOM 224 HG3 LYS A 13 19.367 29.736 27.321 1.00 0.00 H ATOM 225 HG2 LYS A 13 18.558 31.000 26.437 1.00 0.00 H ATOM 226 HD3 LYS A 13 19.845 30.268 24.367 1.00 0.00 H ATOM 227 HD2 LYS A 13 20.565 28.989 25.317 1.00 0.00 H ATOM 228 HE3 LYS A 13 21.361 30.943 26.932 1.00 0.00 H ATOM 229 HE2 LYS A 13 21.041 31.983 25.556 1.00 0.00 H ATOM 230 HZ1 LYS A 13 22.550 30.506 24.287 1.00 0.00 H ATOM 231 HZ2 LYS A 13 23.286 31.255 25.566 1.00 0.00 H ATOM 232 HZ3 LYS A 13 22.852 29.669 25.672 1.00 0.00 H ATOM 233 N ARG A 14 15.417 29.732 28.031 1.00 12.34 N ATOM 234 CA ARG A 14 14.722 30.598 28.994 1.00 12.96 C ATOM 235 C ARG A 14 14.399 29.871 30.310 1.00 11.94 C ATOM 236 O ARG A 14 14.406 30.506 31.364 1.00 14.46 O ATOM 237 CB AARG A 14 13.391 31.111 28.410 0.70 15.74 C ATOM 238 CB BARG A 14 13.623 31.319 28.361 0.30 15.28 C ATOM 239 CG AARG A 14 13.547 32.233 27.372 0.70 21.21 C ATOM 240 CG BARG A 14 14.058 32.408 27.351 0.30 19.21 C ATOM 241 CD AARG A 14 12.220 32.944 27.061 0.70 28.16 C ATOM 242 CD BARG A 14 15.036 33.371 28.016 0.30 26.84 C ATOM 243 NE AARG A 14 11.170 31.996 26.657 0.70 30.61 N ATOM 244 NE BARG A 14 15.209 34.596 27.262 0.30 35.78 N ATOM 245 CZ AARG A 14 10.860 31.634 25.402 0.70 30.91 C ATOM 246 CZ BARG A 14 14.338 35.577 27.122 0.30 33.72 C ATOM 247 NH1AARG A 14 11.525 32.126 24.347 0.70 32.12 N ATOM 248 NH1BARG A 14 13.846 35.867 25.919 0.30 36.51 N ATOM 249 NH2AARG A 14 9.870 30.756 25.202 0.70 31.46 N1+ ATOM 250 NH2BARG A 14 13.965 36.331 28.153 0.30 28.73 N1+ ATOM 251 H ARG A 14 14.901 29.430 27.215 1.00 0.00 H ATOM 252 HA ARG A 14 15.363 31.448 29.233 1.00 0.00 H ATOM 253 HB3AARG A 14 12.772 31.505 29.218 0.70 0.00 H ATOM 254 HB3BARG A 14 13.069 31.783 29.177 0.30 0.00 H ATOM 255 HB2AARG A 14 12.828 30.280 27.982 0.70 0.00 H ATOM 256 HB2BARG A 14 12.921 30.639 27.879 0.30 0.00 H ATOM 257 HG3AARG A 14 13.996 31.855 26.456 0.70 0.00 H ATOM 258 HG3BARG A 14 13.181 32.959 27.011 0.30 0.00 H ATOM 259 HG2AARG A 14 14.245 32.978 27.756 0.70 0.00 H ATOM 260 HG2BARG A 14 14.539 31.937 26.494 0.30 0.00 H ATOM 261 HD3AARG A 14 12.360 33.711 26.301 0.70 0.00 H ATOM 262 HD3BARG A 14 16.002 32.880 28.137 0.30 0.00 H ATOM 263 HD2AARG A 14 11.871 33.463 27.954 0.70 0.00 H ATOM 264 HD2BARG A 14 14.684 33.610 29.019 0.30 0.00 H ATOM 265 HE AARG A 14 10.654 31.573 27.416 0.70 0.00 H ATOM 266 HE BARG A 14 16.112 34.655 26.814 0.30 0.00 H ATOM 267 HH12AARG A 14 11.276 31.853 23.409 0.70 0.00 H ATOM 268 HH12BARG A 14 13.179 36.618 25.814 0.30 0.00 H ATOM 269 HH11AARG A 14 12.279 32.782 24.492 0.70 0.00 H ATOM 270 HH11BARG A 14 14.140 35.336 25.112 0.30 0.00 H ATOM 271 HH22AARG A 14 9.635 30.445 24.271 0.70 0.00 H ATOM 272 HH22BARG A 14 13.296 37.076 28.018 0.30 0.00 H ATOM 273 HH21AARG A 14 9.360 30.375 25.986 0.70 0.00 H ATOM 274 HH21BARG A 14 14.351 36.159 29.070 0.30 0.00 H ATOM 275 N LEU A 15 14.149 28.553 30.254 1.00 11.41 N ATOM 276 CA LEU A 15 13.910 27.703 31.420 1.00 11.71 C ATOM 277 C LEU A 15 15.227 27.164 32.027 1.00 12.33 C ATOM 278 O LEU A 15 15.173 26.345 32.942 1.00 15.00 O ATOM 279 CB LEU A 15 12.990 26.530 31.008 1.00 13.70 C ATOM 280 CG LEU A 15 11.555 26.941 30.599 1.00 15.21 C ATOM 281 CD1 LEU A 15 10.825 25.778 29.912 1.00 16.24 C ATOM 282 CD2 LEU A 15 10.729 27.444 31.795 1.00 20.49 C ATOM 283 H LEU A 15 14.146 28.106 29.348 1.00 0.00 H ATOM 284 HA LEU A 15 13.422 28.279 32.206 1.00 0.00 H ATOM 285 HB3 LEU A 15 12.895 25.837 31.842 1.00 0.00 H ATOM 286 HB2 LEU A 15 13.461 25.973 30.196 1.00 0.00 H ATOM 287 HG LEU A 15 11.612 27.755 29.877 1.00 0.00 H ATOM 288 HD11 LEU A 15 9.845 26.089 29.547 1.00 0.00 H ATOM 289 HD12 LEU A 15 11.389 25.406 29.055 1.00 0.00 H ATOM 290 HD13 LEU A 15 10.671 24.946 30.600 1.00 0.00 H ATOM 291 HD21 LEU A 15 9.712 27.694 31.489 1.00 0.00 H ATOM 292 HD22 LEU A 15 10.659 26.687 32.577 1.00 0.00 H ATOM 293 HD23 LEU A 15 11.159 28.342 32.236 1.00 0.00 H ATOM 294 N GLY A 16 16.397 27.659 31.583 1.00 12.66 N ATOM 295 CA GLY A 16 17.693 27.491 32.241 1.00 13.48 C ATOM 296 C GLY A 16 18.378 26.136 32.032 1.00 12.84 C ATOM 297 O GLY A 16 19.131 25.711 32.908 1.00 15.76 O ATOM 298 H GLY A 16 16.364 28.320 30.819 1.00 0.00 H ATOM 299 HA3 GLY A 16 17.584 27.679 33.310 1.00 0.00 H ATOM 300 HA2 GLY A 16 18.360 28.265 31.862 1.00 0.00 H ATOM 301 N MET A 17 18.108 25.449 30.910 1.00 11.57 N ATOM 302 CA MET A 17 18.641 24.115 30.620 1.00 11.60 C ATOM 303 C MET A 17 20.040 24.138 29.984 1.00 11.86 C ATOM 304 O MET A 17 20.746 23.136 30.093 1.00 14.20 O ATOM 305 CB MET A 17 17.687 23.399 29.642 1.00 13.14 C ATOM 306 CG MET A 17 16.395 22.944 30.328 1.00 14.11 C ATOM 307 SD MET A 17 16.645 21.526 31.435 1.00 18.03 S ATOM 308 CE MET A 17 15.828 20.227 30.478 1.00 24.42 C ATOM 309 H MET A 17 17.464 25.850 30.241 1.00 0.00 H ATOM 310 HA MET A 17 18.712 23.537 31.543 1.00 0.00 H ATOM 311 HB3 MET A 17 18.162 22.518 29.207 1.00 0.00 H ATOM 312 HB2 MET A 17 17.463 24.048 28.798 1.00 0.00 H ATOM 313 HG3 MET A 17 15.652 22.678 29.578 1.00 0.00 H ATOM 314 HG2 MET A 17 15.958 23.763 30.901 1.00 0.00 H ATOM 315 HE1 MET A 17 15.950 19.266 30.975 1.00 0.00 H ATOM 316 HE2 MET A 17 14.762 20.429 30.389 1.00 0.00 H ATOM 317 HE3 MET A 17 16.254 20.161 29.477 1.00 0.00 H ATOM 318 N ASP A 18 20.461 25.247 29.347 1.00 12.93 N ATOM 319 CA ASP A 18 21.769 25.362 28.695 1.00 14.41 C ATOM 320 C ASP A 18 22.891 25.400 29.750 1.00 14.70 C ATOM 321 O ASP A 18 22.996 26.354 30.522 1.00 17.65 O ATOM 322 CB ASP A 18 21.792 26.625 27.797 1.00 16.44 C ATOM 323 CG ASP A 18 23.038 26.753 26.905 1.00 19.56 C ATOM 324 OD1 ASP A 18 23.642 25.702 26.586 1.00 20.72 O ATOM 325 OD2 ASP A 18 23.340 27.907 26.526 1.00 29.13 O1- ATOM 326 H ASP A 18 19.850 26.049 29.314 1.00 0.00 H ATOM 327 HA ASP A 18 21.895 24.480 28.061 1.00 0.00 H ATOM 328 HB3 ASP A 18 21.702 27.525 28.408 1.00 0.00 H ATOM 329 HB2 ASP A 18 20.922 26.624 27.139 1.00 0.00 H ATOM 330 N GLY A 19 23.697 24.331 29.787 1.00 12.95 N ATOM 331 CA GLY A 19 24.774 24.116 30.746 1.00 15.05 C ATOM 332 C GLY A 19 24.325 23.552 32.102 1.00 12.69 C ATOM 333 O GLY A 19 25.160 23.474 33.003 1.00 15.26 O ATOM 334 H GLY A 19 23.517 23.579 29.135 1.00 0.00 H ATOM 335 HA3 GLY A 19 25.323 25.045 30.907 1.00 0.00 H ATOM 336 HA2 GLY A 19 25.480 23.412 30.305 1.00 0.00 H ATOM 337 N TYR A 20 23.045 23.156 32.268 1.00 13.11 N ATOM 338 CA TYR A 20 22.515 22.597 33.516 1.00 11.95 C ATOM 339 C TYR A 20 23.117 21.206 33.753 1.00 11.72 C ATOM 340 O TYR A 20 22.905 20.300 32.947 1.00 12.45 O ATOM 341 CB TYR A 20 20.974 22.487 33.462 1.00 12.49 C ATOM 342 CG TYR A 20 20.371 22.107 34.807 1.00 12.45 C ATOM 343 CD1 TYR A 20 20.057 23.118 35.738 1.00 15.37 C ATOM 344 CD2 TYR A 20 20.201 20.751 35.167 1.00 12.41 C ATOM 345 CE1 TYR A 20 19.610 22.778 37.029 1.00 16.89 C ATOM 346 CE2 TYR A 20 19.763 20.411 36.462 1.00 13.65 C ATOM 347 CZ TYR A 20 19.475 21.426 37.396 1.00 15.67 C ATOM 348 OH TYR A 20 19.073 21.103 38.658 1.00 20.08 O ATOM 349 H TYR A 20 22.413 23.231 31.482 1.00 0.00 H ATOM 350 HA TYR A 20 22.789 23.267 34.334 1.00 0.00 H ATOM 351 HB3 TYR A 20 20.652 21.774 32.701 1.00 0.00 H ATOM 352 HB2 TYR A 20 20.556 23.448 33.161 1.00 0.00 H ATOM 353 HD1 TYR A 20 20.187 24.157 35.473 1.00 0.00 H ATOM 354 HD2 TYR A 20 20.441 19.968 34.462 1.00 0.00 H ATOM 355 HE1 TYR A 20 19.388 23.561 37.739 1.00 0.00 H ATOM 356 HE2 TYR A 20 19.659 19.374 36.740 1.00 0.00 H ATOM 357 HH TYR A 20 19.000 21.864 39.215 1.00 0.00 H ATOM 358 N ARG A 21 23.899 21.068 34.840 1.00 13.06 N ATOM 359 CA ARG A 21 24.642 19.861 35.223 1.00 14.28 C ATOM 360 C ARG A 21 25.746 19.504 34.200 1.00 13.33 C ATOM 361 O ARG A 21 26.128 18.342 34.071 1.00 14.35 O ATOM 362 CB ARG A 21 23.681 18.692 35.575 1.00 16.78 C ATOM 363 CG ARG A 21 23.015 18.849 36.958 1.00 25.30 C ATOM 364 CD ARG A 21 23.882 18.300 38.102 1.00 33.61 C ATOM 365 NE ARG A 21 23.987 16.839 37.994 1.00 56.79 N ATOM 366 CZ ARG A 21 24.915 16.032 38.527 1.00 61.31 C ATOM 367 NH1 ARG A 21 25.901 16.509 39.298 1.00 60.56 N ATOM 368 NH2 ARG A 21 24.844 14.718 38.277 1.00 45.90 N1+ ATOM 369 H ARG A 21 24.022 21.879 35.429 1.00 0.00 H ATOM 370 HA ARG A 21 25.191 20.123 36.127 1.00 0.00 H ATOM 371 HB3 ARG A 21 24.200 17.734 35.539 1.00 0.00 H ATOM 372 HB2 ARG A 21 22.900 18.597 34.821 1.00 0.00 H ATOM 373 HG3 ARG A 21 22.068 18.310 36.961 1.00 0.00 H ATOM 374 HG2 ARG A 21 22.757 19.892 37.143 1.00 0.00 H ATOM 375 HD3 ARG A 21 23.435 18.545 39.066 1.00 0.00 H ATOM 376 HD2 ARG A 21 24.874 18.752 38.081 1.00 0.00 H ATOM 377 HE ARG A 21 23.252 16.389 37.459 1.00 0.00 H ATOM 378 HH12 ARG A 21 26.592 15.889 39.692 1.00 0.00 H ATOM 379 HH11 ARG A 21 25.956 17.499 39.488 1.00 0.00 H ATOM 380 HH22 ARG A 21 25.527 14.082 38.660 1.00 0.00 H ATOM 381 HH21 ARG A 21 24.081 14.347 37.725 1.00 0.00 H ATOM 382 N GLY A 22 26.243 20.515 33.465 1.00 12.43 N ATOM 383 CA GLY A 22 27.242 20.400 32.406 1.00 12.76 C ATOM 384 C GLY A 22 26.683 19.989 31.035 1.00 11.21 C ATOM 385 O GLY A 22 27.470 19.806 30.107 1.00 12.81 O ATOM 386 H GLY A 22 25.869 21.440 33.628 1.00 0.00 H ATOM 387 HA3 GLY A 22 28.019 19.694 32.700 1.00 0.00 H ATOM 388 HA2 GLY A 22 27.729 21.370 32.297 1.00 0.00 H ATOM 389 N ILE A 23 25.355 19.829 30.897 1.00 11.07 N ATOM 390 CA ILE A 23 24.694 19.370 29.675 1.00 11.77 C ATOM 391 C ILE A 23 24.320 20.615 28.857 1.00 10.74 C ATOM 392 O ILE A 23 23.501 21.425 29.292 1.00 12.48 O ATOM 393 CB ILE A 23 23.405 18.575 30.040 1.00 10.86 C ATOM 394 CG1 ILE A 23 23.696 17.379 30.980 1.00 12.80 C ATOM 395 CG2 ILE A 23 22.667 18.067 28.780 1.00 13.41 C ATOM 396 CD1 ILE A 23 22.461 16.900 31.749 1.00 14.46 C ATOM 397 H ILE A 23 24.765 20.003 31.699 1.00 0.00 H ATOM 398 HA ILE A 23 25.359 18.723 29.098 1.00 0.00 H ATOM 399 HB ILE A 23 22.728 19.248 30.567 1.00 0.00 H ATOM 400 HG13 ILE A 23 24.447 17.634 31.727 1.00 0.00 H ATOM 401 HG12 ILE A 23 24.121 16.553 30.409 1.00 0.00 H ATOM 402 HG21 ILE A 23 21.744 17.556 29.041 1.00 0.00 H ATOM 403 HG22 ILE A 23 22.381 18.874 28.109 1.00 0.00 H ATOM 404 HG23 ILE A 23 23.284 17.370 28.212 1.00 0.00 H ATOM 405 HD11 ILE A 23 22.702 16.024 32.351 1.00 0.00 H ATOM 406 HD12 ILE A 23 22.097 17.676 32.422 1.00 0.00 H ATOM 407 HD13 ILE A 23 21.645 16.630 31.082 1.00 0.00 H ATOM 408 N SER A 24 24.903 20.734 27.654 1.00 11.50 N ATOM 409 CA SER A 24 24.613 21.784 26.679 1.00 11.97 C ATOM 410 C SER A 24 23.193 21.647 26.105 1.00 11.84 C ATOM 411 O SER A 24 22.622 20.554 26.077 1.00 11.40 O ATOM 412 CB SER A 24 25.672 21.722 25.553 1.00 12.92 C ATOM 413 OG SER A 24 25.510 20.611 24.689 1.00 13.62 O ATOM 414 H SER A 24 25.562 20.023 27.373 1.00 0.00 H ATOM 415 HA SER A 24 24.698 22.748 27.186 1.00 0.00 H ATOM 416 HB3 SER A 24 26.678 21.704 25.974 1.00 0.00 H ATOM 417 HB2 SER A 24 25.609 22.625 24.945 1.00 0.00 H ATOM 418 HG SER A 24 26.164 20.667 24.007 1.00 0.00 H ATOM 419 N LEU A 25 22.646 22.768 25.613 1.00 12.17 N ATOM 420 CA LEU A 25 21.343 22.864 24.953 1.00 12.23 C ATOM 421 C LEU A 25 21.202 21.942 23.725 1.00 12.01 C ATOM 422 O LEU A 25 20.113 21.436 23.471 1.00 12.74 O ATOM 423 CB ALEU A 25 21.118 24.343 24.592 0.60 14.96 C ATOM 424 CB BLEU A 25 21.113 24.252 24.416 0.40 14.11 C ATOM 425 CG ALEU A 25 19.773 24.696 23.929 0.60 13.26 C ATOM 426 CG BLEU A 25 20.522 25.236 25.409 0.40 14.92 C ATOM 427 CD1ALEU A 25 18.571 24.389 24.832 0.60 18.00 C ATOM 428 CD1BLEU A 25 20.169 26.550 24.693 0.40 24.21 C ATOM 429 CD2ALEU A 25 19.780 26.170 23.522 0.60 15.14 C ATOM 430 CD2BLEU A 25 19.278 24.653 26.059 0.40 17.27 C ATOM 431 H LEU A 25 23.168 23.630 25.707 1.00 0.00 H ATOM 432 HA LEU A 25 20.592 22.563 25.683 1.00 0.00 H ATOM 433 HB3ALEU A 25 21.931 24.671 23.941 0.60 0.00 H ATOM 434 HB3BLEU A 25 20.461 24.185 23.545 0.40 0.00 H ATOM 435 HB2ALEU A 25 21.210 24.937 25.500 0.60 0.00 H ATOM 436 HB2BLEU A 25 22.029 24.670 23.998 0.40 0.00 H ATOM 437 HG ALEU A 25 19.659 24.117 23.013 0.60 0.00 H ATOM 438 HG BLEU A 25 21.261 25.443 26.183 0.40 0.00 H ATOM 439 HD11ALEU A 25 17.651 24.657 24.316 0.60 0.00 H ATOM 440 HD11BLEU A 25 19.745 27.253 25.410 0.40 0.00 H ATOM 441 HD12ALEU A 25 18.501 23.329 25.075 0.60 0.00 H ATOM 442 HD12BLEU A 25 21.070 26.979 24.254 0.40 0.00 H ATOM 443 HD13ALEU A 25 18.612 24.951 25.766 0.60 0.00 H ATOM 444 HD13BLEU A 25 19.441 26.351 23.906 0.40 0.00 H ATOM 445 HD21ALEU A 25 18.884 26.431 22.962 0.60 0.00 H ATOM 446 HD21BLEU A 25 18.867 25.372 26.768 0.40 0.00 H ATOM 447 HD22ALEU A 25 19.841 26.821 24.393 0.60 0.00 H ATOM 448 HD22BLEU A 25 18.535 24.435 25.292 0.40 0.00 H ATOM 449 HD23ALEU A 25 20.638 26.390 22.887 0.60 0.00 H ATOM 450 HD23BLEU A 25 19.538 23.734 26.584 0.40 0.00 H ATOM 451 N ALA A 26 22.308 21.681 23.008 1.00 11.62 N ATOM 452 CA ALA A 26 22.391 20.793 21.851 1.00 12.16 C ATOM 453 C ALA A 26 22.151 19.311 22.195 1.00 12.03 C ATOM 454 O ALA A 26 21.562 18.596 21.386 1.00 12.52 O ATOM 455 CB ALA A 26 23.790 20.957 21.243 1.00 14.36 C ATOM 456 H ALA A 26 23.166 22.122 23.306 1.00 0.00 H ATOM 457 HA ALA A 26 21.646 21.099 21.117 1.00 0.00 H ATOM 458 HB1 ALA A 26 23.906 20.349 20.351 1.00 0.00 H ATOM 459 HB2 ALA A 26 23.976 21.992 20.956 1.00 0.00 H ATOM 460 HB3 ALA A 26 24.571 20.664 21.945 1.00 0.00 H ATOM 461 N ASN A 27 22.557 18.867 23.399 1.00 11.30 N ATOM 462 CA ASN A 27 22.317 17.516 23.917 1.00 11.72 C ATOM 463 C ASN A 27 20.892 17.338 24.469 1.00 11.31 C ATOM 464 O ASN A 27 20.350 16.239 24.359 1.00 12.02 O ATOM 465 CB ASN A 27 23.326 17.198 25.045 1.00 11.67 C ATOM 466 CG ASN A 27 24.685 16.762 24.496 1.00 12.91 C ATOM 467 OD1 ASN A 27 24.795 15.686 23.912 1.00 15.81 O ATOM 468 ND2 ASN A 27 25.718 17.586 24.665 1.00 15.94 N ATOM 469 H ASN A 27 23.016 19.523 24.016 1.00 0.00 H ATOM 470 HA ASN A 27 22.435 16.793 23.106 1.00 0.00 H ATOM 471 HB3 ASN A 27 22.966 16.375 25.665 1.00 0.00 H ATOM 472 HB2 ASN A 27 23.443 18.048 25.718 1.00 0.00 H ATOM 473 HD22 ASN A 27 26.627 17.323 24.311 1.00 0.00 H ATOM 474 HD21 ASN A 27 25.585 18.485 25.108 1.00 0.00 H ATOM 475 N TRP A 28 20.267 18.404 25.003 1.00 10.26 N ATOM 476 CA TRP A 28 18.860 18.413 25.420 1.00 10.77 C ATOM 477 C TRP A 28 17.907 18.410 24.215 1.00 11.26 C ATOM 478 O TRP A 28 16.847 17.788 24.274 1.00 11.17 O ATOM 479 CB TRP A 28 18.565 19.681 26.244 1.00 10.49 C ATOM 480 CG TRP A 28 19.087 19.689 27.645 1.00 10.02 C ATOM 481 CD1 TRP A 28 19.979 20.570 28.149 1.00 12.17 C ATOM 482 CD2 TRP A 28 18.721 18.811 28.751 1.00 10.69 C ATOM 483 NE1 TRP A 28 20.180 20.307 29.486 1.00 12.53 N ATOM 484 CE2 TRP A 28 19.411 19.249 29.921 1.00 11.35 C ATOM 485 CE3 TRP A 28 17.856 17.700 28.894 1.00 12.47 C ATOM 486 CZ2 TRP A 28 19.232 18.640 31.173 1.00 13.34 C ATOM 487 CZ3 TRP A 28 17.677 17.070 30.141 1.00 14.07 C ATOM 488 CH2 TRP A 28 18.351 17.549 31.281 1.00 14.86 C ATOM 489 H TRP A 28 20.779 19.273 25.075 1.00 0.00 H ATOM 490 HA TRP A 28 18.653 17.525 26.020 1.00 0.00 H ATOM 491 HB3 TRP A 28 17.487 19.817 26.338 1.00 0.00 H ATOM 492 HB2 TRP A 28 18.930 20.567 25.723 1.00 0.00 H ATOM 493 HD1 TRP A 28 20.440 21.370 27.592 1.00 0.00 H ATOM 494 HE1 TRP A 28 20.795 20.873 30.056 1.00 0.00 H ATOM 495 HE3 TRP A 28 17.312 17.341 28.034 1.00 0.00 H ATOM 496 HZ2 TRP A 28 19.759 19.010 32.039 1.00 0.00 H ATOM 497 HZ3 TRP A 28 17.005 16.228 30.226 1.00 0.00 H ATOM 498 HH2 TRP A 28 18.189 17.082 32.240 1.00 0.00 H ATOM 499 N MET A 29 18.302 19.083 23.122 1.00 10.67 N ATOM 500 CA MET A 29 17.567 19.143 21.866 1.00 10.61 C ATOM 501 C MET A 29 17.691 17.833 21.074 1.00 11.13 C ATOM 502 O MET A 29 16.724 17.438 20.427 1.00 11.94 O ATOM 503 CB MET A 29 18.133 20.297 21.015 1.00 11.54 C ATOM 504 CG MET A 29 17.594 21.683 21.401 1.00 12.10 C ATOM 505 SD MET A 29 15.808 21.917 21.206 1.00 14.40 S ATOM 506 CE MET A 29 15.601 21.604 19.436 1.00 17.16 C ATOM 507 H MET A 29 19.172 19.596 23.171 1.00 0.00 H ATOM 508 HA MET A 29 16.507 19.306 22.072 1.00 0.00 H ATOM 509 HB3 MET A 29 17.886 20.134 19.973 1.00 0.00 H ATOM 510 HB2 MET A 29 19.223 20.299 21.056 1.00 0.00 H ATOM 511 HG3 MET A 29 18.089 22.443 20.799 1.00 0.00 H ATOM 512 HG2 MET A 29 17.835 21.906 22.439 1.00 0.00 H ATOM 513 HE1 MET A 29 14.549 21.688 19.169 1.00 0.00 H ATOM 514 HE2 MET A 29 16.176 22.320 18.850 1.00 0.00 H ATOM 515 HE3 MET A 29 15.918 20.597 19.177 1.00 0.00 H ATOM 516 N CYS A 30 18.839 17.136 21.160 1.00 11.31 N ATOM 517 CA CYS A 30 19.035 15.806 20.582 1.00 11.47 C ATOM 518 C CYS A 30 18.188 14.757 21.324 1.00 12.45 C ATOM 519 O CYS A 30 17.545 13.936 20.672 1.00 12.88 O ATOM 520 CB CYS A 30 20.531 15.434 20.628 1.00 12.22 C ATOM 521 SG CYS A 30 20.941 13.900 19.749 1.00 13.65 S ATOM 522 H CYS A 30 19.602 17.530 21.693 1.00 0.00 H ATOM 523 HA CYS A 30 18.719 15.837 19.537 1.00 0.00 H ATOM 524 HB3 CYS A 30 20.892 15.367 21.655 1.00 0.00 H ATOM 525 HB2 CYS A 30 21.111 16.227 20.158 1.00 0.00 H ATOM 526 N LEU A 31 18.133 14.823 22.670 1.00 11.57 N ATOM 527 CA LEU A 31 17.282 13.989 23.522 1.00 12.27 C ATOM 528 C LEU A 31 15.796 14.127 23.152 1.00 11.08 C ATOM 529 O LEU A 31 15.149 13.122 22.870 1.00 12.30 O ATOM 530 CB LEU A 31 17.540 14.326 25.012 1.00 13.03 C ATOM 531 CG LEU A 31 16.633 13.595 26.035 1.00 12.69 C ATOM 532 CD1 LEU A 31 16.905 12.087 26.076 1.00 15.53 C ATOM 533 CD2 LEU A 31 16.765 14.209 27.434 1.00 16.22 C ATOM 534 H LEU A 31 18.695 15.524 23.134 1.00 0.00 H ATOM 535 HA LEU A 31 17.576 12.953 23.344 1.00 0.00 H ATOM 536 HB3 LEU A 31 17.420 15.399 25.153 1.00 0.00 H ATOM 537 HB2 LEU A 31 18.583 14.117 25.250 1.00 0.00 H ATOM 538 HG LEU A 31 15.589 13.731 25.756 1.00 0.00 H ATOM 539 HD11 LEU A 31 16.149 11.587 26.679 1.00 0.00 H ATOM 540 HD12 LEU A 31 16.869 11.631 25.088 1.00 0.00 H ATOM 541 HD13 LEU A 31 17.879 11.874 26.514 1.00 0.00 H ATOM 542 HD21 LEU A 31 16.083 13.729 28.136 1.00 0.00 H ATOM 543 HD22 LEU A 31 17.777 14.106 27.824 1.00 0.00 H ATOM 544 HD23 LEU A 31 16.517 15.270 27.419 1.00 0.00 H ATOM 545 N ALA A 32 15.275 15.365 23.114 1.00 11.51 N ATOM 546 CA ALA A 32 13.875 15.677 22.821 1.00 11.12 C ATOM 547 C ALA A 32 13.431 15.283 21.401 1.00 11.09 C ATOM 548 O ALA A 32 12.265 14.933 21.208 1.00 13.12 O ATOM 549 CB ALA A 32 13.656 17.184 23.023 1.00 12.81 C ATOM 550 H ALA A 32 15.879 16.141 23.350 1.00 0.00 H ATOM 551 HA ALA A 32 13.255 15.133 23.535 1.00 0.00 H ATOM 552 HB1 ALA A 32 12.619 17.461 22.832 1.00 0.00 H ATOM 553 HB2 ALA A 32 13.887 17.478 24.047 1.00 0.00 H ATOM 554 HB3 ALA A 32 14.287 17.776 22.358 1.00 0.00 H ATOM 555 N LYS A 33 14.357 15.304 20.424 1.00 10.96 N ATOM 556 CA LYS A 33 14.105 14.938 19.032 1.00 12.88 C ATOM 557 C LYS A 33 13.902 13.425 18.876 1.00 12.92 C ATOM 558 O LYS A 33 12.998 13.010 18.154 1.00 14.54 O ATOM 559 CB LYS A 33 15.300 15.385 18.154 1.00 14.78 C ATOM 560 CG LYS A 33 15.003 15.352 16.641 1.00 24.35 C ATOM 561 CD LYS A 33 15.452 14.065 15.923 1.00 31.88 C ATOM 562 CE LYS A 33 14.633 13.764 14.660 1.00 43.51 C ATOM 563 NZ LYS A 33 14.753 14.839 13.661 1.00 44.62 N1+ ATOM 564 H LYS A 33 15.295 15.595 20.664 1.00 0.00 H ATOM 565 HA LYS A 33 13.200 15.454 18.704 1.00 0.00 H ATOM 566 HB3 LYS A 33 16.205 14.820 18.384 1.00 0.00 H ATOM 567 HB2 LYS A 33 15.539 16.415 18.408 1.00 0.00 H ATOM 568 HG3 LYS A 33 15.504 16.195 16.165 1.00 0.00 H ATOM 569 HG2 LYS A 33 13.937 15.525 16.484 1.00 0.00 H ATOM 570 HD3 LYS A 33 15.358 13.207 16.586 1.00 0.00 H ATOM 571 HD2 LYS A 33 16.514 14.126 15.684 1.00 0.00 H ATOM 572 HE3 LYS A 33 13.581 13.629 14.915 1.00 0.00 H ATOM 573 HE2 LYS A 33 14.972 12.830 14.212 1.00 0.00 H ATOM 574 HZ1 LYS A 33 14.418 15.706 14.058 1.00 0.00 H ATOM 575 HZ2 LYS A 33 15.721 14.944 13.393 1.00 0.00 H ATOM 576 HZ3 LYS A 33 14.202 14.607 12.847 1.00 0.00 H ATOM 577 N TRP A 34 14.744 12.609 19.527 1.00 12.70 N ATOM 578 CA TRP A 34 14.750 11.157 19.358 1.00 13.46 C ATOM 579 C TRP A 34 13.864 10.416 20.365 1.00 13.18 C ATOM 580 O TRP A 34 13.552 9.249 20.125 1.00 18.23 O ATOM 581 CB TRP A 34 16.202 10.659 19.452 1.00 14.44 C ATOM 582 CG TRP A 34 17.002 11.036 18.242 1.00 13.70 C ATOM 583 CD1 TRP A 34 18.057 11.880 18.214 1.00 14.63 C ATOM 584 CD2 TRP A 34 16.779 10.631 16.857 1.00 16.12 C ATOM 585 NE1 TRP A 34 18.480 12.049 16.914 1.00 17.71 N ATOM 586 CE2 TRP A 34 17.725 11.308 16.031 1.00 16.71 C ATOM 587 CE3 TRP A 34 15.860 9.772 16.209 1.00 17.51 C ATOM 588 CZ2 TRP A 34 17.750 11.155 14.634 1.00 23.07 C ATOM 589 CZ3 TRP A 34 15.875 9.608 14.809 1.00 23.60 C ATOM 590 CH2 TRP A 34 16.815 10.300 14.021 1.00 24.86 C ATOM 591 H TRP A 34 15.465 13.016 20.108 1.00 0.00 H ATOM 592 HA TRP A 34 14.361 10.898 18.372 1.00 0.00 H ATOM 593 HB3 TRP A 34 16.227 9.572 19.533 1.00 0.00 H ATOM 594 HB2 TRP A 34 16.686 11.047 20.351 1.00 0.00 H ATOM 595 HD1 TRP A 34 18.485 12.357 19.080 1.00 0.00 H ATOM 596 HE1 TRP A 34 19.230 12.681 16.663 1.00 0.00 H ATOM 597 HE3 TRP A 34 15.129 9.236 16.797 1.00 0.00 H ATOM 598 HZ2 TRP A 34 18.477 11.688 14.039 1.00 0.00 H ATOM 599 HZ3 TRP A 34 15.160 8.949 14.338 1.00 0.00 H ATOM 600 HH2 TRP A 34 16.822 10.172 12.949 1.00 0.00 H ATOM 601 N GLU A 35 13.409 11.082 21.438 1.00 12.38 N ATOM 602 CA GLU A 35 12.443 10.526 22.381 1.00 13.11 C ATOM 603 C GLU A 35 11.003 10.763 21.890 1.00 13.40 C ATOM 604 O GLU A 35 10.183 9.855 22.014 1.00 14.31 O ATOM 605 CB GLU A 35 12.619 11.218 23.754 1.00 13.51 C ATOM 606 CG GLU A 35 13.860 10.751 24.551 1.00 13.78 C ATOM 607 CD GLU A 35 13.844 9.297 25.039 1.00 15.30 C ATOM 608 OE1 GLU A 35 12.847 8.584 24.794 1.00 17.48 O ATOM 609 OE2 GLU A 35 14.861 8.910 25.652 1.00 19.70 O1- ATOM 610 H GLU A 35 13.734 12.025 21.600 1.00 0.00 H ATOM 611 HA GLU A 35 12.587 9.450 22.473 1.00 0.00 H ATOM 612 HB3 GLU A 35 11.741 11.056 24.376 1.00 0.00 H ATOM 613 HB2 GLU A 35 12.666 12.300 23.620 1.00 0.00 H ATOM 614 HG3 GLU A 35 13.981 11.392 25.424 1.00 0.00 H ATOM 615 HG2 GLU A 35 14.759 10.877 23.950 1.00 0.00 H ATOM 616 N SER A 36 10.687 11.943 21.326 1.00 13.52 N ATOM 617 CA SER A 36 9.307 12.360 21.046 1.00 13.25 C ATOM 618 C SER A 36 9.068 13.005 19.674 1.00 13.07 C ATOM 619 O SER A 36 7.910 13.136 19.276 1.00 15.89 O ATOM 620 CB SER A 36 8.807 13.246 22.200 1.00 13.02 C ATOM 621 OG SER A 36 9.352 14.548 22.097 1.00 13.33 O ATOM 622 H SER A 36 11.414 12.637 21.230 1.00 0.00 H ATOM 623 HA SER A 36 8.665 11.478 21.036 1.00 0.00 H ATOM 624 HB3 SER A 36 9.043 12.816 23.174 1.00 0.00 H ATOM 625 HB2 SER A 36 7.724 13.329 22.148 1.00 0.00 H ATOM 626 HG SER A 36 10.272 14.508 22.319 1.00 0.00 H ATOM 627 N GLY A 37 10.121 13.468 18.981 1.00 14.49 N ATOM 628 CA GLY A 37 9.994 14.312 17.790 1.00 14.62 C ATOM 629 C GLY A 37 9.544 15.748 18.106 1.00 12.70 C ATOM 630 O GLY A 37 8.973 16.403 17.236 1.00 16.12 O ATOM 631 H GLY A 37 11.053 13.306 19.336 1.00 0.00 H ATOM 632 HA3 GLY A 37 9.296 13.857 17.085 1.00 0.00 H ATOM 633 HA2 GLY A 37 10.956 14.362 17.284 1.00 0.00 H ATOM 634 N TYR A 38 9.757 16.204 19.355 1.00 12.50 N ATOM 635 CA TYR A 38 9.408 17.516 19.912 1.00 12.41 C ATOM 636 C TYR A 38 7.939 17.615 20.377 1.00 12.36 C ATOM 637 O TYR A 38 7.436 18.721 20.580 1.00 15.84 O ATOM 638 CB TYR A 38 9.858 18.700 19.021 1.00 13.48 C ATOM 639 CG TYR A 38 11.299 18.705 18.534 1.00 12.71 C ATOM 640 CD1 TYR A 38 12.361 18.410 19.412 1.00 13.92 C ATOM 641 CD2 TYR A 38 11.582 19.047 17.194 1.00 15.27 C ATOM 642 CE1 TYR A 38 13.691 18.478 18.962 1.00 14.18 C ATOM 643 CE2 TYR A 38 12.914 19.096 16.739 1.00 16.12 C ATOM 644 CZ TYR A 38 13.971 18.814 17.624 1.00 14.45 C ATOM 645 OH TYR A 38 15.263 18.868 17.186 1.00 16.66 O ATOM 646 H TYR A 38 10.212 15.567 19.995 1.00 0.00 H ATOM 647 HA TYR A 38 9.984 17.577 20.834 1.00 0.00 H ATOM 648 HB3 TYR A 38 9.743 19.619 19.587 1.00 0.00 H ATOM 649 HB2 TYR A 38 9.188 18.799 18.167 1.00 0.00 H ATOM 650 HD1 TYR A 38 12.166 18.150 20.441 1.00 0.00 H ATOM 651 HD2 TYR A 38 10.778 19.282 16.512 1.00 0.00 H ATOM 652 HE1 TYR A 38 14.491 18.269 19.654 1.00 0.00 H ATOM 653 HE2 TYR A 38 13.122 19.359 15.712 1.00 0.00 H ATOM 654 HH TYR A 38 15.885 18.636 17.860 1.00 0.00 H ATOM 655 N ASN A 39 7.251 16.470 20.528 1.00 13.71 N ATOM 656 CA ASN A 39 5.831 16.357 20.849 1.00 13.00 C ATOM 657 C ASN A 39 5.657 16.170 22.366 1.00 12.31 C ATOM 658 O ASN A 39 6.108 15.174 22.931 1.00 13.82 O ATOM 659 CB ASN A 39 5.298 15.109 20.101 1.00 14.34 C ATOM 660 CG ASN A 39 3.779 14.905 20.178 1.00 15.85 C ATOM 661 OD1 ASN A 39 3.024 15.816 20.515 1.00 15.88 O ATOM 662 ND2 ASN A 39 3.327 13.684 19.887 1.00 20.01 N ATOM 663 H ASN A 39 7.750 15.605 20.373 1.00 0.00 H ATOM 664 HA ASN A 39 5.296 17.241 20.507 1.00 0.00 H ATOM 665 HB3 ASN A 39 5.795 14.209 20.464 1.00 0.00 H ATOM 666 HB2 ASN A 39 5.556 15.188 19.044 1.00 0.00 H ATOM 667 HD22 ASN A 39 2.336 13.495 19.927 1.00 0.00 H ATOM 668 HD21 ASN A 39 3.973 12.956 19.619 1.00 0.00 H ATOM 669 N THR A 40 4.937 17.104 23.006 1.00 11.81 N ATOM 670 CA THR A 40 4.578 17.053 24.426 1.00 12.68 C ATOM 671 C THR A 40 3.457 16.040 24.723 1.00 12.56 C ATOM 672 O THR A 40 3.303 15.649 25.874 1.00 15.38 O ATOM 673 CB THR A 40 4.124 18.453 24.913 1.00 13.66 C ATOM 674 OG1 THR A 40 2.877 18.861 24.376 1.00 14.74 O ATOM 675 CG2 THR A 40 5.150 19.566 24.687 1.00 15.36 C ATOM 676 H THR A 40 4.588 17.891 22.473 1.00 0.00 H ATOM 677 HA THR A 40 5.458 16.756 24.998 1.00 0.00 H ATOM 678 HB THR A 40 3.977 18.371 25.990 1.00 0.00 H ATOM 679 HG1 THR A 40 2.513 19.514 24.958 1.00 0.00 H ATOM 680 HG21 THR A 40 4.817 20.492 25.156 1.00 0.00 H ATOM 681 HG22 THR A 40 6.114 19.304 25.122 1.00 0.00 H ATOM 682 HG23 THR A 40 5.307 19.766 23.627 1.00 0.00 H ATOM 683 N ARG A 41 2.681 15.614 23.712 1.00 13.38 N ATOM 684 CA ARG A 41 1.553 14.696 23.873 1.00 16.46 C ATOM 685 C ARG A 41 1.994 13.220 23.729 1.00 15.27 C ATOM 686 O ARG A 41 1.165 12.323 23.882 1.00 19.49 O ATOM 687 CB AARG A 41 0.524 15.025 22.767 0.50 17.28 C ATOM 688 CB BARG A 41 0.404 14.821 23.012 0.50 22.02 C ATOM 689 CG AARG A 41 -0.910 14.594 23.129 0.50 34.08 C ATOM 690 CG BARG A 41 0.422 13.915 21.782 0.50 26.26 C ATOM 691 CD AARG A 41 -1.870 14.553 21.929 0.50 39.13 C ATOM 692 CD BARG A 41 -0.248 12.591 22.038 0.50 43.32 C ATOM 693 NE AARG A 41 -2.548 13.250 21.871 0.50 41.14 N ATOM 694 NE BARG A 41 0.508 11.430 21.568 0.50 47.48 N ATOM 695 CZ AARG A 41 -3.641 12.897 22.569 0.50 39.71 C ATOM 696 CZ BARG A 41 0.547 10.269 22.215 0.50 46.49 C ATOM 697 NH1AARG A 41 -4.290 13.773 23.349 0.50 40.71 N ATOM 698 NH1BARG A 41 -0.229 10.057 23.275 0.50 39.83 N ATOM 699 NH2AARG A 41 -4.083 11.635 22.491 0.50 42.79 N1+ ATOM 700 NH2BARG A 41 1.362 9.292 21.816 0.50 40.93 N1+ ATOM 701 H ARG A 41 2.869 15.962 22.783 1.00 0.00 H ATOM 702 HA ARG A 41 1.094 14.842 24.853 1.00 0.00 H ATOM 703 HB3AARG A 41 0.834 14.563 21.828 0.50 0.00 H ATOM 704 HB3BARG A 41 0.402 15.864 22.694 0.50 0.00 H ATOM 705 HB2AARG A 41 0.509 16.099 22.573 0.50 0.00 H ATOM 706 HB2BARG A 41 -0.520 14.660 23.567 0.50 0.00 H ATOM 707 HG3AARG A 41 -1.302 15.280 23.880 0.50 0.00 H ATOM 708 HG3BARG A 41 1.453 13.745 21.472 0.50 0.00 H ATOM 709 HG2AARG A 41 -0.905 13.623 23.620 0.50 0.00 H ATOM 710 HG2BARG A 41 -0.076 14.419 20.953 0.50 0.00 H ATOM 711 HD3AARG A 41 -1.328 14.682 20.992 0.50 0.00 H ATOM 712 HD3BARG A 41 -1.235 12.590 21.576 0.50 0.00 H ATOM 713 HD2AARG A 41 -2.596 15.365 21.976 0.50 0.00 H ATOM 714 HD2BARG A 41 -0.445 12.486 23.105 0.50 0.00 H ATOM 715 HE AARG A 41 -2.088 12.545 21.314 0.50 0.00 H ATOM 716 HE BARG A 41 1.018 11.544 20.704 0.50 0.00 H ATOM 717 HH12AARG A 41 -5.106 13.491 23.873 0.50 0.00 H ATOM 718 HH12BARG A 41 -0.192 9.171 23.759 0.50 0.00 H ATOM 719 HH11AARG A 41 -3.962 14.725 23.419 0.50 0.00 H ATOM 720 HH11BARG A 41 -0.855 10.782 23.595 0.50 0.00 H ATOM 721 HH22AARG A 41 -4.898 11.345 23.011 0.50 0.00 H ATOM 722 HH22BARG A 41 1.382 8.415 22.316 0.50 0.00 H ATOM 723 HH21AARG A 41 -3.602 10.959 21.916 0.50 0.00 H ATOM 724 HH21BARG A 41 1.960 9.429 21.013 0.50 0.00 H ATOM 725 N ALA A 42 3.282 12.957 23.440 1.00 15.38 N ATOM 726 CA ALA A 42 3.851 11.629 23.216 1.00 15.24 C ATOM 727 C ALA A 42 3.746 10.734 24.460 1.00 14.57 C ATOM 728 O ALA A 42 4.080 11.158 25.567 1.00 14.15 O ATOM 729 CB ALA A 42 5.323 11.788 22.806 1.00 19.09 C ATOM 730 H ALA A 42 3.913 13.742 23.358 1.00 0.00 H ATOM 731 HA ALA A 42 3.308 11.165 22.390 1.00 0.00 H ATOM 732 HB1 ALA A 42 5.798 10.820 22.638 1.00 0.00 H ATOM 733 HB2 ALA A 42 5.411 12.357 21.881 1.00 0.00 H ATOM 734 HB3 ALA A 42 5.898 12.311 23.571 1.00 0.00 H ATOM 735 N THR A 43 3.292 9.491 24.248 1.00 16.63 N ATOM 736 CA THR A 43 3.186 8.428 25.243 1.00 16.63 C ATOM 737 C THR A 43 3.655 7.103 24.636 1.00 17.66 C ATOM 738 O THR A 43 3.359 6.811 23.476 1.00 23.52 O ATOM 739 CB THR A 43 1.779 8.351 25.892 1.00 21.44 C ATOM 740 OG1 THR A 43 0.784 8.040 24.935 1.00 28.38 O ATOM 741 CG2 THR A 43 1.367 9.600 26.681 1.00 24.72 C ATOM 742 H THR A 43 3.035 9.236 23.306 1.00 0.00 H ATOM 743 HA THR A 43 3.888 8.667 26.036 1.00 0.00 H ATOM 744 HB THR A 43 1.790 7.521 26.602 1.00 0.00 H ATOM 745 HG1 THR A 43 1.019 7.229 24.509 1.00 0.00 H ATOM 746 HG21 THR A 43 0.417 9.446 27.194 1.00 0.00 H ATOM 747 HG22 THR A 43 2.114 9.835 27.438 1.00 0.00 H ATOM 748 HG23 THR A 43 1.254 10.470 26.034 1.00 0.00 H ATOM 749 N ASN A 44 4.357 6.297 25.442 1.00 17.38 N ATOM 750 CA ASN A 44 4.852 4.970 25.094 1.00 17.36 C ATOM 751 C ASN A 44 4.643 4.064 26.306 1.00 16.77 C ATOM 752 O ASN A 44 5.341 4.224 27.305 1.00 16.39 O ATOM 753 CB ASN A 44 6.325 5.076 24.637 1.00 21.27 C ATOM 754 CG ASN A 44 6.951 3.722 24.292 1.00 33.34 C ATOM 755 OD1 ASN A 44 6.508 3.049 23.365 1.00 40.32 O ATOM 756 ND2 ASN A 44 7.954 3.303 25.068 1.00 43.32 N ATOM 757 H ASN A 44 4.574 6.629 26.373 1.00 0.00 H ATOM 758 HA ASN A 44 4.265 4.563 24.268 1.00 0.00 H ATOM 759 HB3 ASN A 44 6.923 5.557 25.410 1.00 0.00 H ATOM 760 HB2 ASN A 44 6.396 5.717 23.758 1.00 0.00 H ATOM 761 HD22 ASN A 44 8.376 2.401 24.903 1.00 0.00 H ATOM 762 HD21 ASN A 44 8.273 3.870 25.846 1.00 0.00 H ATOM 763 N TYR A 45 3.719 3.097 26.196 1.00 20.06 N ATOM 764 CA TYR A 45 3.510 2.055 27.196 1.00 19.26 C ATOM 765 C TYR A 45 4.518 0.924 26.949 1.00 18.33 C ATOM 766 O TYR A 45 4.603 0.376 25.850 1.00 21.79 O ATOM 767 CB TYR A 45 2.080 1.487 27.063 1.00 21.83 C ATOM 768 CG TYR A 45 1.736 0.396 28.070 1.00 20.44 C ATOM 769 CD1 TYR A 45 1.811 0.664 29.452 1.00 22.19 C ATOM 770 CD2 TYR A 45 1.363 -0.894 27.637 1.00 22.96 C ATOM 771 CE1 TYR A 45 1.512 -0.334 30.396 1.00 21.20 C ATOM 772 CE2 TYR A 45 1.060 -1.896 28.580 1.00 22.77 C ATOM 773 CZ TYR A 45 1.134 -1.616 29.959 1.00 22.00 C ATOM 774 OH TYR A 45 0.839 -2.586 30.870 1.00 25.95 O ATOM 775 H TYR A 45 3.200 3.020 25.333 1.00 0.00 H ATOM 776 HA TYR A 45 3.639 2.471 28.196 1.00 0.00 H ATOM 777 HB3 TYR A 45 1.915 1.110 26.052 1.00 0.00 H ATOM 778 HB2 TYR A 45 1.359 2.294 27.200 1.00 0.00 H ATOM 779 HD1 TYR A 45 2.112 1.637 29.794 1.00 0.00 H ATOM 780 HD2 TYR A 45 1.311 -1.121 26.582 1.00 0.00 H ATOM 781 HE1 TYR A 45 1.576 -0.109 31.450 1.00 0.00 H ATOM 782 HE2 TYR A 45 0.775 -2.881 28.242 1.00 0.00 H ATOM 783 HH TYR A 45 0.869 -2.274 31.761 1.00 0.00 H ATOM 784 N ASN A 46 5.257 0.578 28.007 1.00 17.53 N ATOM 785 CA ASN A 46 6.203 -0.526 28.075 1.00 18.07 C ATOM 786 C ASN A 46 5.456 -1.679 28.755 1.00 16.83 C ATOM 787 O ASN A 46 5.269 -1.681 29.972 1.00 18.09 O ATOM 788 CB ASN A 46 7.410 -0.096 28.945 1.00 19.02 C ATOM 789 CG ASN A 46 8.137 1.129 28.380 1.00 21.80 C ATOM 790 OD1 ASN A 46 8.721 1.060 27.302 1.00 27.14 O ATOM 791 ND2 ASN A 46 8.068 2.261 29.084 1.00 24.42 N ATOM 792 H ASN A 46 5.098 1.076 28.875 1.00 0.00 H ATOM 793 HA ASN A 46 6.546 -0.823 27.082 1.00 0.00 H ATOM 794 HB3 ASN A 46 8.128 -0.913 29.022 1.00 0.00 H ATOM 795 HB2 ASN A 46 7.089 0.126 29.962 1.00 0.00 H ATOM 796 HD22 ASN A 46 8.499 3.103 28.714 1.00 0.00 H ATOM 797 HD21 ASN A 46 7.590 2.278 29.973 1.00 0.00 H ATOM 798 N ALA A 47 4.998 -2.649 27.950 1.00 19.59 N ATOM 799 CA ALA A 47 4.173 -3.777 28.385 1.00 23.80 C ATOM 800 C ALA A 47 4.937 -4.814 29.227 1.00 22.64 C ATOM 801 O ALA A 47 4.307 -5.558 29.978 1.00 24.61 O ATOM 802 CB ALA A 47 3.613 -4.470 27.132 1.00 27.76 C ATOM 803 H ALA A 47 5.174 -2.564 26.959 1.00 0.00 H ATOM 804 HA ALA A 47 3.347 -3.399 28.988 1.00 0.00 H ATOM 805 HB1 ALA A 47 2.962 -5.304 27.398 1.00 0.00 H ATOM 806 HB2 ALA A 47 3.021 -3.775 26.537 1.00 0.00 H ATOM 807 HB3 ALA A 47 4.409 -4.859 26.495 1.00 0.00 H ATOM 808 N GLY A 48 6.277 -4.848 29.126 1.00 19.99 N ATOM 809 CA GLY A 48 7.144 -5.792 29.825 1.00 22.07 C ATOM 810 C GLY A 48 7.295 -5.529 31.328 1.00 19.81 C ATOM 811 O GLY A 48 7.519 -6.479 32.077 1.00 24.08 O ATOM 812 H GLY A 48 6.719 -4.192 28.499 1.00 0.00 H ATOM 813 HA3 GLY A 48 8.134 -5.748 29.370 1.00 0.00 H ATOM 814 HA2 GLY A 48 6.777 -6.808 29.669 1.00 0.00 H ATOM 815 N ASP A 49 7.142 -4.270 31.772 1.00 18.77 N ATOM 816 CA ASP A 49 7.290 -3.849 33.169 1.00 20.35 C ATOM 817 C ASP A 49 6.078 -3.038 33.666 1.00 17.80 C ATOM 818 O ASP A 49 6.007 -2.741 34.855 1.00 21.18 O ATOM 819 CB ASP A 49 8.669 -3.165 33.377 1.00 20.26 C ATOM 820 CG ASP A 49 8.845 -1.756 32.787 1.00 24.33 C ATOM 821 OD1 ASP A 49 8.005 -1.345 31.958 1.00 19.65 O ATOM 822 OD2 ASP A 49 9.807 -1.086 33.222 1.00 32.10 O1- ATOM 823 H ASP A 49 6.976 -3.541 31.092 1.00 0.00 H ATOM 824 HA ASP A 49 7.292 -4.736 33.804 1.00 0.00 H ATOM 825 HB3 ASP A 49 9.457 -3.799 32.968 1.00 0.00 H ATOM 826 HB2 ASP A 49 8.872 -3.106 34.446 1.00 0.00 H ATOM 827 N ARG A 50 5.135 -2.684 32.775 1.00 19.86 N ATOM 828 CA ARG A 50 3.870 -1.990 33.042 1.00 19.68 C ATOM 829 C ARG A 50 4.033 -0.480 33.281 1.00 18.06 C ATOM 830 O ARG A 50 3.120 0.158 33.807 1.00 22.50 O ATOM 831 CB ARG A 50 2.985 -2.711 34.087 1.00 26.39 C ATOM 832 CG ARG A 50 2.610 -4.140 33.667 1.00 33.44 C ATOM 833 CD ARG A 50 1.799 -4.882 34.738 1.00 35.73 C ATOM 834 NE ARG A 50 2.615 -5.920 35.384 1.00 39.51 N ATOM 835 CZ ARG A 50 2.167 -7.070 35.916 1.00 35.58 C ATOM 836 NH1 ARG A 50 0.863 -7.382 35.920 1.00 54.84 N ATOM 837 NH2 ARG A 50 3.047 -7.923 36.454 1.00 33.65 N1+ ATOM 838 H ARG A 50 5.300 -2.934 31.810 1.00 0.00 H ATOM 839 HA ARG A 50 3.335 -2.045 32.094 1.00 0.00 H ATOM 840 HB3 ARG A 50 2.060 -2.151 34.234 1.00 0.00 H ATOM 841 HB2 ARG A 50 3.473 -2.725 35.061 1.00 0.00 H ATOM 842 HG3 ARG A 50 3.509 -4.707 33.421 1.00 0.00 H ATOM 843 HG2 ARG A 50 2.033 -4.103 32.743 1.00 0.00 H ATOM 844 HD3 ARG A 50 0.944 -5.355 34.255 1.00 0.00 H ATOM 845 HD2 ARG A 50 1.399 -4.203 35.492 1.00 0.00 H ATOM 846 HE ARG A 50 3.603 -5.720 35.443 1.00 0.00 H ATOM 847 HH12 ARG A 50 0.541 -8.250 36.323 1.00 0.00 H ATOM 848 HH11 ARG A 50 0.191 -6.744 35.519 1.00 0.00 H ATOM 849 HH22 ARG A 50 2.734 -8.793 36.859 1.00 0.00 H ATOM 850 HH21 ARG A 50 4.034 -7.709 36.453 1.00 0.00 H ATOM 851 N SER A 51 5.183 0.090 32.883 1.00 16.75 N ATOM 852 CA SER A 51 5.462 1.518 32.950 1.00 15.62 C ATOM 853 C SER A 51 5.048 2.221 31.644 1.00 15.04 C ATOM 854 O SER A 51 4.871 1.578 30.612 1.00 16.06 O ATOM 855 CB SER A 51 6.972 1.720 33.232 1.00 14.40 C ATOM 856 OG SER A 51 7.816 1.426 32.140 1.00 15.71 O ATOM 857 H SER A 51 5.879 -0.497 32.441 1.00 0.00 H ATOM 858 HA SER A 51 4.884 1.929 33.775 1.00 0.00 H ATOM 859 HB3 SER A 51 7.286 1.138 34.096 1.00 0.00 H ATOM 860 HB2 SER A 51 7.170 2.759 33.482 1.00 0.00 H ATOM 861 HG SER A 51 7.863 0.481 32.033 1.00 0.00 H ATOM 862 N THR A 52 4.902 3.551 31.703 1.00 13.80 N ATOM 863 CA THR A 52 4.616 4.447 30.587 1.00 11.94 C ATOM 864 C THR A 52 5.618 5.607 30.653 1.00 12.46 C ATOM 865 O THR A 52 5.857 6.175 31.719 1.00 13.36 O ATOM 866 CB THR A 52 3.147 4.949 30.619 1.00 13.80 C ATOM 867 OG1 THR A 52 2.243 3.872 30.708 1.00 15.81 O ATOM 868 CG2 THR A 52 2.745 5.778 29.386 1.00 13.89 C ATOM 869 H THR A 52 5.040 4.008 32.594 1.00 0.00 H ATOM 870 HA THR A 52 4.778 3.903 29.661 1.00 0.00 H ATOM 871 HB THR A 52 2.983 5.556 31.502 1.00 0.00 H ATOM 872 HG1 THR A 52 2.429 3.402 31.507 1.00 0.00 H ATOM 873 HG21 THR A 52 1.701 6.086 29.447 1.00 0.00 H ATOM 874 HG22 THR A 52 3.338 6.688 29.302 1.00 0.00 H ATOM 875 HG23 THR A 52 2.870 5.209 28.465 1.00 0.00 H ATOM 876 N ASP A 53 6.173 5.970 29.493 1.00 12.43 N ATOM 877 CA ASP A 53 7.020 7.141 29.287 1.00 12.59 C ATOM 878 C ASP A 53 6.132 8.285 28.784 1.00 12.09 C ATOM 879 O ASP A 53 5.329 8.079 27.874 1.00 13.31 O ATOM 880 CB ASP A 53 8.059 6.815 28.199 1.00 14.50 C ATOM 881 CG ASP A 53 8.927 5.598 28.516 1.00 17.20 C ATOM 882 OD1 ASP A 53 9.492 5.572 29.631 1.00 20.85 O ATOM 883 OD2 ASP A 53 8.990 4.698 27.649 1.00 22.38 O1- ATOM 884 H ASP A 53 5.935 5.434 28.668 1.00 0.00 H ATOM 885 HA ASP A 53 7.527 7.429 30.207 1.00 0.00 H ATOM 886 HB3 ASP A 53 8.712 7.670 28.062 1.00 0.00 H ATOM 887 HB2 ASP A 53 7.564 6.644 27.245 1.00 0.00 H ATOM 888 N TYR A 54 6.259 9.471 29.397 1.00 12.07 N ATOM 889 CA TYR A 54 5.388 10.625 29.179 1.00 11.10 C ATOM 890 C TYR A 54 6.171 11.851 28.708 1.00 11.14 C ATOM 891 O TYR A 54 7.217 12.187 29.265 1.00 11.73 O ATOM 892 CB TYR A 54 4.685 10.981 30.500 1.00 13.10 C ATOM 893 CG TYR A 54 3.622 9.999 30.937 1.00 11.22 C ATOM 894 CD1 TYR A 54 3.943 8.955 31.824 1.00 13.36 C ATOM 895 CD2 TYR A 54 2.297 10.151 30.483 1.00 13.72 C ATOM 896 CE1 TYR A 54 2.929 8.093 32.277 1.00 12.26 C ATOM 897 CE2 TYR A 54 1.290 9.268 30.917 1.00 13.52 C ATOM 898 CZ TYR A 54 1.607 8.238 31.821 1.00 12.36 C ATOM 899 OH TYR A 54 0.636 7.385 32.255 1.00 13.90 O ATOM 900 H TYR A 54 6.943 9.551 30.138 1.00 0.00 H ATOM 901 HA TYR A 54 4.625 10.403 28.430 1.00 0.00 H ATOM 902 HB3 TYR A 54 4.200 11.954 30.412 1.00 0.00 H ATOM 903 HB2 TYR A 54 5.419 11.087 31.300 1.00 0.00 H ATOM 904 HD1 TYR A 54 4.955 8.834 32.187 1.00 0.00 H ATOM 905 HD2 TYR A 54 2.053 10.953 29.807 1.00 0.00 H ATOM 906 HE1 TYR A 54 3.166 7.322 32.985 1.00 0.00 H ATOM 907 HE2 TYR A 54 0.277 9.391 30.564 1.00 0.00 H ATOM 908 HH TYR A 54 0.949 6.764 32.904 1.00 0.00 H ATOM 909 N GLY A 55 5.590 12.571 27.741 1.00 12.01 N ATOM 910 CA GLY A 55 5.983 13.918 27.368 1.00 11.22 C ATOM 911 C GLY A 55 7.107 14.004 26.342 1.00 11.31 C ATOM 912 O GLY A 55 7.490 13.015 25.716 1.00 11.64 O ATOM 913 H GLY A 55 4.754 12.204 27.305 1.00 0.00 H ATOM 914 HA3 GLY A 55 6.269 14.480 28.259 1.00 0.00 H ATOM 915 HA2 GLY A 55 5.109 14.411 26.957 1.00 0.00 H ATOM 916 N ILE A 56 7.620 15.233 26.184 1.00 11.13 N ATOM 917 CA ILE A 56 8.656 15.627 25.230 1.00 11.06 C ATOM 918 C ILE A 56 10.033 14.979 25.503 1.00 10.21 C ATOM 919 O ILE A 56 10.828 14.830 24.576 1.00 12.58 O ATOM 920 CB ILE A 56 8.724 17.180 25.197 1.00 12.23 C ATOM 921 CG1 ILE A 56 9.491 17.705 23.964 1.00 12.28 C ATOM 922 CG2 ILE A 56 9.258 17.807 26.504 1.00 13.92 C ATOM 923 CD1 ILE A 56 9.154 19.159 23.606 1.00 18.90 C ATOM 924 H ILE A 56 7.230 15.973 26.749 1.00 0.00 H ATOM 925 HA ILE A 56 8.312 15.279 24.260 1.00 0.00 H ATOM 926 HB ILE A 56 7.695 17.522 25.079 1.00 0.00 H ATOM 927 HG13 ILE A 56 9.244 17.089 23.101 1.00 0.00 H ATOM 928 HG12 ILE A 56 10.566 17.600 24.113 1.00 0.00 H ATOM 929 HG21 ILE A 56 9.135 18.890 26.505 1.00 0.00 H ATOM 930 HG22 ILE A 56 8.729 17.429 27.380 1.00 0.00 H ATOM 931 HG23 ILE A 56 10.319 17.603 26.644 1.00 0.00 H ATOM 932 HD11 ILE A 56 9.667 19.459 22.693 1.00 0.00 H ATOM 933 HD12 ILE A 56 8.085 19.284 23.432 1.00 0.00 H ATOM 934 HD13 ILE A 56 9.451 19.850 24.394 1.00 0.00 H ATOM 935 N PHE A 57 10.299 14.574 26.754 1.00 10.80 N ATOM 936 CA PHE A 57 11.529 13.900 27.168 1.00 11.58 C ATOM 937 C PHE A 57 11.314 12.404 27.446 1.00 12.60 C ATOM 938 O PHE A 57 12.305 11.710 27.660 1.00 14.93 O ATOM 939 CB PHE A 57 12.056 14.582 28.449 1.00 13.21 C ATOM 940 CG PHE A 57 12.533 16.012 28.259 1.00 13.29 C ATOM 941 CD1 PHE A 57 13.538 16.305 27.311 1.00 15.83 C ATOM 942 CD2 PHE A 57 11.982 17.052 29.037 1.00 17.07 C ATOM 943 CE1 PHE A 57 13.989 17.628 27.143 1.00 21.11 C ATOM 944 CE2 PHE A 57 12.436 18.375 28.872 1.00 22.69 C ATOM 945 CZ PHE A 57 13.441 18.661 27.927 1.00 22.40 C ATOM 946 H PHE A 57 9.599 14.734 27.463 1.00 0.00 H ATOM 947 HA PHE A 57 12.292 13.960 26.391 1.00 0.00 H ATOM 948 HB3 PHE A 57 12.901 14.023 28.856 1.00 0.00 H ATOM 949 HB2 PHE A 57 11.284 14.562 29.219 1.00 0.00 H ATOM 950 HD1 PHE A 57 13.973 15.518 26.713 1.00 0.00 H ATOM 951 HD2 PHE A 57 11.216 16.841 29.769 1.00 0.00 H ATOM 952 HE1 PHE A 57 14.763 17.848 26.422 1.00 0.00 H ATOM 953 HE2 PHE A 57 12.017 19.167 29.475 1.00 0.00 H ATOM 954 HZ PHE A 57 13.800 19.670 27.809 1.00 0.00 H ATOM 955 N GLN A 58 10.062 11.899 27.449 1.00 11.15 N ATOM 956 CA GLN A 58 9.692 10.489 27.653 1.00 11.59 C ATOM 957 C GLN A 58 10.132 9.981 29.038 1.00 12.28 C ATOM 958 O GLN A 58 10.837 8.980 29.165 1.00 16.38 O ATOM 959 CB GLN A 58 10.185 9.606 26.482 1.00 12.66 C ATOM 960 CG GLN A 58 9.405 9.819 25.176 1.00 12.90 C ATOM 961 CD GLN A 58 7.981 9.266 25.222 1.00 13.93 C ATOM 962 OE1 GLN A 58 7.771 8.064 25.092 1.00 15.93 O ATOM 963 NE2 GLN A 58 6.992 10.143 25.388 1.00 13.81 N ATOM 964 H GLN A 58 9.303 12.534 27.245 1.00 0.00 H ATOM 965 HA GLN A 58 8.605 10.450 27.676 1.00 0.00 H ATOM 966 HB3 GLN A 58 10.146 8.546 26.729 1.00 0.00 H ATOM 967 HB2 GLN A 58 11.240 9.798 26.307 1.00 0.00 H ATOM 968 HG3 GLN A 58 9.932 9.275 24.396 1.00 0.00 H ATOM 969 HG2 GLN A 58 9.401 10.870 24.884 1.00 0.00 H ATOM 970 HE22 GLN A 58 6.037 9.819 25.434 1.00 0.00 H ATOM 971 HE21 GLN A 58 7.198 11.130 25.480 1.00 0.00 H ATOM 972 N ILE A 59 9.735 10.727 30.076 1.00 11.14 N ATOM 973 CA ILE A 59 10.063 10.493 31.478 1.00 12.69 C ATOM 974 C ILE A 59 9.150 9.372 32.009 1.00 11.92 C ATOM 975 O ILE A 59 7.924 9.460 31.920 1.00 12.81 O ATOM 976 CB ILE A 59 9.863 11.841 32.224 1.00 12.88 C ATOM 977 CG1 ILE A 59 10.981 12.842 31.837 1.00 16.58 C ATOM 978 CG2 ILE A 59 9.789 11.699 33.754 1.00 15.82 C ATOM 979 CD1 ILE A 59 10.690 14.305 32.203 1.00 20.06 C ATOM 980 H ILE A 59 9.139 11.519 29.877 1.00 0.00 H ATOM 981 HA ILE A 59 11.107 10.185 31.566 1.00 0.00 H ATOM 982 HB ILE A 59 8.914 12.258 31.892 1.00 0.00 H ATOM 983 HG13 ILE A 59 11.155 12.804 30.762 1.00 0.00 H ATOM 984 HG12 ILE A 59 11.921 12.535 32.296 1.00 0.00 H ATOM 985 HG21 ILE A 59 9.595 12.660 34.220 1.00 0.00 H ATOM 986 HG22 ILE A 59 8.977 11.049 34.079 1.00 0.00 H ATOM 987 HG23 ILE A 59 10.727 11.311 34.152 1.00 0.00 H ATOM 988 HD11 ILE A 59 11.481 14.958 31.834 1.00 0.00 H ATOM 989 HD12 ILE A 59 9.752 14.645 31.763 1.00 0.00 H ATOM 990 HD13 ILE A 59 10.631 14.453 33.280 1.00 0.00 H ATOM 991 N ASN A 60 9.783 8.316 32.543 1.00 13.13 N ATOM 992 CA ASN A 60 9.159 7.066 32.968 1.00 12.23 C ATOM 993 C ASN A 60 8.520 7.215 34.360 1.00 12.37 C ATOM 994 O ASN A 60 9.099 7.803 35.273 1.00 15.10 O ATOM 995 CB ASN A 60 10.267 5.991 33.022 1.00 14.92 C ATOM 996 CG ASN A 60 9.698 4.575 33.126 1.00 15.27 C ATOM 997 OD1 ASN A 60 9.567 4.036 34.221 1.00 18.11 O ATOM 998 ND2 ASN A 60 9.354 3.975 31.987 1.00 18.70 N ATOM 999 H ASN A 60 10.792 8.347 32.574 1.00 0.00 H ATOM 1000 HA ASN A 60 8.406 6.783 32.232 1.00 0.00 H ATOM 1001 HB3 ASN A 60 10.950 6.168 33.854 1.00 0.00 H ATOM 1002 HB2 ASN A 60 10.876 6.040 32.118 1.00 0.00 H ATOM 1003 HD22 ASN A 60 8.970 3.038 32.004 1.00 0.00 H ATOM 1004 HD21 ASN A 60 9.466 4.466 31.103 1.00 0.00 H ATOM 1005 N ASN A 61 7.321 6.639 34.509 1.00 12.35 N ATOM 1006 CA ASN A 61 6.473 6.736 35.697 1.00 12.09 C ATOM 1007 C ASN A 61 6.817 5.763 36.851 1.00 13.49 C ATOM 1008 O ASN A 61 6.159 5.811 37.890 1.00 15.29 O ATOM 1009 CB ASN A 61 5.000 6.527 35.267 1.00 0.00 C ATOM 1010 CG ASN A 61 4.669 5.223 34.540 1.00 0.00 C ATOM 1011 OD1 ASN A 61 3.677 5.136 33.832 1.00 0.00 O ATOM 1012 ND2 ASN A 61 5.466 4.177 34.709 1.00 0.00 N ATOM 1013 HB2 ASN A 61 4.324 6.633 36.117 1.00 0.00 H ATOM 1014 HB3 ASN A 61 4.745 7.330 34.580 1.00 0.00 H ATOM 1015 HD22 ASN A 61 5.189 3.283 34.335 1.00 0.00 H ATOM 1016 HD21 ASN A 61 6.274 4.247 35.313 1.00 0.00 H ATOM 1017 H ASN A 61 6.919 6.179 33.703 1.00 0.00 H ATOM 1018 HA ASN A 61 6.571 7.748 36.086 1.00 0.00 H ATOM 1019 N ARG A 62 7.796 4.853 36.686 1.00 15.46 N ATOM 1020 CA ARG A 62 8.241 3.987 37.783 1.00 16.61 C ATOM 1021 C ARG A 62 9.184 4.753 38.724 1.00 16.86 C ATOM 1022 O ARG A 62 9.243 4.437 39.909 1.00 26.96 O ATOM 1023 CB ARG A 62 8.966 2.736 37.235 1.00 19.91 C ATOM 1024 CG ARG A 62 9.537 1.825 38.345 1.00 26.96 C ATOM 1025 CD ARG A 62 9.807 0.389 37.897 1.00 41.99 C ATOM 1026 NE ARG A 62 8.588 -0.417 38.044 1.00 38.78 N ATOM 1027 CZ ARG A 62 7.846 -0.924 37.049 1.00 40.02 C ATOM 1028 NH1 ARG A 62 8.176 -0.747 35.767 1.00 45.48 N ATOM 1029 NH2 ARG A 62 6.743 -1.618 37.339 1.00 51.32 N1+ ATOM 1030 H ARG A 62 8.311 4.822 35.816 1.00 0.00 H ATOM 1031 HA ARG A 62 7.379 3.648 38.361 1.00 0.00 H ATOM 1032 HB3 ARG A 62 9.778 3.022 36.567 1.00 0.00 H ATOM 1033 HB2 ARG A 62 8.257 2.170 36.629 1.00 0.00 H ATOM 1034 HG3 ARG A 62 8.844 1.802 39.187 1.00 0.00 H ATOM 1035 HG2 ARG A 62 10.461 2.251 38.736 1.00 0.00 H ATOM 1036 HD3 ARG A 62 10.559 -0.052 38.553 1.00 0.00 H ATOM 1037 HD2 ARG A 62 10.224 0.354 36.891 1.00 0.00 H ATOM 1038 HE ARG A 62 8.268 -0.562 38.992 1.00 0.00 H ATOM 1039 HH12 ARG A 62 7.604 -1.151 35.038 1.00 0.00 H ATOM 1040 HH11 ARG A 62 9.025 -0.265 35.507 1.00 0.00 H ATOM 1041 HH22 ARG A 62 6.204 -2.043 36.592 1.00 0.00 H ATOM 1042 HH21 ARG A 62 6.425 -1.689 38.297 1.00 0.00 H ATOM 1043 N TYR A 63 9.917 5.747 38.206 1.00 17.34 N ATOM 1044 CA TYR A 63 10.992 6.411 38.930 1.00 17.97 C ATOM 1045 C TYR A 63 10.707 7.896 39.173 1.00 16.02 C ATOM 1046 O TYR A 63 11.190 8.423 40.172 1.00 19.73 O ATOM 1047 CB TYR A 63 12.298 6.219 38.135 1.00 25.58 C ATOM 1048 CG TYR A 63 12.691 4.762 37.953 1.00 28.37 C ATOM 1049 CD1 TYR A 63 13.089 3.991 39.065 1.00 32.48 C ATOM 1050 CD2 TYR A 63 12.614 4.161 36.679 1.00 34.89 C ATOM 1051 CE1 TYR A 63 13.401 2.627 38.906 1.00 37.71 C ATOM 1052 CE2 TYR A 63 12.927 2.798 36.519 1.00 35.23 C ATOM 1053 CZ TYR A 63 13.318 2.029 37.633 1.00 35.13 C ATOM 1054 OH TYR A 63 13.609 0.705 37.483 1.00 45.56 O ATOM 1055 H TYR A 63 9.807 5.965 37.226 1.00 0.00 H ATOM 1056 HA TYR A 63 11.146 5.959 39.910 1.00 0.00 H ATOM 1057 HB3 TYR A 63 13.122 6.734 38.632 1.00 0.00 H ATOM 1058 HB2 TYR A 63 12.201 6.680 37.153 1.00 0.00 H ATOM 1059 HD1 TYR A 63 13.144 4.440 40.046 1.00 0.00 H ATOM 1060 HD2 TYR A 63 12.298 4.738 35.821 1.00 0.00 H ATOM 1061 HE1 TYR A 63 13.697 2.039 39.762 1.00 0.00 H ATOM 1062 HE2 TYR A 63 12.856 2.345 35.540 1.00 0.00 H ATOM 1063 HH TYR A 63 13.552 0.411 36.586 1.00 0.00 H ATOM 1064 N TRP A 64 9.950 8.572 38.288 1.00 13.82 N ATOM 1065 CA TRP A 64 9.967 10.033 38.172 1.00 13.15 C ATOM 1066 C TRP A 64 8.610 10.693 38.427 1.00 11.80 C ATOM 1067 O TRP A 64 8.528 11.540 39.312 1.00 15.36 O ATOM 1068 CB TRP A 64 10.583 10.423 36.818 1.00 13.45 C ATOM 1069 CG TRP A 64 11.958 9.873 36.587 1.00 14.00 C ATOM 1070 CD1 TRP A 64 12.315 8.989 35.627 1.00 16.69 C ATOM 1071 CD2 TRP A 64 13.161 10.118 37.374 1.00 15.23 C ATOM 1072 NE1 TRP A 64 13.642 8.645 35.788 1.00 17.44 N ATOM 1073 CE2 TRP A 64 14.210 9.293 36.866 1.00 15.85 C ATOM 1074 CE3 TRP A 64 13.473 10.956 38.470 1.00 16.08 C ATOM 1075 CZ2 TRP A 64 15.494 9.277 37.438 1.00 17.87 C ATOM 1076 CZ3 TRP A 64 14.754 10.947 39.055 1.00 17.34 C ATOM 1077 CH2 TRP A 64 15.760 10.106 38.543 1.00 18.86 C ATOM 1078 H TRP A 64 9.545 8.062 37.516 1.00 0.00 H ATOM 1079 HA TRP A 64 10.628 10.452 38.932 1.00 0.00 H ATOM 1080 HB3 TRP A 64 10.639 11.507 36.730 1.00 0.00 H ATOM 1081 HB2 TRP A 64 9.931 10.086 36.015 1.00 0.00 H ATOM 1082 HD1 TRP A 64 11.643 8.590 34.881 1.00 0.00 H ATOM 1083 HE1 TRP A 64 14.113 7.987 35.182 1.00 0.00 H ATOM 1084 HE3 TRP A 64 12.714 11.613 38.866 1.00 0.00 H ATOM 1085 HZ2 TRP A 64 16.269 8.646 37.030 1.00 0.00 H ATOM 1086 HZ3 TRP A 64 14.969 11.589 39.896 1.00 0.00 H ATOM 1087 HH2 TRP A 64 16.743 10.116 38.984 1.00 0.00 H ATOM 1088 N CYS A 65 7.552 10.307 37.699 1.00 14.31 N ATOM 1089 CA CYS A 65 6.190 10.828 37.876 1.00 12.60 C ATOM 1090 C CYS A 65 5.259 9.705 38.359 1.00 14.32 C ATOM 1091 O CYS A 65 5.602 8.533 38.242 1.00 14.95 O ATOM 1092 CB CYS A 65 5.721 11.485 36.560 1.00 13.50 C ATOM 1093 SG CYS A 65 5.463 10.401 35.121 1.00 14.34 S ATOM 1094 H CYS A 65 7.681 9.590 37.000 1.00 0.00 H ATOM 1095 HA CYS A 65 6.174 11.607 38.639 1.00 0.00 H ATOM 1096 HB3 CYS A 65 6.453 12.240 36.272 1.00 0.00 H ATOM 1097 HB2 CYS A 65 4.797 12.035 36.739 1.00 0.00 H ATOM 1098 N ASN A 66 4.081 10.051 38.898 1.00 13.49 N ATOM 1099 CA ASN A 66 3.050 9.093 39.307 1.00 12.07 C ATOM 1100 C ASN A 66 1.860 9.189 38.343 1.00 13.15 C ATOM 1101 O ASN A 66 1.320 10.273 38.126 1.00 12.75 O ATOM 1102 CB ASN A 66 2.597 9.445 40.742 1.00 15.96 C ATOM 1103 CG ASN A 66 1.595 8.447 41.333 1.00 19.44 C ATOM 1104 OD1 ASN A 66 1.820 7.239 41.296 1.00 21.93 O ATOM 1105 ND2 ASN A 66 0.465 8.944 41.838 1.00 22.57 N ATOM 1106 H ASN A 66 3.867 11.035 39.001 1.00 0.00 H ATOM 1107 HA ASN A 66 3.438 8.072 39.301 1.00 0.00 H ATOM 1108 HB3 ASN A 66 2.197 10.460 40.785 1.00 0.00 H ATOM 1109 HB2 ASN A 66 3.461 9.426 41.399 1.00 0.00 H ATOM 1110 HD22 ASN A 66 -0.224 8.317 42.226 1.00 0.00 H ATOM 1111 HD21 ASN A 66 0.303 9.940 41.836 1.00 0.00 H ATOM 1112 N ASP A 67 1.424 8.035 37.819 1.00 12.42 N ATOM 1113 CA ASP A 67 0.180 7.868 37.061 1.00 13.42 C ATOM 1114 C ASP A 67 -0.808 6.954 37.817 1.00 13.40 C ATOM 1115 O ASP A 67 -1.927 6.754 37.346 1.00 16.86 O ATOM 1116 CB ASP A 67 0.496 7.357 35.632 1.00 12.34 C ATOM 1117 CG ASP A 67 0.971 5.906 35.471 1.00 13.28 C ATOM 1118 OD1 ASP A 67 1.406 5.285 36.468 1.00 14.28 O ATOM 1119 OD2 ASP A 67 0.867 5.434 34.319 1.00 14.87 O1- ATOM 1120 H ASP A 67 1.953 7.193 38.003 1.00 0.00 H ATOM 1121 HA ASP A 67 -0.323 8.831 36.955 1.00 0.00 H ATOM 1122 HB3 ASP A 67 1.242 8.000 35.168 1.00 0.00 H ATOM 1123 HB2 ASP A 67 -0.402 7.471 35.023 1.00 0.00 H ATOM 1124 N GLY A 68 -0.403 6.411 38.979 1.00 13.31 N ATOM 1125 CA GLY A 68 -1.209 5.599 39.885 1.00 14.71 C ATOM 1126 C GLY A 68 -1.421 4.135 39.475 1.00 17.90 C ATOM 1127 O GLY A 68 -1.966 3.381 40.280 1.00 27.90 O ATOM 1128 H GLY A 68 0.534 6.626 39.288 1.00 0.00 H ATOM 1129 HA3 GLY A 68 -2.185 6.068 40.021 1.00 0.00 H ATOM 1130 HA2 GLY A 68 -0.723 5.614 40.862 1.00 0.00 H ATOM 1131 N LYS A 69 -1.001 3.722 38.265 1.00 18.83 N ATOM 1132 CA LYS A 69 -1.240 2.385 37.709 1.00 17.60 C ATOM 1133 C LYS A 69 0.045 1.567 37.500 1.00 18.43 C ATOM 1134 O LYS A 69 -0.037 0.445 36.999 1.00 23.74 O ATOM 1135 CB LYS A 69 -2.082 2.485 36.414 1.00 20.00 C ATOM 1136 CG LYS A 69 -1.405 3.184 35.216 1.00 19.72 C ATOM 1137 CD LYS A 69 -2.120 2.886 33.886 1.00 28.11 C ATOM 1138 CE LYS A 69 -1.376 3.399 32.642 1.00 40.33 C ATOM 1139 NZ LYS A 69 -1.435 4.864 32.528 1.00 48.89 N1+ ATOM 1140 H LYS A 69 -0.537 4.394 37.667 1.00 0.00 H ATOM 1141 HA LYS A 69 -1.832 1.796 38.412 1.00 0.00 H ATOM 1142 HB3 LYS A 69 -3.026 2.985 36.632 1.00 0.00 H ATOM 1143 HB2 LYS A 69 -2.360 1.472 36.117 1.00 0.00 H ATOM 1144 HG3 LYS A 69 -0.366 2.867 35.127 1.00 0.00 H ATOM 1145 HG2 LYS A 69 -1.385 4.259 35.396 1.00 0.00 H ATOM 1146 HD3 LYS A 69 -3.137 3.278 33.909 1.00 0.00 H ATOM 1147 HD2 LYS A 69 -2.218 1.804 33.785 1.00 0.00 H ATOM 1148 HE3 LYS A 69 -1.829 2.975 31.745 1.00 0.00 H ATOM 1149 HE2 LYS A 69 -0.333 3.080 32.651 1.00 0.00 H ATOM 1150 HZ1 LYS A 69 -1.019 5.156 31.655 1.00 0.00 H ATOM 1151 HZ2 LYS A 69 -2.393 5.181 32.573 1.00 0.00 H ATOM 1152 HZ3 LYS A 69 -0.903 5.266 33.291 1.00 0.00 H ATOM 1153 N THR A 70 1.218 2.104 37.872 1.00 17.05 N ATOM 1154 CA THR A 70 2.511 1.444 37.700 1.00 18.01 C ATOM 1155 C THR A 70 2.947 0.830 39.046 1.00 19.16 C ATOM 1156 O THR A 70 3.076 1.575 40.021 1.00 22.32 O ATOM 1157 CB THR A 70 3.547 2.497 37.261 1.00 17.38 C ATOM 1158 OG1 THR A 70 3.131 2.940 35.989 1.00 16.08 O ATOM 1159 CG2 THR A 70 4.978 1.937 37.114 1.00 18.56 C ATOM 1160 H THR A 70 1.217 3.029 38.280 1.00 0.00 H ATOM 1161 HA THR A 70 2.454 0.705 36.902 1.00 0.00 H ATOM 1162 HB THR A 70 3.558 3.352 37.940 1.00 0.00 H ATOM 1163 HG1 THR A 70 2.384 3.515 36.094 1.00 0.00 H ATOM 1164 HG21 THR A 70 5.671 2.700 36.772 1.00 0.00 H ATOM 1165 HG22 THR A 70 5.380 1.586 38.063 1.00 0.00 H ATOM 1166 HG23 THR A 70 5.014 1.106 36.408 1.00 0.00 H ATOM 1167 N PRO A 71 3.214 -0.498 39.112 1.00 20.91 N ATOM 1168 CA PRO A 71 3.793 -1.169 40.288 1.00 23.96 C ATOM 1169 C PRO A 71 5.172 -0.599 40.675 1.00 23.90 C ATOM 1170 O PRO A 71 6.005 -0.354 39.802 1.00 25.80 O ATOM 1171 CB PRO A 71 3.966 -2.645 39.880 1.00 25.33 C ATOM 1172 CG PRO A 71 3.103 -2.850 38.647 1.00 29.02 C ATOM 1173 CD PRO A 71 2.881 -1.460 38.059 1.00 23.02 C ATOM 1174 HA PRO A 71 3.091 -1.085 41.119 1.00 0.00 H ATOM 1175 HB3 PRO A 71 3.684 -3.323 40.686 1.00 0.00 H ATOM 1176 HB2 PRO A 71 4.999 -2.881 39.618 1.00 0.00 H ATOM 1177 HG3 PRO A 71 2.142 -3.267 38.952 1.00 0.00 H ATOM 1178 HG2 PRO A 71 3.545 -3.542 37.930 1.00 0.00 H ATOM 1179 HD2 PRO A 71 3.549 -1.305 37.210 1.00 0.00 H ATOM 1180 HD3 PRO A 71 1.853 -1.355 37.711 1.00 0.00 H ATOM 1181 N GLY A 72 5.426 -0.421 41.980 1.00 31.25 N ATOM 1182 CA GLY A 72 6.722 -0.000 42.515 1.00 31.98 C ATOM 1183 C GLY A 72 7.136 1.439 42.169 1.00 28.73 C ATOM 1184 O GLY A 72 8.332 1.710 42.075 1.00 39.18 O ATOM 1185 H GLY A 72 4.698 -0.637 42.647 1.00 0.00 H ATOM 1186 HA3 GLY A 72 7.494 -0.690 42.171 1.00 0.00 H ATOM 1187 HA2 GLY A 72 6.688 -0.092 43.601 1.00 0.00 H ATOM 1188 N ALA A 73 6.159 2.339 41.949 1.00 25.80 N ATOM 1189 CA ALA A 73 6.365 3.744 41.597 1.00 26.10 C ATOM 1190 C ALA A 73 6.977 4.538 42.766 1.00 24.83 C ATOM 1191 O ALA A 73 6.511 4.431 43.901 1.00 28.55 O ATOM 1192 CB ALA A 73 5.016 4.361 41.202 1.00 30.47 C ATOM 1193 H ALA A 73 5.203 2.025 42.028 1.00 0.00 H ATOM 1194 HA ALA A 73 7.021 3.781 40.732 1.00 0.00 H ATOM 1195 HB1 ALA A 73 5.127 5.413 40.933 1.00 0.00 H ATOM 1196 HB2 ALA A 73 4.596 3.853 40.334 1.00 0.00 H ATOM 1197 HB3 ALA A 73 4.287 4.299 42.011 1.00 0.00 H ATOM 1198 N VAL A 74 8.026 5.321 42.472 1.00 25.08 N ATOM 1199 CA VAL A 74 8.804 6.101 43.439 1.00 27.99 C ATOM 1200 C VAL A 74 8.323 7.565 43.459 1.00 23.91 C ATOM 1201 O VAL A 74 8.184 8.130 44.542 1.00 27.27 O ATOM 1202 CB VAL A 74 10.307 6.029 43.038 1.00 26.11 C ATOM 1203 CG1 VAL A 74 11.230 6.921 43.896 1.00 30.20 C ATOM 1204 CG2 VAL A 74 10.830 4.579 43.074 1.00 34.73 C ATOM 1205 H VAL A 74 8.364 5.309 41.518 1.00 0.00 H ATOM 1206 HA VAL A 74 8.688 5.687 44.442 1.00 0.00 H ATOM 1207 HB VAL A 74 10.399 6.382 42.012 1.00 0.00 H ATOM 1208 HG11 VAL A 74 12.274 6.791 43.611 1.00 0.00 H ATOM 1209 HG12 VAL A 74 11.007 7.981 43.778 1.00 0.00 H ATOM 1210 HG13 VAL A 74 11.143 6.676 44.955 1.00 0.00 H ATOM 1211 HG21 VAL A 74 11.877 4.532 42.772 1.00 0.00 H ATOM 1212 HG22 VAL A 74 10.752 4.156 44.075 1.00 0.00 H ATOM 1213 HG23 VAL A 74 10.278 3.927 42.397 1.00 0.00 H ATOM 1214 N ASN A 75 8.096 8.175 42.278 1.00 22.30 N ATOM 1215 CA ASN A 75 7.641 9.558 42.073 1.00 17.58 C ATOM 1216 C ASN A 75 8.680 10.572 42.603 1.00 16.17 C ATOM 1217 O ASN A 75 8.369 11.398 43.461 1.00 16.46 O ATOM 1218 CB ASN A 75 6.209 9.763 42.643 1.00 17.90 C ATOM 1219 CG ASN A 75 5.540 11.075 42.207 1.00 18.28 C ATOM 1220 OD1 ASN A 75 5.943 11.700 41.229 1.00 18.76 O ATOM 1221 ND2 ASN A 75 4.528 11.518 42.955 1.00 19.69 N ATOM 1222 H ASN A 75 8.240 7.626 41.444 1.00 0.00 H ATOM 1223 HA ASN A 75 7.596 9.678 40.991 1.00 0.00 H ATOM 1224 HB3 ASN A 75 6.219 9.717 43.733 1.00 0.00 H ATOM 1225 HB2 ASN A 75 5.572 8.944 42.309 1.00 0.00 H ATOM 1226 HD22 ASN A 75 4.064 12.379 42.705 1.00 0.00 H ATOM 1227 HD21 ASN A 75 4.231 10.994 43.765 1.00 0.00 H ATOM 1228 N ALA A 76 9.926 10.490 42.109 1.00 15.78 N ATOM 1229 CA ALA A 76 11.055 11.297 42.577 1.00 15.84 C ATOM 1230 C ALA A 76 10.989 12.783 42.167 1.00 16.60 C ATOM 1231 O ALA A 76 11.641 13.602 42.815 1.00 18.71 O ATOM 1232 CB ALA A 76 12.352 10.690 42.028 1.00 19.70 C ATOM 1233 H ALA A 76 10.124 9.780 41.416 1.00 0.00 H ATOM 1234 HA ALA A 76 11.083 11.249 43.668 1.00 0.00 H ATOM 1235 HB1 ALA A 76 13.228 11.250 42.353 1.00 0.00 H ATOM 1236 HB2 ALA A 76 12.479 9.662 42.371 1.00 0.00 H ATOM 1237 HB3 ALA A 76 12.351 10.677 40.941 1.00 0.00 H ATOM 1238 N CYS A 77 10.192 13.146 41.145 1.00 15.43 N ATOM 1239 CA CYS A 77 9.925 14.538 40.760 1.00 15.15 C ATOM 1240 C CYS A 77 8.733 15.126 41.532 1.00 15.94 C ATOM 1241 O CYS A 77 8.594 16.348 41.567 1.00 16.72 O ATOM 1242 CB CYS A 77 9.573 14.611 39.262 1.00 15.14 C ATOM 1243 SG CYS A 77 10.928 14.121 38.168 1.00 14.34 S ATOM 1244 H CYS A 77 9.687 12.424 40.646 1.00 0.00 H ATOM 1245 HA CYS A 77 10.799 15.163 40.949 1.00 0.00 H ATOM 1246 HB3 CYS A 77 9.318 15.638 38.994 1.00 0.00 H ATOM 1247 HB2 CYS A 77 8.689 14.019 39.028 1.00 0.00 H ATOM 1248 N HIS A 78 7.876 14.276 42.130 1.00 15.99 N ATOM 1249 CA HIS A 78 6.707 14.638 42.940 1.00 16.71 C ATOM 1250 C HIS A 78 5.603 15.309 42.101 1.00 17.72 C ATOM 1251 O HIS A 78 4.946 16.246 42.552 1.00 18.21 O ATOM 1252 CB HIS A 78 7.090 15.384 44.239 1.00 25.66 C ATOM 1253 CG HIS A 78 7.909 14.539 45.184 1.00 30.49 C ATOM 1254 ND1 HIS A 78 9.276 14.356 45.050 1.00 33.57 N ATOM 1255 CD2 HIS A 78 7.538 13.760 46.259 1.00 31.11 C ATOM 1256 CE1 HIS A 78 9.657 13.508 46.009 1.00 32.40 C ATOM 1257 NE2 HIS A 78 8.656 13.107 46.783 1.00 35.66 N ATOM 1258 H HIS A 78 8.070 13.287 42.053 1.00 0.00 H ATOM 1259 HA HIS A 78 6.272 13.692 43.256 1.00 0.00 H ATOM 1260 HB3 HIS A 78 6.186 15.668 44.779 1.00 0.00 H ATOM 1261 HB2 HIS A 78 7.619 16.314 44.031 1.00 0.00 H ATOM 1262 HD1 HIS A 78 9.869 14.758 44.339 1.00 0.00 H ATOM 1263 HD2 HIS A 78 6.556 13.604 46.680 1.00 0.00 H ATOM 1264 HE1 HIS A 78 10.675 13.172 46.134 1.00 0.00 H ATOM 1265 N LEU A 79 5.442 14.828 40.858 1.00 15.10 N ATOM 1266 CA LEU A 79 4.465 15.271 39.873 1.00 16.14 C ATOM 1267 C LEU A 79 3.495 14.136 39.544 1.00 14.36 C ATOM 1268 O LEU A 79 3.860 12.960 39.562 1.00 16.77 O ATOM 1269 CB LEU A 79 5.190 15.633 38.556 1.00 20.57 C ATOM 1270 CG LEU A 79 5.962 16.963 38.550 1.00 27.66 C ATOM 1271 CD1 LEU A 79 6.744 17.083 37.236 1.00 29.20 C ATOM 1272 CD2 LEU A 79 5.041 18.183 38.722 1.00 32.17 C ATOM 1273 H LEU A 79 6.023 14.046 40.590 1.00 0.00 H ATOM 1274 HA LEU A 79 3.884 16.117 40.243 1.00 0.00 H ATOM 1275 HB3 LEU A 79 4.472 15.683 37.736 1.00 0.00 H ATOM 1276 HB2 LEU A 79 5.869 14.819 38.294 1.00 0.00 H ATOM 1277 HG LEU A 79 6.682 16.952 39.369 1.00 0.00 H ATOM 1278 HD11 LEU A 79 7.404 17.951 37.253 1.00 0.00 H ATOM 1279 HD12 LEU A 79 7.354 16.197 37.070 1.00 0.00 H ATOM 1280 HD13 LEU A 79 6.077 17.184 36.379 1.00 0.00 H ATOM 1281 HD21 LEU A 79 5.605 19.112 38.642 1.00 0.00 H ATOM 1282 HD22 LEU A 79 4.262 18.206 37.959 1.00 0.00 H ATOM 1283 HD23 LEU A 79 4.556 18.190 39.698 1.00 0.00 H ATOM 1284 N SER A 80 2.288 14.519 39.107 1.00 12.78 N ATOM 1285 CA SER A 80 1.426 13.676 38.289 1.00 13.23 C ATOM 1286 C SER A 80 2.019 13.633 36.868 1.00 12.09 C ATOM 1287 O SER A 80 2.479 14.658 36.364 1.00 12.94 O ATOM 1288 CB SER A 80 0.017 14.302 38.246 1.00 14.70 C ATOM 1289 OG SER A 80 -0.870 13.526 37.461 1.00 14.92 O ATOM 1290 H SER A 80 2.075 15.506 39.119 1.00 0.00 H ATOM 1291 HA SER A 80 1.373 12.680 38.725 1.00 0.00 H ATOM 1292 HB3 SER A 80 0.051 15.312 37.833 1.00 0.00 H ATOM 1293 HB2 SER A 80 -0.394 14.383 39.253 1.00 0.00 H ATOM 1294 HG SER A 80 -0.992 12.688 37.884 1.00 0.00 H ATOM 1295 N CYS A 81 1.986 12.464 36.209 1.00 12.15 N ATOM 1296 CA CYS A 81 2.469 12.289 34.835 1.00 11.82 C ATOM 1297 C CYS A 81 1.643 13.058 33.785 1.00 11.57 C ATOM 1298 O CYS A 81 2.130 13.280 32.678 1.00 13.13 O ATOM 1299 CB CYS A 81 2.452 10.803 34.463 1.00 13.14 C ATOM 1300 SG CYS A 81 3.564 9.705 35.376 1.00 13.20 S ATOM 1301 H CYS A 81 1.617 11.650 36.684 1.00 0.00 H ATOM 1302 HA CYS A 81 3.493 12.660 34.775 1.00 0.00 H ATOM 1303 HB3 CYS A 81 2.712 10.706 33.413 1.00 0.00 H ATOM 1304 HB2 CYS A 81 1.441 10.406 34.559 1.00 0.00 H ATOM 1305 N SER A 82 0.424 13.503 34.143 1.00 12.73 N ATOM 1306 CA SER A 82 -0.425 14.391 33.348 1.00 13.54 C ATOM 1307 C SER A 82 0.155 15.815 33.199 1.00 11.95 C ATOM 1308 O SER A 82 -0.179 16.498 32.231 1.00 13.03 O ATOM 1309 CB ASER A 82 -1.835 14.429 33.980 0.60 17.55 C ATOM 1310 CB BSER A 82 -1.700 14.550 34.238 0.40 15.56 C ATOM 1311 OG ASER A 82 -1.891 15.153 35.196 0.60 18.83 O ATOM 1312 OG BSER A 82 -2.531 15.491 33.556 0.40 19.98 O ATOM 1313 H SER A 82 0.101 13.277 35.073 1.00 0.00 H ATOM 1314 HA SER A 82 -0.510 13.959 32.349 1.00 0.00 H ATOM 1315 HB3ASER A 82 -2.210 13.418 34.148 0.60 0.00 H ATOM 1316 HB3BSER A 82 -1.519 14.897 35.255 0.40 0.00 H ATOM 1317 HB2ASER A 82 -2.529 14.902 33.285 0.60 0.00 H ATOM 1318 HB2BSER A 82 -2.227 13.600 34.328 0.40 0.00 H ATOM 1319 HG ASER A 82 -1.446 14.660 35.872 0.60 0.00 H ATOM 1320 HG BSER A 82 -3.355 15.598 34.036 0.40 0.00 H ATOM 1321 N ALA A 83 1.056 16.240 34.107 1.00 12.11 N ATOM 1322 CA ALA A 83 1.775 17.515 34.046 1.00 12.56 C ATOM 1323 C ALA A 83 2.854 17.529 32.946 1.00 13.55 C ATOM 1324 O ALA A 83 3.254 18.602 32.497 1.00 15.23 O ATOM 1325 CB ALA A 83 2.465 17.765 35.397 1.00 15.16 C ATOM 1326 H ALA A 83 1.295 15.619 34.868 1.00 0.00 H ATOM 1327 HA ALA A 83 1.056 18.313 33.858 1.00 0.00 H ATOM 1328 HB1 ALA A 83 2.923 18.754 35.428 1.00 0.00 H ATOM 1329 HB2 ALA A 83 1.751 17.715 36.220 1.00 0.00 H ATOM 1330 HB3 ALA A 83 3.254 17.038 35.594 1.00 0.00 H ATOM 1331 N LEU A 84 3.293 16.344 32.491 1.00 12.54 N ATOM 1332 CA LEU A 84 4.254 16.150 31.409 1.00 12.71 C ATOM 1333 C LEU A 84 3.557 16.062 30.034 1.00 13.40 C ATOM 1334 O LEU A 84 4.249 15.985 29.021 1.00 16.08 O ATOM 1335 CB LEU A 84 5.005 14.822 31.655 1.00 14.18 C ATOM 1336 CG LEU A 84 5.674 14.686 33.043 1.00 17.81 C ATOM 1337 CD1 LEU A 84 6.269 13.285 33.195 1.00 20.67 C ATOM 1338 CD2 LEU A 84 6.754 15.747 33.279 1.00 21.32 C ATOM 1339 H LEU A 84 2.903 15.509 32.906 1.00 0.00 H ATOM 1340 HA LEU A 84 4.965 16.976 31.378 1.00 0.00 H ATOM 1341 HB3 LEU A 84 5.766 14.688 30.884 1.00 0.00 H ATOM 1342 HB2 LEU A 84 4.312 13.991 31.524 1.00 0.00 H ATOM 1343 HG LEU A 84 4.921 14.796 33.823 1.00 0.00 H ATOM 1344 HD11 LEU A 84 6.815 13.177 34.131 1.00 0.00 H ATOM 1345 HD12 LEU A 84 5.482 12.534 33.174 1.00 0.00 H ATOM 1346 HD13 LEU A 84 6.952 13.064 32.377 1.00 0.00 H ATOM 1347 HD21 LEU A 84 7.231 15.618 34.251 1.00 0.00 H ATOM 1348 HD22 LEU A 84 7.528 15.673 32.516 1.00 0.00 H ATOM 1349 HD23 LEU A 84 6.340 16.756 33.256 1.00 0.00 H ATOM 1350 N LEU A 85 2.211 16.101 29.988 1.00 12.93 N ATOM 1351 CA LEU A 85 1.397 16.083 28.768 1.00 13.54 C ATOM 1352 C LEU A 85 0.789 17.461 28.437 1.00 13.88 C ATOM 1353 O LEU A 85 -0.016 17.564 27.511 1.00 16.87 O ATOM 1354 CB LEU A 85 0.290 15.013 28.900 1.00 13.39 C ATOM 1355 CG LEU A 85 0.797 13.559 29.019 1.00 13.51 C ATOM 1356 CD1 LEU A 85 -0.396 12.603 29.179 1.00 18.29 C ATOM 1357 CD2 LEU A 85 1.673 13.138 27.824 1.00 16.82 C ATOM 1358 H LEU A 85 1.713 16.169 30.864 1.00 0.00 H ATOM 1359 HA LEU A 85 2.012 15.840 27.911 1.00 0.00 H ATOM 1360 HB3 LEU A 85 -0.372 15.064 28.034 1.00 0.00 H ATOM 1361 HB2 LEU A 85 -0.335 15.248 29.763 1.00 0.00 H ATOM 1362 HG LEU A 85 1.404 13.475 29.921 1.00 0.00 H ATOM 1363 HD11 LEU A 85 -0.073 11.567 29.276 1.00 0.00 H ATOM 1364 HD12 LEU A 85 -0.979 12.848 30.067 1.00 0.00 H ATOM 1365 HD13 LEU A 85 -1.063 12.658 28.318 1.00 0.00 H ATOM 1366 HD21 LEU A 85 1.962 12.093 27.892 1.00 0.00 H ATOM 1367 HD22 LEU A 85 1.150 13.273 26.877 1.00 0.00 H ATOM 1368 HD23 LEU A 85 2.602 13.706 27.780 1.00 0.00 H ATOM 1369 N GLN A 86 1.207 18.524 29.144 1.00 14.21 N ATOM 1370 CA GLN A 86 0.832 19.915 28.885 1.00 14.01 C ATOM 1371 C GLN A 86 1.651 20.479 27.709 1.00 14.22 C ATOM 1372 O GLN A 86 2.785 20.058 27.480 1.00 16.42 O ATOM 1373 CB GLN A 86 1.199 20.758 30.124 1.00 15.40 C ATOM 1374 CG GLN A 86 0.404 20.414 31.393 1.00 18.36 C ATOM 1375 CD GLN A 86 0.755 21.382 32.525 1.00 22.98 C ATOM 1376 OE1 GLN A 86 0.187 22.467 32.615 1.00 25.88 O ATOM 1377 NE2 GLN A 86 1.693 20.990 33.388 1.00 27.04 N ATOM 1378 H GLN A 86 1.886 18.364 29.874 1.00 0.00 H ATOM 1379 HA GLN A 86 -0.236 19.992 28.673 1.00 0.00 H ATOM 1380 HB3 GLN A 86 1.055 21.817 29.899 1.00 0.00 H ATOM 1381 HB2 GLN A 86 2.261 20.635 30.342 1.00 0.00 H ATOM 1382 HG3 GLN A 86 0.594 19.387 31.705 1.00 0.00 H ATOM 1383 HG2 GLN A 86 -0.666 20.485 31.194 1.00 0.00 H ATOM 1384 HE22 GLN A 86 1.971 21.586 34.159 1.00 0.00 H ATOM 1385 HE21 GLN A 86 2.170 20.110 33.246 1.00 0.00 H ATOM 1386 N ASP A 87 1.098 21.482 27.004 1.00 13.89 N ATOM 1387 CA ASP A 87 1.798 22.253 25.965 1.00 14.61 C ATOM 1388 C ASP A 87 2.906 23.151 26.549 1.00 16.13 C ATOM 1389 O ASP A 87 3.907 23.394 25.874 1.00 20.65 O ATOM 1390 CB ASP A 87 0.802 23.146 25.184 1.00 15.52 C ATOM 1391 CG ASP A 87 -0.276 22.398 24.389 1.00 15.85 C ATOM 1392 OD1 ASP A 87 -0.116 21.176 24.171 1.00 18.46 O ATOM 1393 OD2 ASP A 87 -1.225 23.086 23.958 1.00 18.72 O1- ATOM 1394 H ASP A 87 0.154 21.763 27.229 1.00 0.00 H ATOM 1395 HA ASP A 87 2.273 21.557 25.272 1.00 0.00 H ATOM 1396 HB3 ASP A 87 1.344 23.771 24.473 1.00 0.00 H ATOM 1397 HB2 ASP A 87 0.302 23.831 25.871 1.00 0.00 H ATOM 1398 N ASN A 88 2.745 23.596 27.808 1.00 15.81 N ATOM 1399 CA ASN A 88 3.758 24.286 28.602 1.00 17.79 C ATOM 1400 C ASN A 88 4.645 23.203 29.242 1.00 16.08 C ATOM 1401 O ASN A 88 4.145 22.321 29.940 1.00 19.07 O ATOM 1402 CB ASN A 88 3.030 25.086 29.710 1.00 20.11 C ATOM 1403 CG ASN A 88 3.944 26.096 30.413 1.00 22.92 C ATOM 1404 OD1 ASN A 88 4.850 25.711 31.148 1.00 26.75 O ATOM 1405 ND2 ASN A 88 3.725 27.391 30.179 1.00 44.22 N ATOM 1406 H ASN A 88 1.896 23.335 28.288 1.00 0.00 H ATOM 1407 HA ASN A 88 4.343 24.955 27.966 1.00 0.00 H ATOM 1408 HB3 ASN A 88 2.590 24.424 30.459 1.00 0.00 H ATOM 1409 HB2 ASN A 88 2.191 25.630 29.272 1.00 0.00 H ATOM 1410 HD22 ASN A 88 4.311 28.082 30.625 1.00 0.00 H ATOM 1411 HD21 ASN A 88 2.970 27.677 29.573 1.00 0.00 H ATOM 1412 N ILE A 89 5.960 23.278 28.991 1.00 12.57 N ATOM 1413 CA ILE A 89 6.936 22.254 29.370 1.00 12.70 C ATOM 1414 C ILE A 89 7.727 22.623 30.642 1.00 11.43 C ATOM 1415 O ILE A 89 8.753 22.000 30.897 1.00 12.56 O ATOM 1416 CB ILE A 89 7.881 21.972 28.164 1.00 12.99 C ATOM 1417 CG1 ILE A 89 8.766 23.172 27.739 1.00 14.29 C ATOM 1418 CG2 ILE A 89 7.082 21.403 26.976 1.00 16.72 C ATOM 1419 CD1 ILE A 89 9.889 22.781 26.768 1.00 17.23 C ATOM 1420 H ILE A 89 6.295 24.040 28.420 1.00 0.00 H ATOM 1421 HA ILE A 89 6.422 21.320 29.605 1.00 0.00 H ATOM 1422 HB ILE A 89 8.559 21.174 28.471 1.00 0.00 H ATOM 1423 HG13 ILE A 89 9.237 23.622 28.613 1.00 0.00 H ATOM 1424 HG12 ILE A 89 8.153 23.956 27.293 1.00 0.00 H ATOM 1425 HG21 ILE A 89 7.736 21.034 26.186 1.00 0.00 H ATOM 1426 HG22 ILE A 89 6.460 20.566 27.291 1.00 0.00 H ATOM 1427 HG23 ILE A 89 6.425 22.154 26.538 1.00 0.00 H ATOM 1428 HD11 ILE A 89 10.561 23.617 26.582 1.00 0.00 H ATOM 1429 HD12 ILE A 89 10.489 21.964 27.169 1.00 0.00 H ATOM 1430 HD13 ILE A 89 9.489 22.464 25.805 1.00 0.00 H ATOM 1431 N ALA A 90 7.273 23.598 31.452 1.00 12.52 N ATOM 1432 CA ALA A 90 7.949 24.042 32.679 1.00 11.88 C ATOM 1433 C ALA A 90 8.095 22.937 33.743 1.00 12.16 C ATOM 1434 O ALA A 90 9.167 22.818 34.337 1.00 12.58 O ATOM 1435 CB ALA A 90 7.202 25.246 33.271 1.00 16.43 C ATOM 1436 H ALA A 90 6.415 24.071 31.200 1.00 0.00 H ATOM 1437 HA ALA A 90 8.951 24.371 32.400 1.00 0.00 H ATOM 1438 HB1 ALA A 90 7.688 25.604 34.179 1.00 0.00 H ATOM 1439 HB2 ALA A 90 7.181 26.077 32.567 1.00 0.00 H ATOM 1440 HB3 ALA A 90 6.171 24.995 33.525 1.00 0.00 H ATOM 1441 N ASP A 91 7.058 22.100 33.937 1.00 12.34 N ATOM 1442 CA ASP A 91 7.078 20.947 34.849 1.00 13.06 C ATOM 1443 C ASP A 91 7.868 19.760 34.271 1.00 13.27 C ATOM 1444 O ASP A 91 8.475 19.014 35.039 1.00 14.41 O ATOM 1445 CB ASP A 91 5.635 20.469 35.150 1.00 16.70 C ATOM 1446 CG ASP A 91 4.773 21.485 35.907 1.00 21.64 C ATOM 1447 OD1 ASP A 91 5.348 22.270 36.693 1.00 25.67 O ATOM 1448 OD2 ASP A 91 3.540 21.440 35.706 1.00 30.98 O1- ATOM 1449 H ASP A 91 6.208 22.265 33.417 1.00 0.00 H ATOM 1450 HA ASP A 91 7.561 21.241 35.783 1.00 0.00 H ATOM 1451 HB3 ASP A 91 5.659 19.563 35.756 1.00 0.00 H ATOM 1452 HB2 ASP A 91 5.127 20.203 34.222 1.00 0.00 H ATOM 1453 N ALA A 92 7.907 19.604 32.935 1.00 12.68 N ATOM 1454 CA ALA A 92 8.700 18.582 32.249 1.00 12.92 C ATOM 1455 C ALA A 92 10.202 18.892 32.296 1.00 11.99 C ATOM 1456 O ALA A 92 11.000 17.970 32.446 1.00 13.19 O ATOM 1457 CB ALA A 92 8.240 18.479 30.785 1.00 14.28 C ATOM 1458 H ALA A 92 7.397 20.261 32.363 1.00 0.00 H ATOM 1459 HA ALA A 92 8.552 17.627 32.745 1.00 0.00 H ATOM 1460 HB1 ALA A 92 8.785 17.698 30.254 1.00 0.00 H ATOM 1461 HB2 ALA A 92 7.180 18.230 30.727 1.00 0.00 H ATOM 1462 HB3 ALA A 92 8.391 19.412 30.243 1.00 0.00 H ATOM 1463 N VAL A 93 10.576 20.180 32.230 1.00 11.60 N ATOM 1464 CA VAL A 93 11.938 20.678 32.399 1.00 11.58 C ATOM 1465 C VAL A 93 12.384 20.585 33.870 1.00 10.95 C ATOM 1466 O VAL A 93 13.528 20.213 34.112 1.00 12.78 O ATOM 1467 CB VAL A 93 12.020 22.129 31.846 1.00 12.54 C ATOM 1468 CG1 VAL A 93 13.263 22.907 32.317 1.00 15.10 C ATOM 1469 CG2 VAL A 93 11.982 22.114 30.306 1.00 14.14 C ATOM 1470 H VAL A 93 9.853 20.872 32.076 1.00 0.00 H ATOM 1471 HA VAL A 93 12.613 20.049 31.816 1.00 0.00 H ATOM 1472 HB VAL A 93 11.149 22.688 32.192 1.00 0.00 H ATOM 1473 HG11 VAL A 93 13.465 23.764 31.680 1.00 0.00 H ATOM 1474 HG12 VAL A 93 13.149 23.271 33.338 1.00 0.00 H ATOM 1475 HG13 VAL A 93 14.146 22.276 32.285 1.00 0.00 H ATOM 1476 HG21 VAL A 93 11.963 23.123 29.899 1.00 0.00 H ATOM 1477 HG22 VAL A 93 12.858 21.616 29.896 1.00 0.00 H ATOM 1478 HG23 VAL A 93 11.106 21.593 29.921 1.00 0.00 H ATOM 1479 N ALA A 94 11.498 20.864 34.844 1.00 11.32 N ATOM 1480 CA ALA A 94 11.787 20.761 36.279 1.00 14.03 C ATOM 1481 C ALA A 94 12.049 19.312 36.728 1.00 11.77 C ATOM 1482 O ALA A 94 12.895 19.084 37.594 1.00 13.70 O ATOM 1483 CB ALA A 94 10.602 21.334 37.071 1.00 15.14 C ATOM 1484 H ALA A 94 10.573 21.176 34.579 1.00 0.00 H ATOM 1485 HA ALA A 94 12.676 21.356 36.496 1.00 0.00 H ATOM 1486 HB1 ALA A 94 10.792 21.303 38.144 1.00 0.00 H ATOM 1487 HB2 ALA A 94 10.420 22.375 36.803 1.00 0.00 H ATOM 1488 HB3 ALA A 94 9.683 20.778 36.881 1.00 0.00 H ATOM 1489 N CYS A 95 11.364 18.338 36.105 1.00 11.92 N ATOM 1490 CA CYS A 95 11.549 16.913 36.353 1.00 11.46 C ATOM 1491 C CYS A 95 12.728 16.342 35.547 1.00 10.97 C ATOM 1492 O CYS A 95 13.412 15.459 36.057 1.00 12.53 O ATOM 1493 CB CYS A 95 10.248 16.184 35.977 1.00 12.67 C ATOM 1494 SG CYS A 95 10.185 14.394 36.289 1.00 13.56 S ATOM 1495 H CYS A 95 10.675 18.607 35.415 1.00 0.00 H ATOM 1496 HA CYS A 95 11.740 16.764 37.416 1.00 0.00 H ATOM 1497 HB3 CYS A 95 10.004 16.352 34.927 1.00 0.00 H ATOM 1498 HB2 CYS A 95 9.441 16.635 36.548 1.00 0.00 H ATOM 1499 N ALA A 96 13.027 16.868 34.346 1.00 10.42 N ATOM 1500 CA ALA A 96 14.213 16.502 33.563 1.00 11.09 C ATOM 1501 C ALA A 96 15.511 16.992 34.227 1.00 11.76 C ATOM 1502 O ALA A 96 16.528 16.307 34.144 1.00 13.14 O ATOM 1503 CB ALA A 96 14.108 17.106 32.156 1.00 13.08 C ATOM 1504 H ALA A 96 12.421 17.581 33.962 1.00 0.00 H ATOM 1505 HA ALA A 96 14.253 15.414 33.475 1.00 0.00 H ATOM 1506 HB1 ALA A 96 14.978 16.854 31.550 1.00 0.00 H ATOM 1507 HB2 ALA A 96 13.234 16.721 31.633 1.00 0.00 H ATOM 1508 HB3 ALA A 96 14.028 18.192 32.188 1.00 0.00 H ATOM 1509 N LYS A 97 15.454 18.130 34.943 1.00 11.55 N ATOM 1510 CA LYS A 97 16.514 18.645 35.807 1.00 11.67 C ATOM 1511 C LYS A 97 16.748 17.729 37.019 1.00 11.49 C ATOM 1512 O LYS A 97 17.900 17.460 37.345 1.00 14.28 O ATOM 1513 CB LYS A 97 16.149 20.061 36.291 1.00 12.72 C ATOM 1514 CG LYS A 97 16.418 21.152 35.245 1.00 12.67 C ATOM 1515 CD LYS A 97 16.004 22.536 35.755 1.00 13.88 C ATOM 1516 CE LYS A 97 16.281 23.651 34.743 1.00 14.34 C ATOM 1517 NZ LYS A 97 15.906 24.958 35.301 1.00 16.93 N1+ ATOM 1518 H LYS A 97 14.586 18.650 34.928 1.00 0.00 H ATOM 1519 HA LYS A 97 17.440 18.701 35.233 1.00 0.00 H ATOM 1520 HB3 LYS A 97 16.728 20.308 37.182 1.00 0.00 H ATOM 1521 HB2 LYS A 97 15.105 20.094 36.600 1.00 0.00 H ATOM 1522 HG3 LYS A 97 15.896 20.928 34.318 1.00 0.00 H ATOM 1523 HG2 LYS A 97 17.475 21.163 34.986 1.00 0.00 H ATOM 1524 HD3 LYS A 97 16.534 22.748 36.685 1.00 0.00 H ATOM 1525 HD2 LYS A 97 14.940 22.524 36.000 1.00 0.00 H ATOM 1526 HE3 LYS A 97 15.715 23.483 33.827 1.00 0.00 H ATOM 1527 HE2 LYS A 97 17.336 23.673 34.467 1.00 0.00 H ATOM 1528 HZ1 LYS A 97 15.992 25.661 34.577 1.00 0.00 H ATOM 1529 HZ2 LYS A 97 14.945 24.930 35.611 1.00 0.00 H ATOM 1530 HZ3 LYS A 97 16.509 25.190 36.077 1.00 0.00 H ATOM 1531 N ARG A 98 15.673 17.213 37.648 1.00 12.01 N ATOM 1532 CA ARG A 98 15.730 16.234 38.738 1.00 12.87 C ATOM 1533 C ARG A 98 16.375 14.903 38.308 1.00 12.26 C ATOM 1534 O ARG A 98 17.182 14.371 39.069 1.00 14.55 O ATOM 1535 CB ARG A 98 14.318 16.027 39.345 1.00 13.46 C ATOM 1536 CG ARG A 98 14.161 14.871 40.359 1.00 14.92 C ATOM 1537 CD ARG A 98 15.007 15.024 41.632 1.00 17.52 C ATOM 1538 NE ARG A 98 15.049 13.775 42.408 1.00 17.98 N ATOM 1539 CZ ARG A 98 16.025 12.848 42.370 1.00 18.76 C ATOM 1540 NH1 ARG A 98 17.058 12.948 41.526 1.00 21.63 N ATOM 1541 NH2 ARG A 98 15.968 11.791 43.187 1.00 21.98 N1+ ATOM 1542 H ARG A 98 14.756 17.477 37.314 1.00 0.00 H ATOM 1543 HA ARG A 98 16.371 16.661 39.511 1.00 0.00 H ATOM 1544 HB3 ARG A 98 13.606 15.848 38.542 1.00 0.00 H ATOM 1545 HB2 ARG A 98 13.993 16.957 39.812 1.00 0.00 H ATOM 1546 HG3 ARG A 98 14.369 13.914 39.879 1.00 0.00 H ATOM 1547 HG2 ARG A 98 13.113 14.812 40.649 1.00 0.00 H ATOM 1548 HD3 ARG A 98 14.578 15.804 42.260 1.00 0.00 H ATOM 1549 HD2 ARG A 98 16.024 15.341 41.405 1.00 0.00 H ATOM 1550 HE ARG A 98 14.259 13.616 43.018 1.00 0.00 H ATOM 1551 HH12 ARG A 98 17.804 12.250 41.525 1.00 0.00 H ATOM 1552 HH11 ARG A 98 17.092 13.686 40.833 1.00 0.00 H ATOM 1553 HH22 ARG A 98 16.696 11.090 43.149 1.00 0.00 H ATOM 1554 HH21 ARG A 98 15.208 11.680 43.841 1.00 0.00 H ATOM 1555 N VAL A 99 16.061 14.394 37.100 1.00 11.86 N ATOM 1556 CA VAL A 99 16.635 13.174 36.512 1.00 12.33 C ATOM 1557 C VAL A 99 18.170 13.240 36.436 1.00 12.78 C ATOM 1558 O VAL A 99 18.843 12.298 36.852 1.00 14.35 O ATOM 1559 CB VAL A 99 16.001 12.882 35.119 1.00 12.64 C ATOM 1560 CG1 VAL A 99 16.699 11.742 34.344 1.00 14.52 C ATOM 1561 CG2 VAL A 99 14.497 12.567 35.201 1.00 14.42 C ATOM 1562 H VAL A 99 15.374 14.887 36.546 1.00 0.00 H ATOM 1563 HA VAL A 99 16.386 12.349 37.176 1.00 0.00 H ATOM 1564 HB VAL A 99 16.102 13.784 34.518 1.00 0.00 H ATOM 1565 HG11 VAL A 99 16.150 11.486 33.438 1.00 0.00 H ATOM 1566 HG12 VAL A 99 17.709 12.013 34.032 1.00 0.00 H ATOM 1567 HG13 VAL A 99 16.766 10.837 34.949 1.00 0.00 H ATOM 1568 HG21 VAL A 99 13.985 12.865 34.285 1.00 0.00 H ATOM 1569 HG22 VAL A 99 14.331 11.500 35.320 1.00 0.00 H ATOM 1570 HG23 VAL A 99 14.003 13.056 36.037 1.00 0.00 H ATOM 1571 N VAL A 100 18.713 14.358 35.924 1.00 13.05 N ATOM 1572 CA VAL A 100 20.145 14.521 35.685 1.00 12.65 C ATOM 1573 C VAL A 100 20.927 14.985 36.930 1.00 14.23 C ATOM 1574 O VAL A 100 22.153 15.026 36.853 1.00 17.68 O ATOM 1575 CB VAL A 100 20.380 15.483 34.490 1.00 12.79 C ATOM 1576 CG1 VAL A 100 19.714 14.942 33.214 1.00 14.07 C ATOM 1577 CG2 VAL A 100 19.962 16.941 34.738 1.00 14.57 C ATOM 1578 H VAL A 100 18.099 15.099 35.616 1.00 0.00 H ATOM 1579 HA VAL A 100 20.556 13.549 35.409 1.00 0.00 H ATOM 1580 HB VAL A 100 21.453 15.493 34.296 1.00 0.00 H ATOM 1581 HG11 VAL A 100 20.029 15.495 32.332 1.00 0.00 H ATOM 1582 HG12 VAL A 100 19.964 13.898 33.048 1.00 0.00 H ATOM 1583 HG13 VAL A 100 18.628 15.000 33.271 1.00 0.00 H ATOM 1584 HG21 VAL A 100 20.196 17.566 33.879 1.00 0.00 H ATOM 1585 HG22 VAL A 100 18.894 17.013 34.912 1.00 0.00 H ATOM 1586 HG23 VAL A 100 20.470 17.375 35.597 1.00 0.00 H ATOM 1587 N ARG A 101 20.267 15.274 38.072 1.00 15.12 N ATOM 1588 CA ARG A 101 20.930 15.489 39.368 1.00 17.78 C ATOM 1589 C ARG A 101 21.406 14.175 40.018 1.00 20.08 C ATOM 1590 O ARG A 101 22.267 14.234 40.897 1.00 23.74 O ATOM 1591 CB ARG A 101 20.012 16.246 40.355 1.00 18.42 C ATOM 1592 CG ARG A 101 19.953 17.760 40.075 1.00 18.87 C ATOM 1593 CD ARG A 101 19.425 18.598 41.248 1.00 18.67 C ATOM 1594 NE ARG A 101 18.055 18.238 41.643 1.00 20.24 N ATOM 1595 CZ ARG A 101 16.918 18.759 41.151 1.00 16.31 C ATOM 1596 NH1 ARG A 101 16.921 19.609 40.115 1.00 19.85 N ATOM 1597 NH2 ARG A 101 15.750 18.422 41.710 1.00 21.13 N1+ ATOM 1598 H ARG A 101 19.258 15.229 38.066 1.00 0.00 H ATOM 1599 HA ARG A 101 21.823 16.090 39.215 1.00 0.00 H ATOM 1600 HB3 ARG A 101 20.390 16.119 41.371 1.00 0.00 H ATOM 1601 HB2 ARG A 101 19.009 15.821 40.357 1.00 0.00 H ATOM 1602 HG3 ARG A 101 19.371 17.965 39.183 1.00 0.00 H ATOM 1603 HG2 ARG A 101 20.957 18.120 39.849 1.00 0.00 H ATOM 1604 HD3 ARG A 101 19.470 19.660 41.010 1.00 0.00 H ATOM 1605 HD2 ARG A 101 20.072 18.458 42.115 1.00 0.00 H ATOM 1606 HE ARG A 101 17.987 17.562 42.390 1.00 0.00 H ATOM 1607 HH12 ARG A 101 16.056 19.990 39.760 1.00 0.00 H ATOM 1608 HH11 ARG A 101 17.793 19.863 39.667 1.00 0.00 H ATOM 1609 HH22 ARG A 101 14.885 18.809 41.360 1.00 0.00 H ATOM 1610 HH21 ARG A 101 15.726 17.811 42.514 1.00 0.00 H ATOM 1611 N ASP A 102 20.934 13.003 39.552 1.00 17.13 N ATOM 1612 CA ASP A 102 21.527 11.699 39.876 1.00 18.60 C ATOM 1613 C ASP A 102 22.850 11.508 39.095 1.00 18.33 C ATOM 1614 O ASP A 102 22.997 12.101 38.022 1.00 17.88 O ATOM 1615 CB ASP A 102 20.553 10.550 39.512 1.00 25.63 C ATOM 1616 CG ASP A 102 19.377 10.372 40.480 1.00 29.45 C ATOM 1617 OD1 ASP A 102 19.199 11.224 41.379 1.00 31.08 O ATOM 1618 OD2 ASP A 102 18.675 9.352 40.320 1.00 39.39 O1- ATOM 1619 H ASP A 102 20.227 13.021 38.831 1.00 0.00 H ATOM 1620 HA ASP A 102 21.719 11.687 40.947 1.00 0.00 H ATOM 1621 HB3 ASP A 102 21.081 9.596 39.488 1.00 0.00 H ATOM 1622 HB2 ASP A 102 20.158 10.691 38.506 1.00 0.00 H ATOM 1623 N PRO A 103 23.815 10.707 39.617 1.00 21.13 N ATOM 1624 CA PRO A 103 25.160 10.483 39.042 1.00 24.39 C ATOM 1625 C PRO A 103 25.246 10.156 37.541 1.00 20.09 C ATOM 1626 O PRO A 103 26.218 10.541 36.893 1.00 18.73 O ATOM 1627 CB PRO A 103 25.751 9.314 39.844 1.00 27.01 C ATOM 1628 CG PRO A 103 25.064 9.386 41.191 1.00 27.24 C ATOM 1629 CD PRO A 103 23.697 9.999 40.899 1.00 23.20 C ATOM 1630 HA PRO A 103 25.743 11.385 39.235 1.00 0.00 H ATOM 1631 HB3 PRO A 103 26.836 9.372 39.928 1.00 0.00 H ATOM 1632 HB2 PRO A 103 25.509 8.355 39.381 1.00 0.00 H ATOM 1633 HG3 PRO A 103 25.628 10.053 41.844 1.00 0.00 H ATOM 1634 HG2 PRO A 103 24.997 8.417 41.687 1.00 0.00 H ATOM 1635 HD2 PRO A 103 22.945 9.214 40.816 1.00 0.00 H ATOM 1636 HD3 PRO A 103 23.418 10.657 41.722 1.00 0.00 H ATOM 1637 N GLN A 104 24.236 9.453 37.002 1.00 18.34 N ATOM 1638 CA GLN A 104 24.165 8.982 35.621 1.00 21.23 C ATOM 1639 C GLN A 104 24.032 10.139 34.607 1.00 17.94 C ATOM 1640 O GLN A 104 24.523 10.031 33.484 1.00 18.00 O ATOM 1641 CB GLN A 104 22.953 8.025 35.524 1.00 24.12 C ATOM 1642 CG GLN A 104 23.133 6.911 34.475 1.00 47.13 C ATOM 1643 CD GLN A 104 21.966 5.924 34.356 1.00 47.32 C ATOM 1644 OE1 GLN A 104 22.056 4.972 33.586 1.00 60.39 O ATOM 1645 NE2 GLN A 104 20.870 6.125 35.092 1.00 62.61 N ATOM 1646 H GLN A 104 23.476 9.189 37.612 1.00 0.00 H ATOM 1647 HA GLN A 104 25.085 8.433 35.412 1.00 0.00 H ATOM 1648 HB3 GLN A 104 22.039 8.592 35.331 1.00 0.00 H ATOM 1649 HB2 GLN A 104 22.801 7.541 36.491 1.00 0.00 H ATOM 1650 HG3 GLN A 104 24.035 6.339 34.699 1.00 0.00 H ATOM 1651 HG2 GLN A 104 23.282 7.356 33.494 1.00 0.00 H ATOM 1652 HE22 GLN A 104 20.098 5.477 35.023 1.00 0.00 H ATOM 1653 HE21 GLN A 104 20.816 6.914 35.719 1.00 0.00 H ATOM 1654 N GLY A 105 23.402 11.256 35.013 1.00 16.59 N ATOM 1655 CA GLY A 105 23.160 12.426 34.178 1.00 17.91 C ATOM 1656 C GLY A 105 22.122 12.131 33.092 1.00 15.90 C ATOM 1657 O GLY A 105 21.124 11.455 33.348 1.00 17.09 O ATOM 1658 H GLY A 105 23.054 11.289 35.962 1.00 0.00 H ATOM 1659 HA3 GLY A 105 24.099 12.761 33.734 1.00 0.00 H ATOM 1660 HA2 GLY A 105 22.802 13.240 34.806 1.00 0.00 H ATOM 1661 N ILE A 106 22.373 12.638 31.875 1.00 15.81 N ATOM 1662 CA ILE A 106 21.536 12.441 30.687 1.00 17.11 C ATOM 1663 C ILE A 106 21.655 11.018 30.078 1.00 15.80 C ATOM 1664 O ILE A 106 20.874 10.675 29.191 1.00 16.82 O ATOM 1665 CB ILE A 106 21.877 13.558 29.659 1.00 17.55 C ATOM 1666 CG1 ILE A 106 20.840 13.639 28.514 1.00 19.14 C ATOM 1667 CG2 ILE A 106 23.323 13.478 29.123 1.00 21.03 C ATOM 1668 CD1 ILE A 106 20.762 15.007 27.827 1.00 17.90 C ATOM 1669 H ILE A 106 23.210 13.188 31.753 1.00 0.00 H ATOM 1670 HA ILE A 106 20.499 12.570 30.997 1.00 0.00 H ATOM 1671 HB ILE A 106 21.794 14.498 30.203 1.00 0.00 H ATOM 1672 HG13 ILE A 106 19.848 13.418 28.906 1.00 0.00 H ATOM 1673 HG12 ILE A 106 21.043 12.871 27.771 1.00 0.00 H ATOM 1674 HG21 ILE A 106 23.545 14.309 28.453 1.00 0.00 H ATOM 1675 HG22 ILE A 106 24.053 13.519 29.930 1.00 0.00 H ATOM 1676 HG23 ILE A 106 23.497 12.557 28.569 1.00 0.00 H ATOM 1677 HD11 ILE A 106 20.050 14.985 27.003 1.00 0.00 H ATOM 1678 HD12 ILE A 106 20.426 15.773 28.526 1.00 0.00 H ATOM 1679 HD13 ILE A 106 21.724 15.312 27.419 1.00 0.00 H ATOM 1680 N ARG A 107 22.558 10.158 30.589 1.00 16.58 N ATOM 1681 CA ARG A 107 22.642 8.734 30.234 1.00 17.13 C ATOM 1682 C ARG A 107 21.521 7.899 30.877 1.00 20.36 C ATOM 1683 O ARG A 107 21.404 6.722 30.548 1.00 21.86 O ATOM 1684 CB ARG A 107 23.999 8.150 30.677 1.00 18.94 C ATOM 1685 CG ARG A 107 25.170 8.719 29.878 1.00 23.89 C ATOM 1686 CD ARG A 107 26.543 8.361 30.456 1.00 39.98 C ATOM 1687 NE ARG A 107 27.556 9.239 29.860 1.00 47.72 N ATOM 1688 CZ ARG A 107 27.765 10.519 30.214 1.00 67.00 C ATOM 1689 NH1 ARG A 107 27.121 11.080 31.250 1.00 74.07 N ATOM 1690 NH2 ARG A 107 28.626 11.255 29.502 1.00 64.71 N1+ ATOM 1691 H ARG A 107 23.160 10.486 31.331 1.00 0.00 H ATOM 1692 HA ARG A 107 22.549 8.628 29.151 1.00 0.00 H ATOM 1693 HB3 ARG A 107 24.012 7.064 30.566 1.00 0.00 H ATOM 1694 HB2 ARG A 107 24.154 8.342 31.734 1.00 0.00 H ATOM 1695 HG3 ARG A 107 25.077 9.804 29.815 1.00 0.00 H ATOM 1696 HG2 ARG A 107 25.104 8.350 28.854 1.00 0.00 H ATOM 1697 HD3 ARG A 107 26.787 7.321 30.241 1.00 0.00 H ATOM 1698 HD2 ARG A 107 26.560 8.475 31.541 1.00 0.00 H ATOM 1699 HE ARG A 107 28.059 8.863 29.067 1.00 0.00 H ATOM 1700 HH12 ARG A 107 27.293 12.042 31.504 1.00 0.00 H ATOM 1701 HH11 ARG A 107 26.472 10.534 31.800 1.00 0.00 H ATOM 1702 HH22 ARG A 107 28.803 12.218 29.746 1.00 0.00 H ATOM 1703 HH21 ARG A 107 29.121 10.846 28.722 1.00 0.00 H ATOM 1704 N ALA A 108 20.664 8.490 31.730 1.00 18.54 N ATOM 1705 CA ALA A 108 19.430 7.889 32.246 1.00 21.58 C ATOM 1706 C ALA A 108 18.442 7.492 31.133 1.00 18.41 C ATOM 1707 O ALA A 108 17.743 6.489 31.268 1.00 24.26 O ATOM 1708 CB ALA A 108 18.774 8.875 33.224 1.00 25.52 C ATOM 1709 H ALA A 108 20.827 9.460 31.963 1.00 0.00 H ATOM 1710 HA ALA A 108 19.694 6.981 32.786 1.00 0.00 H ATOM 1711 HB1 ALA A 108 17.858 8.463 33.649 1.00 0.00 H ATOM 1712 HB2 ALA A 108 19.443 9.107 34.053 1.00 0.00 H ATOM 1713 HB3 ALA A 108 18.519 9.815 32.732 1.00 0.00 H ATOM 1714 N TRP A 109 18.441 8.241 30.019 1.00 16.15 N ATOM 1715 CA TRP A 109 17.739 7.918 28.784 1.00 16.79 C ATOM 1716 C TRP A 109 18.708 7.185 27.845 1.00 15.57 C ATOM 1717 O TRP A 109 19.771 7.711 27.506 1.00 17.44 O ATOM 1718 CB TRP A 109 17.320 9.240 28.122 1.00 14.21 C ATOM 1719 CG TRP A 109 16.287 10.026 28.874 1.00 14.22 C ATOM 1720 CD1 TRP A 109 14.955 9.798 28.842 1.00 17.01 C ATOM 1721 CD2 TRP A 109 16.468 11.193 29.734 1.00 13.07 C ATOM 1722 NE1 TRP A 109 14.305 10.737 29.615 1.00 16.16 N ATOM 1723 CE2 TRP A 109 15.184 11.642 30.169 1.00 14.95 C ATOM 1724 CE3 TRP A 109 17.587 11.936 30.174 1.00 14.74 C ATOM 1725 CZ2 TRP A 109 15.017 12.783 30.974 1.00 16.94 C ATOM 1726 CZ3 TRP A 109 17.434 13.082 30.979 1.00 14.74 C ATOM 1727 CH2 TRP A 109 16.153 13.511 31.376 1.00 16.52 C ATOM 1728 H TRP A 109 19.058 9.040 29.990 1.00 0.00 H ATOM 1729 HA TRP A 109 16.856 7.305 28.975 1.00 0.00 H ATOM 1730 HB3 TRP A 109 16.918 9.034 27.131 1.00 0.00 H ATOM 1731 HB2 TRP A 109 18.185 9.885 27.958 1.00 0.00 H ATOM 1732 HD1 TRP A 109 14.481 9.008 28.278 1.00 0.00 H ATOM 1733 HE1 TRP A 109 13.296 10.770 29.677 1.00 0.00 H ATOM 1734 HE3 TRP A 109 18.573 11.627 29.867 1.00 0.00 H ATOM 1735 HZ2 TRP A 109 14.031 13.102 31.276 1.00 0.00 H ATOM 1736 HZ3 TRP A 109 18.305 13.642 31.278 1.00 0.00 H ATOM 1737 HH2 TRP A 109 16.044 14.393 31.989 1.00 0.00 H ATOM 1738 N VAL A 110 18.329 5.967 27.419 1.00 18.17 N ATOM 1739 CA VAL A 110 19.120 5.112 26.528 1.00 20.77 C ATOM 1740 C VAL A 110 19.143 5.637 25.080 1.00 18.43 C ATOM 1741 O VAL A 110 20.101 5.358 24.362 1.00 20.67 O ATOM 1742 CB VAL A 110 18.585 3.653 26.554 1.00 28.20 C ATOM 1743 CG1 VAL A 110 18.655 3.050 27.968 1.00 32.48 C ATOM 1744 CG2 VAL A 110 17.175 3.467 25.955 1.00 32.96 C ATOM 1745 H VAL A 110 17.445 5.601 27.743 1.00 0.00 H ATOM 1746 HA VAL A 110 20.149 5.103 26.891 1.00 0.00 H ATOM 1747 HB VAL A 110 19.262 3.056 25.939 1.00 0.00 H ATOM 1748 HG11 VAL A 110 18.399 1.990 27.955 1.00 0.00 H ATOM 1749 HG12 VAL A 110 19.659 3.138 28.383 1.00 0.00 H ATOM 1750 HG13 VAL A 110 17.967 3.545 28.654 1.00 0.00 H ATOM 1751 HG21 VAL A 110 16.857 2.427 26.028 1.00 0.00 H ATOM 1752 HG22 VAL A 110 16.435 4.072 26.479 1.00 0.00 H ATOM 1753 HG23 VAL A 110 17.136 3.733 24.899 1.00 0.00 H ATOM 1754 N ALA A 111 18.130 6.421 24.664 1.00 18.39 N ATOM 1755 CA ALA A 111 18.041 7.027 23.335 1.00 20.08 C ATOM 1756 C ALA A 111 19.120 8.096 23.120 1.00 17.47 C ATOM 1757 O ALA A 111 19.592 8.243 21.996 1.00 19.35 O ATOM 1758 CB ALA A 111 16.661 7.673 23.153 1.00 21.74 C ATOM 1759 H ALA A 111 17.379 6.618 25.311 1.00 0.00 H ATOM 1760 HA ALA A 111 18.165 6.241 22.587 1.00 0.00 H ATOM 1761 HB1 ALA A 111 16.514 8.007 22.125 1.00 0.00 H ATOM 1762 HB2 ALA A 111 15.857 6.974 23.387 1.00 0.00 H ATOM 1763 HB3 ALA A 111 16.546 8.546 23.795 1.00 0.00 H ATOM 1764 N TRP A 112 19.558 8.786 24.191 1.00 16.39 N ATOM 1765 CA TRP A 112 20.690 9.708 24.154 1.00 14.27 C ATOM 1766 C TRP A 112 22.023 8.959 23.970 1.00 14.94 C ATOM 1767 O TRP A 112 22.895 9.463 23.268 1.00 14.58 O ATOM 1768 CB TRP A 112 20.733 10.550 25.445 1.00 14.56 C ATOM 1769 CG TRP A 112 21.811 11.595 25.462 1.00 15.83 C ATOM 1770 CD1 TRP A 112 21.694 12.854 24.983 1.00 15.71 C ATOM 1771 CD2 TRP A 112 23.191 11.468 25.925 1.00 15.54 C ATOM 1772 NE1 TRP A 112 22.913 13.494 25.070 1.00 15.81 N ATOM 1773 CE2 TRP A 112 23.878 12.685 25.632 1.00 16.34 C ATOM 1774 CE3 TRP A 112 23.942 10.440 26.545 1.00 16.24 C ATOM 1775 CZ2 TRP A 112 25.241 12.867 25.918 1.00 19.60 C ATOM 1776 CZ3 TRP A 112 25.307 10.619 26.849 1.00 19.22 C ATOM 1777 CH2 TRP A 112 25.958 11.827 26.534 1.00 21.44 C ATOM 1778 H TRP A 112 19.130 8.605 25.088 1.00 0.00 H ATOM 1779 HA TRP A 112 20.553 10.383 23.308 1.00 0.00 H ATOM 1780 HB3 TRP A 112 20.846 9.918 26.327 1.00 0.00 H ATOM 1781 HB2 TRP A 112 19.779 11.063 25.561 1.00 0.00 H ATOM 1782 HD1 TRP A 112 20.794 13.263 24.547 1.00 0.00 H ATOM 1783 HE1 TRP A 112 23.067 14.432 24.726 1.00 0.00 H ATOM 1784 HE3 TRP A 112 23.463 9.502 26.783 1.00 0.00 H ATOM 1785 HZ2 TRP A 112 25.731 13.799 25.677 1.00 0.00 H ATOM 1786 HZ3 TRP A 112 25.868 9.822 27.312 1.00 0.00 H ATOM 1787 HH2 TRP A 112 27.006 11.953 26.763 1.00 0.00 H ATOM 1788 N ARG A 113 22.182 7.752 24.542 1.00 15.14 N ATOM 1789 CA ARG A 113 23.387 6.935 24.363 1.00 16.43 C ATOM 1790 C ARG A 113 23.515 6.426 22.916 1.00 17.09 C ATOM 1791 O ARG A 113 24.624 6.357 22.390 1.00 18.84 O ATOM 1792 CB ARG A 113 23.364 5.703 25.286 1.00 19.05 C ATOM 1793 CG ARG A 113 23.189 5.991 26.783 1.00 21.06 C ATOM 1794 CD ARG A 113 23.337 4.693 27.591 1.00 31.33 C ATOM 1795 NE ARG A 113 22.597 4.736 28.857 1.00 32.96 N ATOM 1796 CZ ARG A 113 22.247 3.671 29.598 1.00 39.44 C ATOM 1797 NH1 ARG A 113 22.564 2.422 29.227 1.00 48.10 N ATOM 1798 NH2 ARG A 113 21.568 3.860 30.734 1.00 49.31 N1+ ATOM 1799 H ARG A 113 21.425 7.367 25.088 1.00 0.00 H ATOM 1800 HA ARG A 113 24.256 7.545 24.608 1.00 0.00 H ATOM 1801 HB3 ARG A 113 24.299 5.157 25.150 1.00 0.00 H ATOM 1802 HB2 ARG A 113 22.579 5.016 24.970 1.00 0.00 H ATOM 1803 HG3 ARG A 113 22.216 6.447 26.966 1.00 0.00 H ATOM 1804 HG2 ARG A 113 23.937 6.714 27.111 1.00 0.00 H ATOM 1805 HD3 ARG A 113 24.387 4.468 27.780 1.00 0.00 H ATOM 1806 HD2 ARG A 113 22.933 3.862 27.013 1.00 0.00 H ATOM 1807 HE ARG A 113 22.334 5.652 29.202 1.00 0.00 H ATOM 1808 HH12 ARG A 113 22.295 1.633 29.797 1.00 0.00 H ATOM 1809 HH11 ARG A 113 23.078 2.264 28.373 1.00 0.00 H ATOM 1810 HH22 ARG A 113 21.305 3.084 31.323 1.00 0.00 H ATOM 1811 HH21 ARG A 113 21.339 4.803 31.028 1.00 0.00 H ATOM 1812 N ASN A 114 22.375 6.092 22.287 1.00 15.91 N ATOM 1813 CA ASN A 114 22.293 5.523 20.945 1.00 17.99 C ATOM 1814 C ASN A 114 22.429 6.604 19.858 1.00 15.89 C ATOM 1815 O ASN A 114 23.070 6.343 18.842 1.00 20.21 O ATOM 1816 CB ASN A 114 20.912 4.841 20.749 1.00 22.77 C ATOM 1817 CG ASN A 114 20.624 3.656 21.681 1.00 26.98 C ATOM 1818 OD1 ASN A 114 21.518 3.113 22.327 1.00 28.93 O ATOM 1819 ND2 ASN A 114 19.352 3.262 21.771 1.00 33.78 N ATOM 1820 H ASN A 114 21.511 6.174 22.806 1.00 0.00 H ATOM 1821 HA ASN A 114 23.088 4.786 20.809 1.00 0.00 H ATOM 1822 HB3 ASN A 114 20.821 4.476 19.725 1.00 0.00 H ATOM 1823 HB2 ASN A 114 20.116 5.574 20.887 1.00 0.00 H ATOM 1824 HD22 ASN A 114 19.115 2.494 22.382 1.00 0.00 H ATOM 1825 HD21 ASN A 114 18.634 3.729 21.237 1.00 0.00 H ATOM 1826 N ARG A 115 21.813 7.785 20.049 1.00 16.64 N ATOM 1827 CA ARG A 115 21.603 8.791 19.003 1.00 17.38 C ATOM 1828 C ARG A 115 22.409 10.087 19.184 1.00 17.46 C ATOM 1829 O ARG A 115 22.424 10.885 18.248 1.00 20.36 O ATOM 1830 CB ARG A 115 20.110 9.192 18.986 1.00 18.38 C ATOM 1831 CG ARG A 115 19.120 8.051 18.697 1.00 24.94 C ATOM 1832 CD ARG A 115 19.132 7.625 17.226 1.00 30.28 C ATOM 1833 NE ARG A 115 18.091 6.628 16.952 1.00 32.22 N ATOM 1834 CZ ARG A 115 17.659 6.271 15.731 1.00 32.89 C ATOM 1835 NH1 ARG A 115 18.151 6.844 14.622 1.00 35.05 N ATOM 1836 NH2 ARG A 115 16.721 5.323 15.618 1.00 36.35 N1+ ATOM 1837 H ARG A 115 21.314 7.924 20.918 1.00 0.00 H ATOM 1838 HA ARG A 115 21.867 8.389 18.023 1.00 0.00 H ATOM 1839 HB3 ARG A 115 19.954 9.964 18.233 1.00 0.00 H ATOM 1840 HB2 ARG A 115 19.845 9.663 19.932 1.00 0.00 H ATOM 1841 HG3 ARG A 115 18.118 8.389 18.953 1.00 0.00 H ATOM 1842 HG2 ARG A 115 19.313 7.195 19.342 1.00 0.00 H ATOM 1843 HD3 ARG A 115 20.101 7.205 16.952 1.00 0.00 H ATOM 1844 HD2 ARG A 115 18.963 8.496 16.593 1.00 0.00 H ATOM 1845 HE ARG A 115 17.702 6.160 17.758 1.00 0.00 H ATOM 1846 HH12 ARG A 115 17.823 6.568 13.709 1.00 0.00 H ATOM 1847 HH11 ARG A 115 18.849 7.569 14.700 1.00 0.00 H ATOM 1848 HH22 ARG A 115 16.385 5.040 14.709 1.00 0.00 H ATOM 1849 HH21 ARG A 115 16.336 4.883 16.442 1.00 0.00 H ATOM 1850 N CYS A 116 23.024 10.337 20.354 1.00 15.08 N ATOM 1851 CA CYS A 116 23.573 11.652 20.722 1.00 14.67 C ATOM 1852 C CYS A 116 24.998 11.588 21.278 1.00 16.40 C ATOM 1853 O CYS A 116 25.790 12.490 21.005 1.00 18.54 O ATOM 1854 CB CYS A 116 22.628 12.374 21.703 1.00 14.17 C ATOM 1855 SG CYS A 116 20.892 12.480 21.199 1.00 14.27 S ATOM 1856 H CYS A 116 22.967 9.641 21.084 1.00 0.00 H ATOM 1857 HA CYS A 116 23.644 12.280 19.832 1.00 0.00 H ATOM 1858 HB3 CYS A 116 22.987 13.386 21.900 1.00 0.00 H ATOM 1859 HB2 CYS A 116 22.649 11.864 22.661 1.00 0.00 H ATOM 1860 N GLN A 117 25.326 10.542 22.057 1.00 16.23 N ATOM 1861 CA GLN A 117 26.611 10.386 22.734 1.00 18.20 C ATOM 1862 C GLN A 117 27.709 10.055 21.716 1.00 20.42 C ATOM 1863 O GLN A 117 27.558 9.132 20.915 1.00 20.59 O ATOM 1864 CB GLN A 117 26.510 9.243 23.764 1.00 19.87 C ATOM 1865 CG GLN A 117 27.733 9.178 24.710 1.00 23.21 C ATOM 1866 CD GLN A 117 27.716 8.047 25.743 1.00 24.24 C ATOM 1867 OE1 GLN A 117 28.505 8.076 26.685 1.00 33.47 O ATOM 1868 NE2 GLN A 117 26.826 7.062 25.606 1.00 37.16 N ATOM 1869 H GLN A 117 24.615 9.851 22.254 1.00 0.00 H ATOM 1870 HA GLN A 117 26.842 11.318 23.254 1.00 0.00 H ATOM 1871 HB3 GLN A 117 26.375 8.292 23.246 1.00 0.00 H ATOM 1872 HB2 GLN A 117 25.612 9.393 24.361 1.00 0.00 H ATOM 1873 HG3 GLN A 117 27.837 10.124 25.240 1.00 0.00 H ATOM 1874 HG2 GLN A 117 28.647 9.059 24.135 1.00 0.00 H ATOM 1875 HE22 GLN A 117 26.811 6.308 26.276 1.00 0.00 H ATOM 1876 HE21 GLN A 117 26.204 7.054 24.811 1.00 0.00 H ATOM 1877 N ASN A 118 28.799 10.838 21.755 1.00 23.71 N ATOM 1878 CA ASN A 118 29.998 10.717 20.915 1.00 28.55 C ATOM 1879 C ASN A 118 29.756 11.143 19.453 1.00 27.64 C ATOM 1880 O ASN A 118 30.562 10.822 18.579 1.00 33.21 O ATOM 1881 CB ASN A 118 30.707 9.341 21.049 1.00 34.02 C ATOM 1882 CG ASN A 118 31.107 8.988 22.487 1.00 36.99 C ATOM 1883 OD1 ASN A 118 31.715 9.796 23.185 1.00 41.09 O ATOM 1884 ND2 ASN A 118 30.734 7.793 22.948 1.00 45.69 N ATOM 1885 H ASN A 118 28.812 11.580 22.440 1.00 0.00 H ATOM 1886 HA ASN A 118 30.687 11.470 21.301 1.00 0.00 H ATOM 1887 HB3 ASN A 118 31.625 9.337 20.459 1.00 0.00 H ATOM 1888 HB2 ASN A 118 30.085 8.548 20.632 1.00 0.00 H ATOM 1889 HD22 ASN A 118 30.971 7.528 23.893 1.00 0.00 H ATOM 1890 HD21 ASN A 118 30.223 7.157 22.353 1.00 0.00 H ATOM 1891 N ARG A 119 28.647 11.854 19.190 1.00 26.95 N ATOM 1892 CA ARG A 119 28.271 12.405 17.893 1.00 29.41 C ATOM 1893 C ARG A 119 28.339 13.934 17.931 1.00 27.46 C ATOM 1894 O ARG A 119 28.266 14.551 18.996 1.00 28.03 O ATOM 1895 CB ARG A 119 26.818 12.009 17.561 1.00 27.29 C ATOM 1896 CG ARG A 119 26.577 10.495 17.472 1.00 29.07 C ATOM 1897 CD ARG A 119 25.329 10.192 16.636 1.00 33.27 C ATOM 1898 NE ARG A 119 24.863 8.809 16.821 1.00 34.40 N ATOM 1899 CZ ARG A 119 24.467 7.968 15.849 1.00 33.71 C ATOM 1900 NH1 ARG A 119 24.506 8.314 14.555 1.00 39.46 N ATOM 1901 NH2 ARG A 119 24.017 6.752 16.178 1.00 32.31 N1+ ATOM 1902 H ARG A 119 28.038 12.076 19.965 1.00 0.00 H ATOM 1903 HA ARG A 119 28.932 12.042 17.104 1.00 0.00 H ATOM 1904 HB3 ARG A 119 26.554 12.455 16.600 1.00 0.00 H ATOM 1905 HB2 ARG A 119 26.123 12.440 18.284 1.00 0.00 H ATOM 1906 HG3 ARG A 119 26.488 10.073 18.474 1.00 0.00 H ATOM 1907 HG2 ARG A 119 27.437 10.012 17.006 1.00 0.00 H ATOM 1908 HD3 ARG A 119 25.545 10.400 15.589 1.00 0.00 H ATOM 1909 HD2 ARG A 119 24.522 10.864 16.915 1.00 0.00 H ATOM 1910 HE ARG A 119 24.797 8.495 17.779 1.00 0.00 H ATOM 1911 HH12 ARG A 119 24.210 7.669 13.837 1.00 0.00 H ATOM 1912 HH11 ARG A 119 24.841 9.228 14.289 1.00 0.00 H ATOM 1913 HH22 ARG A 119 23.736 6.096 15.466 1.00 0.00 H ATOM 1914 HH21 ARG A 119 23.924 6.489 17.154 1.00 0.00 H ATOM 1915 N ASP A 120 28.402 14.536 16.734 1.00 30.41 N ATOM 1916 CA ASP A 120 28.220 15.965 16.510 1.00 27.35 C ATOM 1917 C ASP A 120 26.710 16.272 16.595 1.00 25.50 C ATOM 1918 O ASP A 120 25.927 15.774 15.786 1.00 30.21 O ATOM 1919 CB ASP A 120 28.797 16.303 15.111 1.00 31.42 C ATOM 1920 CG ASP A 120 28.834 17.795 14.754 1.00 38.14 C ATOM 1921 OD1 ASP A 120 28.429 18.620 15.602 1.00 41.12 O ATOM 1922 OD2 ASP A 120 29.307 18.094 13.636 1.00 34.42 O1- ATOM 1923 H ASP A 120 28.455 13.954 15.912 1.00 0.00 H ATOM 1924 HA ASP A 120 28.767 16.522 17.274 1.00 0.00 H ATOM 1925 HB3 ASP A 120 28.243 15.780 14.331 1.00 0.00 H ATOM 1926 HB2 ASP A 120 29.823 15.937 15.049 1.00 0.00 H ATOM 1927 N VAL A 121 26.324 17.076 17.599 1.00 22.52 N ATOM 1928 CA VAL A 121 24.941 17.432 17.933 1.00 21.13 C ATOM 1929 C VAL A 121 24.665 18.939 17.754 1.00 22.32 C ATOM 1930 O VAL A 121 23.569 19.393 18.079 1.00 18.74 O ATOM 1931 CB VAL A 121 24.573 16.913 19.355 1.00 22.58 C ATOM 1932 CG1 VAL A 121 24.535 15.375 19.424 1.00 30.69 C ATOM 1933 CG2 VAL A 121 25.471 17.477 20.473 1.00 25.84 C ATOM 1934 H VAL A 121 27.043 17.430 18.212 1.00 0.00 H ATOM 1935 HA VAL A 121 24.261 16.946 17.231 1.00 0.00 H ATOM 1936 HB VAL A 121 23.558 17.244 19.577 1.00 0.00 H ATOM 1937 HG11 VAL A 121 24.173 15.038 20.396 1.00 0.00 H ATOM 1938 HG12 VAL A 121 23.872 14.958 18.667 1.00 0.00 H ATOM 1939 HG13 VAL A 121 25.523 14.940 19.274 1.00 0.00 H ATOM 1940 HG21 VAL A 121 25.103 17.171 21.453 1.00 0.00 H ATOM 1941 HG22 VAL A 121 26.496 17.118 20.382 1.00 0.00 H ATOM 1942 HG23 VAL A 121 25.498 18.565 20.465 1.00 0.00 H ATOM 1943 N ARG A 122 25.614 19.718 17.201 1.00 27.46 N ATOM 1944 CA ARG A 122 25.458 21.137 16.842 1.00 27.65 C ATOM 1945 C ARG A 122 24.281 21.428 15.892 1.00 24.97 C ATOM 1946 O ARG A 122 23.700 22.511 15.967 1.00 25.46 O ATOM 1947 CB AARG A 122 26.810 21.675 16.308 0.50 29.85 C ATOM 1948 CB BARG A 122 26.848 21.527 16.242 0.50 28.87 C ATOM 1949 CG AARG A 122 26.774 22.772 15.214 0.50 34.26 C ATOM 1950 CG BARG A 122 28.061 21.210 17.122 0.50 37.32 C ATOM 1951 CD AARG A 122 28.151 23.361 14.886 0.50 33.83 C ATOM 1952 CD BARG A 122 27.907 22.022 18.426 0.50 40.48 C ATOM 1953 NE AARG A 122 29.113 22.304 14.545 0.50 37.37 N ATOM 1954 NE BARG A 122 26.936 23.095 18.208 0.50 40.95 N ATOM 1955 CZ AARG A 122 29.993 21.740 15.392 0.50 37.41 C ATOM 1956 CZ BARG A 122 26.457 23.895 19.152 0.50 41.42 C ATOM 1957 NH1AARG A 122 30.126 22.162 16.659 0.50 44.26 N ATOM 1958 NH1BARG A 122 26.123 23.403 20.334 0.50 44.41 N ATOM 1959 NH2AARG A 122 30.746 20.720 14.967 0.50 43.88 N1+ ATOM 1960 NH2BARG A 122 26.311 25.194 18.898 0.50 53.39 N1+ ATOM 1961 H ARG A 122 26.486 19.276 16.937 1.00 0.00 H ATOM 1962 HA ARG A 122 25.233 21.674 17.765 1.00 0.00 H ATOM 1963 HB3AARG A 122 27.386 20.844 15.911 0.50 0.00 H ATOM 1964 HB3BARG A 122 26.793 22.602 16.073 0.50 0.00 H ATOM 1965 HB2AARG A 122 27.378 22.043 17.161 0.50 0.00 H ATOM 1966 HB2BARG A 122 26.957 21.027 15.280 0.50 0.00 H ATOM 1967 HG3AARG A 122 26.128 23.591 15.533 0.50 0.00 H ATOM 1968 HG3BARG A 122 28.972 21.518 16.609 0.50 0.00 H ATOM 1969 HG2AARG A 122 26.340 22.371 14.297 0.50 0.00 H ATOM 1970 HG2BARG A 122 28.071 20.146 17.357 0.50 0.00 H ATOM 1971 HD3AARG A 122 28.519 23.968 15.713 0.50 0.00 H ATOM 1972 HD3BARG A 122 28.869 22.454 18.701 0.50 0.00 H ATOM 1973 HD2AARG A 122 28.065 24.033 14.031 0.50 0.00 H ATOM 1974 HD2BARG A 122 27.552 21.367 19.222 0.50 0.00 H ATOM 1975 HE AARG A 122 29.043 21.926 13.611 0.50 0.00 H ATOM 1976 HE BARG A 122 26.631 23.204 17.251 0.50 0.00 H ATOM 1977 HH12AARG A 122 30.783 21.717 17.282 0.50 0.00 H ATOM 1978 HH12BARG A 122 25.759 24.014 21.051 0.50 0.00 H ATOM 1979 HH11AARG A 122 29.563 22.929 16.994 0.50 0.00 H ATOM 1980 HH11BARG A 122 26.232 22.416 20.519 0.50 0.00 H ATOM 1981 HH22AARG A 122 31.397 20.267 15.591 0.50 0.00 H ATOM 1982 HH22BARG A 122 25.947 25.810 19.611 0.50 0.00 H ATOM 1983 HH21AARG A 122 30.580 20.306 14.059 0.50 0.00 H ATOM 1984 HH21BARG A 122 26.564 25.563 17.993 0.50 0.00 H ATOM 1985 N GLN A 123 23.930 20.464 15.020 1.00 26.01 N ATOM 1986 CA GLN A 123 22.850 20.541 14.035 1.00 28.19 C ATOM 1987 C GLN A 123 21.465 20.899 14.611 1.00 24.96 C ATOM 1988 O GLN A 123 20.660 21.515 13.914 1.00 26.43 O ATOM 1989 CB GLN A 123 22.788 19.240 13.210 1.00 33.36 C ATOM 1990 CG GLN A 123 22.478 17.958 14.021 1.00 45.52 C ATOM 1991 CD GLN A 123 22.226 16.702 13.179 1.00 48.33 C ATOM 1992 OE1 GLN A 123 22.331 15.595 13.698 1.00 50.12 O ATOM 1993 NE2 GLN A 123 21.915 16.839 11.887 1.00 61.45 N ATOM 1994 H GLN A 123 24.469 19.610 15.036 1.00 0.00 H ATOM 1995 HA GLN A 123 23.142 21.329 13.346 1.00 0.00 H ATOM 1996 HB3 GLN A 123 23.734 19.108 12.682 1.00 0.00 H ATOM 1997 HB2 GLN A 123 22.035 19.383 12.433 1.00 0.00 H ATOM 1998 HG3 GLN A 123 21.586 18.097 14.630 1.00 0.00 H ATOM 1999 HG2 GLN A 123 23.293 17.750 14.716 1.00 0.00 H ATOM 2000 HE22 GLN A 123 21.762 16.016 11.323 1.00 0.00 H ATOM 2001 HE21 GLN A 123 21.846 17.758 11.475 1.00 0.00 H ATOM 2002 N TYR A 124 21.194 20.523 15.872 1.00 21.23 N ATOM 2003 CA TYR A 124 19.892 20.680 16.515 1.00 20.57 C ATOM 2004 C TYR A 124 19.659 22.098 17.080 1.00 17.27 C ATOM 2005 O TYR A 124 18.516 22.418 17.405 1.00 19.70 O ATOM 2006 CB TYR A 124 19.781 19.656 17.664 1.00 20.32 C ATOM 2007 CG TYR A 124 19.869 18.204 17.224 1.00 17.15 C ATOM 2008 CD1 TYR A 124 18.837 17.628 16.455 1.00 23.75 C ATOM 2009 CD2 TYR A 124 20.992 17.427 17.566 1.00 19.77 C ATOM 2010 CE1 TYR A 124 18.945 16.295 16.010 1.00 24.75 C ATOM 2011 CE2 TYR A 124 21.118 16.108 17.096 1.00 21.05 C ATOM 2012 CZ TYR A 124 20.093 15.539 16.320 1.00 20.92 C ATOM 2013 OH TYR A 124 20.219 14.259 15.866 1.00 25.52 O ATOM 2014 H TYR A 124 21.912 20.038 16.393 1.00 0.00 H ATOM 2015 HA TYR A 124 19.107 20.472 15.788 1.00 0.00 H ATOM 2016 HB3 TYR A 124 18.806 19.766 18.129 1.00 0.00 H ATOM 2017 HB2 TYR A 124 20.524 19.856 18.439 1.00 0.00 H ATOM 2018 HD1 TYR A 124 17.964 18.208 16.193 1.00 0.00 H ATOM 2019 HD2 TYR A 124 21.765 17.837 18.190 1.00 0.00 H ATOM 2020 HE1 TYR A 124 18.156 15.862 15.413 1.00 0.00 H ATOM 2021 HE2 TYR A 124 21.996 15.532 17.344 1.00 0.00 H ATOM 2022 HH TYR A 124 21.089 13.913 16.005 1.00 0.00 H ATOM 2023 N VAL A 125 20.696 22.955 17.146 1.00 19.87 N ATOM 2024 CA VAL A 125 20.644 24.327 17.673 1.00 19.04 C ATOM 2025 C VAL A 125 21.132 25.394 16.677 1.00 21.10 C ATOM 2026 O VAL A 125 21.021 26.581 16.987 1.00 21.37 O ATOM 2027 CB VAL A 125 21.380 24.429 19.037 1.00 21.60 C ATOM 2028 CG1 VAL A 125 20.613 23.726 20.164 1.00 23.75 C ATOM 2029 CG2 VAL A 125 22.845 23.955 18.978 1.00 24.99 C ATOM 2030 H VAL A 125 21.601 22.619 16.846 1.00 0.00 H ATOM 2031 HA VAL A 125 19.603 24.601 17.854 1.00 0.00 H ATOM 2032 HB VAL A 125 21.412 25.481 19.322 1.00 0.00 H ATOM 2033 HG11 VAL A 125 21.145 23.809 21.112 1.00 0.00 H ATOM 2034 HG12 VAL A 125 19.629 24.175 20.302 1.00 0.00 H ATOM 2035 HG13 VAL A 125 20.469 22.667 19.953 1.00 0.00 H ATOM 2036 HG21 VAL A 125 23.351 24.143 19.925 1.00 0.00 H ATOM 2037 HG22 VAL A 125 22.912 22.885 18.775 1.00 0.00 H ATOM 2038 HG23 VAL A 125 23.407 24.476 18.202 1.00 0.00 H ATOM 2039 N GLN A 126 21.660 25.011 15.498 1.00 23.38 N ATOM 2040 CA GLN A 126 22.195 25.951 14.508 1.00 29.06 C ATOM 2041 C GLN A 126 21.098 26.850 13.904 1.00 27.13 C ATOM 2042 O GLN A 126 20.025 26.378 13.526 1.00 27.14 O ATOM 2043 CB AGLN A 126 22.988 25.197 13.417 0.50 31.28 C ATOM 2044 CB BGLN A 126 23.035 25.188 13.469 0.50 31.69 C ATOM 2045 CG AGLN A 126 22.199 24.233 12.495 0.50 33.72 C ATOM 2046 CG BGLN A 126 23.789 23.971 13.941 0.50 37.39 C ATOM 2047 CD AGLN A 126 22.526 24.354 11.003 0.50 47.22 C ATOM 2048 CD BGLN A 126 25.043 24.263 14.723 0.50 38.76 C ATOM 2049 OE1AGLN A 126 22.740 23.344 10.338 0.50 45.69 O ATOM 2050 OE1BGLN A 126 25.125 25.190 15.519 0.50 38.51 O ATOM 2051 NE2AGLN A 126 22.580 25.575 10.464 0.50 49.55 N ATOM 2052 NE2BGLN A 126 26.059 23.415 14.517 0.50 43.64 N ATOM 2053 H GLN A 126 21.737 24.024 15.296 1.00 0.00 H ATOM 2054 HA GLN A 126 22.907 26.591 15.035 1.00 0.00 H ATOM 2055 HB3AGLN A 126 23.780 24.623 13.903 0.50 0.00 H ATOM 2056 HB3BGLN A 126 23.741 25.920 13.076 0.50 0.00 H ATOM 2057 HB2AGLN A 126 23.529 25.942 12.833 0.50 0.00 H ATOM 2058 HB2BGLN A 126 22.419 24.920 12.610 0.50 0.00 H ATOM 2059 HG3AGLN A 126 21.122 24.349 12.599 0.50 0.00 H ATOM 2060 HG3BGLN A 126 24.036 23.345 13.084 0.50 0.00 H ATOM 2061 HG2AGLN A 126 22.394 23.215 12.808 0.50 0.00 H ATOM 2062 HG2BGLN A 126 23.127 23.347 14.541 0.50 0.00 H ATOM 2063 HE22AGLN A 126 22.800 25.674 9.484 0.50 0.00 H ATOM 2064 HE22BGLN A 126 26.933 23.546 15.006 0.50 0.00 H ATOM 2065 HE21AGLN A 126 22.398 26.390 11.031 0.50 0.00 H ATOM 2066 HE21BGLN A 126 25.951 22.645 13.873 0.50 0.00 H ATOM 2067 N GLY A 127 21.379 28.160 13.847 1.00 25.06 N ATOM 2068 CA GLY A 127 20.493 29.193 13.313 1.00 25.33 C ATOM 2069 C GLY A 127 19.320 29.600 14.219 1.00 23.89 C ATOM 2070 O GLY A 127 18.466 30.361 13.767 1.00 25.63 O ATOM 2071 H GLY A 127 22.276 28.468 14.195 1.00 0.00 H ATOM 2072 HA3 GLY A 127 20.098 28.871 12.348 1.00 0.00 H ATOM 2073 HA2 GLY A 127 21.093 30.082 13.117 1.00 0.00 H ATOM 2074 N CYS A 128 19.252 29.102 15.467 1.00 20.90 N ATOM 2075 CA CYS A 128 18.122 29.323 16.376 1.00 20.37 C ATOM 2076 C CYS A 128 18.290 30.542 17.302 1.00 21.95 C ATOM 2077 O CYS A 128 17.338 30.892 18.002 1.00 24.45 O ATOM 2078 CB CYS A 128 17.939 28.070 17.253 1.00 18.95 C ATOM 2079 SG CYS A 128 17.562 26.536 16.360 1.00 17.57 S ATOM 2080 H CYS A 128 19.979 28.471 15.774 1.00 0.00 H ATOM 2081 HA CYS A 128 17.210 29.496 15.805 1.00 0.00 H ATOM 2082 HB3 CYS A 128 17.124 28.226 17.961 1.00 0.00 H ATOM 2083 HB2 CYS A 128 18.828 27.890 17.854 1.00 0.00 H ATOM 2084 N GLY A 129 19.461 31.203 17.294 1.00 27.29 N ATOM 2085 CA GLY A 129 19.742 32.406 18.080 1.00 29.29 C ATOM 2086 C GLY A 129 20.014 32.139 19.567 1.00 28.62 C ATOM 2087 O GLY A 129 19.756 33.010 20.397 1.00 38.50 O ATOM 2088 H GLY A 129 20.192 30.869 16.683 1.00 0.00 H ATOM 2089 HA3 GLY A 129 18.917 33.114 17.983 1.00 0.00 H ATOM 2090 HA2 GLY A 129 20.620 32.894 17.656 1.00 0.00 H ATOM 2091 N VAL A 130 20.501 30.932 19.893 1.00 24.90 N ATOM 2092 CA VAL A 130 20.800 30.448 21.242 1.00 25.27 C ATOM 2093 C VAL A 130 22.316 30.272 21.438 1.00 33.46 C ATOM 2094 O VAL A 130 22.701 30.029 22.602 1.00 31.44 O ATOM 2095 CB VAL A 130 20.039 29.118 21.484 1.00 25.35 C ATOM 2096 CG1 VAL A 130 18.516 29.329 21.471 1.00 27.59 C ATOM 2097 CG2 VAL A 130 20.444 27.983 20.520 1.00 26.59 C ATOM 2098 OXT VAL A 130 23.068 30.370 20.442 1.00 47.97 O1- ATOM 2099 H VAL A 130 20.713 30.295 19.140 1.00 0.00 H ATOM 2100 HA VAL A 130 20.471 31.175 21.987 1.00 0.00 H ATOM 2101 HB VAL A 130 20.287 28.781 22.491 1.00 0.00 H ATOM 2102 HG11 VAL A 130 18.000 28.409 21.735 1.00 0.00 H ATOM 2103 HG12 VAL A 130 18.216 30.092 22.189 1.00 0.00 H ATOM 2104 HG13 VAL A 130 18.155 29.633 20.488 1.00 0.00 H ATOM 2105 HG21 VAL A 130 19.836 27.092 20.676 1.00 0.00 H ATOM 2106 HG22 VAL A 130 20.330 28.276 19.479 1.00 0.00 H ATOM 2107 HG23 VAL A 130 21.484 27.688 20.663 1.00 0.00 H CONECT 105 2079 CONECT 521 1855 CONECT 1093 1300 CONECT 1243 1494 CONECT 1300 1093 CONECT 1494 1243 CONECT 1855 521 CONECT 2079 105 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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