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*** HYDROLASE (O-GLYCOSYL) 21-AUG-96 1REX ***elNémo ID: 2407241139591092009Job options:ID = 2407241139591092009 JOBID = HYDROLASE (O-GLYCOSYL) 21-AUG-96 1REX 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 (O-GLYCOSYL) 21-AUG-96 1REX REMARK 4 1REX COMPLIES WITH FORMAT V. 3.30, REMARK 888 REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) TITLE NATIVE HUMAN LYSOZYME EXPDTA X-RAY DIFFRACTION REMARK 2 RESOLUTION. 1.50 ANGSTROMS REMARK 3 R VALUE : 0.191000 REMARK 3 FREE R VALUE : 0.208000 REMARK 200 TEMPERATURE (KELVIN) : NULL 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 57.140 61.020 33.100 90.00 90.00 90.00 P 21 21 21 4 MODEL 1 ATOM 1 N LYS A 1 1.251 19.636 22.152 1.00 10.85 N1+ ATOM 2 CA LYS A 1 1.899 20.606 21.229 1.00 10.55 C ATOM 3 C LYS A 1 3.168 20.004 20.624 1.00 10.49 C ATOM 4 O LYS A 1 3.910 19.328 21.327 1.00 10.77 O ATOM 5 CB LYS A 1 2.282 21.871 22.016 1.00 12.60 C ATOM 6 CG LYS A 1 3.243 22.812 21.285 1.00 16.02 C ATOM 7 CD LYS A 1 3.634 24.000 22.146 1.00 16.59 C ATOM 8 CE LYS A 1 4.454 24.988 21.347 1.00 18.78 C ATOM 9 NZ LYS A 1 4.729 26.218 22.143 1.00 22.56 N1+ ATOM 10 H1 LYS A 1 0.416 20.048 22.542 1.00 0.00 H ATOM 11 H2 LYS A 1 1.006 18.798 21.643 1.00 0.00 H ATOM 12 H3 LYS A 1 1.890 19.402 22.898 1.00 0.00 H ATOM 13 HA LYS A 1 1.205 20.870 20.431 1.00 0.00 H ATOM 14 HB3 LYS A 1 2.717 21.583 22.973 1.00 0.00 H ATOM 15 HB2 LYS A 1 1.377 22.417 22.285 1.00 0.00 H ATOM 16 HG3 LYS A 1 2.774 23.168 20.367 1.00 0.00 H ATOM 17 HG2 LYS A 1 4.139 22.263 20.997 1.00 0.00 H ATOM 18 HD3 LYS A 1 4.215 23.653 23.001 1.00 0.00 H ATOM 19 HD2 LYS A 1 2.734 24.491 22.517 1.00 0.00 H ATOM 20 HE3 LYS A 1 3.915 25.257 20.439 1.00 0.00 H ATOM 21 HE2 LYS A 1 5.397 24.525 21.056 1.00 0.00 H ATOM 22 HZ1 LYS A 1 5.241 25.972 22.978 1.00 0.00 H ATOM 23 HZ2 LYS A 1 5.277 26.862 21.590 1.00 0.00 H ATOM 24 HZ3 LYS A 1 3.856 26.655 22.401 1.00 0.00 H ATOM 25 N VAL A 2 3.384 20.212 19.329 1.00 10.57 N ATOM 26 CA VAL A 2 4.597 19.736 18.678 1.00 11.60 C ATOM 27 C VAL A 2 5.389 21.024 18.429 1.00 12.41 C ATOM 28 O VAL A 2 4.916 21.932 17.730 1.00 11.94 O ATOM 29 CB VAL A 2 4.304 19.032 17.338 1.00 13.00 C ATOM 30 CG1 VAL A 2 5.614 18.569 16.684 1.00 12.39 C ATOM 31 CG2 VAL A 2 3.366 17.850 17.567 1.00 13.38 C ATOM 32 H VAL A 2 2.700 20.709 18.776 1.00 0.00 H ATOM 33 HA VAL A 2 5.150 19.072 19.343 1.00 0.00 H ATOM 34 HB VAL A 2 3.814 19.742 16.672 1.00 0.00 H ATOM 35 HG11 VAL A 2 5.393 18.073 15.739 1.00 0.00 H ATOM 36 HG12 VAL A 2 6.254 19.432 16.501 1.00 0.00 H ATOM 37 HG13 VAL A 2 6.126 17.872 17.348 1.00 0.00 H ATOM 38 HG21 VAL A 2 3.163 17.357 16.616 1.00 0.00 H ATOM 39 HG22 VAL A 2 3.834 17.141 18.251 1.00 0.00 H ATOM 40 HG23 VAL A 2 2.430 18.206 17.998 1.00 0.00 H ATOM 41 N PHE A 3 6.521 21.159 19.117 1.00 11.56 N ATOM 42 CA PHE A 3 7.373 22.338 18.986 1.00 11.69 C ATOM 43 C PHE A 3 8.142 22.331 17.689 1.00 11.91 C ATOM 44 O PHE A 3 8.417 21.280 17.129 1.00 12.01 O ATOM 45 CB PHE A 3 8.433 22.369 20.086 1.00 11.71 C ATOM 46 CG PHE A 3 7.953 22.905 21.391 1.00 11.49 C ATOM 47 CD1 PHE A 3 7.226 22.108 22.263 1.00 12.47 C ATOM 48 CD2 PHE A 3 8.286 24.186 21.780 1.00 11.68 C ATOM 49 CE1 PHE A 3 6.833 22.593 23.513 1.00 15.19 C ATOM 50 CE2 PHE A 3 7.898 24.676 23.022 1.00 12.64 C ATOM 51 CZ PHE A 3 7.173 23.879 23.893 1.00 12.84 C ATOM 52 H PHE A 3 6.814 20.432 19.754 1.00 0.00 H ATOM 53 HA PHE A 3 6.761 23.238 19.043 1.00 0.00 H ATOM 54 HB3 PHE A 3 9.288 22.955 19.747 1.00 0.00 H ATOM 55 HB2 PHE A 3 8.831 21.365 20.232 1.00 0.00 H ATOM 56 HD1 PHE A 3 6.958 21.101 21.978 1.00 0.00 H ATOM 57 HD2 PHE A 3 8.855 24.821 21.117 1.00 0.00 H ATOM 58 HE1 PHE A 3 6.264 21.964 24.182 1.00 0.00 H ATOM 59 HE2 PHE A 3 8.162 25.682 23.312 1.00 0.00 H ATOM 60 HZ PHE A 3 6.873 24.253 24.861 1.00 0.00 H ATOM 61 N GLU A 4 8.479 23.520 17.209 1.00 12.69 N ATOM 62 CA GLU A 4 9.334 23.632 16.040 1.00 14.04 C ATOM 63 C GLU A 4 10.720 23.618 16.696 1.00 11.79 C ATOM 64 O GLU A 4 10.865 24.024 17.857 1.00 10.31 O ATOM 65 CB GLU A 4 9.110 24.954 15.310 1.00 20.10 C ATOM 66 CG GLU A 4 7.788 25.025 14.567 1.00 29.44 C ATOM 67 CD GLU A 4 7.539 26.388 13.956 1.00 35.69 C ATOM 68 OE1 GLU A 4 7.115 27.310 14.705 1.00 38.18 O ATOM 69 OE2 GLU A 4 7.768 26.528 12.730 1.00 38.64 O1- ATOM 70 H GLU A 4 8.141 24.360 17.657 1.00 0.00 H ATOM 71 HA GLU A 4 9.204 22.782 15.370 1.00 0.00 H ATOM 72 HB3 GLU A 4 9.928 25.123 14.610 1.00 0.00 H ATOM 73 HB2 GLU A 4 9.168 25.776 16.024 1.00 0.00 H ATOM 74 HG3 GLU A 4 6.975 24.780 15.250 1.00 0.00 H ATOM 75 HG2 GLU A 4 7.772 24.268 13.783 1.00 0.00 H ATOM 76 N ARG A 5 11.734 23.199 15.950 1.00 9.83 N ATOM 77 CA ARG A 5 13.093 23.090 16.478 1.00 10.92 C ATOM 78 C ARG A 5 13.620 24.303 17.254 1.00 10.23 C ATOM 79 O ARG A 5 13.928 24.192 18.445 1.00 10.28 O ATOM 80 CB ARG A 5 14.071 22.731 15.355 1.00 9.54 C ATOM 81 CG ARG A 5 15.498 22.466 15.818 1.00 9.89 C ATOM 82 CD ARG A 5 16.350 21.971 14.673 1.00 11.68 C ATOM 83 NE ARG A 5 16.453 22.930 13.574 1.00 13.53 N ATOM 84 CZ ARG A 5 17.441 23.815 13.432 1.00 15.77 C ATOM 85 NH1 ARG A 5 18.406 23.899 14.344 1.00 17.01 N ATOM 86 NH2 ARG A 5 17.446 24.640 12.389 1.00 16.95 N1+ ATOM 87 H ARG A 5 11.579 22.943 14.985 1.00 0.00 H ATOM 88 HA ARG A 5 13.092 22.250 17.173 1.00 0.00 H ATOM 89 HB3 ARG A 5 14.075 23.528 14.611 1.00 0.00 H ATOM 90 HB2 ARG A 5 13.698 21.859 14.817 1.00 0.00 H ATOM 91 HG3 ARG A 5 15.489 21.720 16.613 1.00 0.00 H ATOM 92 HG2 ARG A 5 15.926 23.385 16.218 1.00 0.00 H ATOM 93 HD3 ARG A 5 15.942 21.033 14.297 1.00 0.00 H ATOM 94 HD2 ARG A 5 17.348 21.734 15.041 1.00 0.00 H ATOM 95 HE ARG A 5 15.708 22.892 12.894 1.00 0.00 H ATOM 96 HH12 ARG A 5 19.151 24.571 14.230 1.00 0.00 H ATOM 97 HH11 ARG A 5 18.393 23.290 15.150 1.00 0.00 H ATOM 98 HH22 ARG A 5 18.193 25.311 12.279 1.00 0.00 H ATOM 99 HH21 ARG A 5 16.703 24.596 11.706 1.00 0.00 H ATOM 100 N CYS A 6 13.703 25.456 16.590 1.00 9.69 N ATOM 101 CA CYS A 6 14.234 26.638 17.257 1.00 9.86 C ATOM 102 C CYS A 6 13.350 27.199 18.356 1.00 9.46 C ATOM 103 O CYS A 6 13.854 27.777 19.325 1.00 9.29 O ATOM 104 CB CYS A 6 14.627 27.698 16.233 1.00 11.51 C ATOM 105 SG CYS A 6 15.994 27.119 15.185 1.00 13.68 S ATOM 106 H CYS A 6 13.398 25.508 15.628 1.00 0.00 H ATOM 107 HA CYS A 6 15.159 26.325 17.741 1.00 0.00 H ATOM 108 HB3 CYS A 6 14.927 28.609 16.751 1.00 0.00 H ATOM 109 HB2 CYS A 6 13.766 27.936 15.608 1.00 0.00 H ATOM 110 N GLU A 7 12.041 27.010 18.213 1.00 7.95 N ATOM 111 CA GLU A 7 11.091 27.446 19.222 1.00 8.09 C ATOM 112 C GLU A 7 11.402 26.705 20.530 1.00 8.45 C ATOM 113 O GLU A 7 11.426 27.303 21.610 1.00 6.95 O ATOM 114 CB GLU A 7 9.669 27.124 18.770 1.00 10.91 C ATOM 115 CG GLU A 7 8.601 27.486 19.794 1.00 17.15 C ATOM 116 CD GLU A 7 7.200 26.978 19.421 1.00 21.73 C ATOM 117 OE1 GLU A 7 7.076 26.047 18.576 1.00 21.43 O ATOM 118 OE2 GLU A 7 6.221 27.505 19.998 1.00 22.02 O1- ATOM 119 H GLU A 7 11.684 26.553 17.386 1.00 0.00 H ATOM 120 HA GLU A 7 11.191 28.520 19.378 1.00 0.00 H ATOM 121 HB3 GLU A 7 9.597 26.063 18.532 1.00 0.00 H ATOM 122 HB2 GLU A 7 9.462 27.641 17.833 1.00 0.00 H ATOM 123 HG3 GLU A 7 8.572 28.568 19.919 1.00 0.00 H ATOM 124 HG2 GLU A 7 8.883 27.086 20.768 1.00 0.00 H ATOM 125 N LEU A 8 11.658 25.398 20.425 1.00 8.64 N ATOM 126 CA LEU A 8 11.982 24.603 21.599 1.00 7.46 C ATOM 127 C LEU A 8 13.336 25.022 22.169 1.00 6.00 C ATOM 128 O LEU A 8 13.495 25.145 23.379 1.00 6.89 O ATOM 129 CB LEU A 8 11.985 23.106 21.244 1.00 7.00 C ATOM 130 CG LEU A 8 12.335 22.165 22.411 1.00 7.92 C ATOM 131 CD1 LEU A 8 11.335 22.290 23.558 1.00 7.49 C ATOM 132 CD2 LEU A 8 12.408 20.725 21.900 1.00 8.22 C ATOM 133 H LEU A 8 11.628 24.949 19.521 1.00 0.00 H ATOM 134 HA LEU A 8 11.218 24.778 22.357 1.00 0.00 H ATOM 135 HB3 LEU A 8 12.677 22.932 20.420 1.00 0.00 H ATOM 136 HB2 LEU A 8 11.012 22.830 20.837 1.00 0.00 H ATOM 137 HG LEU A 8 13.320 22.442 22.787 1.00 0.00 H ATOM 138 HD11 LEU A 8 11.617 21.610 24.362 1.00 0.00 H ATOM 139 HD12 LEU A 8 11.336 23.314 23.932 1.00 0.00 H ATOM 140 HD13 LEU A 8 10.337 22.035 23.200 1.00 0.00 H ATOM 141 HD21 LEU A 8 12.656 20.058 22.726 1.00 0.00 H ATOM 142 HD22 LEU A 8 11.444 20.439 21.479 1.00 0.00 H ATOM 143 HD23 LEU A 8 13.176 20.651 21.130 1.00 0.00 H ATOM 144 N ALA A 9 14.313 25.257 21.302 1.00 6.81 N ATOM 145 CA ALA A 9 15.655 25.645 21.762 1.00 8.81 C ATOM 146 C ALA A 9 15.624 26.936 22.605 1.00 7.91 C ATOM 147 O ALA A 9 16.237 27.016 23.678 1.00 8.22 O ATOM 148 CB ALA A 9 16.608 25.788 20.571 1.00 8.18 C ATOM 149 H ALA A 9 14.140 25.170 20.311 1.00 0.00 H ATOM 150 HA ALA A 9 16.034 24.843 22.396 1.00 0.00 H ATOM 151 HB1 ALA A 9 17.597 26.075 20.929 1.00 0.00 H ATOM 152 HB2 ALA A 9 16.676 24.837 20.043 1.00 0.00 H ATOM 153 HB3 ALA A 9 16.231 26.553 19.893 1.00 0.00 H ATOM 154 N ARG A 10 14.897 27.940 22.131 1.00 8.95 N ATOM 155 CA ARG A 10 14.797 29.183 22.887 1.00 8.80 C ATOM 156 C ARG A 10 14.020 28.986 24.182 1.00 8.47 C ATOM 157 O ARG A 10 14.350 29.580 25.221 1.00 7.67 O ATOM 158 CB ARG A 10 14.158 30.272 22.032 1.00 9.08 C ATOM 159 CG ARG A 10 15.037 30.695 20.866 1.00 8.15 C ATOM 160 CD ARG A 10 14.448 31.904 20.151 1.00 12.64 C ATOM 161 NE ARG A 10 13.227 31.573 19.421 1.00 13.22 N ATOM 162 CZ ARG A 10 13.211 31.144 18.164 1.00 12.69 C ATOM 163 NH1 ARG A 10 14.351 31.007 17.493 1.00 11.89 N ATOM 164 NH2 ARG A 10 12.055 30.864 17.580 1.00 13.50 N1+ ATOM 165 H ARG A 10 14.415 27.842 21.249 1.00 0.00 H ATOM 166 HA ARG A 10 15.806 29.504 23.144 1.00 0.00 H ATOM 167 HB3 ARG A 10 13.940 31.140 22.654 1.00 0.00 H ATOM 168 HB2 ARG A 10 13.199 29.919 21.653 1.00 0.00 H ATOM 169 HG3 ARG A 10 15.130 29.867 20.163 1.00 0.00 H ATOM 170 HG2 ARG A 10 16.034 30.940 21.233 1.00 0.00 H ATOM 171 HD3 ARG A 10 15.185 32.310 19.459 1.00 0.00 H ATOM 172 HD2 ARG A 10 14.234 32.687 20.879 1.00 0.00 H ATOM 173 HE ARG A 10 12.360 31.687 19.927 1.00 0.00 H ATOM 174 HH12 ARG A 10 14.338 30.681 16.537 1.00 0.00 H ATOM 175 HH11 ARG A 10 15.229 31.229 17.939 1.00 0.00 H ATOM 176 HH22 ARG A 10 12.038 30.538 16.624 1.00 0.00 H ATOM 177 HH21 ARG A 10 11.191 30.977 18.090 1.00 0.00 H ATOM 178 N THR A 11 13.009 28.116 24.141 1.00 8.72 N ATOM 179 CA THR A 11 12.211 27.848 25.333 1.00 9.26 C ATOM 180 C THR A 11 13.089 27.181 26.394 1.00 7.90 C ATOM 181 O THR A 11 13.077 27.578 27.553 1.00 8.59 O ATOM 182 CB THR A 11 10.992 26.962 25.007 1.00 8.15 C ATOM 183 OG1 THR A 11 10.185 27.585 24.001 1.00 9.46 O ATOM 184 CG2 THR A 11 10.143 26.758 26.254 1.00 9.53 C ATOM 185 H THR A 11 12.790 27.636 23.280 1.00 0.00 H ATOM 186 HA THR A 11 11.852 28.798 25.729 1.00 0.00 H ATOM 187 HB THR A 11 11.337 25.994 24.644 1.00 0.00 H ATOM 188 HG1 THR A 11 10.612 27.494 23.146 1.00 0.00 H ATOM 189 HG21 THR A 11 9.285 26.131 26.012 1.00 0.00 H ATOM 190 HG22 THR A 11 10.741 26.273 27.026 1.00 0.00 H ATOM 191 HG23 THR A 11 9.794 27.724 26.619 1.00 0.00 H ATOM 192 N LEU A 12 13.884 26.197 25.981 1.00 7.13 N ATOM 193 CA LEU A 12 14.770 25.503 26.927 1.00 7.61 C ATOM 194 C LEU A 12 15.808 26.459 27.495 1.00 8.17 C ATOM 195 O LEU A 12 16.169 26.370 28.673 1.00 10.26 O ATOM 196 CB LEU A 12 15.457 24.292 26.266 1.00 7.79 C ATOM 197 CG LEU A 12 14.550 23.097 25.919 1.00 9.99 C ATOM 198 CD1 LEU A 12 15.359 22.025 25.203 1.00 8.51 C ATOM 199 CD2 LEU A 12 13.896 22.529 27.177 1.00 11.86 C ATOM 200 H LEU A 12 13.882 25.921 25.010 1.00 0.00 H ATOM 201 HA LEU A 12 14.161 25.136 27.753 1.00 0.00 H ATOM 202 HB3 LEU A 12 16.273 23.950 26.903 1.00 0.00 H ATOM 203 HB2 LEU A 12 15.977 24.621 25.367 1.00 0.00 H ATOM 204 HG LEU A 12 13.764 23.443 25.247 1.00 0.00 H ATOM 205 HD11 LEU A 12 14.712 21.182 24.960 1.00 0.00 H ATOM 206 HD12 LEU A 12 15.777 22.437 24.285 1.00 0.00 H ATOM 207 HD13 LEU A 12 16.168 21.686 25.850 1.00 0.00 H ATOM 208 HD21 LEU A 12 13.260 21.686 26.907 1.00 0.00 H ATOM 209 HD22 LEU A 12 14.669 22.194 27.869 1.00 0.00 H ATOM 210 HD23 LEU A 12 13.292 23.301 27.654 1.00 0.00 H ATOM 211 N LYS A 13 16.301 27.363 26.654 1.00 7.83 N ATOM 212 CA LYS A 13 17.296 28.329 27.105 1.00 9.58 C ATOM 213 C LYS A 13 16.695 29.204 28.203 1.00 10.12 C ATOM 214 O LYS A 13 17.288 29.368 29.269 1.00 8.47 O ATOM 215 CB LYS A 13 17.780 29.193 25.936 1.00 12.50 C ATOM 216 CG LYS A 13 19.037 29.993 26.275 1.00 18.38 C ATOM 217 CD LYS A 13 19.563 30.732 25.068 1.00 24.68 C ATOM 218 CE LYS A 13 20.668 31.738 25.433 1.00 29.56 C ATOM 219 NZ LYS A 13 20.882 32.751 24.332 1.00 30.70 N1+ ATOM 220 H LYS A 13 15.987 27.384 25.694 1.00 0.00 H ATOM 221 HA LYS A 13 18.148 27.788 27.516 1.00 0.00 H ATOM 222 HB3 LYS A 13 16.985 29.877 25.637 1.00 0.00 H ATOM 223 HB2 LYS A 13 17.977 28.557 25.073 1.00 0.00 H ATOM 224 HG3 LYS A 13 19.806 29.318 26.651 1.00 0.00 H ATOM 225 HG2 LYS A 13 18.810 30.707 27.067 1.00 0.00 H ATOM 226 HD3 LYS A 13 18.743 31.257 24.578 1.00 0.00 H ATOM 227 HD2 LYS A 13 19.950 30.015 24.344 1.00 0.00 H ATOM 228 HE3 LYS A 13 21.599 31.203 25.619 1.00 0.00 H ATOM 229 HE2 LYS A 13 20.398 32.255 26.354 1.00 0.00 H ATOM 230 HZ1 LYS A 13 21.399 32.324 23.577 1.00 0.00 H ATOM 231 HZ2 LYS A 13 19.987 33.070 23.989 1.00 0.00 H ATOM 232 HZ3 LYS A 13 21.403 33.537 24.694 1.00 0.00 H ATOM 233 N ARG A 14 15.485 29.713 27.968 1.00 9.79 N ATOM 234 CA ARG A 14 14.817 30.554 28.966 1.00 10.72 C ATOM 235 C ARG A 14 14.581 29.838 30.283 1.00 9.93 C ATOM 236 O ARG A 14 14.580 30.458 31.344 1.00 9.73 O ATOM 237 CB ARG A 14 13.475 31.064 28.442 1.00 14.01 C ATOM 238 CG ARG A 14 13.583 32.307 27.585 1.00 20.87 C ATOM 239 CD ARG A 14 12.205 32.876 27.265 1.00 23.11 C ATOM 240 NE ARG A 14 11.549 32.191 26.152 1.00 27.57 N ATOM 241 CZ ARG A 14 10.632 31.241 26.291 1.00 28.99 C ATOM 242 NH1 ARG A 14 10.262 30.846 27.501 1.00 31.02 N ATOM 243 NH2 ARG A 14 10.048 30.725 25.219 1.00 30.05 N1+ ATOM 244 H ARG A 14 15.017 29.521 27.094 1.00 0.00 H ATOM 245 HA ARG A 14 15.454 31.417 29.160 1.00 0.00 H ATOM 246 HB3 ARG A 14 12.810 31.261 29.283 1.00 0.00 H ATOM 247 HB2 ARG A 14 12.985 30.274 27.873 1.00 0.00 H ATOM 248 HG3 ARG A 14 14.100 32.064 26.657 1.00 0.00 H ATOM 249 HG2 ARG A 14 14.173 33.059 28.109 1.00 0.00 H ATOM 250 HD3 ARG A 14 12.296 33.937 27.034 1.00 0.00 H ATOM 251 HD2 ARG A 14 11.573 32.814 28.151 1.00 0.00 H ATOM 252 HE ARG A 14 11.836 32.485 25.229 1.00 0.00 H ATOM 253 HH12 ARG A 14 9.564 30.123 27.605 1.00 0.00 H ATOM 254 HH11 ARG A 14 10.678 31.268 28.319 1.00 0.00 H ATOM 255 HH22 ARG A 14 9.350 30.002 25.323 1.00 0.00 H ATOM 256 HH21 ARG A 14 10.301 31.055 24.298 1.00 0.00 H ATOM 257 N LEU A 15 14.353 28.528 30.210 1.00 9.76 N ATOM 258 CA LEU A 15 14.089 27.719 31.405 1.00 10.45 C ATOM 259 C LEU A 15 15.354 27.254 32.125 1.00 9.96 C ATOM 260 O LEU A 15 15.280 26.457 33.048 1.00 11.98 O ATOM 261 CB LEU A 15 13.186 26.536 31.065 1.00 10.46 C ATOM 262 CG LEU A 15 11.775 26.974 30.652 1.00 13.01 C ATOM 263 CD1 LEU A 15 10.989 25.831 29.989 1.00 12.87 C ATOM 264 CD2 LEU A 15 11.048 27.511 31.883 1.00 12.59 C ATOM 265 H LEU A 15 14.359 28.064 29.313 1.00 0.00 H ATOM 266 HA LEU A 15 13.539 28.350 32.103 1.00 0.00 H ATOM 267 HB3 LEU A 15 13.121 25.870 31.926 1.00 0.00 H ATOM 268 HB2 LEU A 15 13.636 25.957 30.259 1.00 0.00 H ATOM 269 HG LEU A 15 11.868 27.786 29.931 1.00 0.00 H ATOM 270 HD11 LEU A 15 9.996 26.185 29.713 1.00 0.00 H ATOM 271 HD12 LEU A 15 11.517 25.497 29.096 1.00 0.00 H ATOM 272 HD13 LEU A 15 10.896 25.000 30.688 1.00 0.00 H ATOM 273 HD21 LEU A 15 10.043 27.826 31.603 1.00 0.00 H ATOM 274 HD22 LEU A 15 10.986 26.728 32.639 1.00 0.00 H ATOM 275 HD23 LEU A 15 11.596 28.362 32.287 1.00 0.00 H ATOM 276 N GLY A 16 16.502 27.777 31.704 1.00 10.58 N ATOM 277 CA GLY A 16 17.764 27.467 32.351 1.00 10.19 C ATOM 278 C GLY A 16 18.400 26.119 32.095 1.00 9.16 C ATOM 279 O GLY A 16 19.164 25.645 32.940 1.00 10.25 O ATOM 280 H GLY A 16 16.510 28.407 30.915 1.00 0.00 H ATOM 281 HA3 GLY A 16 17.658 27.612 33.426 1.00 0.00 H ATOM 282 HA2 GLY A 16 18.485 28.251 32.119 1.00 0.00 H ATOM 283 N MET A 17 18.166 25.542 30.917 1.00 9.27 N ATOM 284 CA MET A 17 18.718 24.223 30.595 1.00 9.69 C ATOM 285 C MET A 17 20.107 24.228 29.986 1.00 11.47 C ATOM 286 O MET A 17 20.812 23.214 30.018 1.00 11.21 O ATOM 287 CB MET A 17 17.763 23.477 29.666 1.00 10.02 C ATOM 288 CG MET A 17 16.446 23.118 30.337 1.00 12.49 C ATOM 289 SD MET A 17 16.701 21.827 31.545 1.00 15.03 S ATOM 290 CE MET A 17 15.968 20.461 30.607 1.00 15.76 C ATOM 291 H MET A 17 17.599 26.014 30.227 1.00 0.00 H ATOM 292 HA MET A 17 18.773 23.658 31.526 1.00 0.00 H ATOM 293 HB3 MET A 17 18.245 22.568 29.305 1.00 0.00 H ATOM 294 HB2 MET A 17 17.566 24.086 28.784 1.00 0.00 H ATOM 295 HG3 MET A 17 15.736 22.775 29.584 1.00 0.00 H ATOM 296 HG2 MET A 17 16.037 24.000 30.829 1.00 0.00 H ATOM 297 HE1 MET A 17 16.026 19.544 31.194 1.00 0.00 H ATOM 298 HE2 MET A 17 14.924 20.687 30.390 1.00 0.00 H ATOM 299 HE3 MET A 17 16.512 20.329 29.672 1.00 0.00 H ATOM 300 N ASP A 18 20.524 25.374 29.458 1.00 11.61 N ATOM 301 CA ASP A 18 21.824 25.446 28.817 1.00 12.00 C ATOM 302 C ASP A 18 22.967 25.338 29.806 1.00 12.21 C ATOM 303 O ASP A 18 23.216 26.263 30.563 1.00 12.38 O ATOM 304 CB ASP A 18 21.948 26.721 27.986 1.00 13.37 C ATOM 305 CG ASP A 18 23.100 26.663 26.992 1.00 17.47 C ATOM 306 OD1 ASP A 18 23.659 25.563 26.772 1.00 17.54 O ATOM 307 OD2 ASP A 18 23.449 27.717 26.416 1.00 19.76 O1- ATOM 308 H ASP A 18 19.936 26.194 29.503 1.00 0.00 H ATOM 309 HA ASP A 18 21.900 24.600 28.134 1.00 0.00 H ATOM 310 HB3 ASP A 18 22.085 27.574 28.650 1.00 0.00 H ATOM 311 HB2 ASP A 18 21.015 26.896 27.450 1.00 0.00 H ATOM 312 N GLY A 19 23.650 24.197 29.806 1.00 10.03 N ATOM 313 CA GLY A 19 24.757 23.997 30.715 1.00 8.39 C ATOM 314 C GLY A 19 24.329 23.442 32.054 1.00 9.70 C ATOM 315 O GLY A 19 25.162 23.309 32.953 1.00 11.44 O ATOM 316 H GLY A 19 23.398 23.457 29.166 1.00 0.00 H ATOM 317 HA3 GLY A 19 25.278 24.943 30.865 1.00 0.00 H ATOM 318 HA2 GLY A 19 25.483 23.323 30.259 1.00 0.00 H ATOM 319 N TYR A 20 23.044 23.108 32.210 1.00 10.26 N ATOM 320 CA TYR A 20 22.564 22.555 33.478 1.00 9.56 C ATOM 321 C TYR A 20 23.270 21.226 33.745 1.00 9.33 C ATOM 322 O TYR A 20 23.199 20.298 32.950 1.00 9.34 O ATOM 323 CB TYR A 20 21.045 22.352 33.484 1.00 8.50 C ATOM 324 CG TYR A 20 20.525 22.013 34.860 1.00 10.24 C ATOM 325 CD1 TYR A 20 20.276 23.016 35.792 1.00 11.90 C ATOM 326 CD2 TYR A 20 20.314 20.687 35.250 1.00 11.27 C ATOM 327 CE1 TYR A 20 19.843 22.719 37.081 1.00 12.84 C ATOM 328 CE2 TYR A 20 19.880 20.373 36.538 1.00 10.84 C ATOM 329 CZ TYR A 20 19.644 21.398 37.454 1.00 14.60 C ATOM 330 OH TYR A 20 19.228 21.110 38.741 1.00 14.83 O ATOM 331 H TYR A 20 22.393 23.236 31.449 1.00 0.00 H ATOM 332 HA TYR A 20 22.822 23.250 34.277 1.00 0.00 H ATOM 333 HB3 TYR A 20 20.783 21.553 32.790 1.00 0.00 H ATOM 334 HB2 TYR A 20 20.557 23.258 33.125 1.00 0.00 H ATOM 335 HD1 TYR A 20 20.418 24.052 35.521 1.00 0.00 H ATOM 336 HD2 TYR A 20 20.487 19.884 34.549 1.00 0.00 H ATOM 337 HE1 TYR A 20 19.663 23.516 37.787 1.00 0.00 H ATOM 338 HE2 TYR A 20 19.729 19.342 36.820 1.00 0.00 H ATOM 339 HH TYR A 20 19.004 21.925 39.195 1.00 0.00 H ATOM 340 N ARG A 21 23.954 21.173 34.886 1.00 10.77 N ATOM 341 CA ARG A 21 24.742 20.025 35.313 1.00 13.21 C ATOM 342 C ARG A 21 25.738 19.613 34.226 1.00 11.95 C ATOM 343 O ARG A 21 26.042 18.435 34.062 1.00 12.31 O ATOM 344 CB ARG A 21 23.862 18.854 35.768 1.00 15.87 C ATOM 345 CG ARG A 21 23.994 18.596 37.252 1.00 24.97 C ATOM 346 CD ARG A 21 23.936 17.111 37.595 1.00 29.90 C ATOM 347 NE ARG A 21 24.688 16.252 36.666 1.00 34.40 N ATOM 348 CZ ARG A 21 25.057 14.997 36.934 1.00 35.33 C ATOM 349 NH1 ARG A 21 24.802 14.479 38.130 1.00 34.36 N ATOM 350 NH2 ARG A 21 25.727 14.277 36.029 1.00 37.03 N1+ ATOM 351 H ARG A 21 23.946 21.962 35.517 1.00 0.00 H ATOM 352 HA ARG A 21 25.325 20.341 36.178 1.00 0.00 H ATOM 353 HB3 ARG A 21 24.141 17.956 35.218 1.00 0.00 H ATOM 354 HB2 ARG A 21 22.821 19.069 35.528 1.00 0.00 H ATOM 355 HG3 ARG A 21 23.201 19.122 37.783 1.00 0.00 H ATOM 356 HG2 ARG A 21 24.935 19.014 37.610 1.00 0.00 H ATOM 357 HD3 ARG A 21 22.896 16.787 37.625 1.00 0.00 H ATOM 358 HD2 ARG A 21 24.307 16.959 38.608 1.00 0.00 H ATOM 359 HE ARG A 21 24.925 16.669 35.777 1.00 0.00 H ATOM 360 HH12 ARG A 21 25.079 13.530 38.339 1.00 0.00 H ATOM 361 HH11 ARG A 21 24.331 15.034 38.831 1.00 0.00 H ATOM 362 HH22 ARG A 21 26.002 13.329 36.241 1.00 0.00 H ATOM 363 HH21 ARG A 21 25.959 14.681 35.133 1.00 0.00 H ATOM 364 N GLY A 22 26.248 20.613 33.504 1.00 8.72 N ATOM 365 CA GLY A 22 27.210 20.383 32.444 1.00 8.07 C ATOM 366 C GLY A 22 26.659 19.929 31.113 1.00 6.41 C ATOM 367 O GLY A 22 27.427 19.605 30.215 1.00 7.79 O ATOM 368 H GLY A 22 25.965 21.565 33.689 1.00 0.00 H ATOM 369 HA3 GLY A 22 27.957 19.666 32.786 1.00 0.00 H ATOM 370 HA2 GLY A 22 27.805 21.285 32.297 1.00 0.00 H ATOM 371 N ILE A 23 25.339 19.942 30.956 1.00 7.14 N ATOM 372 CA ILE A 23 24.715 19.478 29.718 1.00 7.58 C ATOM 373 C ILE A 23 24.338 20.631 28.801 1.00 7.48 C ATOM 374 O ILE A 23 23.529 21.496 29.158 1.00 9.25 O ATOM 375 CB ILE A 23 23.454 18.636 30.007 1.00 7.88 C ATOM 376 CG1 ILE A 23 23.796 17.506 30.973 1.00 9.35 C ATOM 377 CG2 ILE A 23 22.888 18.090 28.719 1.00 8.81 C ATOM 378 CD1 ILE A 23 22.589 16.930 31.705 1.00 9.40 C ATOM 379 H ILE A 23 24.745 20.277 31.701 1.00 0.00 H ATOM 380 HA ILE A 23 25.432 18.847 29.193 1.00 0.00 H ATOM 381 HB ILE A 23 22.706 19.278 30.472 1.00 0.00 H ATOM 382 HG13 ILE A 23 24.525 17.861 31.702 1.00 0.00 H ATOM 383 HG12 ILE A 23 24.304 16.709 30.431 1.00 0.00 H ATOM 384 HG21 ILE A 23 21.999 17.498 28.935 1.00 0.00 H ATOM 385 HG22 ILE A 23 22.623 18.916 28.059 1.00 0.00 H ATOM 386 HG23 ILE A 23 23.633 17.461 28.232 1.00 0.00 H ATOM 387 HD11 ILE A 23 22.915 16.132 32.372 1.00 0.00 H ATOM 388 HD12 ILE A 23 22.107 17.716 32.287 1.00 0.00 H ATOM 389 HD13 ILE A 23 21.881 16.530 30.980 1.00 0.00 H ATOM 390 N SER A 24 24.916 20.631 27.613 1.00 7.55 N ATOM 391 CA SER A 24 24.658 21.701 26.668 1.00 8.87 C ATOM 392 C SER A 24 23.241 21.631 26.108 1.00 9.90 C ATOM 393 O SER A 24 22.627 20.568 26.066 1.00 8.44 O ATOM 394 CB SER A 24 25.661 21.636 25.517 1.00 8.67 C ATOM 395 OG SER A 24 25.439 20.477 24.733 1.00 10.92 O ATOM 396 H SER A 24 25.543 19.882 27.357 1.00 0.00 H ATOM 397 HA SER A 24 24.781 22.654 27.182 1.00 0.00 H ATOM 398 HB3 SER A 24 26.674 21.614 25.919 1.00 0.00 H ATOM 399 HB2 SER A 24 25.555 22.523 24.892 1.00 0.00 H ATOM 400 HG SER A 24 26.075 20.449 24.015 1.00 0.00 H ATOM 401 N LEU A 25 22.754 22.761 25.610 1.00 8.47 N ATOM 402 CA LEU A 25 21.429 22.833 25.014 1.00 9.46 C ATOM 403 C LEU A 25 21.262 21.836 23.846 1.00 10.18 C ATOM 404 O LEU A 25 20.209 21.217 23.718 1.00 9.61 O ATOM 405 CB LEU A 25 21.188 24.265 24.545 1.00 11.92 C ATOM 406 CG LEU A 25 19.796 24.646 24.082 1.00 13.89 C ATOM 407 CD1 LEU A 25 18.810 24.413 25.208 1.00 16.20 C ATOM 408 CD2 LEU A 25 19.829 26.112 23.688 1.00 14.13 C ATOM 409 H LEU A 25 23.308 23.605 25.638 1.00 0.00 H ATOM 410 HA LEU A 25 20.692 22.593 25.781 1.00 0.00 H ATOM 411 HB3 LEU A 25 21.904 24.508 23.760 1.00 0.00 H ATOM 412 HB2 LEU A 25 21.505 24.955 25.327 1.00 0.00 H ATOM 413 HG LEU A 25 19.518 24.040 23.219 1.00 0.00 H ATOM 414 HD11 LEU A 25 17.808 24.687 24.877 1.00 0.00 H ATOM 415 HD12 LEU A 25 18.824 23.361 25.492 1.00 0.00 H ATOM 416 HD13 LEU A 25 19.088 25.024 26.067 1.00 0.00 H ATOM 417 HD21 LEU A 25 18.840 26.420 23.349 1.00 0.00 H ATOM 418 HD22 LEU A 25 20.121 26.714 24.549 1.00 0.00 H ATOM 419 HD23 LEU A 25 20.550 26.256 22.883 1.00 0.00 H ATOM 420 N ALA A 26 22.297 21.682 23.008 1.00 9.05 N ATOM 421 CA ALA A 26 22.249 20.758 21.865 1.00 8.30 C ATOM 422 C ALA A 26 22.003 19.326 22.326 1.00 8.69 C ATOM 423 O ALA A 26 21.311 18.565 21.653 1.00 8.98 O ATOM 424 CB ALA A 26 23.519 20.835 21.061 1.00 9.44 C ATOM 425 H ALA A 26 23.146 22.210 23.151 1.00 0.00 H ATOM 426 HA ALA A 26 21.421 21.055 21.222 1.00 0.00 H ATOM 427 HB1 ALA A 26 23.460 20.143 20.221 1.00 0.00 H ATOM 428 HB2 ALA A 26 23.651 21.850 20.686 1.00 0.00 H ATOM 429 HB3 ALA A 26 24.366 20.568 21.693 1.00 0.00 H ATOM 430 N ASN A 27 22.579 18.955 23.466 1.00 7.88 N ATOM 431 CA ASN A 27 22.354 17.622 24.015 1.00 7.92 C ATOM 432 C ASN A 27 20.907 17.440 24.462 1.00 7.64 C ATOM 433 O ASN A 27 20.321 16.389 24.224 1.00 8.81 O ATOM 434 CB ASN A 27 23.330 17.331 25.139 1.00 9.46 C ATOM 435 CG ASN A 27 24.627 16.773 24.619 1.00 9.94 C ATOM 436 OD1 ASN A 27 24.650 15.701 24.008 1.00 9.33 O ATOM 437 ND2 ASN A 27 25.715 17.510 24.823 1.00 9.88 N ATOM 438 H ASN A 27 23.179 19.599 23.961 1.00 0.00 H ATOM 439 HA ASN A 27 22.545 16.902 23.219 1.00 0.00 H ATOM 440 HB3 ASN A 27 22.882 16.620 25.833 1.00 0.00 H ATOM 441 HB2 ASN A 27 23.527 18.248 25.695 1.00 0.00 H ATOM 442 HD22 ASN A 27 26.614 17.185 24.496 1.00 0.00 H ATOM 443 HD21 ASN A 27 25.643 18.394 25.305 1.00 0.00 H ATOM 444 N TRP A 28 20.319 18.468 25.077 1.00 7.39 N ATOM 445 CA TRP A 28 18.907 18.390 25.492 1.00 6.77 C ATOM 446 C TRP A 28 18.010 18.305 24.251 1.00 6.73 C ATOM 447 O TRP A 28 16.989 17.596 24.247 1.00 6.86 O ATOM 448 CB TRP A 28 18.498 19.609 26.326 1.00 6.09 C ATOM 449 CG TRP A 28 19.080 19.663 27.735 1.00 5.54 C ATOM 450 CD1 TRP A 28 19.968 20.595 28.226 1.00 6.76 C ATOM 451 CD2 TRP A 28 18.740 18.816 28.834 1.00 5.05 C ATOM 452 NE1 TRP A 28 20.177 20.386 29.569 1.00 7.36 N ATOM 453 CE2 TRP A 28 19.443 19.305 29.970 1.00 7.05 C ATOM 454 CE3 TRP A 28 17.906 17.698 28.982 1.00 7.82 C ATOM 455 CZ2 TRP A 28 19.333 18.711 31.229 1.00 7.67 C ATOM 456 CZ3 TRP A 28 17.793 17.104 30.239 1.00 7.56 C ATOM 457 CH2 TRP A 28 18.504 17.615 31.343 1.00 10.08 C ATOM 458 H TRP A 28 20.842 19.312 25.263 1.00 0.00 H ATOM 459 HA TRP A 28 18.765 17.490 26.091 1.00 0.00 H ATOM 460 HB3 TRP A 28 17.411 19.658 26.383 1.00 0.00 H ATOM 461 HB2 TRP A 28 18.767 20.519 25.790 1.00 0.00 H ATOM 462 HD1 TRP A 28 20.385 21.343 27.568 1.00 0.00 H ATOM 463 HE1 TRP A 28 20.796 20.995 30.085 1.00 0.00 H ATOM 464 HE3 TRP A 28 17.365 17.311 28.131 1.00 0.00 H ATOM 465 HZ2 TRP A 28 19.886 19.112 32.066 1.00 0.00 H ATOM 466 HZ3 TRP A 28 17.155 16.243 30.374 1.00 0.00 H ATOM 467 HH2 TRP A 28 18.386 17.124 32.298 1.00 0.00 H ATOM 468 N MET A 29 18.379 19.040 23.204 1.00 6.27 N ATOM 469 CA MET A 29 17.598 19.047 21.969 1.00 6.20 C ATOM 470 C MET A 29 17.659 17.674 21.307 1.00 8.44 C ATOM 471 O MET A 29 16.638 17.160 20.830 1.00 7.72 O ATOM 472 CB MET A 29 18.110 20.133 21.010 1.00 6.61 C ATOM 473 CG MET A 29 17.788 21.564 21.474 1.00 7.11 C ATOM 474 SD MET A 29 16.033 21.908 21.358 1.00 9.97 S ATOM 475 CE MET A 29 15.810 21.792 19.627 1.00 8.59 C ATOM 476 H MET A 29 19.213 19.607 23.254 1.00 0.00 H ATOM 477 HA MET A 29 16.559 19.266 22.217 1.00 0.00 H ATOM 478 HB3 MET A 29 17.686 19.970 20.019 1.00 0.00 H ATOM 479 HB2 MET A 29 19.188 20.027 20.886 1.00 0.00 H ATOM 480 HG3 MET A 29 18.339 22.277 20.860 1.00 0.00 H ATOM 481 HG2 MET A 29 18.116 21.693 22.506 1.00 0.00 H ATOM 482 HE1 MET A 29 14.765 21.980 19.381 1.00 0.00 H ATOM 483 HE2 MET A 29 16.439 22.530 19.129 1.00 0.00 H ATOM 484 HE3 MET A 29 16.087 20.793 19.291 1.00 0.00 H ATOM 485 N CYS A 30 18.851 17.083 21.256 1.00 8.12 N ATOM 486 CA CYS A 30 19.010 15.757 20.660 1.00 7.72 C ATOM 487 C CYS A 30 18.149 14.765 21.451 1.00 7.32 C ATOM 488 O CYS A 30 17.489 13.904 20.855 1.00 8.08 O ATOM 489 CB CYS A 30 20.481 15.359 20.662 1.00 9.43 C ATOM 490 SG CYS A 30 20.823 13.788 19.837 1.00 9.03 S ATOM 491 H CYS A 30 19.663 17.551 21.632 1.00 0.00 H ATOM 492 HA CYS A 30 18.655 15.789 19.630 1.00 0.00 H ATOM 493 HB3 CYS A 30 20.842 15.313 21.690 1.00 0.00 H ATOM 494 HB2 CYS A 30 21.069 16.148 20.194 1.00 0.00 H ATOM 495 N LEU A 31 18.114 14.909 22.777 1.00 7.68 N ATOM 496 CA LEU A 31 17.302 14.023 23.606 1.00 8.34 C ATOM 497 C LEU A 31 15.807 14.138 23.283 1.00 9.16 C ATOM 498 O LEU A 31 15.145 13.136 23.018 1.00 11.02 O ATOM 499 CB LEU A 31 17.541 14.305 25.096 1.00 9.39 C ATOM 500 CG LEU A 31 16.661 13.538 26.093 1.00 10.03 C ATOM 501 CD1 LEU A 31 17.057 12.055 26.117 1.00 10.54 C ATOM 502 CD2 LEU A 31 16.813 14.142 27.475 1.00 11.53 C ATOM 503 H LEU A 31 18.654 15.639 23.220 1.00 0.00 H ATOM 504 HA LEU A 31 17.611 12.997 23.404 1.00 0.00 H ATOM 505 HB3 LEU A 31 17.442 15.375 25.279 1.00 0.00 H ATOM 506 HB2 LEU A 31 18.590 14.125 25.331 1.00 0.00 H ATOM 507 HG LEU A 31 15.619 13.621 25.783 1.00 0.00 H ATOM 508 HD11 LEU A 31 16.426 11.521 26.828 1.00 0.00 H ATOM 509 HD12 LEU A 31 16.926 11.627 25.123 1.00 0.00 H ATOM 510 HD13 LEU A 31 18.101 11.962 26.417 1.00 0.00 H ATOM 511 HD21 LEU A 31 16.188 13.596 28.181 1.00 0.00 H ATOM 512 HD22 LEU A 31 17.855 14.077 27.788 1.00 0.00 H ATOM 513 HD23 LEU A 31 16.506 15.188 27.451 1.00 0.00 H ATOM 514 N ALA A 32 15.265 15.356 23.307 1.00 8.85 N ATOM 515 CA ALA A 32 13.837 15.556 23.007 1.00 7.43 C ATOM 516 C ALA A 32 13.457 15.061 21.600 1.00 8.01 C ATOM 517 O ALA A 32 12.407 14.450 21.402 1.00 9.07 O ATOM 518 CB ALA A 32 13.463 17.046 23.175 1.00 8.67 C ATOM 519 H ALA A 32 15.835 16.158 23.533 1.00 0.00 H ATOM 520 HA ALA A 32 13.259 14.982 23.731 1.00 0.00 H ATOM 521 HB1 ALA A 32 12.405 17.183 22.951 1.00 0.00 H ATOM 522 HB2 ALA A 32 13.660 17.357 24.201 1.00 0.00 H ATOM 523 HB3 ALA A 32 14.060 17.650 22.492 1.00 0.00 H ATOM 524 N LYS A 33 14.324 15.318 20.630 1.00 7.72 N ATOM 525 CA LYS A 33 14.104 14.921 19.244 1.00 10.16 C ATOM 526 C LYS A 33 13.881 13.425 19.134 1.00 11.48 C ATOM 527 O LYS A 33 12.870 12.977 18.596 1.00 11.21 O ATOM 528 CB LYS A 33 15.322 15.325 18.408 1.00 13.37 C ATOM 529 CG LYS A 33 15.393 14.728 17.007 1.00 19.63 C ATOM 530 CD LYS A 33 14.260 15.198 16.135 1.00 23.74 C ATOM 531 CE LYS A 33 14.489 14.793 14.676 1.00 27.53 C ATOM 532 NZ LYS A 33 14.713 13.322 14.542 1.00 30.51 N1+ ATOM 533 H LYS A 33 15.182 15.809 20.837 1.00 0.00 H ATOM 534 HA LYS A 33 13.224 15.439 18.862 1.00 0.00 H ATOM 535 HB3 LYS A 33 16.232 15.073 18.953 1.00 0.00 H ATOM 536 HB2 LYS A 33 15.366 16.412 18.339 1.00 0.00 H ATOM 537 HG3 LYS A 33 15.371 13.640 17.075 1.00 0.00 H ATOM 538 HG2 LYS A 33 16.342 14.999 16.545 1.00 0.00 H ATOM 539 HD3 LYS A 33 14.177 16.283 16.202 1.00 0.00 H ATOM 540 HD2 LYS A 33 13.325 14.764 16.490 1.00 0.00 H ATOM 541 HE3 LYS A 33 15.353 15.329 14.282 1.00 0.00 H ATOM 542 HE2 LYS A 33 13.625 15.084 14.079 1.00 0.00 H ATOM 543 HZ1 LYS A 33 13.904 12.825 14.887 1.00 0.00 H ATOM 544 HZ2 LYS A 33 14.860 13.091 13.570 1.00 0.00 H ATOM 545 HZ3 LYS A 33 15.526 13.055 15.078 1.00 0.00 H ATOM 546 N TRP A 34 14.821 12.657 19.671 1.00 10.10 N ATOM 547 CA TRP A 34 14.725 11.215 19.592 1.00 10.90 C ATOM 548 C TRP A 34 13.744 10.576 20.540 1.00 10.71 C ATOM 549 O TRP A 34 13.198 9.523 20.232 1.00 13.31 O ATOM 550 CB TRP A 34 16.117 10.588 19.689 1.00 11.06 C ATOM 551 CG TRP A 34 16.934 10.985 18.512 1.00 11.33 C ATOM 552 CD1 TRP A 34 17.953 11.881 18.494 1.00 11.54 C ATOM 553 CD2 TRP A 34 16.703 10.607 17.152 1.00 12.57 C ATOM 554 NE1 TRP A 34 18.359 12.106 17.203 1.00 13.15 N ATOM 555 CE2 TRP A 34 17.607 11.333 16.358 1.00 12.17 C ATOM 556 CE3 TRP A 34 15.807 9.727 16.527 1.00 14.55 C ATOM 557 CZ2 TRP A 34 17.649 11.216 14.970 1.00 15.28 C ATOM 558 CZ3 TRP A 34 15.845 9.606 15.138 1.00 15.93 C ATOM 559 CH2 TRP A 34 16.761 10.349 14.379 1.00 15.64 C ATOM 560 H TRP A 34 15.611 13.078 20.139 1.00 0.00 H ATOM 561 HA TRP A 34 14.363 10.992 18.588 1.00 0.00 H ATOM 562 HB3 TRP A 34 16.025 9.502 19.718 1.00 0.00 H ATOM 563 HB2 TRP A 34 16.606 10.929 20.602 1.00 0.00 H ATOM 564 HD1 TRP A 34 18.320 12.300 19.419 1.00 0.00 H ATOM 565 HE1 TRP A 34 19.105 12.760 17.015 1.00 0.00 H ATOM 566 HE3 TRP A 34 15.106 9.159 17.120 1.00 0.00 H ATOM 567 HZ2 TRP A 34 18.361 11.795 14.401 1.00 0.00 H ATOM 568 HZ3 TRP A 34 15.164 8.935 14.636 1.00 0.00 H ATOM 569 HH2 TRP A 34 16.758 10.228 13.306 1.00 0.00 H ATOM 570 N GLU A 35 13.442 11.246 21.644 1.00 8.97 N ATOM 571 CA GLU A 35 12.499 10.700 22.606 1.00 8.64 C ATOM 572 C GLU A 35 11.067 10.878 22.162 1.00 9.83 C ATOM 573 O GLU A 35 10.268 9.950 22.251 1.00 8.93 O ATOM 574 CB GLU A 35 12.649 11.358 23.991 1.00 9.66 C ATOM 575 CG GLU A 35 13.902 10.953 24.805 1.00 10.47 C ATOM 576 CD GLU A 35 13.966 9.462 25.164 1.00 14.63 C ATOM 577 OE1 GLU A 35 12.948 8.745 25.053 1.00 13.83 O ATOM 578 OE2 GLU A 35 15.054 9.008 25.570 1.00 15.83 O1- ATOM 579 H GLU A 35 13.868 12.144 21.822 1.00 0.00 H ATOM 580 HA GLU A 35 12.695 9.633 22.711 1.00 0.00 H ATOM 581 HB3 GLU A 35 11.756 11.158 24.583 1.00 0.00 H ATOM 582 HB2 GLU A 35 12.629 12.442 23.878 1.00 0.00 H ATOM 583 HG3 GLU A 35 13.947 11.547 25.718 1.00 0.00 H ATOM 584 HG2 GLU A 35 14.798 11.230 24.250 1.00 0.00 H ATOM 585 N SER A 36 10.741 12.070 21.676 1.00 9.13 N ATOM 586 CA SER A 36 9.366 12.361 21.291 1.00 9.04 C ATOM 587 C SER A 36 9.146 13.110 19.989 1.00 10.68 C ATOM 588 O SER A 36 7.997 13.363 19.617 1.00 12.17 O ATOM 589 CB SER A 36 8.747 13.205 22.390 1.00 9.99 C ATOM 590 OG SER A 36 9.404 14.463 22.421 1.00 10.15 O ATOM 591 H SER A 36 11.448 12.783 21.571 1.00 0.00 H ATOM 592 HA SER A 36 8.821 11.419 21.238 1.00 0.00 H ATOM 593 HB3 SER A 36 8.877 12.704 23.349 1.00 0.00 H ATOM 594 HB2 SER A 36 7.688 13.354 22.180 1.00 0.00 H ATOM 595 HG SER A 36 10.058 14.466 23.124 1.00 0.00 H ATOM 596 N GLY A 37 10.205 13.523 19.310 1.00 9.62 N ATOM 597 CA GLY A 37 9.989 14.296 18.102 1.00 10.33 C ATOM 598 C GLY A 37 9.434 15.666 18.468 1.00 10.25 C ATOM 599 O GLY A 37 8.682 16.266 17.697 1.00 11.71 O ATOM 600 H GLY A 37 11.134 13.298 19.637 1.00 0.00 H ATOM 601 HA3 GLY A 37 9.278 13.776 17.460 1.00 0.00 H ATOM 602 HA2 GLY A 37 10.935 14.417 17.574 1.00 0.00 H ATOM 603 N TYR A 38 9.793 16.139 19.659 1.00 9.31 N ATOM 604 CA TYR A 38 9.374 17.451 20.175 1.00 9.90 C ATOM 605 C TYR A 38 7.865 17.534 20.436 1.00 10.82 C ATOM 606 O TYR A 38 7.285 18.630 20.407 1.00 11.00 O ATOM 607 CB TYR A 38 9.746 18.578 19.198 1.00 9.64 C ATOM 608 CG TYR A 38 11.184 18.621 18.711 1.00 10.31 C ATOM 609 CD1 TYR A 38 12.259 18.333 19.562 1.00 10.55 C ATOM 610 CD2 TYR A 38 11.470 18.979 17.401 1.00 10.38 C ATOM 611 CE1 TYR A 38 13.582 18.418 19.105 1.00 10.53 C ATOM 612 CE2 TYR A 38 12.783 19.065 16.944 1.00 11.64 C ATOM 613 CZ TYR A 38 13.827 18.778 17.790 1.00 10.71 C ATOM 614 OH TYR A 38 15.116 18.834 17.296 1.00 11.82 O ATOM 615 H TYR A 38 10.386 15.588 20.263 1.00 0.00 H ATOM 616 HA TYR A 38 9.894 17.630 21.116 1.00 0.00 H ATOM 617 HB3 TYR A 38 9.490 19.539 19.645 1.00 0.00 H ATOM 618 HB2 TYR A 38 9.077 18.542 18.338 1.00 0.00 H ATOM 619 HD1 TYR A 38 12.074 18.041 20.585 1.00 0.00 H ATOM 620 HD2 TYR A 38 10.667 19.198 16.713 1.00 0.00 H ATOM 621 HE1 TYR A 38 14.400 18.204 19.777 1.00 0.00 H ATOM 622 HE2 TYR A 38 12.982 19.358 15.924 1.00 0.00 H ATOM 623 HH TYR A 38 15.725 18.485 17.951 1.00 0.00 H ATOM 624 N ASN A 39 7.253 16.401 20.776 1.00 9.69 N ATOM 625 CA ASN A 39 5.819 16.319 21.009 1.00 8.98 C ATOM 626 C ASN A 39 5.547 16.153 22.496 1.00 8.98 C ATOM 627 O ASN A 39 5.947 15.170 23.101 1.00 8.61 O ATOM 628 CB ASN A 39 5.285 15.139 20.196 1.00 9.32 C ATOM 629 CG ASN A 39 3.777 14.937 20.325 1.00 12.21 C ATOM 630 OD1 ASN A 39 3.052 15.742 20.922 1.00 12.09 O ATOM 631 ND2 ASN A 39 3.303 13.831 19.770 1.00 12.67 N ATOM 632 H ASN A 39 7.787 15.551 20.882 1.00 0.00 H ATOM 633 HA ASN A 39 5.347 17.237 20.659 1.00 0.00 H ATOM 634 HB3 ASN A 39 5.799 14.228 20.501 1.00 0.00 H ATOM 635 HB2 ASN A 39 5.543 15.277 19.146 1.00 0.00 H ATOM 636 HD22 ASN A 39 2.315 13.627 19.814 1.00 0.00 H ATOM 637 HD21 ASN A 39 3.930 13.192 19.303 1.00 0.00 H ATOM 638 N THR A 40 4.856 17.126 23.090 1.00 7.65 N ATOM 639 CA THR A 40 4.546 17.076 24.513 1.00 8.43 C ATOM 640 C THR A 40 3.484 16.037 24.897 1.00 9.81 C ATOM 641 O THR A 40 3.341 15.697 26.068 1.00 11.15 O ATOM 642 CB THR A 40 4.050 18.437 25.035 1.00 8.77 C ATOM 643 OG1 THR A 40 2.826 18.773 24.352 1.00 9.80 O ATOM 644 CG2 THR A 40 5.077 19.526 24.769 1.00 9.35 C ATOM 645 H THR A 40 4.536 17.919 22.552 1.00 0.00 H ATOM 646 HA THR A 40 5.464 16.828 25.046 1.00 0.00 H ATOM 647 HB THR A 40 3.862 18.369 26.106 1.00 0.00 H ATOM 648 HG1 THR A 40 2.227 19.208 24.963 1.00 0.00 H ATOM 649 HG21 THR A 40 4.704 20.478 25.147 1.00 0.00 H ATOM 650 HG22 THR A 40 6.011 19.277 25.273 1.00 0.00 H ATOM 651 HG23 THR A 40 5.254 19.605 23.696 1.00 0.00 H ATOM 652 N ARG A 41 2.712 15.588 23.919 1.00 11.82 N ATOM 653 CA ARG A 41 1.642 14.624 24.160 1.00 16.60 C ATOM 654 C ARG A 41 2.126 13.173 24.057 1.00 14.98 C ATOM 655 O ARG A 41 1.367 12.246 24.334 1.00 16.45 O ATOM 656 CB ARG A 41 0.518 14.856 23.133 1.00 20.48 C ATOM 657 CG ARG A 41 0.119 16.323 22.945 1.00 28.68 C ATOM 658 CD ARG A 41 -0.670 16.549 21.632 1.00 35.32 C ATOM 659 NE ARG A 41 0.105 17.215 20.569 1.00 39.08 N ATOM 660 CZ ARG A 41 -0.433 17.982 19.614 1.00 40.91 C ATOM 661 NH1 ARG A 41 -1.745 18.195 19.574 1.00 39.65 N ATOM 662 NH2 ARG A 41 0.333 18.514 18.675 1.00 42.05 N1+ ATOM 663 H ARG A 41 2.855 15.912 22.973 1.00 0.00 H ATOM 664 HA ARG A 41 1.241 14.789 25.160 1.00 0.00 H ATOM 665 HB3 ARG A 41 -0.360 14.277 23.421 1.00 0.00 H ATOM 666 HB2 ARG A 41 0.815 14.437 22.172 1.00 0.00 H ATOM 667 HG3 ARG A 41 1.014 16.945 22.941 1.00 0.00 H ATOM 668 HG2 ARG A 41 -0.487 16.645 23.792 1.00 0.00 H ATOM 669 HD3 ARG A 41 -1.566 17.132 21.845 1.00 0.00 H ATOM 670 HD2 ARG A 41 -1.040 15.592 21.264 1.00 0.00 H ATOM 671 HE ARG A 41 1.103 17.062 20.591 1.00 0.00 H ATOM 672 HH12 ARG A 41 -2.140 18.776 18.848 1.00 0.00 H ATOM 673 HH11 ARG A 41 -2.346 17.776 20.269 1.00 0.00 H ATOM 674 HH22 ARG A 41 -0.078 19.092 17.956 1.00 0.00 H ATOM 675 HH21 ARG A 41 1.328 18.342 18.677 1.00 0.00 H ATOM 676 N ALA A 42 3.377 12.973 23.647 1.00 13.60 N ATOM 677 CA ALA A 42 3.917 11.620 23.487 1.00 13.97 C ATOM 678 C ALA A 42 3.841 10.744 24.749 1.00 13.98 C ATOM 679 O ALA A 42 4.170 11.182 25.853 1.00 12.14 O ATOM 680 CB ALA A 42 5.360 11.683 22.967 1.00 12.24 C ATOM 681 H ALA A 42 3.973 13.762 23.440 1.00 0.00 H ATOM 682 HA ALA A 42 3.321 11.127 22.719 1.00 0.00 H ATOM 683 HB1 ALA A 42 5.750 10.672 22.852 1.00 0.00 H ATOM 684 HB2 ALA A 42 5.377 12.190 22.002 1.00 0.00 H ATOM 685 HB3 ALA A 42 5.979 12.232 23.677 1.00 0.00 H ATOM 686 N THR A 43 3.345 9.519 24.590 1.00 15.73 N ATOM 687 CA THR A 43 3.271 8.580 25.702 1.00 17.35 C ATOM 688 C THR A 43 3.620 7.236 25.125 1.00 17.73 C ATOM 689 O THR A 43 3.312 6.944 23.962 1.00 17.51 O ATOM 690 CB THR A 43 1.868 8.474 26.337 1.00 20.43 C ATOM 691 OG1 THR A 43 0.959 7.890 25.396 1.00 23.28 O ATOM 692 CG2 THR A 43 1.354 9.842 26.752 1.00 20.68 C ATOM 693 H THR A 43 3.010 9.223 23.684 1.00 0.00 H ATOM 694 HA THR A 43 4.000 8.854 26.464 1.00 0.00 H ATOM 695 HB THR A 43 1.925 7.835 27.218 1.00 0.00 H ATOM 696 HG1 THR A 43 1.267 7.013 25.154 1.00 0.00 H ATOM 697 HG21 THR A 43 0.364 9.739 27.196 1.00 0.00 H ATOM 698 HG22 THR A 43 2.035 10.281 27.481 1.00 0.00 H ATOM 699 HG23 THR A 43 1.293 10.489 25.877 1.00 0.00 H ATOM 700 N ASN A 44 4.277 6.417 25.929 1.00 18.70 N ATOM 701 CA ASN A 44 4.654 5.093 25.477 1.00 19.37 C ATOM 702 C ASN A 44 4.590 4.125 26.638 1.00 16.74 C ATOM 703 O ASN A 44 5.259 4.301 27.655 1.00 15.33 O ATOM 704 CB ASN A 44 6.043 5.116 24.831 1.00 22.96 C ATOM 705 CG ASN A 44 6.027 5.714 23.420 1.00 29.79 C ATOM 706 OD1 ASN A 44 5.309 5.061 22.507 1.00 32.11 O ATOM 707 ND2 ASN A 44 6.647 6.755 23.156 1.00 30.92 N ATOM 708 H ASN A 44 4.519 6.713 26.864 1.00 0.00 H ATOM 709 HA ASN A 44 3.934 4.771 24.725 1.00 0.00 H ATOM 710 HB3 ASN A 44 6.440 4.102 24.790 1.00 0.00 H ATOM 711 HB2 ASN A 44 6.725 5.688 25.459 1.00 0.00 H ATOM 712 HD22 ASN A 44 6.624 7.133 22.220 1.00 0.00 H ATOM 713 HD21 ASN A 44 7.175 7.225 23.877 1.00 0.00 H ATOM 714 N TYR A 45 3.686 3.163 26.515 1.00 16.18 N ATOM 715 CA TYR A 45 3.502 2.139 27.532 1.00 16.68 C ATOM 716 C TYR A 45 4.548 1.033 27.369 1.00 16.01 C ATOM 717 O TYR A 45 4.853 0.618 26.254 1.00 17.85 O ATOM 718 CB TYR A 45 2.094 1.542 27.418 1.00 16.04 C ATOM 719 CG TYR A 45 1.771 0.523 28.487 1.00 14.25 C ATOM 720 CD1 TYR A 45 1.884 0.827 29.849 1.00 14.01 C ATOM 721 CD2 TYR A 45 1.398 -0.765 28.130 1.00 16.03 C ATOM 722 CE1 TYR A 45 1.625 -0.143 30.828 1.00 15.12 C ATOM 723 CE2 TYR A 45 1.140 -1.734 29.091 1.00 16.37 C ATOM 724 CZ TYR A 45 1.255 -1.427 30.422 1.00 17.35 C ATOM 725 OH TYR A 45 0.999 -2.449 31.307 1.00 17.56 O ATOM 726 H TYR A 45 3.098 3.125 25.695 1.00 0.00 H ATOM 727 HA TYR A 45 3.616 2.593 28.517 1.00 0.00 H ATOM 728 HB3 TYR A 45 1.973 1.086 26.435 1.00 0.00 H ATOM 729 HB2 TYR A 45 1.357 2.345 27.450 1.00 0.00 H ATOM 730 HD1 TYR A 45 2.174 1.820 30.158 1.00 0.00 H ATOM 731 HD2 TYR A 45 1.303 -1.030 27.087 1.00 0.00 H ATOM 732 HE1 TYR A 45 1.713 0.109 31.874 1.00 0.00 H ATOM 733 HE2 TYR A 45 0.849 -2.729 28.790 1.00 0.00 H ATOM 734 HH TYR A 45 0.725 -3.231 30.823 1.00 0.00 H ATOM 735 N ASN A 46 5.110 0.585 28.482 1.00 14.62 N ATOM 736 CA ASN A 46 6.104 -0.478 28.481 1.00 15.42 C ATOM 737 C ASN A 46 5.403 -1.693 29.089 1.00 14.90 C ATOM 738 O ASN A 46 5.281 -1.816 30.312 1.00 15.31 O ATOM 739 CB ASN A 46 7.307 -0.076 29.343 1.00 16.75 C ATOM 740 CG ASN A 46 8.020 1.153 28.810 1.00 21.88 C ATOM 741 OD1 ASN A 46 8.473 1.168 27.665 1.00 24.68 O ATOM 742 ND2 ASN A 46 8.123 2.193 29.634 1.00 20.04 N ATOM 743 H ASN A 46 4.852 0.983 29.374 1.00 0.00 H ATOM 744 HA ASN A 46 6.424 -0.696 27.462 1.00 0.00 H ATOM 745 HB3 ASN A 46 8.009 -0.908 29.396 1.00 0.00 H ATOM 746 HB2 ASN A 46 6.974 0.112 30.364 1.00 0.00 H ATOM 747 HD22 ASN A 46 8.588 3.036 29.328 1.00 0.00 H ATOM 748 HD21 ASN A 46 7.736 2.140 30.565 1.00 0.00 H ATOM 749 N ALA A 47 4.889 -2.556 28.221 1.00 16.38 N ATOM 750 CA ALA A 47 4.155 -3.759 28.636 1.00 17.23 C ATOM 751 C ALA A 47 4.960 -4.669 29.561 1.00 16.46 C ATOM 752 O ALA A 47 4.395 -5.311 30.453 1.00 16.35 O ATOM 753 CB ALA A 47 3.693 -4.538 27.404 1.00 16.84 C ATOM 754 H ALA A 47 4.995 -2.398 27.229 1.00 0.00 H ATOM 755 HA ALA A 47 3.266 -3.436 29.178 1.00 0.00 H ATOM 756 HB1 ALA A 47 3.150 -5.429 27.719 1.00 0.00 H ATOM 757 HB2 ALA A 47 3.039 -3.909 26.800 1.00 0.00 H ATOM 758 HB3 ALA A 47 4.560 -4.832 26.813 1.00 0.00 H ATOM 759 N GLY A 48 6.277 -4.698 29.347 1.00 17.77 N ATOM 760 CA GLY A 48 7.166 -5.524 30.153 1.00 15.96 C ATOM 761 C GLY A 48 7.218 -5.224 31.640 1.00 16.67 C ATOM 762 O GLY A 48 7.243 -6.151 32.455 1.00 17.03 O ATOM 763 H GLY A 48 6.681 -4.138 28.610 1.00 0.00 H ATOM 764 HA3 GLY A 48 8.174 -5.473 29.741 1.00 0.00 H ATOM 765 HA2 GLY A 48 6.910 -6.574 30.008 1.00 0.00 H ATOM 766 N ASP A 49 7.237 -3.944 32.007 1.00 13.95 N ATOM 767 CA ASP A 49 7.297 -3.606 33.418 1.00 14.45 C ATOM 768 C ASP A 49 6.122 -2.779 33.918 1.00 14.98 C ATOM 769 O ASP A 49 6.133 -2.311 35.053 1.00 15.65 O ATOM 770 CB ASP A 49 8.634 -2.942 33.775 1.00 16.81 C ATOM 771 CG ASP A 49 8.836 -1.593 33.094 1.00 20.74 C ATOM 772 OD1 ASP A 49 7.897 -1.070 32.471 1.00 19.71 O ATOM 773 OD2 ASP A 49 9.953 -1.044 33.186 1.00 26.99 O1- ATOM 774 H ASP A 49 7.210 -3.217 31.306 1.00 0.00 H ATOM 775 HA ASP A 49 7.265 -4.549 33.963 1.00 0.00 H ATOM 776 HB3 ASP A 49 9.453 -3.609 33.506 1.00 0.00 H ATOM 777 HB2 ASP A 49 8.698 -2.815 34.856 1.00 0.00 H ATOM 778 N ARG A 50 5.131 -2.578 33.052 1.00 14.82 N ATOM 779 CA ARG A 50 3.925 -1.836 33.392 1.00 16.44 C ATOM 780 C ARG A 50 4.104 -0.343 33.673 1.00 16.13 C ATOM 781 O ARG A 50 3.267 0.274 34.337 1.00 18.59 O ATOM 782 CB ARG A 50 3.207 -2.508 34.566 1.00 19.87 C ATOM 783 CG ARG A 50 2.633 -3.885 34.218 1.00 24.55 C ATOM 784 CD ARG A 50 1.810 -4.451 35.368 1.00 30.38 C ATOM 785 NE ARG A 50 2.496 -5.562 36.026 1.00 36.29 N ATOM 786 CZ ARG A 50 2.156 -6.844 35.887 1.00 37.93 C ATOM 787 NH1 ARG A 50 1.119 -7.187 35.117 1.00 37.63 N ATOM 788 NH2 ARG A 50 2.884 -7.786 36.481 1.00 35.56 N1+ ATOM 789 H ARG A 50 5.197 -2.947 32.114 1.00 0.00 H ATOM 790 HA ARG A 50 3.258 -1.914 32.533 1.00 0.00 H ATOM 791 HB3 ARG A 50 2.404 -1.860 34.918 1.00 0.00 H ATOM 792 HB2 ARG A 50 3.897 -2.605 35.404 1.00 0.00 H ATOM 793 HG3 ARG A 50 3.448 -4.569 33.984 1.00 0.00 H ATOM 794 HG2 ARG A 50 2.007 -3.803 33.330 1.00 0.00 H ATOM 795 HD3 ARG A 50 0.846 -4.792 34.991 1.00 0.00 H ATOM 796 HD2 ARG A 50 1.614 -3.664 36.096 1.00 0.00 H ATOM 797 HE ARG A 50 3.274 -5.307 36.618 1.00 0.00 H ATOM 798 HH12 ARG A 50 0.866 -8.159 35.015 1.00 0.00 H ATOM 799 HH11 ARG A 50 0.589 -6.474 34.637 1.00 0.00 H ATOM 800 HH22 ARG A 50 2.631 -8.759 36.379 1.00 0.00 H ATOM 801 HH21 ARG A 50 3.689 -7.528 37.034 1.00 0.00 H ATOM 802 N SER A 51 5.174 0.248 33.159 1.00 14.62 N ATOM 803 CA SER A 51 5.400 1.670 33.377 1.00 11.92 C ATOM 804 C SER A 51 5.094 2.386 32.061 1.00 10.70 C ATOM 805 O SER A 51 4.975 1.742 31.014 1.00 9.88 O ATOM 806 CB SER A 51 6.848 1.912 33.799 1.00 10.29 C ATOM 807 OG SER A 51 7.725 1.642 32.724 1.00 10.29 O ATOM 808 H SER A 51 5.835 -0.288 32.615 1.00 0.00 H ATOM 809 HA SER A 51 4.727 2.032 34.155 1.00 0.00 H ATOM 810 HB3 SER A 51 7.094 1.264 34.640 1.00 0.00 H ATOM 811 HB2 SER A 51 6.966 2.949 34.112 1.00 0.00 H ATOM 812 HG SER A 51 7.807 0.693 32.608 1.00 0.00 H ATOM 813 N THR A 52 4.987 3.712 32.099 1.00 9.08 N ATOM 814 CA THR A 52 4.709 4.480 30.897 1.00 7.02 C ATOM 815 C THR A 52 5.640 5.691 30.872 1.00 8.04 C ATOM 816 O THR A 52 5.974 6.242 31.940 1.00 8.91 O ATOM 817 CB THR A 52 3.260 4.983 30.909 1.00 8.60 C ATOM 818 OG1 THR A 52 2.380 3.864 30.968 1.00 9.44 O ATOM 819 CG2 THR A 52 2.937 5.802 29.674 1.00 8.34 C ATOM 820 H THR A 52 5.099 4.203 32.975 1.00 0.00 H ATOM 821 HA THR A 52 4.880 3.863 30.015 1.00 0.00 H ATOM 822 HB THR A 52 3.107 5.601 31.794 1.00 0.00 H ATOM 823 HG1 THR A 52 2.739 3.205 31.567 1.00 0.00 H ATOM 824 HG21 THR A 52 1.902 6.139 29.722 1.00 0.00 H ATOM 825 HG22 THR A 52 3.599 6.667 29.628 1.00 0.00 H ATOM 826 HG23 THR A 52 3.078 5.189 28.784 1.00 0.00 H ATOM 827 N ASP A 53 6.113 6.050 29.675 1.00 8.71 N ATOM 828 CA ASP A 53 6.982 7.217 29.464 1.00 8.97 C ATOM 829 C ASP A 53 6.087 8.368 28.988 1.00 8.89 C ATOM 830 O ASP A 53 5.320 8.213 28.031 1.00 8.46 O ATOM 831 CB ASP A 53 8.035 6.915 28.412 1.00 10.64 C ATOM 832 CG ASP A 53 8.883 5.725 28.774 1.00 13.33 C ATOM 833 OD1 ASP A 53 9.321 5.649 29.937 1.00 13.99 O ATOM 834 OD2 ASP A 53 9.123 4.888 27.886 1.00 16.97 O1- ATOM 835 H ASP A 53 5.877 5.509 28.856 1.00 0.00 H ATOM 836 HA ASP A 53 7.466 7.490 30.402 1.00 0.00 H ATOM 837 HB3 ASP A 53 8.674 7.788 28.278 1.00 0.00 H ATOM 838 HB2 ASP A 53 7.548 6.735 27.453 1.00 0.00 H ATOM 839 N TYR A 54 6.235 9.524 29.633 1.00 9.53 N ATOM 840 CA TYR A 54 5.415 10.706 29.367 1.00 9.20 C ATOM 841 C TYR A 54 6.093 11.962 28.855 1.00 8.29 C ATOM 842 O TYR A 54 7.158 12.358 29.337 1.00 8.26 O ATOM 843 CB TYR A 54 4.702 11.116 30.663 1.00 7.63 C ATOM 844 CG TYR A 54 3.689 10.120 31.164 1.00 9.57 C ATOM 845 CD1 TYR A 54 4.057 9.103 32.053 1.00 9.38 C ATOM 846 CD2 TYR A 54 2.353 10.208 30.777 1.00 8.96 C ATOM 847 CE1 TYR A 54 3.110 8.204 32.549 1.00 8.65 C ATOM 848 CE2 TYR A 54 1.405 9.323 31.270 1.00 9.97 C ATOM 849 CZ TYR A 54 1.786 8.324 32.153 1.00 10.18 C ATOM 850 OH TYR A 54 0.825 7.474 32.650 1.00 9.03 O ATOM 851 H TYR A 54 6.943 9.617 30.348 1.00 0.00 H ATOM 852 HA TYR A 54 4.651 10.423 28.643 1.00 0.00 H ATOM 853 HB3 TYR A 54 4.218 12.082 30.518 1.00 0.00 H ATOM 854 HB2 TYR A 54 5.444 11.299 31.441 1.00 0.00 H ATOM 855 HD1 TYR A 54 5.086 9.005 32.365 1.00 0.00 H ATOM 856 HD2 TYR A 54 2.041 10.974 30.083 1.00 0.00 H ATOM 857 HE1 TYR A 54 3.412 7.425 33.234 1.00 0.00 H ATOM 858 HE2 TYR A 54 0.373 9.413 30.966 1.00 0.00 H ATOM 859 HH TYR A 54 1.209 6.922 33.335 1.00 0.00 H ATOM 860 N GLY A 55 5.427 12.601 27.901 1.00 9.14 N ATOM 861 CA GLY A 55 5.870 13.880 27.396 1.00 8.92 C ATOM 862 C GLY A 55 7.059 14.003 26.487 1.00 9.37 C ATOM 863 O GLY A 55 7.613 13.032 25.960 1.00 9.16 O ATOM 864 H GLY A 55 4.589 12.194 27.511 1.00 0.00 H ATOM 865 HA3 GLY A 55 5.999 14.563 28.236 1.00 0.00 H ATOM 866 HA2 GLY A 55 5.023 14.388 26.935 1.00 0.00 H ATOM 867 N ILE A 56 7.465 15.255 26.329 1.00 7.48 N ATOM 868 CA ILE A 56 8.565 15.595 25.452 1.00 8.44 C ATOM 869 C ILE A 56 9.899 14.886 25.736 1.00 7.28 C ATOM 870 O ILE A 56 10.658 14.609 24.807 1.00 8.39 O ATOM 871 CB ILE A 56 8.724 17.155 25.355 1.00 8.67 C ATOM 872 CG1 ILE A 56 9.549 17.525 24.131 1.00 8.04 C ATOM 873 CG2 ILE A 56 9.311 17.738 26.640 1.00 6.79 C ATOM 874 CD1 ILE A 56 9.311 18.945 23.691 1.00 11.51 C ATOM 875 H ILE A 56 7.004 16.002 26.828 1.00 0.00 H ATOM 876 HA ILE A 56 8.262 15.267 24.458 1.00 0.00 H ATOM 877 HB ILE A 56 7.729 17.581 25.224 1.00 0.00 H ATOM 878 HG13 ILE A 56 9.308 16.847 23.313 1.00 0.00 H ATOM 879 HG12 ILE A 56 10.607 17.387 24.352 1.00 0.00 H ATOM 880 HG21 ILE A 56 9.407 18.819 26.538 1.00 0.00 H ATOM 881 HG22 ILE A 56 8.652 17.510 27.477 1.00 0.00 H ATOM 882 HG23 ILE A 56 10.293 17.302 26.822 1.00 0.00 H ATOM 883 HD11 ILE A 56 9.922 19.162 22.815 1.00 0.00 H ATOM 884 HD12 ILE A 56 8.258 19.077 23.441 1.00 0.00 H ATOM 885 HD13 ILE A 56 9.580 19.626 24.498 1.00 0.00 H ATOM 886 N PHE A 57 10.171 14.587 27.009 1.00 7.57 N ATOM 887 CA PHE A 57 11.414 13.914 27.402 1.00 8.00 C ATOM 888 C PHE A 57 11.200 12.445 27.722 1.00 9.18 C ATOM 889 O PHE A 57 12.117 11.761 28.159 1.00 9.04 O ATOM 890 CB PHE A 57 12.025 14.591 28.623 1.00 8.21 C ATOM 891 CG PHE A 57 12.542 15.982 28.353 1.00 11.60 C ATOM 892 CD1 PHE A 57 13.451 16.214 27.315 1.00 12.10 C ATOM 893 CD2 PHE A 57 12.124 17.052 29.139 1.00 13.15 C ATOM 894 CE1 PHE A 57 13.935 17.501 27.057 1.00 13.18 C ATOM 895 CE2 PHE A 57 12.598 18.342 28.893 1.00 14.57 C ATOM 896 CZ PHE A 57 13.507 18.561 27.853 1.00 13.16 C ATOM 897 H PHE A 57 9.511 14.825 27.736 1.00 0.00 H ATOM 898 HA PHE A 57 12.122 13.988 26.576 1.00 0.00 H ATOM 899 HB3 PHE A 57 12.835 13.973 29.011 1.00 0.00 H ATOM 900 HB2 PHE A 57 11.286 14.629 29.423 1.00 0.00 H ATOM 901 HD1 PHE A 57 13.789 15.393 26.700 1.00 0.00 H ATOM 902 HD2 PHE A 57 11.427 16.888 29.948 1.00 0.00 H ATOM 903 HE1 PHE A 57 14.632 17.664 26.248 1.00 0.00 H ATOM 904 HE2 PHE A 57 12.263 19.166 29.505 1.00 0.00 H ATOM 905 HZ PHE A 57 13.877 19.559 27.669 1.00 0.00 H ATOM 906 N GLN A 58 9.968 11.982 27.544 1.00 9.12 N ATOM 907 CA GLN A 58 9.618 10.598 27.828 1.00 9.39 C ATOM 908 C GLN A 58 10.081 10.167 29.215 1.00 8.95 C ATOM 909 O GLN A 58 10.877 9.249 29.368 1.00 11.94 O ATOM 910 CB GLN A 58 10.168 9.700 26.725 1.00 6.93 C ATOM 911 CG GLN A 58 9.408 9.869 25.406 1.00 8.43 C ATOM 912 CD GLN A 58 7.991 9.316 25.479 1.00 11.37 C ATOM 913 OE1 GLN A 58 7.776 8.121 25.292 1.00 12.12 O ATOM 914 NE2 GLN A 58 7.023 10.177 25.803 1.00 9.72 N ATOM 915 H GLN A 58 9.242 12.596 27.202 1.00 0.00 H ATOM 916 HA GLN A 58 8.531 10.521 27.804 1.00 0.00 H ATOM 917 HB3 GLN A 58 10.113 8.659 27.044 1.00 0.00 H ATOM 918 HB2 GLN A 58 11.223 9.925 26.567 1.00 0.00 H ATOM 919 HG3 GLN A 58 9.953 9.366 24.607 1.00 0.00 H ATOM 920 HG2 GLN A 58 9.371 10.926 25.142 1.00 0.00 H ATOM 921 HE22 GLN A 58 6.066 9.861 25.865 1.00 0.00 H ATOM 922 HE21 GLN A 58 7.248 11.144 25.986 1.00 0.00 H ATOM 923 N ILE A 59 9.579 10.859 30.224 1.00 8.47 N ATOM 924 CA ILE A 59 9.937 10.575 31.608 1.00 9.52 C ATOM 925 C ILE A 59 9.094 9.423 32.140 1.00 9.31 C ATOM 926 O ILE A 59 7.870 9.413 32.012 1.00 8.61 O ATOM 927 CB ILE A 59 9.854 11.864 32.455 1.00 9.50 C ATOM 928 CG1 ILE A 59 10.955 12.824 31.976 1.00 10.01 C ATOM 929 CG2 ILE A 59 10.032 11.569 33.933 1.00 9.09 C ATOM 930 CD1 ILE A 59 10.848 14.221 32.520 1.00 11.00 C ATOM 931 H ILE A 59 8.927 11.610 30.047 1.00 0.00 H ATOM 932 HA ILE A 59 10.977 10.248 31.615 1.00 0.00 H ATOM 933 HB ILE A 59 8.881 12.331 32.299 1.00 0.00 H ATOM 934 HG13 ILE A 59 10.954 12.860 30.887 1.00 0.00 H ATOM 935 HG12 ILE A 59 11.931 12.411 32.232 1.00 0.00 H ATOM 936 HG21 ILE A 59 9.968 12.498 34.500 1.00 0.00 H ATOM 937 HG22 ILE A 59 9.249 10.887 34.265 1.00 0.00 H ATOM 938 HG23 ILE A 59 11.007 11.110 34.098 1.00 0.00 H ATOM 939 HD11 ILE A 59 11.665 14.827 32.129 1.00 0.00 H ATOM 940 HD12 ILE A 59 9.896 14.657 32.218 1.00 0.00 H ATOM 941 HD13 ILE A 59 10.905 14.193 33.608 1.00 0.00 H ATOM 942 N ASN A 60 9.772 8.443 32.724 1.00 9.67 N ATOM 943 CA ASN A 60 9.143 7.211 33.215 1.00 10.38 C ATOM 944 C ASN A 60 8.355 7.275 34.534 1.00 9.59 C ATOM 945 O ASN A 60 8.817 7.864 35.523 1.00 10.97 O ATOM 946 CB ASN A 60 10.225 6.135 33.291 1.00 12.86 C ATOM 947 CG ASN A 60 9.662 4.755 33.467 1.00 13.00 C ATOM 948 OD1 ASN A 60 9.595 4.244 34.580 1.00 15.40 O ATOM 949 ND2 ASN A 60 9.289 4.124 32.366 1.00 13.15 N ATOM 950 H ASN A 60 10.771 8.525 32.849 1.00 0.00 H ATOM 951 HA ASN A 60 8.439 6.892 32.446 1.00 0.00 H ATOM 952 HB3 ASN A 60 10.901 6.359 34.117 1.00 0.00 H ATOM 953 HB2 ASN A 60 10.831 6.166 32.386 1.00 0.00 H ATOM 954 HD22 ASN A 60 8.903 3.192 32.424 1.00 0.00 H ATOM 955 HD21 ASN A 60 9.390 4.574 31.467 1.00 0.00 H ATOM 956 N SER A 61 7.227 6.563 34.576 1.00 9.19 N ATOM 957 CA SER A 61 6.345 6.553 35.744 1.00 10.28 C ATOM 958 C SER A 61 6.784 5.691 36.912 1.00 12.66 C ATOM 959 O SER A 61 6.146 5.716 37.969 1.00 11.77 O ATOM 960 CB SER A 61 4.943 6.123 35.345 1.00 9.35 C ATOM 961 OG SER A 61 4.990 4.849 34.725 1.00 12.19 O ATOM 962 H SER A 61 6.954 6.003 33.781 1.00 0.00 H ATOM 963 HA SER A 61 6.277 7.579 36.107 1.00 0.00 H ATOM 964 HB3 SER A 61 4.524 6.850 34.649 1.00 0.00 H ATOM 965 HB2 SER A 61 4.313 6.072 36.233 1.00 0.00 H ATOM 966 HG SER A 61 4.236 4.327 35.009 1.00 0.00 H ATOM 967 N ARG A 62 7.834 4.889 36.733 1.00 14.40 N ATOM 968 CA ARG A 62 8.290 4.080 37.852 1.00 17.30 C ATOM 969 C ARG A 62 9.107 4.896 38.844 1.00 17.42 C ATOM 970 O ARG A 62 8.942 4.781 40.062 1.00 17.86 O ATOM 971 CB ARG A 62 9.126 2.883 37.384 1.00 20.64 C ATOM 972 CG ARG A 62 9.817 2.170 38.559 1.00 25.71 C ATOM 973 CD ARG A 62 9.948 0.668 38.349 1.00 30.91 C ATOM 974 NE ARG A 62 8.636 0.024 38.316 1.00 33.33 N ATOM 975 CZ ARG A 62 8.053 -0.425 37.208 1.00 34.99 C ATOM 976 NH1 ARG A 62 8.665 -0.313 36.035 1.00 34.43 N ATOM 977 NH2 ARG A 62 6.848 -0.971 37.277 1.00 36.75 N1+ ATOM 978 H ARG A 62 8.295 4.853 35.835 1.00 0.00 H ATOM 979 HA ARG A 62 7.412 3.697 38.372 1.00 0.00 H ATOM 980 HB3 ARG A 62 9.879 3.223 36.673 1.00 0.00 H ATOM 981 HB2 ARG A 62 8.484 2.176 36.858 1.00 0.00 H ATOM 982 HG3 ARG A 62 9.260 2.360 39.476 1.00 0.00 H ATOM 983 HG2 ARG A 62 10.806 2.602 38.713 1.00 0.00 H ATOM 984 HD3 ARG A 62 10.542 0.239 39.156 1.00 0.00 H ATOM 985 HD2 ARG A 62 10.470 0.477 37.411 1.00 0.00 H ATOM 986 HE ARG A 62 8.169 -0.071 39.206 1.00 0.00 H ATOM 987 HH12 ARG A 62 8.217 -0.656 35.197 1.00 0.00 H ATOM 988 HH11 ARG A 62 9.578 0.115 35.981 1.00 0.00 H ATOM 989 HH22 ARG A 62 6.400 -1.314 36.439 1.00 0.00 H ATOM 990 HH21 ARG A 62 6.377 -1.045 38.167 1.00 0.00 H ATOM 991 N TYR A 63 9.975 5.746 38.309 1.00 16.13 N ATOM 992 CA TYR A 63 10.862 6.517 39.159 1.00 17.17 C ATOM 993 C TYR A 63 10.581 7.986 39.336 1.00 14.71 C ATOM 994 O TYR A 63 10.769 8.526 40.418 1.00 16.22 O ATOM 995 CB TYR A 63 12.295 6.400 38.631 1.00 21.59 C ATOM 996 CG TYR A 63 12.691 5.002 38.247 1.00 27.31 C ATOM 997 CD1 TYR A 63 12.975 4.046 39.225 1.00 31.43 C ATOM 998 CD2 TYR A 63 12.751 4.619 36.909 1.00 30.01 C ATOM 999 CE1 TYR A 63 13.300 2.741 38.872 1.00 32.88 C ATOM 1000 CE2 TYR A 63 13.074 3.318 36.549 1.00 32.90 C ATOM 1001 CZ TYR A 63 13.351 2.386 37.534 1.00 34.15 C ATOM 1002 OH TYR A 63 13.685 1.093 37.178 1.00 38.35 O ATOM 1003 H TYR A 63 10.020 5.858 37.306 1.00 0.00 H ATOM 1004 HA TYR A 63 10.842 6.061 40.149 1.00 0.00 H ATOM 1005 HB3 TYR A 63 12.989 6.779 39.381 1.00 0.00 H ATOM 1006 HB2 TYR A 63 12.419 7.060 37.772 1.00 0.00 H ATOM 1007 HD1 TYR A 63 12.944 4.317 40.270 1.00 0.00 H ATOM 1008 HD2 TYR A 63 12.544 5.339 36.131 1.00 0.00 H ATOM 1009 HE1 TYR A 63 13.511 2.011 39.639 1.00 0.00 H ATOM 1010 HE2 TYR A 63 13.108 3.039 35.506 1.00 0.00 H ATOM 1011 HH TYR A 63 13.986 1.079 36.267 1.00 0.00 H ATOM 1012 N TRP A 64 10.089 8.629 38.289 1.00 12.94 N ATOM 1013 CA TRP A 64 9.935 10.071 38.341 1.00 10.97 C ATOM 1014 C TRP A 64 8.597 10.731 38.621 1.00 11.14 C ATOM 1015 O TRP A 64 8.516 11.613 39.477 1.00 10.98 O ATOM 1016 CB TRP A 64 10.584 10.651 37.096 1.00 10.44 C ATOM 1017 CG TRP A 64 11.932 10.045 36.865 1.00 10.63 C ATOM 1018 CD1 TRP A 64 12.269 9.142 35.906 1.00 11.26 C ATOM 1019 CD2 TRP A 64 13.115 10.253 37.656 1.00 11.08 C ATOM 1020 NE1 TRP A 64 13.590 8.762 36.051 1.00 12.74 N ATOM 1021 CE2 TRP A 64 14.131 9.430 37.118 1.00 12.08 C ATOM 1022 CE3 TRP A 64 13.413 11.057 38.766 1.00 13.30 C ATOM 1023 CZ2 TRP A 64 15.426 9.382 37.650 1.00 12.96 C ATOM 1024 CZ3 TRP A 64 14.701 11.015 39.297 1.00 14.00 C ATOM 1025 CH2 TRP A 64 15.693 10.178 38.733 1.00 13.57 C ATOM 1026 H TRP A 64 9.823 8.116 37.460 1.00 0.00 H ATOM 1027 HA TRP A 64 10.578 10.389 39.162 1.00 0.00 H ATOM 1028 HB3 TRP A 64 10.686 11.730 37.209 1.00 0.00 H ATOM 1029 HB2 TRP A 64 9.947 10.460 36.232 1.00 0.00 H ATOM 1030 HD1 TRP A 64 11.536 8.829 35.178 1.00 0.00 H ATOM 1031 HE1 TRP A 64 13.995 8.090 35.415 1.00 0.00 H ATOM 1032 HE3 TRP A 64 12.651 11.692 39.193 1.00 0.00 H ATOM 1033 HZ2 TRP A 64 16.168 8.735 37.207 1.00 0.00 H ATOM 1034 HZ3 TRP A 64 14.953 11.627 40.151 1.00 0.00 H ATOM 1035 HH2 TRP A 64 16.678 10.176 39.175 1.00 0.00 H ATOM 1036 N CYS A 65 7.562 10.339 37.888 1.00 11.29 N ATOM 1037 CA CYS A 65 6.246 10.925 38.089 1.00 9.95 C ATOM 1038 C CYS A 65 5.288 9.830 38.469 1.00 11.17 C ATOM 1039 O CYS A 65 5.552 8.653 38.228 1.00 11.69 O ATOM 1040 CB CYS A 65 5.774 11.631 36.828 1.00 9.63 C ATOM 1041 SG CYS A 65 5.483 10.537 35.409 1.00 9.62 S ATOM 1042 H CYS A 65 7.684 9.627 37.182 1.00 0.00 H ATOM 1043 HA CYS A 65 6.300 11.648 38.903 1.00 0.00 H ATOM 1044 HB3 CYS A 65 6.498 12.397 36.551 1.00 0.00 H ATOM 1045 HB2 CYS A 65 4.863 12.189 37.046 1.00 0.00 H ATOM 1046 N ASN A 66 4.182 10.213 39.085 1.00 11.57 N ATOM 1047 CA ASN A 66 3.178 9.260 39.526 1.00 11.65 C ATOM 1048 C ASN A 66 1.920 9.241 38.660 1.00 11.28 C ATOM 1049 O ASN A 66 1.318 10.284 38.390 1.00 9.77 O ATOM 1050 CB ASN A 66 2.804 9.570 40.979 1.00 14.26 C ATOM 1051 CG ASN A 66 1.799 8.586 41.563 1.00 17.42 C ATOM 1052 OD1 ASN A 66 1.878 7.380 41.339 1.00 18.75 O ATOM 1053 ND2 ASN A 66 0.859 9.103 42.338 1.00 19.19 N ATOM 1054 H ASN A 66 4.016 11.194 39.261 1.00 0.00 H ATOM 1055 HA ASN A 66 3.622 8.265 39.497 1.00 0.00 H ATOM 1056 HB3 ASN A 66 2.399 10.580 41.041 1.00 0.00 H ATOM 1057 HB2 ASN A 66 3.705 9.573 41.592 1.00 0.00 H ATOM 1058 HD22 ASN A 66 0.162 8.503 42.756 1.00 0.00 H ATOM 1059 HD21 ASN A 66 0.838 10.098 42.512 1.00 0.00 H ATOM 1060 N HIS A 67 1.571 8.057 38.160 1.00 10.97 N ATOM 1061 CA HIS A 67 0.347 7.904 37.382 1.00 9.64 C ATOM 1062 C HIS A 67 -0.656 6.986 38.095 1.00 10.36 C ATOM 1063 O HIS A 67 -1.737 6.732 37.597 1.00 11.33 O ATOM 1064 CB HIS A 67 0.612 7.482 35.940 1.00 0.00 C ATOM 1065 CG HIS A 67 1.191 6.101 35.736 1.00 0.00 C ATOM 1066 ND1 HIS A 67 1.351 5.233 36.738 1.00 0.00 N ATOM 1067 CD2 HIS A 67 1.643 5.467 34.603 1.00 0.00 C ATOM 1068 CE1 HIS A 67 1.885 4.102 36.251 1.00 0.00 C ATOM 1069 NE2 HIS A 67 2.088 4.194 34.937 1.00 0.00 N ATOM 1070 H HIS A 67 2.157 7.250 38.318 1.00 0.00 H ATOM 1071 HA HIS A 67 -0.115 8.890 37.336 1.00 0.00 H ATOM 1072 HB2 HIS A 67 -0.322 7.499 35.378 1.00 0.00 H ATOM 1073 HB3 HIS A 67 1.321 8.172 35.483 1.00 0.00 H ATOM 1074 HD2 HIS A 67 1.612 5.975 33.651 1.00 0.00 H ATOM 1075 HE1 HIS A 67 2.091 3.273 36.912 1.00 0.00 H ATOM 1076 HE2 HIS A 67 2.460 3.585 34.222 1.00 0.00 H ATOM 1077 N GLY A 68 -0.306 6.539 39.294 1.00 10.39 N ATOM 1078 CA GLY A 68 -1.186 5.681 40.072 1.00 11.77 C ATOM 1079 C GLY A 68 -1.311 4.221 39.662 1.00 12.93 C ATOM 1080 O GLY A 68 -1.755 3.404 40.465 1.00 14.03 O ATOM 1081 H GLY A 68 0.589 6.793 39.686 1.00 0.00 H ATOM 1082 HA3 GLY A 68 -2.180 6.128 40.108 1.00 0.00 H ATOM 1083 HA2 GLY A 68 -0.899 5.733 41.122 1.00 0.00 H ATOM 1084 N LYS A 69 -0.929 3.877 38.439 1.00 12.61 N ATOM 1085 CA LYS A 69 -1.043 2.490 38.001 1.00 13.36 C ATOM 1086 C LYS A 69 0.272 1.735 37.791 1.00 15.23 C ATOM 1087 O LYS A 69 0.272 0.611 37.299 1.00 17.18 O ATOM 1088 CB LYS A 69 -1.890 2.415 36.736 1.00 13.71 C ATOM 1089 CG LYS A 69 -1.368 3.199 35.557 1.00 16.79 C ATOM 1090 CD LYS A 69 -2.388 3.174 34.452 1.00 19.37 C ATOM 1091 CE LYS A 69 -1.892 3.853 33.208 1.00 23.25 C ATOM 1092 NZ LYS A 69 -0.932 2.973 32.504 1.00 29.50 N1+ ATOM 1093 H LYS A 69 -0.559 4.576 37.810 1.00 0.00 H ATOM 1094 HA LYS A 69 -1.591 1.958 38.779 1.00 0.00 H ATOM 1095 HB3 LYS A 69 -2.906 2.739 36.963 1.00 0.00 H ATOM 1096 HB2 LYS A 69 -2.015 1.371 36.448 1.00 0.00 H ATOM 1097 HG3 LYS A 69 -0.440 2.750 35.204 1.00 0.00 H ATOM 1098 HG2 LYS A 69 -1.185 4.230 35.859 1.00 0.00 H ATOM 1099 HD3 LYS A 69 -3.302 3.662 34.791 1.00 0.00 H ATOM 1100 HD2 LYS A 69 -2.648 2.141 34.222 1.00 0.00 H ATOM 1101 HE3 LYS A 69 -1.399 4.787 33.476 1.00 0.00 H ATOM 1102 HE2 LYS A 69 -2.735 4.069 32.552 1.00 0.00 H ATOM 1103 HZ1 LYS A 69 -1.389 2.108 32.252 1.00 0.00 H ATOM 1104 HZ2 LYS A 69 -0.602 3.434 31.668 1.00 0.00 H ATOM 1105 HZ3 LYS A 69 -0.149 2.775 33.110 1.00 0.00 H ATOM 1106 N THR A 70 1.388 2.345 38.165 1.00 15.45 N ATOM 1107 CA THR A 70 2.700 1.724 38.003 1.00 15.62 C ATOM 1108 C THR A 70 3.189 1.089 39.317 1.00 17.63 C ATOM 1109 O THR A 70 3.268 1.762 40.351 1.00 19.42 O ATOM 1110 CB THR A 70 3.727 2.780 37.549 1.00 14.38 C ATOM 1111 OG1 THR A 70 3.262 3.402 36.346 1.00 12.31 O ATOM 1112 CG2 THR A 70 5.096 2.129 37.296 1.00 13.40 C ATOM 1113 H THR A 70 1.346 3.267 38.576 1.00 0.00 H ATOM 1114 HA THR A 70 2.631 0.948 37.240 1.00 0.00 H ATOM 1115 HB THR A 70 3.829 3.537 38.327 1.00 0.00 H ATOM 1116 HG1 THR A 70 2.416 3.825 36.510 1.00 0.00 H ATOM 1117 HG21 THR A 70 5.807 2.890 36.976 1.00 0.00 H ATOM 1118 HG22 THR A 70 5.452 1.662 38.214 1.00 0.00 H ATOM 1119 HG23 THR A 70 5.001 1.372 36.518 1.00 0.00 H ATOM 1120 N PRO A 71 3.518 -0.215 39.293 1.00 18.99 N ATOM 1121 CA PRO A 71 3.992 -0.871 40.513 1.00 20.03 C ATOM 1122 C PRO A 71 5.370 -0.338 40.897 1.00 21.59 C ATOM 1123 O PRO A 71 6.199 -0.047 40.032 1.00 20.93 O ATOM 1124 CB PRO A 71 4.081 -2.343 40.102 1.00 19.61 C ATOM 1125 CG PRO A 71 3.150 -2.457 38.934 1.00 20.59 C ATOM 1126 CD PRO A 71 3.400 -1.182 38.188 1.00 19.65 C ATOM 1127 HA PRO A 71 3.281 -0.737 41.329 1.00 0.00 H ATOM 1128 HB3 PRO A 71 3.716 -2.968 40.917 1.00 0.00 H ATOM 1129 HB2 PRO A 71 5.097 -2.566 39.777 1.00 0.00 H ATOM 1130 HG3 PRO A 71 2.121 -2.467 39.294 1.00 0.00 H ATOM 1131 HG2 PRO A 71 3.453 -3.301 38.314 1.00 0.00 H ATOM 1132 HD2 PRO A 71 4.357 -1.252 37.670 1.00 0.00 H ATOM 1133 HD3 PRO A 71 2.521 -0.938 37.592 1.00 0.00 H ATOM 1134 N GLY A 72 5.587 -0.204 42.201 1.00 22.62 N ATOM 1135 CA GLY A 72 6.853 0.281 42.718 1.00 24.40 C ATOM 1136 C GLY A 72 7.184 1.710 42.340 1.00 25.15 C ATOM 1137 O GLY A 72 8.353 2.036 42.162 1.00 28.05 O ATOM 1138 H GLY A 72 4.861 -0.442 42.861 1.00 0.00 H ATOM 1139 HA3 GLY A 72 7.655 -0.376 42.383 1.00 0.00 H ATOM 1140 HA2 GLY A 72 6.860 0.184 43.804 1.00 0.00 H ATOM 1141 N ALA A 73 6.170 2.558 42.219 1.00 24.00 N ATOM 1142 CA ALA A 73 6.378 3.952 41.857 1.00 22.41 C ATOM 1143 C ALA A 73 7.077 4.721 42.978 1.00 21.96 C ATOM 1144 O ALA A 73 6.691 4.627 44.150 1.00 22.71 O ATOM 1145 CB ALA A 73 5.044 4.608 41.502 1.00 21.20 C ATOM 1146 H ALA A 73 5.225 2.241 42.379 1.00 0.00 H ATOM 1147 HA ALA A 73 7.017 3.982 40.974 1.00 0.00 H ATOM 1148 HB1 ALA A 73 5.212 5.651 41.233 1.00 0.00 H ATOM 1149 HB2 ALA A 73 4.594 4.084 40.659 1.00 0.00 H ATOM 1150 HB3 ALA A 73 4.374 4.558 42.360 1.00 0.00 H ATOM 1151 N VAL A 74 8.097 5.492 42.608 1.00 20.76 N ATOM 1152 CA VAL A 74 8.874 6.290 43.561 1.00 20.12 C ATOM 1153 C VAL A 74 8.442 7.764 43.593 1.00 19.22 C ATOM 1154 O VAL A 74 8.501 8.407 44.646 1.00 20.65 O ATOM 1155 CB VAL A 74 10.383 6.275 43.203 1.00 21.65 C ATOM 1156 CG1 VAL A 74 11.184 6.979 44.269 1.00 22.25 C ATOM 1157 CG2 VAL A 74 10.883 4.849 42.975 1.00 23.97 C ATOM 1158 H VAL A 74 8.364 5.544 41.635 1.00 0.00 H ATOM 1159 HA VAL A 74 8.747 5.867 44.557 1.00 0.00 H ATOM 1160 HB VAL A 74 10.510 6.826 42.271 1.00 0.00 H ATOM 1161 HG11 VAL A 74 12.241 6.960 44.002 1.00 0.00 H ATOM 1162 HG12 VAL A 74 10.850 8.013 44.352 1.00 0.00 H ATOM 1163 HG13 VAL A 74 11.041 6.474 45.224 1.00 0.00 H ATOM 1164 HG21 VAL A 74 11.944 4.871 42.726 1.00 0.00 H ATOM 1165 HG22 VAL A 74 10.735 4.262 43.882 1.00 0.00 H ATOM 1166 HG23 VAL A 74 10.327 4.395 42.155 1.00 0.00 H ATOM 1167 N ASN A 75 8.050 8.298 42.432 1.00 16.36 N ATOM 1168 CA ASN A 75 7.634 9.701 42.275 1.00 15.20 C ATOM 1169 C ASN A 75 8.688 10.705 42.779 1.00 14.58 C ATOM 1170 O ASN A 75 8.373 11.619 43.552 1.00 13.31 O ATOM 1171 CB ASN A 75 6.279 9.973 42.948 1.00 14.75 C ATOM 1172 CG ASN A 75 5.666 11.305 42.504 1.00 14.93 C ATOM 1173 OD1 ASN A 75 6.045 11.864 41.474 1.00 16.04 O ATOM 1174 ND2 ASN A 75 4.719 11.809 43.276 1.00 15.57 N ATOM 1175 H ASN A 75 8.028 7.730 41.597 1.00 0.00 H ATOM 1176 HA ASN A 75 7.504 9.880 41.208 1.00 0.00 H ATOM 1177 HB3 ASN A 75 6.406 9.975 44.031 1.00 0.00 H ATOM 1178 HB2 ASN A 75 5.590 9.161 42.716 1.00 0.00 H ATOM 1179 HD22 ASN A 75 4.280 12.685 43.031 1.00 0.00 H ATOM 1180 HD21 ASN A 75 4.434 11.318 44.111 1.00 0.00 H ATOM 1181 N ALA A 76 9.923 10.560 42.292 1.00 15.08 N ATOM 1182 CA ALA A 76 11.027 11.432 42.715 1.00 15.28 C ATOM 1183 C ALA A 76 10.802 12.894 42.373 1.00 14.21 C ATOM 1184 O ALA A 76 11.238 13.772 43.110 1.00 16.17 O ATOM 1185 CB ALA A 76 12.350 10.940 42.138 1.00 14.90 C ATOM 1186 H ALA A 76 10.117 9.836 41.615 1.00 0.00 H ATOM 1187 HA ALA A 76 11.100 11.360 43.800 1.00 0.00 H ATOM 1188 HB1 ALA A 76 13.156 11.599 42.462 1.00 0.00 H ATOM 1189 HB2 ALA A 76 12.546 9.927 42.489 1.00 0.00 H ATOM 1190 HB3 ALA A 76 12.295 10.942 41.049 1.00 0.00 H ATOM 1191 N CYS A 77 10.075 13.168 41.298 1.00 13.74 N ATOM 1192 CA CYS A 77 9.804 14.558 40.917 1.00 13.02 C ATOM 1193 C CYS A 77 8.627 15.170 41.675 1.00 14.96 C ATOM 1194 O CYS A 77 8.382 16.375 41.586 1.00 14.88 O ATOM 1195 CB CYS A 77 9.530 14.667 39.421 1.00 10.59 C ATOM 1196 SG CYS A 77 11.020 14.418 38.422 1.00 11.17 S ATOM 1197 H CYS A 77 9.703 12.417 40.735 1.00 0.00 H ATOM 1198 HA CYS A 77 10.693 15.148 41.141 1.00 0.00 H ATOM 1199 HB3 CYS A 77 9.106 15.647 39.201 1.00 0.00 H ATOM 1200 HB2 CYS A 77 8.776 13.933 39.136 1.00 0.00 H ATOM 1201 N HIS A 78 7.899 14.329 42.413 1.00 15.97 N ATOM 1202 CA HIS A 78 6.727 14.763 43.171 1.00 17.10 C ATOM 1203 C HIS A 78 5.770 15.496 42.242 1.00 16.61 C ATOM 1204 O HIS A 78 5.315 16.600 42.514 1.00 17.17 O ATOM 1205 CB HIS A 78 7.144 15.578 44.396 1.00 19.11 C ATOM 1206 CG HIS A 78 7.915 14.768 45.389 1.00 25.67 C ATOM 1207 ND1 HIS A 78 9.281 14.582 45.304 1.00 28.43 N ATOM 1208 CD2 HIS A 78 7.495 13.977 46.405 1.00 27.93 C ATOM 1209 CE1 HIS A 78 9.666 13.706 46.217 1.00 29.63 C ATOM 1210 NE2 HIS A 78 8.602 13.324 46.896 1.00 29.72 N ATOM 1211 H HIS A 78 8.151 13.352 42.462 1.00 0.00 H ATOM 1212 HA HIS A 78 6.217 13.869 43.529 1.00 0.00 H ATOM 1213 HB3 HIS A 78 6.257 15.991 44.876 1.00 0.00 H ATOM 1214 HB2 HIS A 78 7.746 16.429 44.077 1.00 0.00 H ATOM 1215 HD1 HIS A 78 9.817 15.087 44.613 1.00 0.00 H ATOM 1216 HD2 HIS A 78 6.450 13.957 46.678 1.00 0.00 H ATOM 1217 HE1 HIS A 78 10.707 13.430 46.295 1.00 0.00 H ATOM 1218 N LEU A 79 5.464 14.815 41.142 1.00 15.87 N ATOM 1219 CA LEU A 79 4.605 15.316 40.088 1.00 15.16 C ATOM 1220 C LEU A 79 3.672 14.235 39.562 1.00 13.42 C ATOM 1221 O LEU A 79 4.032 13.067 39.499 1.00 14.04 O ATOM 1222 CB LEU A 79 5.460 15.765 38.896 1.00 15.17 C ATOM 1223 CG LEU A 79 5.911 17.208 38.727 1.00 18.76 C ATOM 1224 CD1 LEU A 79 6.569 17.307 37.368 1.00 18.96 C ATOM 1225 CD2 LEU A 79 4.725 18.163 38.809 1.00 16.94 C ATOM 1226 H LEU A 79 5.838 13.887 41.002 1.00 0.00 H ATOM 1227 HA LEU A 79 4.020 16.158 40.459 1.00 0.00 H ATOM 1228 HB3 LEU A 79 4.976 15.439 37.975 1.00 0.00 H ATOM 1229 HB2 LEU A 79 6.332 15.115 38.826 1.00 0.00 H ATOM 1230 HG LEU A 79 6.635 17.458 39.502 1.00 0.00 H ATOM 1231 HD11 LEU A 79 6.910 18.329 37.202 1.00 0.00 H ATOM 1232 HD12 LEU A 79 7.421 16.629 37.326 1.00 0.00 H ATOM 1233 HD13 LEU A 79 5.850 17.034 36.595 1.00 0.00 H ATOM 1234 HD21 LEU A 79 5.074 19.188 38.685 1.00 0.00 H ATOM 1235 HD22 LEU A 79 4.011 17.925 38.020 1.00 0.00 H ATOM 1236 HD23 LEU A 79 4.241 18.059 39.780 1.00 0.00 H ATOM 1237 N SER A 80 2.467 14.649 39.187 1.00 12.48 N ATOM 1238 CA SER A 80 1.501 13.763 38.566 1.00 10.60 C ATOM 1239 C SER A 80 2.048 13.658 37.146 1.00 10.38 C ATOM 1240 O SER A 80 2.473 14.667 36.576 1.00 10.91 O ATOM 1241 CB SER A 80 0.129 14.448 38.503 1.00 10.11 C ATOM 1242 OG SER A 80 -0.720 13.802 37.566 1.00 11.01 O ATOM 1243 H SER A 80 2.196 15.611 39.331 1.00 0.00 H ATOM 1244 HA SER A 80 1.454 12.793 39.062 1.00 0.00 H ATOM 1245 HB3 SER A 80 0.257 15.492 38.217 1.00 0.00 H ATOM 1246 HB2 SER A 80 -0.334 14.424 39.489 1.00 0.00 H ATOM 1247 HG SER A 80 -1.372 13.275 38.034 1.00 0.00 H ATOM 1248 N CYS A 81 2.032 12.471 36.554 1.00 10.07 N ATOM 1249 CA CYS A 81 2.526 12.328 35.197 1.00 9.77 C ATOM 1250 C CYS A 81 1.717 13.170 34.226 1.00 9.26 C ATOM 1251 O CYS A 81 2.172 13.488 33.132 1.00 9.12 O ATOM 1252 CB CYS A 81 2.503 10.860 34.772 1.00 9.99 C ATOM 1253 SG CYS A 81 3.615 9.799 35.755 1.00 10.37 S ATOM 1254 H CYS A 81 1.676 11.665 37.048 1.00 0.00 H ATOM 1255 HA CYS A 81 3.559 12.675 35.171 1.00 0.00 H ATOM 1256 HB3 CYS A 81 2.769 10.784 33.718 1.00 0.00 H ATOM 1257 HB2 CYS A 81 1.484 10.479 34.842 1.00 0.00 H ATOM 1258 N SER A 82 0.507 13.527 34.634 1.00 10.05 N ATOM 1259 CA SER A 82 -0.362 14.370 33.830 1.00 10.76 C ATOM 1260 C SER A 82 0.314 15.730 33.549 1.00 9.33 C ATOM 1261 O SER A 82 0.107 16.325 32.481 1.00 11.34 O ATOM 1262 CB SER A 82 -1.690 14.575 34.582 1.00 12.69 C ATOM 1263 OG SER A 82 -2.576 15.452 33.895 1.00 21.96 O ATOM 1264 H SER A 82 0.163 13.212 35.530 1.00 0.00 H ATOM 1265 HA SER A 82 -0.564 13.871 32.882 1.00 0.00 H ATOM 1266 HB3 SER A 82 -1.486 14.972 35.576 1.00 0.00 H ATOM 1267 HB2 SER A 82 -2.176 13.610 34.728 1.00 0.00 H ATOM 1268 HG SER A 82 -2.160 16.311 33.791 1.00 0.00 H ATOM 1269 N ALA A 83 1.122 16.216 34.495 1.00 9.21 N ATOM 1270 CA ALA A 83 1.825 17.502 34.345 1.00 8.58 C ATOM 1271 C ALA A 83 2.803 17.483 33.172 1.00 9.49 C ATOM 1272 O ALA A 83 3.136 18.516 32.605 1.00 10.52 O ATOM 1273 CB ALA A 83 2.560 17.862 35.643 1.00 7.52 C ATOM 1274 H ALA A 83 1.268 15.698 35.349 1.00 0.00 H ATOM 1275 HA ALA A 83 1.080 18.274 34.152 1.00 0.00 H ATOM 1276 HB1 ALA A 83 3.075 18.814 35.517 1.00 0.00 H ATOM 1277 HB2 ALA A 83 1.841 17.943 36.458 1.00 0.00 H ATOM 1278 HB3 ALA A 83 3.287 17.085 35.877 1.00 0.00 H ATOM 1279 N LEU A 84 3.218 16.285 32.788 1.00 9.39 N ATOM 1280 CA LEU A 84 4.159 16.103 31.688 1.00 10.08 C ATOM 1281 C LEU A 84 3.499 15.989 30.309 1.00 10.31 C ATOM 1282 O LEU A 84 4.178 15.711 29.317 1.00 11.68 O ATOM 1283 CB LEU A 84 5.067 14.888 31.968 1.00 10.59 C ATOM 1284 CG LEU A 84 5.715 14.873 33.355 1.00 12.03 C ATOM 1285 CD1 LEU A 84 6.622 13.658 33.496 1.00 14.41 C ATOM 1286 CD2 LEU A 84 6.506 16.146 33.585 1.00 13.83 C ATOM 1287 H LEU A 84 2.882 15.458 33.261 1.00 0.00 H ATOM 1288 HA LEU A 84 4.800 16.984 31.665 1.00 0.00 H ATOM 1289 HB3 LEU A 84 5.845 14.836 31.206 1.00 0.00 H ATOM 1290 HB2 LEU A 84 4.496 13.971 31.827 1.00 0.00 H ATOM 1291 HG LEU A 84 4.928 14.810 34.107 1.00 0.00 H ATOM 1292 HD11 LEU A 84 7.078 13.657 34.486 1.00 0.00 H ATOM 1293 HD12 LEU A 84 6.035 12.749 33.366 1.00 0.00 H ATOM 1294 HD13 LEU A 84 7.403 13.697 32.737 1.00 0.00 H ATOM 1295 HD21 LEU A 84 6.960 16.118 34.576 1.00 0.00 H ATOM 1296 HD22 LEU A 84 7.288 16.230 32.830 1.00 0.00 H ATOM 1297 HD23 LEU A 84 5.840 17.006 33.515 1.00 0.00 H ATOM 1298 N LEU A 85 2.182 16.188 30.241 1.00 8.69 N ATOM 1299 CA LEU A 85 1.462 16.143 28.966 1.00 9.80 C ATOM 1300 C LEU A 85 0.894 17.533 28.600 1.00 10.98 C ATOM 1301 O LEU A 85 0.099 17.675 27.666 1.00 11.23 O ATOM 1302 CB LEU A 85 0.344 15.087 29.000 1.00 9.65 C ATOM 1303 CG LEU A 85 0.814 13.640 29.204 1.00 11.49 C ATOM 1304 CD1 LEU A 85 -0.388 12.713 29.324 1.00 11.69 C ATOM 1305 CD2 LEU A 85 1.700 13.226 28.035 1.00 10.42 C ATOM 1306 H LEU A 85 1.655 16.375 31.082 1.00 0.00 H ATOM 1307 HA LEU A 85 2.171 15.856 28.190 1.00 0.00 H ATOM 1308 HB3 LEU A 85 -0.239 15.150 28.081 1.00 0.00 H ATOM 1309 HB2 LEU A 85 -0.373 15.346 29.779 1.00 0.00 H ATOM 1310 HG LEU A 85 1.396 13.584 30.124 1.00 0.00 H ATOM 1311 HD11 LEU A 85 -0.045 11.689 29.468 1.00 0.00 H ATOM 1312 HD12 LEU A 85 -0.997 13.015 30.176 1.00 0.00 H ATOM 1313 HD13 LEU A 85 -0.984 12.771 28.413 1.00 0.00 H ATOM 1314 HD21 LEU A 85 2.035 12.199 28.178 1.00 0.00 H ATOM 1315 HD22 LEU A 85 1.134 13.297 27.106 1.00 0.00 H ATOM 1316 HD23 LEU A 85 2.566 13.886 27.983 1.00 0.00 H ATOM 1317 N GLN A 86 1.324 18.556 29.335 1.00 11.32 N ATOM 1318 CA GLN A 86 0.881 19.931 29.091 1.00 12.05 C ATOM 1319 C GLN A 86 1.610 20.547 27.899 1.00 12.50 C ATOM 1320 O GLN A 86 2.626 20.024 27.447 1.00 13.43 O ATOM 1321 CB GLN A 86 1.154 20.782 30.324 1.00 12.81 C ATOM 1322 CG GLN A 86 0.451 20.269 31.550 1.00 17.85 C ATOM 1323 CD GLN A 86 0.722 21.117 32.775 1.00 22.38 C ATOM 1324 OE1 GLN A 86 -0.036 22.043 33.085 1.00 26.38 O ATOM 1325 NE2 GLN A 86 1.801 20.809 33.483 1.00 24.36 N ATOM 1326 H GLN A 86 1.977 18.397 30.089 1.00 0.00 H ATOM 1327 HA GLN A 86 -0.190 19.929 28.890 1.00 0.00 H ATOM 1328 HB3 GLN A 86 0.843 21.809 30.131 1.00 0.00 H ATOM 1329 HB2 GLN A 86 2.227 20.817 30.510 1.00 0.00 H ATOM 1330 HG3 GLN A 86 0.763 19.243 31.744 1.00 0.00 H ATOM 1331 HG2 GLN A 86 -0.622 20.234 31.364 1.00 0.00 H ATOM 1332 HE22 GLN A 86 2.031 21.341 34.310 1.00 0.00 H ATOM 1333 HE21 GLN A 86 2.392 20.043 33.195 1.00 0.00 H ATOM 1334 N ASP A 87 1.051 21.621 27.342 1.00 10.56 N ATOM 1335 CA ASP A 87 1.699 22.316 26.225 1.00 10.92 C ATOM 1336 C ASP A 87 2.864 23.120 26.809 1.00 11.29 C ATOM 1337 O ASP A 87 3.866 23.335 26.146 1.00 11.81 O ATOM 1338 CB ASP A 87 0.719 23.259 25.512 1.00 12.90 C ATOM 1339 CG ASP A 87 -0.200 22.536 24.518 1.00 14.45 C ATOM 1340 OD1 ASP A 87 -0.059 21.312 24.317 1.00 16.31 O ATOM 1341 OD2 ASP A 87 -1.072 23.201 23.926 1.00 14.66 O1- ATOM 1342 H ASP A 87 0.168 21.968 27.689 1.00 0.00 H ATOM 1343 HA ASP A 87 2.082 21.584 25.514 1.00 0.00 H ATOM 1344 HB3 ASP A 87 1.279 24.035 24.989 1.00 0.00 H ATOM 1345 HB2 ASP A 87 0.112 23.779 26.254 1.00 0.00 H ATOM 1346 N ASN A 88 2.683 23.586 28.042 1.00 11.92 N ATOM 1347 CA ASN A 88 3.694 24.335 28.788 1.00 14.02 C ATOM 1348 C ASN A 88 4.646 23.285 29.364 1.00 13.29 C ATOM 1349 O ASN A 88 4.224 22.440 30.151 1.00 14.19 O ATOM 1350 CB ASN A 88 3.041 25.094 29.942 1.00 17.09 C ATOM 1351 CG ASN A 88 4.037 25.932 30.725 1.00 22.42 C ATOM 1352 OD1 ASN A 88 4.847 25.408 31.478 1.00 25.63 O ATOM 1353 ND2 ASN A 88 3.991 27.246 30.532 1.00 24.38 N ATOM 1354 H ASN A 88 1.806 23.429 28.517 1.00 0.00 H ATOM 1355 HA ASN A 88 4.229 25.020 28.130 1.00 0.00 H ATOM 1356 HB3 ASN A 88 2.557 24.385 30.614 1.00 0.00 H ATOM 1357 HB2 ASN A 88 2.253 25.738 29.552 1.00 0.00 H ATOM 1358 HD22 ASN A 88 4.630 27.852 31.027 1.00 0.00 H ATOM 1359 HD21 ASN A 88 3.317 27.639 29.891 1.00 0.00 H ATOM 1360 N ILE A 89 5.928 23.371 29.022 1.00 11.24 N ATOM 1361 CA ILE A 89 6.891 22.384 29.499 1.00 10.83 C ATOM 1362 C ILE A 89 7.661 22.737 30.777 1.00 10.70 C ATOM 1363 O ILE A 89 8.611 22.045 31.132 1.00 10.23 O ATOM 1364 CB ILE A 89 7.888 21.997 28.382 1.00 11.18 C ATOM 1365 CG1 ILE A 89 8.779 23.195 28.020 1.00 10.78 C ATOM 1366 CG2 ILE A 89 7.120 21.469 27.157 1.00 10.81 C ATOM 1367 CD1 ILE A 89 9.952 22.843 27.103 1.00 10.45 C ATOM 1368 H ILE A 89 6.243 24.124 28.427 1.00 0.00 H ATOM 1369 HA ILE A 89 6.320 21.484 29.725 1.00 0.00 H ATOM 1370 HB ILE A 89 8.527 21.197 28.756 1.00 0.00 H ATOM 1371 HG13 ILE A 89 9.159 23.652 28.934 1.00 0.00 H ATOM 1372 HG12 ILE A 89 8.172 23.968 27.549 1.00 0.00 H ATOM 1373 HG21 ILE A 89 7.827 21.198 26.373 1.00 0.00 H ATOM 1374 HG22 ILE A 89 6.540 20.591 27.442 1.00 0.00 H ATOM 1375 HG23 ILE A 89 6.448 22.244 26.787 1.00 0.00 H ATOM 1376 HD11 ILE A 89 10.533 23.741 26.894 1.00 0.00 H ATOM 1377 HD12 ILE A 89 10.588 22.106 27.593 1.00 0.00 H ATOM 1378 HD13 ILE A 89 9.572 22.431 26.168 1.00 0.00 H ATOM 1379 N ALA A 90 7.232 23.762 31.503 1.00 8.94 N ATOM 1380 CA ALA A 90 7.938 24.141 32.727 1.00 8.93 C ATOM 1381 C ALA A 90 8.087 22.981 33.718 1.00 9.86 C ATOM 1382 O ALA A 90 9.158 22.779 34.288 1.00 9.38 O ATOM 1383 CB ALA A 90 7.253 25.346 33.402 1.00 8.75 C ATOM 1384 H ALA A 90 6.417 24.282 31.211 1.00 0.00 H ATOM 1385 HA ALA A 90 8.942 24.455 32.440 1.00 0.00 H ATOM 1386 HB1 ALA A 90 7.795 25.611 34.310 1.00 0.00 H ATOM 1387 HB2 ALA A 90 7.254 26.195 32.718 1.00 0.00 H ATOM 1388 HB3 ALA A 90 6.225 25.085 33.655 1.00 0.00 H ATOM 1389 N ASP A 91 7.028 22.194 33.899 1.00 10.13 N ATOM 1390 CA ASP A 91 7.091 21.061 34.824 1.00 9.50 C ATOM 1391 C ASP A 91 7.982 19.926 34.337 1.00 8.21 C ATOM 1392 O ASP A 91 8.710 19.309 35.128 1.00 8.11 O ATOM 1393 CB ASP A 91 5.688 20.552 35.135 1.00 12.41 C ATOM 1394 CG ASP A 91 4.890 21.540 35.972 1.00 16.63 C ATOM 1395 OD1 ASP A 91 5.445 22.083 36.952 1.00 17.05 O ATOM 1396 OD2 ASP A 91 3.709 21.777 35.646 1.00 21.71 O1- ATOM 1397 H ASP A 91 6.171 22.376 33.396 1.00 0.00 H ATOM 1398 HA ASP A 91 7.516 21.429 35.758 1.00 0.00 H ATOM 1399 HB3 ASP A 91 5.756 19.601 35.664 1.00 0.00 H ATOM 1400 HB2 ASP A 91 5.158 20.356 34.203 1.00 0.00 H ATOM 1401 N ALA A 92 7.916 19.651 33.036 1.00 9.76 N ATOM 1402 CA ALA A 92 8.743 18.613 32.418 1.00 9.03 C ATOM 1403 C ALA A 92 10.214 18.987 32.601 1.00 9.95 C ATOM 1404 O ALA A 92 11.041 18.135 32.928 1.00 10.59 O ATOM 1405 CB ALA A 92 8.418 18.469 30.936 1.00 8.98 C ATOM 1406 H ALA A 92 7.281 20.165 32.443 1.00 0.00 H ATOM 1407 HA ALA A 92 8.553 17.663 32.917 1.00 0.00 H ATOM 1408 HB1 ALA A 92 9.046 17.692 30.500 1.00 0.00 H ATOM 1409 HB2 ALA A 92 7.369 18.197 30.818 1.00 0.00 H ATOM 1410 HB3 ALA A 92 8.607 19.415 30.429 1.00 0.00 H ATOM 1411 N VAL A 93 10.529 20.264 32.376 1.00 9.44 N ATOM 1412 CA VAL A 93 11.883 20.765 32.549 1.00 7.86 C ATOM 1413 C VAL A 93 12.344 20.622 34.010 1.00 8.43 C ATOM 1414 O VAL A 93 13.470 20.183 34.264 1.00 10.38 O ATOM 1415 CB VAL A 93 11.976 22.245 32.080 1.00 7.19 C ATOM 1416 CG1 VAL A 93 13.176 22.938 32.687 1.00 7.07 C ATOM 1417 CG2 VAL A 93 12.064 22.278 30.561 1.00 8.43 C ATOM 1418 H VAL A 93 9.817 20.914 32.076 1.00 0.00 H ATOM 1419 HA VAL A 93 12.548 20.169 31.924 1.00 0.00 H ATOM 1420 HB VAL A 93 11.073 22.770 32.391 1.00 0.00 H ATOM 1421 HG11 VAL A 93 13.214 23.971 32.340 1.00 0.00 H ATOM 1422 HG12 VAL A 93 13.094 22.923 33.774 1.00 0.00 H ATOM 1423 HG13 VAL A 93 14.086 22.420 32.385 1.00 0.00 H ATOM 1424 HG21 VAL A 93 12.130 23.312 30.223 1.00 0.00 H ATOM 1425 HG22 VAL A 93 12.950 21.733 30.236 1.00 0.00 H ATOM 1426 HG23 VAL A 93 11.175 21.813 30.135 1.00 0.00 H ATOM 1427 N ALA A 94 11.492 20.966 34.976 1.00 7.62 N ATOM 1428 CA ALA A 94 11.875 20.842 36.379 1.00 7.29 C ATOM 1429 C ALA A 94 12.177 19.385 36.726 1.00 8.04 C ATOM 1430 O ALA A 94 13.118 19.095 37.468 1.00 10.18 O ATOM 1431 CB ALA A 94 10.785 21.379 37.284 1.00 8.25 C ATOM 1432 H ALA A 94 10.574 21.315 34.739 1.00 0.00 H ATOM 1433 HA ALA A 94 12.779 21.429 36.542 1.00 0.00 H ATOM 1434 HB1 ALA A 94 11.093 21.276 38.325 1.00 0.00 H ATOM 1435 HB2 ALA A 94 10.611 22.431 37.059 1.00 0.00 H ATOM 1436 HB3 ALA A 94 9.866 20.816 37.120 1.00 0.00 H ATOM 1437 N CYS A 95 11.403 18.461 36.164 1.00 8.25 N ATOM 1438 CA CYS A 95 11.610 17.045 36.437 1.00 8.82 C ATOM 1439 C CYS A 95 12.855 16.511 35.722 1.00 8.61 C ATOM 1440 O CYS A 95 13.618 15.724 36.298 1.00 8.66 O ATOM 1441 CB CYS A 95 10.358 16.261 36.052 1.00 9.81 C ATOM 1442 SG CYS A 95 10.356 14.492 36.512 1.00 10.04 S ATOM 1443 H CYS A 95 10.660 18.737 35.538 1.00 0.00 H ATOM 1444 HA CYS A 95 11.763 16.928 37.510 1.00 0.00 H ATOM 1445 HB3 CYS A 95 10.191 16.354 34.979 1.00 0.00 H ATOM 1446 HB2 CYS A 95 9.483 16.746 36.484 1.00 0.00 H ATOM 1447 N ALA A 96 13.078 16.958 34.486 1.00 8.87 N ATOM 1448 CA ALA A 96 14.260 16.545 33.730 1.00 7.76 C ATOM 1449 C ALA A 96 15.520 16.991 34.496 1.00 9.20 C ATOM 1450 O ALA A 96 16.523 16.271 34.521 1.00 8.98 O ATOM 1451 CB ALA A 96 14.236 17.146 32.321 1.00 9.06 C ATOM 1452 H ALA A 96 12.424 17.595 34.054 1.00 0.00 H ATOM 1453 HA ALA A 96 14.264 15.458 33.649 1.00 0.00 H ATOM 1454 HB1 ALA A 96 15.123 16.827 31.774 1.00 0.00 H ATOM 1455 HB2 ALA A 96 13.344 16.805 31.795 1.00 0.00 H ATOM 1456 HB3 ALA A 96 14.223 18.234 32.390 1.00 0.00 H ATOM 1457 N LYS A 97 15.474 18.170 35.116 1.00 7.86 N ATOM 1458 CA LYS A 97 16.604 18.663 35.908 1.00 8.52 C ATOM 1459 C LYS A 97 16.825 17.732 37.114 1.00 10.05 C ATOM 1460 O LYS A 97 17.967 17.463 37.510 1.00 10.18 O ATOM 1461 CB LYS A 97 16.350 20.095 36.391 1.00 8.77 C ATOM 1462 CG LYS A 97 16.476 21.139 35.295 1.00 9.15 C ATOM 1463 CD LYS A 97 16.073 22.509 35.812 1.00 9.22 C ATOM 1464 CE LYS A 97 16.260 23.571 34.744 1.00 10.36 C ATOM 1465 NZ LYS A 97 15.871 24.917 35.268 1.00 11.89 N1+ ATOM 1466 H LYS A 97 14.647 18.746 35.046 1.00 0.00 H ATOM 1467 HA LYS A 97 17.500 18.654 35.287 1.00 0.00 H ATOM 1468 HB3 LYS A 97 17.043 20.333 37.198 1.00 0.00 H ATOM 1469 HB2 LYS A 97 15.357 20.156 36.836 1.00 0.00 H ATOM 1470 HG3 LYS A 97 15.835 20.864 34.457 1.00 0.00 H ATOM 1471 HG2 LYS A 97 17.507 21.173 34.943 1.00 0.00 H ATOM 1472 HD3 LYS A 97 16.678 22.760 36.683 1.00 0.00 H ATOM 1473 HD2 LYS A 97 15.028 22.487 36.123 1.00 0.00 H ATOM 1474 HE3 LYS A 97 15.645 23.327 33.878 1.00 0.00 H ATOM 1475 HE2 LYS A 97 17.304 23.591 34.431 1.00 0.00 H ATOM 1476 HZ1 LYS A 97 15.643 25.526 34.496 1.00 0.00 H ATOM 1477 HZ2 LYS A 97 15.067 24.824 35.872 1.00 0.00 H ATOM 1478 HZ3 LYS A 97 16.640 25.311 35.791 1.00 0.00 H ATOM 1479 N ARG A 98 15.735 17.262 37.716 1.00 9.47 N ATOM 1480 CA ARG A 98 15.832 16.334 38.837 1.00 9.65 C ATOM 1481 C ARG A 98 16.502 15.032 38.378 1.00 8.61 C ATOM 1482 O ARG A 98 17.394 14.520 39.052 1.00 9.65 O ATOM 1483 CB ARG A 98 14.438 16.052 39.411 1.00 9.60 C ATOM 1484 CG ARG A 98 14.383 14.938 40.450 1.00 10.38 C ATOM 1485 CD ARG A 98 15.273 15.220 41.655 1.00 12.62 C ATOM 1486 NE ARG A 98 15.314 14.096 42.593 1.00 14.93 N ATOM 1487 CZ ARG A 98 16.110 13.036 42.473 1.00 15.48 C ATOM 1488 NH1 ARG A 98 16.943 12.917 41.442 1.00 16.59 N ATOM 1489 NH2 ARG A 98 16.065 12.080 43.389 1.00 18.84 N1+ ATOM 1490 H ARG A 98 14.820 17.547 37.398 1.00 0.00 H ATOM 1491 HA ARG A 98 16.446 16.788 39.615 1.00 0.00 H ATOM 1492 HB3 ARG A 98 13.753 15.819 38.596 1.00 0.00 H ATOM 1493 HB2 ARG A 98 14.034 16.968 39.842 1.00 0.00 H ATOM 1494 HG3 ARG A 98 14.685 13.997 39.989 1.00 0.00 H ATOM 1495 HG2 ARG A 98 13.354 14.804 40.783 1.00 0.00 H ATOM 1496 HD3 ARG A 98 14.913 16.110 42.171 1.00 0.00 H ATOM 1497 HD2 ARG A 98 16.284 15.445 41.314 1.00 0.00 H ATOM 1498 HE ARG A 98 14.679 14.165 43.375 1.00 0.00 H ATOM 1499 HH12 ARG A 98 17.540 12.106 41.366 1.00 0.00 H ATOM 1500 HH11 ARG A 98 16.978 13.638 40.735 1.00 0.00 H ATOM 1501 HH22 ARG A 98 16.666 11.272 43.306 1.00 0.00 H ATOM 1502 HH21 ARG A 98 15.430 12.159 44.171 1.00 0.00 H ATOM 1503 N VAL A 99 16.066 14.505 37.235 1.00 9.43 N ATOM 1504 CA VAL A 99 16.631 13.278 36.685 1.00 10.68 C ATOM 1505 C VAL A 99 18.151 13.353 36.567 1.00 11.66 C ATOM 1506 O VAL A 99 18.857 12.461 37.038 1.00 10.98 O ATOM 1507 CB VAL A 99 16.070 12.961 35.289 1.00 10.83 C ATOM 1508 CG1 VAL A 99 16.802 11.738 34.706 1.00 11.36 C ATOM 1509 CG2 VAL A 99 14.559 12.719 35.355 1.00 9.77 C ATOM 1510 H VAL A 99 15.322 14.957 36.722 1.00 0.00 H ATOM 1511 HA VAL A 99 16.378 12.454 37.352 1.00 0.00 H ATOM 1512 HB VAL A 99 16.255 13.817 34.640 1.00 0.00 H ATOM 1513 HG11 VAL A 99 16.404 11.513 33.716 1.00 0.00 H ATOM 1514 HG12 VAL A 99 17.867 11.955 34.628 1.00 0.00 H ATOM 1515 HG13 VAL A 99 16.653 10.879 35.360 1.00 0.00 H ATOM 1516 HG21 VAL A 99 14.182 12.496 34.357 1.00 0.00 H ATOM 1517 HG22 VAL A 99 14.354 11.877 36.016 1.00 0.00 H ATOM 1518 HG23 VAL A 99 14.064 13.611 35.739 1.00 0.00 H ATOM 1519 N VAL A 100 18.654 14.426 35.962 1.00 10.38 N ATOM 1520 CA VAL A 100 20.088 14.563 35.784 1.00 11.28 C ATOM 1521 C VAL A 100 20.887 14.925 37.034 1.00 13.49 C ATOM 1522 O VAL A 100 22.104 15.025 36.974 1.00 14.77 O ATOM 1523 CB VAL A 100 20.441 15.477 34.588 1.00 9.58 C ATOM 1524 CG1 VAL A 100 19.750 14.951 33.339 1.00 10.96 C ATOM 1525 CG2 VAL A 100 20.055 16.926 34.865 1.00 11.51 C ATOM 1526 H VAL A 100 18.037 15.151 35.624 1.00 0.00 H ATOM 1527 HA VAL A 100 20.437 13.571 35.499 1.00 0.00 H ATOM 1528 HB VAL A 100 21.518 15.433 34.429 1.00 0.00 H ATOM 1529 HG11 VAL A 100 19.994 15.591 32.491 1.00 0.00 H ATOM 1530 HG12 VAL A 100 20.089 13.935 33.136 1.00 0.00 H ATOM 1531 HG13 VAL A 100 18.671 14.950 33.493 1.00 0.00 H ATOM 1532 HG21 VAL A 100 20.316 17.543 34.005 1.00 0.00 H ATOM 1533 HG22 VAL A 100 18.982 16.989 35.044 1.00 0.00 H ATOM 1534 HG23 VAL A 100 20.591 17.284 35.744 1.00 0.00 H ATOM 1535 N ARG A 101 20.222 15.119 38.163 1.00 14.24 N ATOM 1536 CA ARG A 101 20.954 15.406 39.379 1.00 15.55 C ATOM 1537 C ARG A 101 21.457 14.095 39.992 1.00 17.82 C ATOM 1538 O ARG A 101 22.199 14.090 40.973 1.00 19.94 O ATOM 1539 CB ARG A 101 20.125 16.242 40.354 1.00 16.44 C ATOM 1540 CG ARG A 101 19.995 17.685 39.874 1.00 17.27 C ATOM 1541 CD ARG A 101 19.723 18.645 41.003 1.00 17.63 C ATOM 1542 NE ARG A 101 18.444 18.369 41.644 1.00 19.75 N ATOM 1543 CZ ARG A 101 17.283 18.861 41.230 1.00 20.43 C ATOM 1544 NH1 ARG A 101 17.234 19.660 40.169 1.00 19.48 N ATOM 1545 NH2 ARG A 101 16.162 18.531 41.865 1.00 22.49 N1+ ATOM 1546 H ARG A 101 19.213 15.066 38.170 1.00 0.00 H ATOM 1547 HA ARG A 101 21.828 15.996 39.104 1.00 0.00 H ATOM 1548 HB3 ARG A 101 20.597 16.228 41.336 1.00 0.00 H ATOM 1549 HB2 ARG A 101 19.133 15.803 40.456 1.00 0.00 H ATOM 1550 HG3 ARG A 101 19.192 17.752 39.140 1.00 0.00 H ATOM 1551 HG2 ARG A 101 20.910 17.980 39.360 1.00 0.00 H ATOM 1552 HD3 ARG A 101 19.724 19.665 40.620 1.00 0.00 H ATOM 1553 HD2 ARG A 101 20.522 18.573 41.741 1.00 0.00 H ATOM 1554 HE ARG A 101 18.476 17.762 42.451 1.00 0.00 H ATOM 1555 HH12 ARG A 101 16.348 20.032 39.858 1.00 0.00 H ATOM 1556 HH11 ARG A 101 18.083 19.895 39.674 1.00 0.00 H ATOM 1557 HH22 ARG A 101 15.277 18.903 41.553 1.00 0.00 H ATOM 1558 HH21 ARG A 101 16.196 17.908 42.659 1.00 0.00 H ATOM 1559 N ASP A 102 21.044 12.976 39.412 1.00 17.32 N ATOM 1560 CA ASP A 102 21.515 11.669 39.851 1.00 18.59 C ATOM 1561 C ASP A 102 22.853 11.499 39.129 1.00 18.77 C ATOM 1562 O ASP A 102 23.050 12.083 38.062 1.00 16.93 O ATOM 1563 CB ASP A 102 20.566 10.571 39.370 1.00 21.44 C ATOM 1564 CG ASP A 102 19.420 10.319 40.322 1.00 24.11 C ATOM 1565 OD1 ASP A 102 19.243 11.089 41.293 1.00 24.57 O ATOM 1566 OD2 ASP A 102 18.707 9.320 40.093 1.00 27.37 O1- ATOM 1567 H ASP A 102 20.387 13.017 38.646 1.00 0.00 H ATOM 1568 HA ASP A 102 21.642 11.637 40.933 1.00 0.00 H ATOM 1569 HB3 ASP A 102 21.126 9.647 39.224 1.00 0.00 H ATOM 1570 HB2 ASP A 102 20.170 10.838 38.390 1.00 0.00 H ATOM 1571 N PRO A 103 23.756 10.649 39.658 1.00 19.73 N ATOM 1572 CA PRO A 103 25.088 10.377 39.091 1.00 19.77 C ATOM 1573 C PRO A 103 25.139 10.159 37.579 1.00 19.76 C ATOM 1574 O PRO A 103 26.035 10.678 36.900 1.00 20.11 O ATOM 1575 CB PRO A 103 25.510 9.106 39.820 1.00 20.69 C ATOM 1576 CG PRO A 103 24.934 9.314 41.175 1.00 21.59 C ATOM 1577 CD PRO A 103 23.536 9.830 40.865 1.00 20.47 C ATOM 1578 HA PRO A 103 25.765 11.187 39.360 1.00 0.00 H ATOM 1579 HB3 PRO A 103 26.597 9.078 39.893 1.00 0.00 H ATOM 1580 HB2 PRO A 103 25.027 8.248 39.353 1.00 0.00 H ATOM 1581 HG3 PRO A 103 25.498 10.092 41.689 1.00 0.00 H ATOM 1582 HG2 PRO A 103 24.857 8.353 41.684 1.00 0.00 H ATOM 1583 HD2 PRO A 103 22.890 8.989 40.615 1.00 0.00 H ATOM 1584 HD3 PRO A 103 23.202 10.473 41.679 1.00 0.00 H ATOM 1585 N GLN A 104 24.203 9.360 37.073 1.00 18.69 N ATOM 1586 CA GLN A 104 24.123 9.038 35.647 1.00 19.68 C ATOM 1587 C GLN A 104 23.956 10.239 34.730 1.00 17.41 C ATOM 1588 O GLN A 104 24.306 10.182 33.546 1.00 16.05 O ATOM 1589 CB GLN A 104 22.948 8.107 35.378 1.00 23.43 C ATOM 1590 CG GLN A 104 23.259 6.640 35.405 1.00 29.51 C ATOM 1591 CD GLN A 104 22.215 5.841 34.645 1.00 33.01 C ATOM 1592 OE1 GLN A 104 22.640 5.168 33.583 1.00 36.02 O ATOM 1593 NE2 GLN A 104 21.032 5.854 34.997 1.00 35.42 N ATOM 1594 H GLN A 104 23.509 8.948 37.680 1.00 0.00 H ATOM 1595 HA GLN A 104 25.039 8.519 35.364 1.00 0.00 H ATOM 1596 HB3 GLN A 104 22.499 8.362 34.418 1.00 0.00 H ATOM 1597 HB2 GLN A 104 22.151 8.319 36.090 1.00 0.00 H ATOM 1598 HG3 GLN A 104 23.297 6.296 36.439 1.00 0.00 H ATOM 1599 HG2 GLN A 104 24.240 6.469 34.962 1.00 0.00 H ATOM 1600 HE22 GLN A 104 20.346 5.319 34.484 1.00 0.00 H ATOM 1601 HE21 GLN A 104 20.750 6.400 35.798 1.00 0.00 H ATOM 1602 N GLY A 105 23.311 11.279 35.236 1.00 14.44 N ATOM 1603 CA GLY A 105 23.107 12.447 34.405 1.00 14.25 C ATOM 1604 C GLY A 105 22.181 12.118 33.250 1.00 11.86 C ATOM 1605 O GLY A 105 21.213 11.373 33.421 1.00 13.19 O ATOM 1606 H GLY A 105 22.971 11.249 36.187 1.00 0.00 H ATOM 1607 HA3 GLY A 105 24.066 12.787 34.015 1.00 0.00 H ATOM 1608 HA2 GLY A 105 22.671 13.247 35.004 1.00 0.00 H ATOM 1609 N ILE A 106 22.511 12.616 32.062 1.00 12.19 N ATOM 1610 CA ILE A 106 21.672 12.413 30.871 1.00 12.78 C ATOM 1611 C ILE A 106 21.739 10.997 30.296 1.00 13.75 C ATOM 1612 O ILE A 106 20.932 10.615 29.446 1.00 12.40 O ATOM 1613 CB ILE A 106 21.994 13.461 29.789 1.00 14.09 C ATOM 1614 CG1 ILE A 106 20.855 13.544 28.775 1.00 13.70 C ATOM 1615 CG2 ILE A 106 23.339 13.165 29.141 1.00 14.96 C ATOM 1616 CD1 ILE A 106 20.866 14.811 27.957 1.00 15.52 C ATOM 1617 H ILE A 106 23.360 13.152 31.958 1.00 0.00 H ATOM 1618 HA ILE A 106 20.640 12.582 31.178 1.00 0.00 H ATOM 1619 HB ILE A 106 22.070 14.431 30.281 1.00 0.00 H ATOM 1620 HG13 ILE A 106 19.901 13.457 29.295 1.00 0.00 H ATOM 1621 HG12 ILE A 106 20.901 12.683 28.108 1.00 0.00 H ATOM 1622 HG21 ILE A 106 23.549 13.916 28.379 1.00 0.00 H ATOM 1623 HG22 ILE A 106 24.121 13.189 29.900 1.00 0.00 H ATOM 1624 HG23 ILE A 106 23.311 12.178 28.679 1.00 0.00 H ATOM 1625 HD11 ILE A 106 20.029 14.801 27.259 1.00 0.00 H ATOM 1626 HD12 ILE A 106 20.775 15.672 28.619 1.00 0.00 H ATOM 1627 HD13 ILE A 106 21.801 14.877 27.401 1.00 0.00 H ATOM 1628 N ARG A 107 22.701 10.223 30.798 1.00 15.29 N ATOM 1629 CA ARG A 107 22.915 8.830 30.412 1.00 17.31 C ATOM 1630 C ARG A 107 21.707 8.003 30.858 1.00 16.82 C ATOM 1631 O ARG A 107 21.518 6.884 30.406 1.00 17.32 O ATOM 1632 CB ARG A 107 24.181 8.304 31.107 1.00 19.47 C ATOM 1633 CG ARG A 107 25.300 7.909 30.171 1.00 25.84 C ATOM 1634 CD ARG A 107 26.673 8.339 30.680 1.00 28.58 C ATOM 1635 NE ARG A 107 26.925 9.752 30.396 1.00 35.06 N ATOM 1636 CZ ARG A 107 28.023 10.234 29.812 1.00 36.33 C ATOM 1637 NH1 ARG A 107 29.010 9.419 29.444 1.00 36.04 N ATOM 1638 NH2 ARG A 107 28.107 11.538 29.549 1.00 36.42 N1+ ATOM 1639 H ARG A 107 23.337 10.593 31.490 1.00 0.00 H ATOM 1640 HA ARG A 107 23.031 8.760 29.330 1.00 0.00 H ATOM 1641 HB3 ARG A 107 23.920 7.453 31.736 1.00 0.00 H ATOM 1642 HB2 ARG A 107 24.546 9.054 31.809 1.00 0.00 H ATOM 1643 HG3 ARG A 107 25.123 8.349 29.189 1.00 0.00 H ATOM 1644 HG2 ARG A 107 25.289 6.828 30.029 1.00 0.00 H ATOM 1645 HD3 ARG A 107 27.443 7.731 30.205 1.00 0.00 H ATOM 1646 HD2 ARG A 107 26.731 8.169 31.755 1.00 0.00 H ATOM 1647 HE ARG A 107 26.186 10.380 30.679 1.00 0.00 H ATOM 1648 HH12 ARG A 107 29.837 9.795 29.003 1.00 0.00 H ATOM 1649 HH11 ARG A 107 28.931 8.425 29.606 1.00 0.00 H ATOM 1650 HH22 ARG A 107 28.935 11.912 29.107 1.00 0.00 H ATOM 1651 HH21 ARG A 107 27.343 12.152 29.792 1.00 0.00 H ATOM 1652 N ALA A 108 20.901 8.562 31.758 1.00 16.73 N ATOM 1653 CA ALA A 108 19.713 7.884 32.255 1.00 17.08 C ATOM 1654 C ALA A 108 18.794 7.485 31.103 1.00 16.83 C ATOM 1655 O ALA A 108 18.103 6.468 31.176 1.00 20.01 O ATOM 1656 CB ALA A 108 18.972 8.788 33.232 1.00 17.25 C ATOM 1657 H ALA A 108 21.106 9.484 32.116 1.00 0.00 H ATOM 1658 HA ALA A 108 20.022 6.981 32.782 1.00 0.00 H ATOM 1659 HB1 ALA A 108 18.084 8.275 33.600 1.00 0.00 H ATOM 1660 HB2 ALA A 108 19.625 9.030 34.070 1.00 0.00 H ATOM 1661 HB3 ALA A 108 18.676 9.707 32.725 1.00 0.00 H ATOM 1662 N TRP A 109 18.786 8.279 30.036 1.00 15.25 N ATOM 1663 CA TRP A 109 17.945 7.997 28.879 1.00 13.71 C ATOM 1664 C TRP A 109 18.758 7.212 27.871 1.00 13.52 C ATOM 1665 O TRP A 109 19.675 7.745 27.263 1.00 13.43 O ATOM 1666 CB TRP A 109 17.462 9.303 28.231 1.00 12.50 C ATOM 1667 CG TRP A 109 16.364 10.013 28.962 1.00 10.96 C ATOM 1668 CD1 TRP A 109 15.018 9.776 28.851 1.00 11.32 C ATOM 1669 CD2 TRP A 109 16.495 11.150 29.836 1.00 10.39 C ATOM 1670 NE1 TRP A 109 14.309 10.705 29.583 1.00 11.28 N ATOM 1671 CE2 TRP A 109 15.187 11.556 30.196 1.00 10.93 C ATOM 1672 CE3 TRP A 109 17.597 11.867 30.338 1.00 11.04 C ATOM 1673 CZ2 TRP A 109 14.944 12.651 31.035 1.00 9.73 C ATOM 1674 CZ3 TRP A 109 17.356 12.957 31.172 1.00 10.28 C ATOM 1675 CH2 TRP A 109 16.037 13.336 31.510 1.00 11.57 C ATOM 1676 H TRP A 109 19.372 9.101 30.014 1.00 0.00 H ATOM 1677 HA TRP A 109 17.084 7.406 29.191 1.00 0.00 H ATOM 1678 HB3 TRP A 109 17.142 9.101 27.209 1.00 0.00 H ATOM 1679 HB2 TRP A 109 18.308 9.979 28.108 1.00 0.00 H ATOM 1680 HD1 TRP A 109 14.663 8.952 28.250 1.00 0.00 H ATOM 1681 HE1 TRP A 109 13.300 10.673 29.597 1.00 0.00 H ATOM 1682 HE3 TRP A 109 18.601 11.568 30.075 1.00 0.00 H ATOM 1683 HZ2 TRP A 109 13.930 12.926 31.284 1.00 0.00 H ATOM 1684 HZ3 TRP A 109 18.183 13.526 31.570 1.00 0.00 H ATOM 1685 HH2 TRP A 109 15.900 14.188 32.159 1.00 0.00 H ATOM 1686 N VAL A 110 18.382 5.962 27.636 1.00 15.37 N ATOM 1687 CA VAL A 110 19.120 5.123 26.695 1.00 17.15 C ATOM 1688 C VAL A 110 19.184 5.715 25.305 1.00 15.79 C ATOM 1689 O VAL A 110 20.205 5.582 24.611 1.00 15.19 O ATOM 1690 CB VAL A 110 18.526 3.711 26.566 1.00 18.81 C ATOM 1691 CG1 VAL A 110 19.485 2.833 25.776 1.00 19.41 C ATOM 1692 CG2 VAL A 110 18.266 3.127 27.930 1.00 20.93 C ATOM 1693 H VAL A 110 17.576 5.579 28.110 1.00 0.00 H ATOM 1694 HA VAL A 110 20.141 5.024 27.064 1.00 0.00 H ATOM 1695 HB VAL A 110 17.582 3.775 26.025 1.00 0.00 H ATOM 1696 HG11 VAL A 110 19.067 1.831 25.682 1.00 0.00 H ATOM 1697 HG12 VAL A 110 19.634 3.258 24.783 1.00 0.00 H ATOM 1698 HG13 VAL A 110 20.442 2.780 26.295 1.00 0.00 H ATOM 1699 HG21 VAL A 110 17.845 2.127 27.824 1.00 0.00 H ATOM 1700 HG22 VAL A 110 19.202 3.070 28.486 1.00 0.00 H ATOM 1701 HG23 VAL A 110 17.562 3.761 28.469 1.00 0.00 H ATOM 1702 N ALA A 111 18.094 6.344 24.880 1.00 13.96 N ATOM 1703 CA ALA A 111 18.059 6.962 23.562 1.00 14.35 C ATOM 1704 C ALA A 111 19.196 7.975 23.390 1.00 13.64 C ATOM 1705 O ALA A 111 19.715 8.130 22.285 1.00 13.33 O ATOM 1706 CB ALA A 111 16.710 7.630 23.311 1.00 15.95 C ATOM 1707 H ALA A 111 17.278 6.397 25.473 1.00 0.00 H ATOM 1708 HA ALA A 111 18.191 6.177 22.817 1.00 0.00 H ATOM 1709 HB1 ALA A 111 16.708 8.085 22.320 1.00 0.00 H ATOM 1710 HB2 ALA A 111 15.918 6.884 23.369 1.00 0.00 H ATOM 1711 HB3 ALA A 111 16.539 8.400 24.064 1.00 0.00 H ATOM 1712 N TRP A 112 19.570 8.668 24.467 1.00 13.16 N ATOM 1713 CA TRP A 112 20.660 9.638 24.384 1.00 12.32 C ATOM 1714 C TRP A 112 21.983 8.914 24.036 1.00 12.24 C ATOM 1715 O TRP A 112 22.757 9.375 23.190 1.00 10.81 O ATOM 1716 CB TRP A 112 20.811 10.426 25.694 1.00 11.84 C ATOM 1717 CG TRP A 112 21.889 11.487 25.590 1.00 13.33 C ATOM 1718 CD1 TRP A 112 21.763 12.737 25.035 1.00 13.00 C ATOM 1719 CD2 TRP A 112 23.272 11.356 25.969 1.00 13.56 C ATOM 1720 NE1 TRP A 112 22.978 13.377 25.034 1.00 13.40 N ATOM 1721 CE2 TRP A 112 23.923 12.561 25.603 1.00 15.05 C ATOM 1722 CE3 TRP A 112 24.024 10.338 26.579 1.00 14.26 C ATOM 1723 CZ2 TRP A 112 25.292 12.779 25.826 1.00 13.60 C ATOM 1724 CZ3 TRP A 112 25.387 10.554 26.799 1.00 14.57 C ATOM 1725 CH2 TRP A 112 26.004 11.769 26.422 1.00 15.17 C ATOM 1726 H TRP A 112 19.099 8.524 25.349 1.00 0.00 H ATOM 1727 HA TRP A 112 20.433 10.342 23.584 1.00 0.00 H ATOM 1728 HB3 TRP A 112 21.055 9.739 26.504 1.00 0.00 H ATOM 1729 HB2 TRP A 112 19.861 10.898 25.945 1.00 0.00 H ATOM 1730 HD1 TRP A 112 20.801 13.075 24.679 1.00 0.00 H ATOM 1731 HE1 TRP A 112 23.058 14.307 24.649 1.00 0.00 H ATOM 1732 HE3 TRP A 112 23.547 9.413 26.867 1.00 0.00 H ATOM 1733 HZ2 TRP A 112 25.745 13.714 25.531 1.00 0.00 H ATOM 1734 HZ3 TRP A 112 25.987 9.786 27.264 1.00 0.00 H ATOM 1735 HH2 TRP A 112 27.060 11.892 26.613 1.00 0.00 H ATOM 1736 N ARG A 113 22.221 7.763 24.656 1.00 13.06 N ATOM 1737 CA ARG A 113 23.441 7.012 24.380 1.00 14.14 C ATOM 1738 C ARG A 113 23.465 6.482 22.955 1.00 14.20 C ATOM 1739 O ARG A 113 24.500 6.511 22.295 1.00 13.88 O ATOM 1740 CB ARG A 113 23.593 5.857 25.372 1.00 17.33 C ATOM 1741 CG ARG A 113 24.029 6.301 26.753 1.00 21.84 C ATOM 1742 CD ARG A 113 23.080 5.830 27.817 1.00 27.45 C ATOM 1743 NE ARG A 113 23.049 4.378 27.941 1.00 31.35 N ATOM 1744 CZ ARG A 113 22.806 3.730 29.078 1.00 34.27 C ATOM 1745 NH1 ARG A 113 22.581 4.408 30.193 1.00 35.17 N ATOM 1746 NH2 ARG A 113 22.781 2.402 29.099 1.00 35.18 N1+ ATOM 1747 H ARG A 113 21.555 7.402 25.324 1.00 0.00 H ATOM 1748 HA ARG A 113 24.290 7.684 24.507 1.00 0.00 H ATOM 1749 HB3 ARG A 113 24.311 5.136 24.980 1.00 0.00 H ATOM 1750 HB2 ARG A 113 22.649 5.318 25.447 1.00 0.00 H ATOM 1751 HG3 ARG A 113 24.094 7.389 26.781 1.00 0.00 H ATOM 1752 HG2 ARG A 113 25.027 5.914 26.960 1.00 0.00 H ATOM 1753 HD3 ARG A 113 22.077 6.196 27.596 1.00 0.00 H ATOM 1754 HD2 ARG A 113 23.362 6.269 28.774 1.00 0.00 H ATOM 1755 HE ARG A 113 23.227 3.860 27.093 1.00 0.00 H ATOM 1756 HH12 ARG A 113 22.397 3.915 31.055 1.00 0.00 H ATOM 1757 HH11 ARG A 113 22.594 5.418 30.181 1.00 0.00 H ATOM 1758 HH22 ARG A 113 22.596 1.914 29.964 1.00 0.00 H ATOM 1759 HH21 ARG A 113 22.947 1.880 28.250 1.00 0.00 H ATOM 1760 N ASN A 114 22.317 6.013 22.474 1.00 15.79 N ATOM 1761 CA ASN A 114 22.227 5.460 21.125 1.00 15.79 C ATOM 1762 C ASN A 114 22.352 6.499 20.034 1.00 16.64 C ATOM 1763 O ASN A 114 22.998 6.250 19.020 1.00 17.22 O ATOM 1764 CB ASN A 114 20.899 4.731 20.901 1.00 16.34 C ATOM 1765 CG ASN A 114 20.670 3.588 21.873 1.00 19.71 C ATOM 1766 OD1 ASN A 114 21.571 3.145 22.574 1.00 20.33 O ATOM 1767 ND2 ASN A 114 19.430 3.120 21.930 1.00 24.58 N ATOM 1768 H ASN A 114 21.484 6.035 23.045 1.00 0.00 H ATOM 1769 HA ASN A 114 23.035 4.739 21.000 1.00 0.00 H ATOM 1770 HB3 ASN A 114 20.863 4.351 19.880 1.00 0.00 H ATOM 1771 HB2 ASN A 114 20.078 5.443 20.980 1.00 0.00 H ATOM 1772 HD22 ASN A 114 19.206 2.359 22.555 1.00 0.00 H ATOM 1773 HD21 ASN A 114 18.710 3.524 21.348 1.00 0.00 H ATOM 1774 N ARG A 115 21.711 7.656 20.199 1.00 16.15 N ATOM 1775 CA ARG A 115 21.786 8.643 19.129 1.00 16.82 C ATOM 1776 C ARG A 115 22.396 10.003 19.322 1.00 14.90 C ATOM 1777 O ARG A 115 22.435 10.774 18.362 1.00 16.42 O ATOM 1778 CB ARG A 115 20.451 8.823 18.423 1.00 19.58 C ATOM 1779 CG ARG A 115 19.235 8.571 19.250 1.00 22.73 C ATOM 1780 CD ARG A 115 18.525 7.336 18.720 1.00 24.53 C ATOM 1781 NE ARG A 115 18.486 7.307 17.258 1.00 26.30 N ATOM 1782 CZ ARG A 115 17.783 6.432 16.542 1.00 27.36 C ATOM 1783 NH1 ARG A 115 17.026 5.525 17.146 1.00 30.41 N ATOM 1784 NH2 ARG A 115 17.818 6.479 15.217 1.00 26.12 N1+ ATOM 1785 H ARG A 115 21.192 7.829 21.048 1.00 0.00 H ATOM 1786 HA ARG A 115 22.421 8.172 18.379 1.00 0.00 H ATOM 1787 HB3 ARG A 115 20.423 8.186 17.539 1.00 0.00 H ATOM 1788 HB2 ARG A 115 20.399 9.828 18.003 1.00 0.00 H ATOM 1789 HG3 ARG A 115 18.567 9.430 19.185 1.00 0.00 H ATOM 1790 HG2 ARG A 115 19.529 8.404 20.286 1.00 0.00 H ATOM 1791 HD3 ARG A 115 17.508 7.307 19.110 1.00 0.00 H ATOM 1792 HD2 ARG A 115 19.030 6.442 19.087 1.00 0.00 H ATOM 1793 HE ARG A 115 19.040 8.011 16.792 1.00 0.00 H ATOM 1794 HH12 ARG A 115 16.495 4.864 16.597 1.00 0.00 H ATOM 1795 HH11 ARG A 115 16.981 5.496 18.155 1.00 0.00 H ATOM 1796 HH22 ARG A 115 17.285 5.815 14.674 1.00 0.00 H ATOM 1797 HH21 ARG A 115 18.378 7.179 14.751 1.00 0.00 H ATOM 1798 N CYS A 116 22.915 10.301 20.506 1.00 13.65 N ATOM 1799 CA CYS A 116 23.506 11.622 20.728 1.00 12.45 C ATOM 1800 C CYS A 116 24.942 11.556 21.219 1.00 13.32 C ATOM 1801 O CYS A 116 25.796 12.324 20.776 1.00 13.39 O ATOM 1802 CB CYS A 116 22.679 12.422 21.738 1.00 10.50 C ATOM 1803 SG CYS A 116 20.896 12.494 21.370 1.00 11.57 S ATOM 1804 H CYS A 116 22.901 9.618 21.250 1.00 0.00 H ATOM 1805 HA CYS A 116 23.497 12.161 19.780 1.00 0.00 H ATOM 1806 HB3 CYS A 116 23.075 13.435 21.806 1.00 0.00 H ATOM 1807 HB2 CYS A 116 22.825 12.006 22.735 1.00 0.00 H ATOM 1808 N GLN A 117 25.189 10.664 22.173 1.00 14.16 N ATOM 1809 CA GLN A 117 26.515 10.515 22.751 1.00 15.98 C ATOM 1810 C GLN A 117 27.590 10.312 21.698 1.00 17.55 C ATOM 1811 O GLN A 117 27.410 9.542 20.759 1.00 16.73 O ATOM 1812 CB GLN A 117 26.532 9.354 23.739 1.00 16.78 C ATOM 1813 CG GLN A 117 27.895 9.102 24.363 1.00 18.32 C ATOM 1814 CD GLN A 117 27.842 8.151 25.533 1.00 20.86 C ATOM 1815 OE1 GLN A 117 28.573 8.312 26.507 1.00 26.80 O ATOM 1816 NE2 GLN A 117 26.979 7.162 25.453 1.00 22.55 N ATOM 1817 H GLN A 117 24.447 10.070 22.513 1.00 0.00 H ATOM 1818 HA GLN A 117 26.748 11.428 23.299 1.00 0.00 H ATOM 1819 HB3 GLN A 117 26.190 8.448 23.238 1.00 0.00 H ATOM 1820 HB2 GLN A 117 25.802 9.539 24.527 1.00 0.00 H ATOM 1821 HG3 GLN A 117 28.326 10.050 24.686 1.00 0.00 H ATOM 1822 HG2 GLN A 117 28.572 8.707 23.606 1.00 0.00 H ATOM 1823 HE22 GLN A 117 26.902 6.496 26.209 1.00 0.00 H ATOM 1824 HE21 GLN A 117 26.393 7.068 24.636 1.00 0.00 H ATOM 1825 N ASN A 118 28.684 11.057 21.831 1.00 18.36 N ATOM 1826 CA ASN A 118 29.826 10.952 20.923 1.00 21.30 C ATOM 1827 C ASN A 118 29.513 11.261 19.471 1.00 21.79 C ATOM 1828 O ASN A 118 30.213 10.803 18.562 1.00 24.37 O ATOM 1829 CB ASN A 118 30.480 9.573 21.040 1.00 25.26 C ATOM 1830 CG ASN A 118 30.921 9.258 22.456 1.00 28.23 C ATOM 1831 OD1 ASN A 118 31.171 10.163 23.254 1.00 31.15 O ATOM 1832 ND2 ASN A 118 30.985 7.973 22.789 1.00 31.03 N ATOM 1833 H ASN A 118 28.749 11.729 22.583 1.00 0.00 H ATOM 1834 HA ASN A 118 30.564 11.684 21.253 1.00 0.00 H ATOM 1835 HB3 ASN A 118 31.340 9.522 20.373 1.00 0.00 H ATOM 1836 HB2 ASN A 118 29.780 8.810 20.700 1.00 0.00 H ATOM 1837 HD22 ASN A 118 31.273 7.706 23.720 1.00 0.00 H ATOM 1838 HD21 ASN A 118 30.746 7.263 22.111 1.00 0.00 H ATOM 1839 N ARG A 119 28.480 12.062 19.249 1.00 19.74 N ATOM 1840 CA ARG A 119 28.107 12.450 17.906 1.00 20.22 C ATOM 1841 C ARG A 119 28.129 13.969 17.814 1.00 21.20 C ATOM 1842 O ARG A 119 28.244 14.666 18.822 1.00 20.45 O ATOM 1843 CB ARG A 119 26.707 11.946 17.557 1.00 19.33 C ATOM 1844 CG ARG A 119 26.536 10.455 17.648 1.00 18.80 C ATOM 1845 CD ARG A 119 25.237 10.096 16.996 1.00 22.11 C ATOM 1846 NE ARG A 119 24.865 8.692 17.142 1.00 23.33 N ATOM 1847 CZ ARG A 119 24.524 7.908 16.124 1.00 23.17 C ATOM 1848 NH1 ARG A 119 24.581 8.370 14.887 1.00 23.82 N ATOM 1849 NH2 ARG A 119 24.180 6.650 16.340 1.00 24.83 N1+ ATOM 1850 H ARG A 119 27.937 12.413 20.025 1.00 0.00 H ATOM 1851 HA ARG A 119 28.826 12.036 17.199 1.00 0.00 H ATOM 1852 HB3 ARG A 119 26.444 12.279 16.553 1.00 0.00 H ATOM 1853 HB2 ARG A 119 25.977 12.433 18.203 1.00 0.00 H ATOM 1854 HG3 ARG A 119 26.511 10.156 18.696 1.00 0.00 H ATOM 1855 HG2 ARG A 119 27.354 9.963 17.122 1.00 0.00 H ATOM 1856 HD3 ARG A 119 25.282 10.350 15.937 1.00 0.00 H ATOM 1857 HD2 ARG A 119 24.444 10.724 17.401 1.00 0.00 H ATOM 1858 HE ARG A 119 24.876 8.323 18.082 1.00 0.00 H ATOM 1859 HH12 ARG A 119 24.322 7.775 14.113 1.00 0.00 H ATOM 1860 HH11 ARG A 119 24.884 9.318 14.716 1.00 0.00 H ATOM 1861 HH22 ARG A 119 23.921 6.057 15.564 1.00 0.00 H ATOM 1862 HH21 ARG A 119 24.176 6.282 17.281 1.00 0.00 H ATOM 1863 N ASP A 120 28.037 14.471 16.593 1.00 23.19 N ATOM 1864 CA ASP A 120 28.014 15.904 16.341 1.00 24.11 C ATOM 1865 C ASP A 120 26.561 16.325 16.537 1.00 23.39 C ATOM 1866 O ASP A 120 25.704 16.007 15.708 1.00 23.93 O ATOM 1867 CB ASP A 120 28.458 16.171 14.896 1.00 25.95 C ATOM 1868 CG ASP A 120 28.679 17.643 14.607 1.00 28.26 C ATOM 1869 OD1 ASP A 120 28.548 18.474 15.534 1.00 29.21 O ATOM 1870 OD2 ASP A 120 28.981 17.963 13.436 1.00 30.36 O1- ATOM 1871 H ASP A 120 27.980 13.853 15.796 1.00 0.00 H ATOM 1872 HA ASP A 120 28.663 16.427 17.044 1.00 0.00 H ATOM 1873 HB3 ASP A 120 27.710 15.775 14.209 1.00 0.00 H ATOM 1874 HB2 ASP A 120 29.376 15.620 14.692 1.00 0.00 H ATOM 1875 N VAL A 121 26.275 17.019 17.634 1.00 22.04 N ATOM 1876 CA VAL A 121 24.906 17.440 17.914 1.00 21.67 C ATOM 1877 C VAL A 121 24.632 18.918 17.657 1.00 22.27 C ATOM 1878 O VAL A 121 23.523 19.385 17.895 1.00 19.59 O ATOM 1879 CB VAL A 121 24.473 17.068 19.374 1.00 21.39 C ATOM 1880 CG1 VAL A 121 24.464 15.554 19.552 1.00 18.65 C ATOM 1881 CG2 VAL A 121 25.399 17.709 20.405 1.00 20.88 C ATOM 1882 H VAL A 121 27.009 17.260 18.284 1.00 0.00 H ATOM 1883 HA VAL A 121 24.259 16.878 17.240 1.00 0.00 H ATOM 1884 HB VAL A 121 23.462 17.441 19.539 1.00 0.00 H ATOM 1885 HG11 VAL A 121 24.162 15.309 20.570 1.00 0.00 H ATOM 1886 HG12 VAL A 121 23.761 15.109 18.848 1.00 0.00 H ATOM 1887 HG13 VAL A 121 25.463 15.160 19.365 1.00 0.00 H ATOM 1888 HG21 VAL A 121 25.073 17.433 21.408 1.00 0.00 H ATOM 1889 HG22 VAL A 121 26.419 17.359 20.245 1.00 0.00 H ATOM 1890 HG23 VAL A 121 25.367 18.793 20.299 1.00 0.00 H ATOM 1891 N ARG A 122 25.604 19.631 17.086 1.00 23.96 N ATOM 1892 CA ARG A 122 25.450 21.070 16.818 1.00 25.30 C ATOM 1893 C ARG A 122 24.252 21.391 15.946 1.00 24.05 C ATOM 1894 O ARG A 122 23.584 22.411 16.132 1.00 23.24 O ATOM 1895 CB ARG A 122 26.706 21.641 16.167 1.00 28.86 C ATOM 1896 CG ARG A 122 27.897 21.669 17.097 1.00 35.77 C ATOM 1897 CD ARG A 122 29.178 22.105 16.379 1.00 43.07 C ATOM 1898 NE ARG A 122 29.570 21.201 15.291 1.00 47.99 N ATOM 1899 CZ ARG A 122 30.774 21.192 14.717 1.00 50.26 C ATOM 1900 NH1 ARG A 122 31.719 22.030 15.131 1.00 52.73 N ATOM 1901 NH2 ARG A 122 31.041 20.339 13.734 1.00 50.90 N1+ ATOM 1902 H ARG A 122 26.472 19.185 16.826 1.00 0.00 H ATOM 1903 HA ARG A 122 25.311 21.574 17.774 1.00 0.00 H ATOM 1904 HB3 ARG A 122 26.502 22.650 15.810 1.00 0.00 H ATOM 1905 HB2 ARG A 122 26.952 21.056 15.281 1.00 0.00 H ATOM 1906 HG3 ARG A 122 28.043 20.679 17.529 1.00 0.00 H ATOM 1907 HG2 ARG A 122 27.695 22.350 17.924 1.00 0.00 H ATOM 1908 HD3 ARG A 122 29.991 22.176 17.101 1.00 0.00 H ATOM 1909 HD2 ARG A 122 29.046 23.112 15.983 1.00 0.00 H ATOM 1910 HE ARG A 122 28.858 20.556 14.980 1.00 0.00 H ATOM 1911 HH12 ARG A 122 32.629 22.020 14.694 1.00 0.00 H ATOM 1912 HH11 ARG A 122 31.527 22.677 15.883 1.00 0.00 H ATOM 1913 HH22 ARG A 122 31.954 20.336 13.302 1.00 0.00 H ATOM 1914 HH21 ARG A 122 30.331 19.694 13.418 1.00 0.00 H ATOM 1915 N GLN A 123 23.970 20.492 15.015 1.00 23.32 N ATOM 1916 CA GLN A 123 22.865 20.645 14.077 1.00 24.43 C ATOM 1917 C GLN A 123 21.513 20.945 14.725 1.00 23.20 C ATOM 1918 O GLN A 123 20.671 21.613 14.126 1.00 24.45 O ATOM 1919 CB GLN A 123 22.737 19.386 13.219 1.00 27.58 C ATOM 1920 CG GLN A 123 22.357 18.151 14.020 1.00 32.13 C ATOM 1921 CD GLN A 123 22.251 16.904 13.177 1.00 34.28 C ATOM 1922 OE1 GLN A 123 21.422 16.814 12.271 1.00 36.06 O ATOM 1923 NE2 GLN A 123 23.094 15.921 13.479 1.00 36.86 N ATOM 1924 H GLN A 123 24.532 19.657 14.933 1.00 0.00 H ATOM 1925 HA GLN A 123 23.106 21.475 13.413 1.00 0.00 H ATOM 1926 HB3 GLN A 123 23.678 19.205 12.699 1.00 0.00 H ATOM 1927 HB2 GLN A 123 21.995 19.554 12.439 1.00 0.00 H ATOM 1928 HG3 GLN A 123 21.408 18.326 14.527 1.00 0.00 H ATOM 1929 HG2 GLN A 123 23.091 17.992 14.810 1.00 0.00 H ATOM 1930 HE22 GLN A 123 23.074 15.059 12.952 1.00 0.00 H ATOM 1931 HE21 GLN A 123 23.754 16.036 14.235 1.00 0.00 H ATOM 1932 N TYR A 124 21.314 20.475 15.952 1.00 21.23 N ATOM 1933 CA TYR A 124 20.040 20.682 16.631 1.00 19.51 C ATOM 1934 C TYR A 124 19.760 22.128 17.051 1.00 18.45 C ATOM 1935 O TYR A 124 18.599 22.511 17.158 1.00 18.64 O ATOM 1936 CB TYR A 124 19.897 19.718 17.823 1.00 17.44 C ATOM 1937 CG TYR A 124 19.953 18.249 17.427 1.00 18.91 C ATOM 1938 CD1 TYR A 124 18.845 17.615 16.871 1.00 19.73 C ATOM 1939 CD2 TYR A 124 21.127 17.505 17.570 1.00 18.51 C ATOM 1940 CE1 TYR A 124 18.903 16.275 16.468 1.00 20.36 C ATOM 1941 CE2 TYR A 124 21.195 16.164 17.169 1.00 17.89 C ATOM 1942 CZ TYR A 124 20.082 15.564 16.614 1.00 18.99 C ATOM 1943 OH TYR A 124 20.145 14.259 16.174 1.00 21.03 O ATOM 1944 H TYR A 124 22.049 19.968 16.424 1.00 0.00 H ATOM 1945 HA TYR A 124 19.261 20.410 15.918 1.00 0.00 H ATOM 1946 HB3 TYR A 124 18.958 19.918 18.339 1.00 0.00 H ATOM 1947 HB2 TYR A 124 20.680 19.926 18.552 1.00 0.00 H ATOM 1948 HD1 TYR A 124 17.920 18.157 16.744 1.00 0.00 H ATOM 1949 HD2 TYR A 124 22.007 17.962 17.997 1.00 0.00 H ATOM 1950 HE1 TYR A 124 18.030 15.800 16.045 1.00 0.00 H ATOM 1951 HE2 TYR A 124 22.113 15.609 17.295 1.00 0.00 H ATOM 1952 HH TYR A 124 21.021 13.905 16.344 1.00 0.00 H ATOM 1953 N VAL A 125 20.799 22.927 17.287 1.00 17.20 N ATOM 1954 CA VAL A 125 20.593 24.326 17.694 1.00 17.84 C ATOM 1955 C VAL A 125 21.085 25.357 16.682 1.00 18.95 C ATOM 1956 O VAL A 125 21.049 26.562 16.950 1.00 18.03 O ATOM 1957 CB VAL A 125 21.283 24.660 19.033 1.00 16.05 C ATOM 1958 CG1 VAL A 125 20.722 23.811 20.161 1.00 16.49 C ATOM 1959 CG2 VAL A 125 22.783 24.483 18.905 1.00 18.85 C ATOM 1960 H VAL A 125 21.740 22.574 17.187 1.00 0.00 H ATOM 1961 HA VAL A 125 19.522 24.478 17.827 1.00 0.00 H ATOM 1962 HB VAL A 125 21.084 25.706 19.265 1.00 0.00 H ATOM 1963 HG11 VAL A 125 21.225 24.066 21.093 1.00 0.00 H ATOM 1964 HG12 VAL A 125 19.653 24.000 20.262 1.00 0.00 H ATOM 1965 HG13 VAL A 125 20.884 22.756 19.938 1.00 0.00 H ATOM 1966 HG21 VAL A 125 23.260 24.721 19.856 1.00 0.00 H ATOM 1967 HG22 VAL A 125 23.006 23.450 18.636 1.00 0.00 H ATOM 1968 HG23 VAL A 125 23.163 25.150 18.131 1.00 0.00 H ATOM 1969 N GLN A 126 21.594 24.898 15.550 1.00 20.55 N ATOM 1970 CA GLN A 126 22.104 25.837 14.564 1.00 24.39 C ATOM 1971 C GLN A 126 21.007 26.661 13.904 1.00 22.51 C ATOM 1972 O GLN A 126 20.016 26.121 13.417 1.00 23.22 O ATOM 1973 CB GLN A 126 22.989 25.139 13.516 1.00 29.18 C ATOM 1974 CG GLN A 126 24.294 24.501 14.077 1.00 37.10 C ATOM 1975 CD GLN A 126 25.086 25.402 15.042 1.00 41.33 C ATOM 1976 OE1 GLN A 126 26.003 26.129 14.639 1.00 44.88 O ATOM 1977 NE2 GLN A 126 24.760 25.314 16.327 1.00 42.36 N ATOM 1978 H GLN A 126 21.626 23.903 15.377 1.00 0.00 H ATOM 1979 HA GLN A 126 22.744 26.538 15.099 1.00 0.00 H ATOM 1980 HB3 GLN A 126 23.244 25.849 12.729 1.00 0.00 H ATOM 1981 HB2 GLN A 126 22.406 24.375 13.003 1.00 0.00 H ATOM 1982 HG3 GLN A 126 24.937 24.207 13.248 1.00 0.00 H ATOM 1983 HG2 GLN A 126 24.051 23.563 14.576 1.00 0.00 H ATOM 1984 HE22 GLN A 126 25.243 25.879 17.010 1.00 0.00 H ATOM 1985 HE21 GLN A 126 24.029 24.682 16.620 1.00 0.00 H ATOM 1986 N GLY A 127 21.201 27.979 13.914 1.00 20.80 N ATOM 1987 CA GLY A 127 20.241 28.892 13.319 1.00 18.98 C ATOM 1988 C GLY A 127 19.144 29.350 14.267 1.00 18.67 C ATOM 1989 O GLY A 127 18.343 30.206 13.909 1.00 17.80 O ATOM 1990 H GLY A 127 22.031 28.364 14.342 1.00 0.00 H ATOM 1991 HA3 GLY A 127 19.790 28.423 12.445 1.00 0.00 H ATOM 1992 HA2 GLY A 127 20.766 29.763 12.927 1.00 0.00 H ATOM 1993 N CYS A 128 19.130 28.834 15.490 1.00 16.85 N ATOM 1994 CA CYS A 128 18.089 29.197 16.446 1.00 17.63 C ATOM 1995 C CYS A 128 18.330 30.466 17.259 1.00 18.50 C ATOM 1996 O CYS A 128 17.442 30.910 17.998 1.00 18.97 O ATOM 1997 CB CYS A 128 17.834 28.027 17.391 1.00 17.55 C ATOM 1998 SG CYS A 128 17.411 26.499 16.501 1.00 14.57 S ATOM 1999 H CYS A 128 19.847 28.180 15.770 1.00 0.00 H ATOM 2000 HA CYS A 128 17.173 29.352 15.876 1.00 0.00 H ATOM 2001 HB3 CYS A 128 17.025 28.283 18.075 1.00 0.00 H ATOM 2002 HB2 CYS A 128 18.719 27.856 18.004 1.00 0.00 H ATOM 2003 N GLY A 129 19.530 31.028 17.148 1.00 20.15 N ATOM 2004 CA GLY A 129 19.851 32.241 17.878 1.00 21.76 C ATOM 2005 C GLY A 129 20.008 32.050 19.373 1.00 23.78 C ATOM 2006 O GLY A 129 19.644 32.932 20.157 1.00 23.94 O ATOM 2007 H GLY A 129 20.230 30.611 16.551 1.00 0.00 H ATOM 2008 HA3 GLY A 129 19.083 32.990 17.688 1.00 0.00 H ATOM 2009 HA2 GLY A 129 20.764 32.676 17.472 1.00 0.00 H ATOM 2010 N VAL A 130 20.501 30.882 19.770 1.00 23.46 N ATOM 2011 CA VAL A 130 20.716 30.575 21.182 1.00 25.81 C ATOM 2012 C VAL A 130 22.203 30.331 21.455 1.00 26.37 C ATOM 2013 O VAL A 130 22.982 30.264 20.478 1.00 28.06 O ATOM 2014 CB VAL A 130 19.902 29.321 21.633 1.00 25.76 C ATOM 2015 CG1 VAL A 130 18.395 29.574 21.484 1.00 24.98 C ATOM 2016 CG2 VAL A 130 20.333 28.092 20.829 1.00 25.79 C ATOM 2017 OXT VAL A 130 22.576 30.178 22.632 1.00 29.05 O1- ATOM 2018 H VAL A 130 20.739 30.176 19.088 1.00 0.00 H ATOM 2019 HA VAL A 130 20.391 31.430 21.775 1.00 0.00 H ATOM 2020 HB VAL A 130 20.116 29.134 22.685 1.00 0.00 H ATOM 2021 HG11 VAL A 130 17.844 28.689 21.803 1.00 0.00 H ATOM 2022 HG12 VAL A 130 18.106 30.424 22.102 1.00 0.00 H ATOM 2023 HG13 VAL A 130 18.164 29.789 20.441 1.00 0.00 H ATOM 2024 HG21 VAL A 130 19.758 27.225 21.153 1.00 0.00 H ATOM 2025 HG22 VAL A 130 20.154 28.270 19.769 1.00 0.00 H ATOM 2026 HG23 VAL A 130 21.394 27.905 20.992 1.00 0.00 H CONECT 105 1998 CONECT 490 1803 CONECT 1041 1253 CONECT 1196 1442 CONECT 1253 1041 CONECT 1442 1196 CONECT 1803 490 CONECT 1998 105 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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