 |
| home | start a new run | job status | references&downloads | examples | help |
Should you encounter any unexpected behaviour,
|
*** HYDROLASE (O-GLYCOSYL) 21-AUG-96 1REX ***elNémo ID: 2411130652051940311Job options:ID = 2411130652051940311 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 1.136 19.733 22.239 1.00 10.85 N1+ ATOM 2 CA LYS A 1 1.890 20.594 21.316 1.00 10.55 C ATOM 3 C LYS A 1 3.092 19.833 20.750 1.00 10.49 C ATOM 4 O LYS A 1 3.850 19.241 21.515 1.00 10.77 O ATOM 5 CB LYS A 1 2.340 21.874 22.057 1.00 12.60 C ATOM 6 CG LYS A 1 3.220 22.839 21.242 1.00 16.02 C ATOM 7 CD LYS A 1 3.544 24.127 22.007 1.00 16.59 C ATOM 8 CE LYS A 1 4.449 25.058 21.191 1.00 18.78 C ATOM 9 NZ LYS A 1 4.810 26.263 21.952 1.00 22.56 N1+ ATOM 10 H1 LYS A 1 0.436 20.278 22.732 1.00 0.00 H ATOM 11 H2 LYS A 1 0.697 18.976 21.735 1.00 0.00 H ATOM 12 H3 LYS A 1 1.777 19.353 22.925 1.00 0.00 H ATOM 13 HA LYS A 1 1.220 20.871 20.500 1.00 0.00 H ATOM 14 HB3 LYS A 1 2.868 21.603 22.973 1.00 0.00 H ATOM 15 HB2 LYS A 1 1.449 22.416 22.371 1.00 0.00 H ATOM 16 HG3 LYS A 1 2.724 23.084 20.302 1.00 0.00 H ATOM 17 HG2 LYS A 1 4.161 22.355 20.982 1.00 0.00 H ATOM 18 HD3 LYS A 1 4.029 23.875 22.951 1.00 0.00 H ATOM 19 HD2 LYS A 1 2.619 24.644 22.263 1.00 0.00 H ATOM 20 HE3 LYS A 1 3.951 25.362 20.270 1.00 0.00 H ATOM 21 HE2 LYS A 1 5.366 24.545 20.900 1.00 0.00 H ATOM 22 HZ1 LYS A 1 5.350 26.006 22.765 1.00 0.00 H ATOM 23 HZ2 LYS A 1 5.367 26.859 21.345 1.00 0.00 H ATOM 24 HZ3 LYS A 1 3.976 26.758 22.230 1.00 0.00 H ATOM 25 N VAL A 2 3.304 19.929 19.427 1.00 10.57 N ATOM 26 CA VAL A 2 4.587 19.661 18.778 1.00 11.60 C ATOM 27 C VAL A 2 5.247 21.035 18.599 1.00 12.41 C ATOM 28 O VAL A 2 4.692 21.906 17.927 1.00 11.94 O ATOM 29 CB VAL A 2 4.368 18.982 17.396 1.00 13.00 C ATOM 30 CG1 VAL A 2 5.678 18.815 16.595 1.00 12.39 C ATOM 31 CG2 VAL A 2 3.708 17.602 17.544 1.00 13.38 C ATOM 32 H VAL A 2 2.630 20.439 18.875 1.00 0.00 H ATOM 33 HA VAL A 2 5.226 19.026 19.390 1.00 0.00 H ATOM 34 HB VAL A 2 3.696 19.604 16.802 1.00 0.00 H ATOM 35 HG11 VAL A 2 5.502 18.275 15.664 1.00 0.00 H ATOM 36 HG12 VAL A 2 6.121 19.773 16.322 1.00 0.00 H ATOM 37 HG13 VAL A 2 6.421 18.256 17.165 1.00 0.00 H ATOM 38 HG21 VAL A 2 3.482 17.166 16.571 1.00 0.00 H ATOM 39 HG22 VAL A 2 4.369 16.913 18.068 1.00 0.00 H ATOM 40 HG23 VAL A 2 2.777 17.651 18.102 1.00 0.00 H ATOM 41 N PHE A 3 6.430 21.216 19.202 1.00 11.56 N ATOM 42 CA PHE A 3 7.250 22.414 19.050 1.00 11.69 C ATOM 43 C PHE A 3 8.059 22.323 17.748 1.00 11.91 C ATOM 44 O PHE A 3 8.453 21.236 17.320 1.00 12.01 O ATOM 45 CB PHE A 3 8.281 22.492 20.196 1.00 11.71 C ATOM 46 CG PHE A 3 7.792 23.015 21.533 1.00 11.49 C ATOM 47 CD1 PHE A 3 7.002 22.207 22.377 1.00 12.47 C ATOM 48 CD2 PHE A 3 8.179 24.302 21.961 1.00 11.68 C ATOM 49 CE1 PHE A 3 6.604 22.689 23.638 1.00 15.19 C ATOM 50 CE2 PHE A 3 7.785 24.781 23.224 1.00 12.64 C ATOM 51 CZ PHE A 3 6.996 23.973 24.064 1.00 12.84 C ATOM 52 H PHE A 3 6.820 20.451 19.737 1.00 0.00 H ATOM 53 HA PHE A 3 6.628 23.310 19.040 1.00 0.00 H ATOM 54 HB3 PHE A 3 9.088 23.158 19.892 1.00 0.00 H ATOM 55 HB2 PHE A 3 8.750 21.524 20.366 1.00 0.00 H ATOM 56 HD1 PHE A 3 6.707 21.215 22.064 1.00 0.00 H ATOM 57 HD2 PHE A 3 8.794 24.924 21.326 1.00 0.00 H ATOM 58 HE1 PHE A 3 5.996 22.077 24.284 1.00 0.00 H ATOM 59 HE2 PHE A 3 8.091 25.764 23.548 1.00 0.00 H ATOM 60 HZ PHE A 3 6.691 24.334 25.036 1.00 0.00 H ATOM 61 N GLU A 4 8.381 23.493 17.178 1.00 12.69 N ATOM 62 CA GLU A 4 9.417 23.651 16.159 1.00 14.04 C ATOM 63 C GLU A 4 10.796 23.596 16.846 1.00 11.79 C ATOM 64 O GLU A 4 10.917 23.919 18.029 1.00 10.31 O ATOM 65 CB GLU A 4 9.246 25.023 15.478 1.00 20.10 C ATOM 66 CG GLU A 4 7.924 25.150 14.698 1.00 29.44 C ATOM 67 CD GLU A 4 7.802 26.509 14.011 1.00 35.69 C ATOM 68 OE1 GLU A 4 7.620 27.504 14.746 1.00 38.18 O ATOM 69 OE2 GLU A 4 7.906 26.530 12.765 1.00 38.64 O1- ATOM 70 H GLU A 4 8.004 24.341 17.586 1.00 0.00 H ATOM 71 HA GLU A 4 9.343 22.855 15.416 1.00 0.00 H ATOM 72 HB3 GLU A 4 10.075 25.191 14.789 1.00 0.00 H ATOM 73 HB2 GLU A 4 9.307 25.819 16.221 1.00 0.00 H ATOM 74 HG3 GLU A 4 7.070 25.030 15.366 1.00 0.00 H ATOM 75 HG2 GLU A 4 7.851 24.359 13.951 1.00 0.00 H ATOM 76 N ARG A 5 11.831 23.172 16.101 1.00 9.83 N ATOM 77 CA ARG A 5 13.210 22.978 16.565 1.00 10.92 C ATOM 78 C ARG A 5 13.794 24.191 17.313 1.00 10.23 C ATOM 79 O ARG A 5 14.253 24.059 18.446 1.00 10.28 O ATOM 80 CB ARG A 5 14.081 22.544 15.365 1.00 9.54 C ATOM 81 CG ARG A 5 15.572 22.308 15.682 1.00 9.89 C ATOM 82 CD ARG A 5 16.373 21.849 14.456 1.00 11.68 C ATOM 83 NE ARG A 5 16.529 22.935 13.476 1.00 13.53 N ATOM 84 CZ ARG A 5 17.505 23.860 13.463 1.00 15.77 C ATOM 85 NH1 ARG A 5 18.465 23.883 14.396 1.00 17.01 N ATOM 86 NH2 ARG A 5 17.519 24.791 12.502 1.00 16.95 N1+ ATOM 87 H ARG A 5 11.639 22.922 15.142 1.00 0.00 H ATOM 88 HA ARG A 5 13.185 22.149 17.274 1.00 0.00 H ATOM 89 HB3 ARG A 5 14.001 23.296 14.579 1.00 0.00 H ATOM 90 HB2 ARG A 5 13.665 21.628 14.944 1.00 0.00 H ATOM 91 HG3 ARG A 5 15.660 21.556 16.466 1.00 0.00 H ATOM 92 HG2 ARG A 5 16.032 23.213 16.081 1.00 0.00 H ATOM 93 HD3 ARG A 5 15.878 21.005 13.976 1.00 0.00 H ATOM 94 HD2 ARG A 5 17.357 21.493 14.755 1.00 0.00 H ATOM 95 HE ARG A 5 15.817 22.983 12.762 1.00 0.00 H ATOM 96 HH12 ARG A 5 19.175 24.603 14.367 1.00 0.00 H ATOM 97 HH11 ARG A 5 18.472 23.200 15.139 1.00 0.00 H ATOM 98 HH22 ARG A 5 18.245 25.497 12.503 1.00 0.00 H ATOM 99 HH21 ARG A 5 16.810 24.808 11.784 1.00 0.00 H ATOM 100 N CYS A 6 13.744 25.376 16.688 1.00 9.69 N ATOM 101 CA CYS A 6 14.308 26.604 17.242 1.00 9.86 C ATOM 102 C CYS A 6 13.371 27.329 18.218 1.00 9.46 C ATOM 103 O CYS A 6 13.849 28.158 18.992 1.00 9.29 O ATOM 104 CB CYS A 6 14.650 27.549 16.082 1.00 11.51 C ATOM 105 SG CYS A 6 16.027 26.995 15.038 1.00 13.68 S ATOM 106 H CYS A 6 13.339 25.419 15.764 1.00 0.00 H ATOM 107 HA CYS A 6 15.211 26.369 17.803 1.00 0.00 H ATOM 108 HB3 CYS A 6 14.932 28.527 16.471 1.00 0.00 H ATOM 109 HB2 CYS A 6 13.778 27.714 15.447 1.00 0.00 H ATOM 110 N GLU A 7 12.070 26.989 18.238 1.00 7.95 N ATOM 111 CA GLU A 7 11.116 27.441 19.251 1.00 8.09 C ATOM 112 C GLU A 7 11.412 26.751 20.595 1.00 8.45 C ATOM 113 O GLU A 7 11.453 27.425 21.623 1.00 6.95 O ATOM 114 CB GLU A 7 9.684 27.114 18.778 1.00 10.91 C ATOM 115 CG GLU A 7 8.559 27.538 19.750 1.00 17.15 C ATOM 116 CD GLU A 7 7.187 26.951 19.412 1.00 21.73 C ATOM 117 OE1 GLU A 7 7.136 25.885 18.758 1.00 21.43 O ATOM 118 OE2 GLU A 7 6.197 27.564 19.868 1.00 22.02 O1- ATOM 119 H GLU A 7 11.749 26.286 17.587 1.00 0.00 H ATOM 120 HA GLU A 7 11.211 28.521 19.378 1.00 0.00 H ATOM 121 HB3 GLU A 7 9.619 26.042 18.595 1.00 0.00 H ATOM 122 HB2 GLU A 7 9.506 27.593 17.814 1.00 0.00 H ATOM 123 HG3 GLU A 7 8.487 28.626 19.771 1.00 0.00 H ATOM 124 HG2 GLU A 7 8.775 27.229 20.771 1.00 0.00 H ATOM 125 N LEU A 8 11.663 25.428 20.569 1.00 8.64 N ATOM 126 CA LEU A 8 12.003 24.612 21.733 1.00 7.46 C ATOM 127 C LEU A 8 13.391 24.960 22.290 1.00 6.00 C ATOM 128 O LEU A 8 13.550 24.989 23.507 1.00 6.89 O ATOM 129 CB LEU A 8 11.958 23.118 21.339 1.00 7.00 C ATOM 130 CG LEU A 8 12.172 22.113 22.496 1.00 7.92 C ATOM 131 CD1 LEU A 8 11.127 22.256 23.612 1.00 7.49 C ATOM 132 CD2 LEU A 8 12.186 20.676 21.967 1.00 8.22 C ATOM 133 H LEU A 8 11.603 24.952 19.678 1.00 0.00 H ATOM 134 HA LEU A 8 11.251 24.811 22.498 1.00 0.00 H ATOM 135 HB3 LEU A 8 12.699 22.930 20.560 1.00 0.00 H ATOM 136 HB2 LEU A 8 10.999 22.902 20.877 1.00 0.00 H ATOM 137 HG LEU A 8 13.150 22.289 22.940 1.00 0.00 H ATOM 138 HD11 LEU A 8 11.285 21.506 24.388 1.00 0.00 H ATOM 139 HD12 LEU A 8 11.184 23.228 24.100 1.00 0.00 H ATOM 140 HD13 LEU A 8 10.114 22.130 23.229 1.00 0.00 H ATOM 141 HD21 LEU A 8 12.342 19.962 22.774 1.00 0.00 H ATOM 142 HD22 LEU A 8 11.246 20.428 21.474 1.00 0.00 H ATOM 143 HD23 LEU A 8 12.989 20.535 21.245 1.00 0.00 H ATOM 144 N ALA A 9 14.373 25.262 21.421 1.00 6.81 N ATOM 145 CA ALA A 9 15.735 25.636 21.805 1.00 8.81 C ATOM 146 C ALA A 9 15.771 26.939 22.624 1.00 7.91 C ATOM 147 O ALA A 9 16.489 27.013 23.620 1.00 8.22 O ATOM 148 CB ALA A 9 16.594 25.773 20.538 1.00 8.18 C ATOM 149 H ALA A 9 14.171 25.196 20.433 1.00 0.00 H ATOM 150 HA ALA A 9 16.145 24.832 22.417 1.00 0.00 H ATOM 151 HB1 ALA A 9 17.639 25.952 20.790 1.00 0.00 H ATOM 152 HB2 ALA A 9 16.560 24.863 19.939 1.00 0.00 H ATOM 153 HB3 ALA A 9 16.258 26.599 19.910 1.00 0.00 H ATOM 154 N ARG A 10 14.952 27.937 22.246 1.00 8.95 N ATOM 155 CA ARG A 10 14.807 29.202 22.967 1.00 8.80 C ATOM 156 C ARG A 10 13.927 29.067 24.225 1.00 8.47 C ATOM 157 O ARG A 10 14.122 29.839 25.162 1.00 7.67 O ATOM 158 CB ARG A 10 14.163 30.246 22.032 1.00 9.08 C ATOM 159 CG ARG A 10 15.094 30.694 20.889 1.00 8.15 C ATOM 160 CD ARG A 10 14.495 31.809 20.020 1.00 12.64 C ATOM 161 NE ARG A 10 13.334 31.336 19.249 1.00 13.22 N ATOM 162 CZ ARG A 10 13.290 31.077 17.930 1.00 12.69 C ATOM 163 NH1 ARG A 10 14.377 31.184 17.152 1.00 11.89 N ATOM 164 NH2 ARG A 10 12.128 30.701 17.379 1.00 13.50 N1+ ATOM 165 H ARG A 10 14.385 27.802 21.421 1.00 0.00 H ATOM 166 HA ARG A 10 15.790 29.559 23.278 1.00 0.00 H ATOM 167 HB3 ARG A 10 13.886 31.130 22.608 1.00 0.00 H ATOM 168 HB2 ARG A 10 13.233 29.849 21.619 1.00 0.00 H ATOM 169 HG3 ARG A 10 15.372 29.846 20.262 1.00 0.00 H ATOM 170 HG2 ARG A 10 16.028 31.061 21.316 1.00 0.00 H ATOM 171 HD3 ARG A 10 15.256 32.215 19.355 1.00 0.00 H ATOM 172 HD2 ARG A 10 14.175 32.639 20.649 1.00 0.00 H ATOM 173 HE ARG A 10 12.487 31.206 19.782 1.00 0.00 H ATOM 174 HH12 ARG A 10 14.320 31.018 16.158 1.00 0.00 H ATOM 175 HH11 ARG A 10 15.271 31.425 17.562 1.00 0.00 H ATOM 176 HH22 ARG A 10 12.067 30.510 16.389 1.00 0.00 H ATOM 177 HH21 ARG A 10 11.297 30.616 17.945 1.00 0.00 H ATOM 178 N THR A 11 12.995 28.095 24.279 1.00 8.72 N ATOM 179 CA THR A 11 12.143 27.836 25.448 1.00 9.26 C ATOM 180 C THR A 11 12.960 27.148 26.558 1.00 7.90 C ATOM 181 O THR A 11 12.842 27.538 27.717 1.00 8.59 O ATOM 182 CB THR A 11 10.935 26.948 25.043 1.00 8.15 C ATOM 183 OG1 THR A 11 10.126 27.658 24.126 1.00 9.46 O ATOM 184 CG2 THR A 11 9.999 26.576 26.210 1.00 9.53 C ATOM 185 H THR A 11 12.890 27.485 23.480 1.00 0.00 H ATOM 186 HA THR A 11 11.777 28.783 25.846 1.00 0.00 H ATOM 187 HB THR A 11 11.278 26.032 24.562 1.00 0.00 H ATOM 188 HG1 THR A 11 10.599 27.735 23.308 1.00 0.00 H ATOM 189 HG21 THR A 11 9.142 26.002 25.857 1.00 0.00 H ATOM 190 HG22 THR A 11 10.501 25.964 26.958 1.00 0.00 H ATOM 191 HG23 THR A 11 9.620 27.466 26.714 1.00 0.00 H ATOM 192 N LEU A 12 13.813 26.173 26.202 1.00 7.13 N ATOM 193 CA LEU A 12 14.708 25.466 27.117 1.00 7.61 C ATOM 194 C LEU A 12 15.839 26.374 27.636 1.00 8.17 C ATOM 195 O LEU A 12 16.231 26.230 28.793 1.00 10.26 O ATOM 196 CB LEU A 12 15.323 24.250 26.389 1.00 7.79 C ATOM 197 CG LEU A 12 14.348 23.100 26.051 1.00 9.99 C ATOM 198 CD1 LEU A 12 15.032 22.075 25.134 1.00 8.51 C ATOM 199 CD2 LEU A 12 13.788 22.407 27.297 1.00 11.86 C ATOM 200 H LEU A 12 13.850 25.902 25.227 1.00 0.00 H ATOM 201 HA LEU A 12 14.137 25.134 27.985 1.00 0.00 H ATOM 202 HB3 LEU A 12 16.148 23.839 26.972 1.00 0.00 H ATOM 203 HB2 LEU A 12 15.764 24.607 25.460 1.00 0.00 H ATOM 204 HG LEU A 12 13.494 23.507 25.511 1.00 0.00 H ATOM 205 HD11 LEU A 12 14.348 21.273 24.853 1.00 0.00 H ATOM 206 HD12 LEU A 12 15.382 22.547 24.217 1.00 0.00 H ATOM 207 HD13 LEU A 12 15.895 21.619 25.620 1.00 0.00 H ATOM 208 HD21 LEU A 12 13.088 21.619 27.019 1.00 0.00 H ATOM 209 HD22 LEU A 12 14.584 21.955 27.889 1.00 0.00 H ATOM 210 HD23 LEU A 12 13.244 23.103 27.932 1.00 0.00 H ATOM 211 N LYS A 13 16.324 27.333 26.823 1.00 7.83 N ATOM 212 CA LYS A 13 17.330 28.323 27.222 1.00 9.58 C ATOM 213 C LYS A 13 16.763 29.336 28.239 1.00 10.12 C ATOM 214 O LYS A 13 17.469 29.686 29.185 1.00 8.47 O ATOM 215 CB LYS A 13 17.862 29.056 25.969 1.00 12.50 C ATOM 216 CG LYS A 13 19.045 29.998 26.271 1.00 18.38 C ATOM 217 CD LYS A 13 19.644 30.669 25.028 1.00 24.68 C ATOM 218 CE LYS A 13 20.748 31.667 25.410 1.00 29.56 C ATOM 219 NZ LYS A 13 21.312 32.343 24.231 1.00 30.70 N1+ ATOM 220 H LYS A 13 15.969 27.387 25.878 1.00 0.00 H ATOM 221 HA LYS A 13 18.160 27.789 27.690 1.00 0.00 H ATOM 222 HB3 LYS A 13 17.058 29.614 25.487 1.00 0.00 H ATOM 223 HB2 LYS A 13 18.193 28.315 25.242 1.00 0.00 H ATOM 224 HG3 LYS A 13 19.828 29.439 26.786 1.00 0.00 H ATOM 225 HG2 LYS A 13 18.727 30.781 26.960 1.00 0.00 H ATOM 226 HD3 LYS A 13 18.857 31.182 24.474 1.00 0.00 H ATOM 227 HD2 LYS A 13 20.049 29.906 24.364 1.00 0.00 H ATOM 228 HE3 LYS A 13 21.555 31.155 25.936 1.00 0.00 H ATOM 229 HE2 LYS A 13 20.354 32.426 26.087 1.00 0.00 H ATOM 230 HZ1 LYS A 13 21.755 31.652 23.629 1.00 0.00 H ATOM 231 HZ2 LYS A 13 20.583 32.816 23.718 1.00 0.00 H ATOM 232 HZ3 LYS A 13 22.010 33.011 24.524 1.00 0.00 H ATOM 233 N ARG A 14 15.494 29.764 28.085 1.00 9.79 N ATOM 234 CA ARG A 14 14.797 30.648 29.029 1.00 10.72 C ATOM 235 C ARG A 14 14.447 29.944 30.353 1.00 9.93 C ATOM 236 O ARG A 14 14.401 30.606 31.388 1.00 9.73 O ATOM 237 CB ARG A 14 13.487 31.169 28.400 1.00 14.01 C ATOM 238 CG ARG A 14 13.699 32.309 27.392 1.00 20.87 C ATOM 239 CD ARG A 14 12.374 32.930 26.922 1.00 23.11 C ATOM 240 NE ARG A 14 11.719 32.123 25.881 1.00 27.57 N ATOM 241 CZ ARG A 14 10.667 31.301 26.044 1.00 28.99 C ATOM 242 NH1 ARG A 14 10.138 31.062 27.253 1.00 31.02 N ATOM 243 NH2 ARG A 14 10.137 30.705 24.970 1.00 30.05 N1+ ATOM 244 H ARG A 14 14.973 29.438 27.283 1.00 0.00 H ATOM 245 HA ARG A 14 15.444 31.494 29.268 1.00 0.00 H ATOM 246 HB3 ARG A 14 12.830 31.546 29.186 1.00 0.00 H ATOM 247 HB2 ARG A 14 12.945 30.348 27.927 1.00 0.00 H ATOM 248 HG3 ARG A 14 14.285 31.966 26.540 1.00 0.00 H ATOM 249 HG2 ARG A 14 14.295 33.092 27.861 1.00 0.00 H ATOM 250 HD3 ARG A 14 12.585 33.901 26.474 1.00 0.00 H ATOM 251 HD2 ARG A 14 11.703 33.128 27.757 1.00 0.00 H ATOM 252 HE ARG A 14 12.107 32.221 24.953 1.00 0.00 H ATOM 253 HH12 ARG A 14 9.346 30.445 27.358 1.00 0.00 H ATOM 254 HH11 ARG A 14 10.532 31.505 28.071 1.00 0.00 H ATOM 255 HH22 ARG A 14 9.371 30.053 25.066 1.00 0.00 H ATOM 256 HH21 ARG A 14 10.518 30.875 24.051 1.00 0.00 H ATOM 257 N LEU A 15 14.237 28.617 30.329 1.00 9.76 N ATOM 258 CA LEU A 15 14.007 27.787 31.513 1.00 10.45 C ATOM 259 C LEU A 15 15.330 27.263 32.121 1.00 9.96 C ATOM 260 O LEU A 15 15.285 26.488 33.075 1.00 11.98 O ATOM 261 CB LEU A 15 13.102 26.595 31.124 1.00 10.46 C ATOM 262 CG LEU A 15 11.655 26.974 30.729 1.00 13.01 C ATOM 263 CD1 LEU A 15 10.945 25.792 30.053 1.00 12.87 C ATOM 264 CD2 LEU A 15 10.829 27.464 31.931 1.00 12.59 C ATOM 265 H LEU A 15 14.272 28.145 29.436 1.00 0.00 H ATOM 266 HA LEU A 15 13.516 28.371 32.291 1.00 0.00 H ATOM 267 HB3 LEU A 15 13.036 25.902 31.962 1.00 0.00 H ATOM 268 HB2 LEU A 15 13.574 26.043 30.309 1.00 0.00 H ATOM 269 HG LEU A 15 11.688 27.787 30.004 1.00 0.00 H ATOM 270 HD11 LEU A 15 9.952 26.076 29.702 1.00 0.00 H ATOM 271 HD12 LEU A 15 11.505 25.434 29.189 1.00 0.00 H ATOM 272 HD13 LEU A 15 10.824 24.958 30.744 1.00 0.00 H ATOM 273 HD21 LEU A 15 9.805 27.691 31.634 1.00 0.00 H ATOM 274 HD22 LEU A 15 10.783 26.708 32.716 1.00 0.00 H ATOM 275 HD23 LEU A 15 11.245 28.372 32.365 1.00 0.00 H ATOM 276 N GLY A 16 16.497 27.716 31.627 1.00 10.58 N ATOM 277 CA GLY A 16 17.807 27.536 32.253 1.00 10.19 C ATOM 278 C GLY A 16 18.438 26.147 32.096 1.00 9.16 C ATOM 279 O GLY A 16 19.189 25.731 32.978 1.00 10.25 O ATOM 280 H GLY A 16 16.459 28.344 30.835 1.00 0.00 H ATOM 281 HA3 GLY A 16 17.739 27.783 33.314 1.00 0.00 H ATOM 282 HA2 GLY A 16 18.489 28.264 31.815 1.00 0.00 H ATOM 283 N MET A 17 18.128 25.425 31.007 1.00 9.27 N ATOM 284 CA MET A 17 18.650 24.083 30.732 1.00 9.69 C ATOM 285 C MET A 17 20.027 24.104 30.050 1.00 11.47 C ATOM 286 O MET A 17 20.752 23.116 30.161 1.00 11.21 O ATOM 287 CB MET A 17 17.672 23.348 29.792 1.00 10.02 C ATOM 288 CG MET A 17 16.411 22.879 30.525 1.00 12.49 C ATOM 289 SD MET A 17 16.692 21.410 31.552 1.00 15.03 S ATOM 290 CE MET A 17 15.819 20.170 30.565 1.00 15.76 C ATOM 291 H MET A 17 17.485 25.822 30.333 1.00 0.00 H ATOM 292 HA MET A 17 18.744 23.521 31.662 1.00 0.00 H ATOM 293 HB3 MET A 17 18.142 22.472 29.342 1.00 0.00 H ATOM 294 HB2 MET A 17 17.406 23.991 28.956 1.00 0.00 H ATOM 295 HG3 MET A 17 15.625 22.659 29.805 1.00 0.00 H ATOM 296 HG2 MET A 17 16.020 23.679 31.155 1.00 0.00 H ATOM 297 HE1 MET A 17 15.933 19.187 31.020 1.00 0.00 H ATOM 298 HE2 MET A 17 14.757 20.401 30.514 1.00 0.00 H ATOM 299 HE3 MET A 17 16.218 20.135 29.552 1.00 0.00 H ATOM 300 N ASP A 18 20.407 25.202 29.371 1.00 11.61 N ATOM 301 CA ASP A 18 21.687 25.337 28.672 1.00 12.00 C ATOM 302 C ASP A 18 22.851 25.375 29.680 1.00 12.21 C ATOM 303 O ASP A 18 22.975 26.320 30.460 1.00 12.38 O ATOM 304 CB ASP A 18 21.654 26.610 27.790 1.00 13.37 C ATOM 305 CG ASP A 18 22.894 26.804 26.902 1.00 17.47 C ATOM 306 OD1 ASP A 18 23.534 25.784 26.555 1.00 17.54 O ATOM 307 OD2 ASP A 18 23.159 27.977 26.561 1.00 19.76 O1- ATOM 308 H ASP A 18 19.776 25.989 29.341 1.00 0.00 H ATOM 309 HA ASP A 18 21.798 24.465 28.025 1.00 0.00 H ATOM 310 HB3 ASP A 18 21.533 27.496 28.417 1.00 0.00 H ATOM 311 HB2 ASP A 18 20.781 26.586 27.138 1.00 0.00 H ATOM 312 N GLY A 19 23.674 24.316 29.667 1.00 10.03 N ATOM 313 CA GLY A 19 24.795 24.107 30.576 1.00 8.39 C ATOM 314 C GLY A 19 24.407 23.557 31.957 1.00 9.70 C ATOM 315 O GLY A 19 25.263 23.549 32.841 1.00 11.44 O ATOM 316 H GLY A 19 23.476 23.573 29.013 1.00 0.00 H ATOM 317 HA3 GLY A 19 25.351 25.038 30.701 1.00 0.00 H ATOM 318 HA2 GLY A 19 25.479 23.399 30.108 1.00 0.00 H ATOM 319 N TYR A 20 23.149 23.110 32.159 1.00 10.26 N ATOM 320 CA TYR A 20 22.639 22.604 33.437 1.00 9.56 C ATOM 321 C TYR A 20 23.312 21.269 33.794 1.00 9.33 C ATOM 322 O TYR A 20 23.041 20.237 33.180 1.00 9.34 O ATOM 323 CB TYR A 20 21.104 22.435 33.385 1.00 8.50 C ATOM 324 CG TYR A 20 20.505 22.090 34.741 1.00 10.24 C ATOM 325 CD1 TYR A 20 20.201 23.123 35.652 1.00 11.90 C ATOM 326 CD2 TYR A 20 20.325 20.744 35.129 1.00 11.27 C ATOM 327 CE1 TYR A 20 19.753 22.813 36.951 1.00 12.84 C ATOM 328 CE2 TYR A 20 19.886 20.433 36.431 1.00 10.84 C ATOM 329 CZ TYR A 20 19.607 21.468 37.344 1.00 14.60 C ATOM 330 OH TYR A 20 19.201 21.173 38.612 1.00 14.83 O ATOM 331 H TYR A 20 22.505 23.135 31.380 1.00 0.00 H ATOM 332 HA TYR A 20 22.872 23.347 34.204 1.00 0.00 H ATOM 333 HB3 TYR A 20 20.813 21.682 32.651 1.00 0.00 H ATOM 334 HB2 TYR A 20 20.655 23.369 33.049 1.00 0.00 H ATOM 335 HD1 TYR A 20 20.337 24.156 35.365 1.00 0.00 H ATOM 336 HD2 TYR A 20 20.557 19.945 34.440 1.00 0.00 H ATOM 337 HE1 TYR A 20 19.539 23.612 37.646 1.00 0.00 H ATOM 338 HE2 TYR A 20 19.772 19.401 36.728 1.00 0.00 H ATOM 339 HH TYR A 20 19.137 21.944 39.156 1.00 0.00 H ATOM 340 N ARG A 21 24.219 21.334 34.781 1.00 10.77 N ATOM 341 CA ARG A 21 25.048 20.251 35.312 1.00 13.21 C ATOM 342 C ARG A 21 26.081 19.751 34.274 1.00 11.95 C ATOM 343 O ARG A 21 26.435 18.572 34.258 1.00 12.31 O ATOM 344 CB ARG A 21 24.193 19.130 35.950 1.00 15.87 C ATOM 345 CG ARG A 21 24.948 18.405 37.080 1.00 24.97 C ATOM 346 CD ARG A 21 24.326 17.061 37.465 1.00 29.90 C ATOM 347 NE ARG A 21 24.925 15.968 36.681 1.00 34.40 N ATOM 348 CZ ARG A 21 25.170 14.715 37.107 1.00 35.33 C ATOM 349 NH1 ARG A 21 24.906 14.332 38.364 1.00 34.36 N ATOM 350 NH2 ARG A 21 25.694 13.824 36.255 1.00 37.03 N1+ ATOM 351 H ARG A 21 24.371 22.242 35.194 1.00 0.00 H ATOM 352 HA ARG A 21 25.627 20.721 36.108 1.00 0.00 H ATOM 353 HB3 ARG A 21 23.880 18.421 35.182 1.00 0.00 H ATOM 354 HB2 ARG A 21 23.272 19.543 36.364 1.00 0.00 H ATOM 355 HG3 ARG A 21 24.980 19.055 37.955 1.00 0.00 H ATOM 356 HG2 ARG A 21 25.992 18.247 36.804 1.00 0.00 H ATOM 357 HD3 ARG A 21 23.244 17.079 37.341 1.00 0.00 H ATOM 358 HD2 ARG A 21 24.518 16.886 38.523 1.00 0.00 H ATOM 359 HE ARG A 21 25.118 16.188 35.715 1.00 0.00 H ATOM 360 HH12 ARG A 21 25.050 13.375 38.649 1.00 0.00 H ATOM 361 HH11 ARG A 21 24.491 14.984 39.014 1.00 0.00 H ATOM 362 HH22 ARG A 21 25.875 12.874 36.552 1.00 0.00 H ATOM 363 HH21 ARG A 21 25.916 14.092 35.308 1.00 0.00 H ATOM 364 N GLY A 22 26.533 20.655 33.388 1.00 8.72 N ATOM 365 CA GLY A 22 27.473 20.398 32.300 1.00 8.07 C ATOM 366 C GLY A 22 26.828 19.931 30.987 1.00 6.41 C ATOM 367 O GLY A 22 27.551 19.740 30.011 1.00 7.79 O ATOM 368 H GLY A 22 26.175 21.598 33.458 1.00 0.00 H ATOM 369 HA3 GLY A 22 28.219 19.664 32.609 1.00 0.00 H ATOM 370 HA2 GLY A 22 28.016 21.323 32.103 1.00 0.00 H ATOM 371 N ILE A 23 25.496 19.747 30.945 1.00 7.14 N ATOM 372 CA ILE A 23 24.757 19.280 29.770 1.00 7.58 C ATOM 373 C ILE A 23 24.313 20.529 28.990 1.00 7.48 C ATOM 374 O ILE A 23 23.474 21.297 29.463 1.00 9.25 O ATOM 375 CB ILE A 23 23.509 18.463 30.220 1.00 7.88 C ATOM 376 CG1 ILE A 23 23.871 17.281 31.156 1.00 9.35 C ATOM 377 CG2 ILE A 23 22.713 17.929 29.007 1.00 8.81 C ATOM 378 CD1 ILE A 23 22.700 16.823 32.034 1.00 9.40 C ATOM 379 H ILE A 23 24.960 19.931 31.781 1.00 0.00 H ATOM 380 HA ILE A 23 25.390 18.646 29.145 1.00 0.00 H ATOM 381 HB ILE A 23 22.851 19.129 30.781 1.00 0.00 H ATOM 382 HG13 ILE A 23 24.683 17.542 31.834 1.00 0.00 H ATOM 383 HG12 ILE A 23 24.243 16.443 30.566 1.00 0.00 H ATOM 384 HG21 ILE A 23 21.819 17.398 29.327 1.00 0.00 H ATOM 385 HG22 ILE A 23 22.378 18.724 28.343 1.00 0.00 H ATOM 386 HG23 ILE A 23 23.313 17.239 28.413 1.00 0.00 H ATOM 387 HD11 ILE A 23 22.973 15.938 32.608 1.00 0.00 H ATOM 388 HD12 ILE A 23 22.416 17.602 32.742 1.00 0.00 H ATOM 389 HD13 ILE A 23 21.819 16.582 31.444 1.00 0.00 H ATOM 390 N SER A 24 24.877 20.714 27.786 1.00 7.55 N ATOM 391 CA SER A 24 24.567 21.805 26.862 1.00 8.87 C ATOM 392 C SER A 24 23.173 21.643 26.227 1.00 9.90 C ATOM 393 O SER A 24 22.627 20.539 26.170 1.00 8.44 O ATOM 394 CB SER A 24 25.665 21.845 25.773 1.00 8.67 C ATOM 395 OG SER A 24 25.596 20.759 24.865 1.00 10.92 O ATOM 396 H SER A 24 25.557 20.036 27.472 1.00 0.00 H ATOM 397 HA SER A 24 24.595 22.744 27.417 1.00 0.00 H ATOM 398 HB3 SER A 24 26.655 21.862 26.231 1.00 0.00 H ATOM 399 HB2 SER A 24 25.578 22.767 25.197 1.00 0.00 H ATOM 400 HG SER A 24 26.282 20.867 24.222 1.00 0.00 H ATOM 401 N LEU A 25 22.622 22.759 25.723 1.00 8.47 N ATOM 402 CA LEU A 25 21.335 22.857 25.025 1.00 9.46 C ATOM 403 C LEU A 25 21.219 21.941 23.791 1.00 10.18 C ATOM 404 O LEU A 25 20.126 21.471 23.488 1.00 9.61 O ATOM 405 CB LEU A 25 21.120 24.338 24.652 1.00 11.92 C ATOM 406 CG LEU A 25 19.788 24.703 23.966 1.00 13.89 C ATOM 407 CD1 LEU A 25 18.578 24.472 24.880 1.00 16.20 C ATOM 408 CD2 LEU A 25 19.834 26.157 23.485 1.00 14.13 C ATOM 409 H LEU A 25 23.131 23.627 25.835 1.00 0.00 H ATOM 410 HA LEU A 25 20.562 22.559 25.734 1.00 0.00 H ATOM 411 HB3 LEU A 25 21.948 24.660 24.017 1.00 0.00 H ATOM 412 HB2 LEU A 25 21.196 24.933 25.558 1.00 0.00 H ATOM 413 HG LEU A 25 19.654 24.087 23.079 1.00 0.00 H ATOM 414 HD11 LEU A 25 17.663 24.725 24.349 1.00 0.00 H ATOM 415 HD12 LEU A 25 18.491 23.430 25.186 1.00 0.00 H ATOM 416 HD13 LEU A 25 18.629 25.086 25.779 1.00 0.00 H ATOM 417 HD21 LEU A 25 18.938 26.413 22.922 1.00 0.00 H ATOM 418 HD22 LEU A 25 19.918 26.852 24.321 1.00 0.00 H ATOM 419 HD23 LEU A 25 20.687 26.323 22.828 1.00 0.00 H ATOM 420 N ALA A 26 22.346 21.656 23.118 1.00 9.05 N ATOM 421 CA ALA A 26 22.455 20.783 21.951 1.00 8.30 C ATOM 422 C ALA A 26 22.170 19.302 22.270 1.00 8.69 C ATOM 423 O ALA A 26 21.621 18.599 21.422 1.00 8.98 O ATOM 424 CB ALA A 26 23.884 20.922 21.411 1.00 9.44 C ATOM 425 H ALA A 26 23.202 22.073 23.453 1.00 0.00 H ATOM 426 HA ALA A 26 21.749 21.120 21.191 1.00 0.00 H ATOM 427 HB1 ALA A 26 24.030 20.321 20.518 1.00 0.00 H ATOM 428 HB2 ALA A 26 24.107 21.955 21.144 1.00 0.00 H ATOM 429 HB3 ALA A 26 24.626 20.603 22.145 1.00 0.00 H ATOM 430 N ASN A 27 22.503 18.848 23.491 1.00 7.88 N ATOM 431 CA ASN A 27 22.251 17.493 23.990 1.00 7.92 C ATOM 432 C ASN A 27 20.835 17.330 24.570 1.00 7.64 C ATOM 433 O ASN A 27 20.292 16.228 24.500 1.00 8.81 O ATOM 434 CB ASN A 27 23.272 17.163 25.103 1.00 9.46 C ATOM 435 CG ASN A 27 24.648 16.813 24.533 1.00 9.94 C ATOM 436 OD1 ASN A 27 24.818 15.744 23.951 1.00 9.33 O ATOM 437 ND2 ASN A 27 25.627 17.706 24.680 1.00 9.88 N ATOM 438 H ASN A 27 22.928 19.502 24.136 1.00 0.00 H ATOM 439 HA ASN A 27 22.354 16.775 23.173 1.00 0.00 H ATOM 440 HB3 ASN A 27 22.945 16.301 25.685 1.00 0.00 H ATOM 441 HB2 ASN A 27 23.355 17.985 25.816 1.00 0.00 H ATOM 442 HD22 ASN A 27 26.544 17.501 24.312 1.00 0.00 H ATOM 443 HD21 ASN A 27 25.446 18.596 25.125 1.00 0.00 H ATOM 444 N TRP A 28 20.218 18.410 25.085 1.00 7.39 N ATOM 445 CA TRP A 28 18.815 18.434 25.518 1.00 6.77 C ATOM 446 C TRP A 28 17.851 18.474 24.320 1.00 6.73 C ATOM 447 O TRP A 28 16.765 17.899 24.388 1.00 6.86 O ATOM 448 CB TRP A 28 18.556 19.694 26.368 1.00 6.09 C ATOM 449 CG TRP A 28 19.130 19.691 27.751 1.00 5.54 C ATOM 450 CD1 TRP A 28 20.055 20.556 28.222 1.00 6.76 C ATOM 451 CD2 TRP A 28 18.789 18.823 28.875 1.00 5.05 C ATOM 452 NE1 TRP A 28 20.306 20.289 29.549 1.00 7.36 N ATOM 453 CE2 TRP A 28 19.532 19.252 30.018 1.00 7.05 C ATOM 454 CE3 TRP A 28 17.908 17.731 29.056 1.00 7.82 C ATOM 455 CZ2 TRP A 28 19.387 18.652 31.279 1.00 7.67 C ATOM 456 CZ3 TRP A 28 17.759 17.114 30.315 1.00 7.56 C ATOM 457 CH2 TRP A 28 18.484 17.585 31.426 1.00 10.08 C ATOM 458 H TRP A 28 20.730 19.280 25.126 1.00 0.00 H ATOM 459 HA TRP A 28 18.595 17.542 26.107 1.00 0.00 H ATOM 460 HB3 TRP A 28 17.482 19.836 26.499 1.00 0.00 H ATOM 461 HB2 TRP A 28 18.908 20.582 25.841 1.00 0.00 H ATOM 462 HD1 TRP A 28 20.506 21.349 27.647 1.00 0.00 H ATOM 463 HE1 TRP A 28 20.954 20.844 30.093 1.00 0.00 H ATOM 464 HE3 TRP A 28 17.325 17.378 28.219 1.00 0.00 H ATOM 465 HZ2 TRP A 28 19.955 19.013 32.123 1.00 0.00 H ATOM 466 HZ3 TRP A 28 17.072 16.289 30.430 1.00 0.00 H ATOM 467 HH2 TRP A 28 18.347 17.132 32.394 1.00 0.00 H ATOM 468 N MET A 29 18.265 19.124 23.219 1.00 6.27 N ATOM 469 CA MET A 29 17.531 19.205 21.960 1.00 6.20 C ATOM 470 C MET A 29 17.684 17.926 21.120 1.00 8.44 C ATOM 471 O MET A 29 16.787 17.619 20.337 1.00 7.72 O ATOM 472 CB MET A 29 18.082 20.394 21.145 1.00 6.61 C ATOM 473 CG MET A 29 17.479 21.750 21.547 1.00 7.11 C ATOM 474 SD MET A 29 15.685 21.913 21.331 1.00 9.97 S ATOM 475 CE MET A 29 15.498 21.490 19.582 1.00 8.59 C ATOM 476 H MET A 29 19.156 19.601 23.260 1.00 0.00 H ATOM 477 HA MET A 29 16.467 19.337 22.162 1.00 0.00 H ATOM 478 HB3 MET A 29 17.883 20.252 20.088 1.00 0.00 H ATOM 479 HB2 MET A 29 19.169 20.434 21.220 1.00 0.00 H ATOM 480 HG3 MET A 29 17.947 22.538 20.961 1.00 0.00 H ATOM 481 HG2 MET A 29 17.705 21.967 22.591 1.00 0.00 H ATOM 482 HE1 MET A 29 14.453 21.579 19.291 1.00 0.00 H ATOM 483 HE2 MET A 29 16.099 22.151 18.959 1.00 0.00 H ATOM 484 HE3 MET A 29 15.802 20.462 19.402 1.00 0.00 H ATOM 485 N CYS A 30 18.774 17.159 21.309 1.00 8.12 N ATOM 486 CA CYS A 30 18.951 15.833 20.721 1.00 7.72 C ATOM 487 C CYS A 30 18.110 14.793 21.484 1.00 7.32 C ATOM 488 O CYS A 30 17.518 13.918 20.855 1.00 8.08 O ATOM 489 CB CYS A 30 20.442 15.442 20.777 1.00 9.43 C ATOM 490 SG CYS A 30 20.856 13.934 19.855 1.00 9.03 S ATOM 491 H CYS A 30 19.486 17.487 21.946 1.00 0.00 H ATOM 492 HA CYS A 30 18.635 15.857 19.676 1.00 0.00 H ATOM 493 HB3 CYS A 30 20.792 15.341 21.805 1.00 0.00 H ATOM 494 HB2 CYS A 30 21.036 16.242 20.336 1.00 0.00 H ATOM 495 N LEU A 31 18.007 14.911 22.821 1.00 7.68 N ATOM 496 CA LEU A 31 17.168 14.065 23.672 1.00 8.34 C ATOM 497 C LEU A 31 15.679 14.204 23.308 1.00 9.16 C ATOM 498 O LEU A 31 15.028 13.196 23.050 1.00 11.02 O ATOM 499 CB LEU A 31 17.432 14.412 25.157 1.00 9.39 C ATOM 500 CG LEU A 31 16.576 13.644 26.193 1.00 10.03 C ATOM 501 CD1 LEU A 31 16.910 12.146 26.229 1.00 10.54 C ATOM 502 CD2 LEU A 31 16.719 14.261 27.590 1.00 11.53 C ATOM 503 H LEU A 31 18.527 15.648 23.278 1.00 0.00 H ATOM 504 HA LEU A 31 17.467 13.031 23.494 1.00 0.00 H ATOM 505 HB3 LEU A 31 17.273 15.481 25.302 1.00 0.00 H ATOM 506 HB2 LEU A 31 18.486 14.241 25.377 1.00 0.00 H ATOM 507 HG LEU A 31 15.522 13.739 25.931 1.00 0.00 H ATOM 508 HD11 LEU A 31 16.209 11.619 26.874 1.00 0.00 H ATOM 509 HD12 LEU A 31 16.838 11.685 25.245 1.00 0.00 H ATOM 510 HD13 LEU A 31 17.915 11.974 26.612 1.00 0.00 H ATOM 511 HD21 LEU A 31 16.047 13.775 28.298 1.00 0.00 H ATOM 512 HD22 LEU A 31 17.735 14.163 27.969 1.00 0.00 H ATOM 513 HD23 LEU A 31 16.468 15.320 27.581 1.00 0.00 H ATOM 514 N ALA A 32 15.159 15.442 23.236 1.00 8.85 N ATOM 515 CA ALA A 32 13.761 15.748 22.921 1.00 7.43 C ATOM 516 C ALA A 32 13.343 15.364 21.487 1.00 8.01 C ATOM 517 O ALA A 32 12.170 15.066 21.255 1.00 9.07 O ATOM 518 CB ALA A 32 13.538 17.252 23.129 1.00 8.67 C ATOM 519 H ALA A 32 15.763 16.223 23.457 1.00 0.00 H ATOM 520 HA ALA A 32 13.131 15.195 23.619 1.00 0.00 H ATOM 521 HB1 ALA A 32 12.502 17.527 22.929 1.00 0.00 H ATOM 522 HB2 ALA A 32 13.758 17.544 24.157 1.00 0.00 H ATOM 523 HB3 ALA A 32 14.173 17.850 22.472 1.00 0.00 H ATOM 524 N LYS A 33 14.303 15.338 20.546 1.00 7.72 N ATOM 525 CA LYS A 33 14.129 14.946 19.147 1.00 10.16 C ATOM 526 C LYS A 33 13.911 13.430 19.000 1.00 11.48 C ATOM 527 O LYS A 33 13.055 13.019 18.218 1.00 11.21 O ATOM 528 CB LYS A 33 15.402 15.373 18.371 1.00 13.37 C ATOM 529 CG LYS A 33 15.545 14.869 16.921 1.00 19.63 C ATOM 530 CD LYS A 33 14.420 15.326 15.978 1.00 23.74 C ATOM 531 CE LYS A 33 14.560 14.742 14.565 1.00 27.53 C ATOM 532 NZ LYS A 33 14.341 13.284 14.559 1.00 30.51 N1+ ATOM 533 H LYS A 33 15.238 15.597 20.829 1.00 0.00 H ATOM 534 HA LYS A 33 13.260 15.466 18.740 1.00 0.00 H ATOM 535 HB3 LYS A 33 16.285 15.043 18.914 1.00 0.00 H ATOM 536 HB2 LYS A 33 15.464 16.459 18.363 1.00 0.00 H ATOM 537 HG3 LYS A 33 15.629 13.782 16.916 1.00 0.00 H ATOM 538 HG2 LYS A 33 16.496 15.225 16.530 1.00 0.00 H ATOM 539 HD3 LYS A 33 14.432 16.415 15.917 1.00 0.00 H ATOM 540 HD2 LYS A 33 13.444 15.059 16.382 1.00 0.00 H ATOM 541 HE3 LYS A 33 15.545 14.963 14.152 1.00 0.00 H ATOM 542 HE2 LYS A 33 13.825 15.201 13.903 1.00 0.00 H ATOM 543 HZ1 LYS A 33 13.424 13.079 14.930 1.00 0.00 H ATOM 544 HZ2 LYS A 33 14.409 12.934 13.614 1.00 0.00 H ATOM 545 HZ3 LYS A 33 15.040 12.836 15.134 1.00 0.00 H ATOM 546 N TRP A 34 14.696 12.610 19.714 1.00 10.10 N ATOM 547 CA TRP A 34 14.727 11.158 19.538 1.00 10.90 C ATOM 548 C TRP A 34 13.891 10.390 20.570 1.00 10.71 C ATOM 549 O TRP A 34 13.681 9.192 20.385 1.00 13.31 O ATOM 550 CB TRP A 34 16.195 10.697 19.569 1.00 11.06 C ATOM 551 CG TRP A 34 16.961 11.114 18.348 1.00 11.33 C ATOM 552 CD1 TRP A 34 18.017 11.958 18.320 1.00 11.54 C ATOM 553 CD2 TRP A 34 16.723 10.732 16.958 1.00 12.57 C ATOM 554 NE1 TRP A 34 18.430 12.144 17.019 1.00 13.15 N ATOM 555 CE2 TRP A 34 17.672 11.409 16.134 1.00 12.17 C ATOM 556 CE3 TRP A 34 15.799 9.882 16.305 1.00 14.55 C ATOM 557 CZ2 TRP A 34 17.699 11.257 14.736 1.00 15.28 C ATOM 558 CZ3 TRP A 34 15.818 9.718 14.905 1.00 15.93 C ATOM 559 CH2 TRP A 34 16.765 10.404 14.121 1.00 15.64 C ATOM 560 H TRP A 34 15.381 13.018 20.338 1.00 0.00 H ATOM 561 HA TRP A 34 14.310 10.888 18.566 1.00 0.00 H ATOM 562 HB3 TRP A 34 16.252 9.610 19.626 1.00 0.00 H ATOM 563 HB2 TRP A 34 16.696 11.074 20.463 1.00 0.00 H ATOM 564 HD1 TRP A 34 18.458 12.415 19.188 1.00 0.00 H ATOM 565 HE1 TRP A 34 19.190 12.766 16.771 1.00 0.00 H ATOM 566 HE3 TRP A 34 15.068 9.344 16.891 1.00 0.00 H ATOM 567 HZ2 TRP A 34 18.430 11.789 14.144 1.00 0.00 H ATOM 568 HZ3 TRP A 34 15.102 9.061 14.433 1.00 0.00 H ATOM 569 HH2 TRP A 34 16.775 10.276 13.048 1.00 0.00 H ATOM 570 N GLU A 35 13.367 11.068 21.605 1.00 8.97 N ATOM 571 CA GLU A 35 12.420 10.497 22.560 1.00 8.64 C ATOM 572 C GLU A 35 10.969 10.745 22.106 1.00 9.83 C ATOM 573 O GLU A 35 10.133 9.865 22.302 1.00 8.93 O ATOM 574 CB GLU A 35 12.625 11.181 23.934 1.00 9.66 C ATOM 575 CG GLU A 35 13.908 10.746 24.681 1.00 10.47 C ATOM 576 CD GLU A 35 13.922 9.310 25.220 1.00 14.63 C ATOM 577 OE1 GLU A 35 12.942 8.568 24.991 1.00 13.83 O ATOM 578 OE2 GLU A 35 14.943 8.968 25.852 1.00 15.83 O1- ATOM 579 H GLU A 35 13.622 12.038 21.724 1.00 0.00 H ATOM 580 HA GLU A 35 12.565 9.420 22.648 1.00 0.00 H ATOM 581 HB3 GLU A 35 11.774 10.985 24.583 1.00 0.00 H ATOM 582 HB2 GLU A 35 12.633 12.265 23.810 1.00 0.00 H ATOM 583 HG3 GLU A 35 14.067 11.415 25.526 1.00 0.00 H ATOM 584 HG2 GLU A 35 14.777 10.857 24.034 1.00 0.00 H ATOM 585 N SER A 36 10.657 11.905 21.496 1.00 9.13 N ATOM 586 CA SER A 36 9.279 12.327 21.209 1.00 9.04 C ATOM 587 C SER A 36 9.049 12.985 19.841 1.00 10.68 C ATOM 588 O SER A 36 7.895 13.098 19.427 1.00 12.17 O ATOM 589 CB SER A 36 8.751 13.186 22.375 1.00 9.99 C ATOM 590 OG SER A 36 9.268 14.501 22.311 1.00 10.15 O ATOM 591 H SER A 36 11.395 12.578 21.346 1.00 0.00 H ATOM 592 HA SER A 36 8.648 11.438 21.176 1.00 0.00 H ATOM 593 HB3 SER A 36 8.977 12.742 23.345 1.00 0.00 H ATOM 594 HB2 SER A 36 7.667 13.253 22.308 1.00 0.00 H ATOM 595 HG SER A 36 10.185 14.478 22.549 1.00 0.00 H ATOM 596 N GLY A 37 10.105 13.467 19.165 1.00 9.62 N ATOM 597 CA GLY A 37 9.987 14.295 17.962 1.00 10.33 C ATOM 598 C GLY A 37 9.538 15.738 18.245 1.00 10.25 C ATOM 599 O GLY A 37 9.028 16.395 17.339 1.00 11.71 O ATOM 600 H GLY A 37 11.032 13.327 19.540 1.00 0.00 H ATOM 601 HA3 GLY A 37 9.295 13.832 17.256 1.00 0.00 H ATOM 602 HA2 GLY A 37 10.954 14.336 17.463 1.00 0.00 H ATOM 603 N TYR A 38 9.692 16.201 19.500 1.00 9.31 N ATOM 604 CA TYR A 38 9.334 17.517 20.045 1.00 9.90 C ATOM 605 C TYR A 38 7.878 17.607 20.549 1.00 10.82 C ATOM 606 O TYR A 38 7.402 18.705 20.840 1.00 11.00 O ATOM 607 CB TYR A 38 9.761 18.707 19.146 1.00 9.64 C ATOM 608 CG TYR A 38 11.201 18.733 18.654 1.00 10.31 C ATOM 609 CD1 TYR A 38 12.269 18.422 19.520 1.00 10.55 C ATOM 610 CD2 TYR A 38 11.477 19.098 17.319 1.00 10.38 C ATOM 611 CE1 TYR A 38 13.597 18.488 19.062 1.00 10.53 C ATOM 612 CE2 TYR A 38 12.806 19.149 16.855 1.00 11.64 C ATOM 613 CZ TYR A 38 13.869 18.847 17.728 1.00 10.71 C ATOM 614 OH TYR A 38 15.158 18.902 17.281 1.00 11.82 O ATOM 615 H TYR A 38 10.112 15.562 20.162 1.00 0.00 H ATOM 616 HA TYR A 38 9.923 17.591 20.959 1.00 0.00 H ATOM 617 HB3 TYR A 38 9.620 19.633 19.698 1.00 0.00 H ATOM 618 HB2 TYR A 38 9.088 18.779 18.291 1.00 0.00 H ATOM 619 HD1 TYR A 38 12.081 18.144 20.546 1.00 0.00 H ATOM 620 HD2 TYR A 38 10.669 19.343 16.645 1.00 0.00 H ATOM 621 HE1 TYR A 38 14.401 18.260 19.744 1.00 0.00 H ATOM 622 HE2 TYR A 38 13.008 19.425 15.831 1.00 0.00 H ATOM 623 HH TYR A 38 15.785 18.658 17.945 1.00 0.00 H ATOM 624 N ASN A 39 7.173 16.466 20.645 1.00 9.69 N ATOM 625 CA ASN A 39 5.763 16.364 21.016 1.00 8.98 C ATOM 626 C ASN A 39 5.634 16.173 22.537 1.00 8.98 C ATOM 627 O ASN A 39 6.127 15.192 23.091 1.00 8.61 O ATOM 628 CB ASN A 39 5.180 15.129 20.285 1.00 9.32 C ATOM 629 CG ASN A 39 3.653 14.994 20.385 1.00 12.21 C ATOM 630 OD1 ASN A 39 2.923 15.985 20.446 1.00 12.09 O ATOM 631 ND2 ASN A 39 3.166 13.754 20.442 1.00 12.67 N ATOM 632 H ASN A 39 7.649 15.603 20.419 1.00 0.00 H ATOM 633 HA ASN A 39 5.233 17.258 20.697 1.00 0.00 H ATOM 634 HB3 ASN A 39 5.654 14.214 20.644 1.00 0.00 H ATOM 635 HB2 ASN A 39 5.429 15.184 19.224 1.00 0.00 H ATOM 636 HD22 ASN A 39 2.170 13.606 20.516 1.00 0.00 H ATOM 637 HD21 ASN A 39 3.793 12.964 20.403 1.00 0.00 H ATOM 638 N THR A 40 4.906 17.090 23.196 1.00 7.65 N ATOM 639 CA THR A 40 4.568 17.026 24.620 1.00 8.43 C ATOM 640 C THR A 40 3.480 15.977 24.918 1.00 9.81 C ATOM 641 O THR A 40 3.413 15.483 26.038 1.00 11.15 O ATOM 642 CB THR A 40 4.081 18.415 25.114 1.00 8.77 C ATOM 643 OG1 THR A 40 2.834 18.805 24.563 1.00 9.80 O ATOM 644 CG2 THR A 40 5.092 19.546 24.899 1.00 9.35 C ATOM 645 H THR A 40 4.536 17.873 22.672 1.00 0.00 H ATOM 646 HA THR A 40 5.462 16.751 25.180 1.00 0.00 H ATOM 647 HB THR A 40 3.921 18.327 26.189 1.00 0.00 H ATOM 648 HG1 THR A 40 2.461 19.464 25.132 1.00 0.00 H ATOM 649 HG21 THR A 40 4.746 20.465 25.372 1.00 0.00 H ATOM 650 HG22 THR A 40 6.057 19.294 25.336 1.00 0.00 H ATOM 651 HG23 THR A 40 5.251 19.754 23.841 1.00 0.00 H ATOM 652 N ARG A 41 2.646 15.621 23.927 1.00 11.82 N ATOM 653 CA ARG A 41 1.519 14.694 24.061 1.00 16.60 C ATOM 654 C ARG A 41 1.944 13.220 23.901 1.00 14.98 C ATOM 655 O ARG A 41 1.087 12.338 23.949 1.00 16.45 O ATOM 656 CB ARG A 41 0.500 15.024 22.948 1.00 20.48 C ATOM 657 CG ARG A 41 -0.070 16.450 23.044 1.00 28.68 C ATOM 658 CD ARG A 41 -0.974 16.812 21.859 1.00 35.32 C ATOM 659 NE ARG A 41 -0.185 17.189 20.674 1.00 39.08 N ATOM 660 CZ ARG A 41 -0.603 17.980 19.670 1.00 40.91 C ATOM 661 NH1 ARG A 41 -1.825 18.531 19.670 1.00 39.65 N ATOM 662 NH2 ARG A 41 0.220 18.224 18.644 1.00 42.05 N1+ ATOM 663 H ARG A 41 2.782 16.052 23.025 1.00 0.00 H ATOM 664 HA ARG A 41 1.045 14.817 25.037 1.00 0.00 H ATOM 665 HB3 ARG A 41 -0.335 14.323 22.985 1.00 0.00 H ATOM 666 HB2 ARG A 41 0.963 14.883 21.971 1.00 0.00 H ATOM 667 HG3 ARG A 41 0.738 17.176 23.110 1.00 0.00 H ATOM 668 HG2 ARG A 41 -0.632 16.550 23.973 1.00 0.00 H ATOM 669 HD3 ARG A 41 -1.589 17.663 22.151 1.00 0.00 H ATOM 670 HD2 ARG A 41 -1.657 15.997 21.613 1.00 0.00 H ATOM 671 HE ARG A 41 0.714 16.732 20.582 1.00 0.00 H ATOM 672 HH12 ARG A 41 -2.128 19.117 18.905 1.00 0.00 H ATOM 673 HH11 ARG A 41 -2.465 18.344 20.429 1.00 0.00 H ATOM 674 HH22 ARG A 41 -0.081 18.798 17.869 1.00 0.00 H ATOM 675 HH21 ARG A 41 1.134 17.794 18.611 1.00 0.00 H ATOM 676 N ALA A 42 3.248 12.950 23.713 1.00 13.60 N ATOM 677 CA ALA A 42 3.821 11.627 23.494 1.00 13.97 C ATOM 678 C ALA A 42 3.730 10.759 24.757 1.00 13.98 C ATOM 679 O ALA A 42 4.104 11.193 25.849 1.00 12.14 O ATOM 680 CB ALA A 42 5.294 11.800 23.093 1.00 12.24 C ATOM 681 H ALA A 42 3.891 13.729 23.717 1.00 0.00 H ATOM 682 HA ALA A 42 3.284 11.144 22.675 1.00 0.00 H ATOM 683 HB1 ALA A 42 5.782 10.836 22.942 1.00 0.00 H ATOM 684 HB2 ALA A 42 5.380 12.355 22.160 1.00 0.00 H ATOM 685 HB3 ALA A 42 5.857 12.343 23.853 1.00 0.00 H ATOM 686 N THR A 43 3.244 9.523 24.576 1.00 15.73 N ATOM 687 CA THR A 43 3.125 8.475 25.586 1.00 17.35 C ATOM 688 C THR A 43 3.526 7.130 24.974 1.00 17.73 C ATOM 689 O THR A 43 3.082 6.800 23.873 1.00 17.51 O ATOM 690 CB THR A 43 1.727 8.454 26.255 1.00 20.43 C ATOM 691 OG1 THR A 43 0.704 8.184 25.316 1.00 23.28 O ATOM 692 CG2 THR A 43 1.379 9.720 27.044 1.00 20.68 C ATOM 693 H THR A 43 2.953 9.264 23.644 1.00 0.00 H ATOM 694 HA THR A 43 3.851 8.696 26.364 1.00 0.00 H ATOM 695 HB THR A 43 1.715 7.626 26.967 1.00 0.00 H ATOM 696 HG1 THR A 43 0.906 7.372 24.875 1.00 0.00 H ATOM 697 HG21 THR A 43 0.437 9.605 27.580 1.00 0.00 H ATOM 698 HG22 THR A 43 2.155 9.926 27.780 1.00 0.00 H ATOM 699 HG23 THR A 43 1.285 10.590 26.394 1.00 0.00 H ATOM 700 N ASN A 44 4.326 6.346 25.712 1.00 18.70 N ATOM 701 CA ASN A 44 4.742 4.989 25.362 1.00 19.37 C ATOM 702 C ASN A 44 4.628 4.096 26.598 1.00 16.74 C ATOM 703 O ASN A 44 5.387 4.268 27.551 1.00 15.33 O ATOM 704 CB ASN A 44 6.155 4.969 24.731 1.00 22.96 C ATOM 705 CG ASN A 44 6.202 5.559 23.319 1.00 29.79 C ATOM 706 OD1 ASN A 44 5.658 4.976 22.384 1.00 32.11 O ATOM 707 ND2 ASN A 44 6.833 6.724 23.158 1.00 30.92 N ATOM 708 H ASN A 44 4.655 6.705 26.599 1.00 0.00 H ATOM 709 HA ASN A 44 4.047 4.580 24.626 1.00 0.00 H ATOM 710 HB3 ASN A 44 6.512 3.940 24.662 1.00 0.00 H ATOM 711 HB2 ASN A 44 6.865 5.487 25.378 1.00 0.00 H ATOM 712 HD22 ASN A 44 6.883 7.145 22.242 1.00 0.00 H ATOM 713 HD21 ASN A 44 7.259 7.179 23.957 1.00 0.00 H ATOM 714 N TYR A 45 3.687 3.138 26.566 1.00 16.18 N ATOM 715 CA TYR A 45 3.493 2.123 27.599 1.00 16.68 C ATOM 716 C TYR A 45 4.498 0.986 27.371 1.00 16.01 C ATOM 717 O TYR A 45 4.568 0.412 26.283 1.00 17.85 O ATOM 718 CB TYR A 45 2.059 1.553 27.487 1.00 16.04 C ATOM 719 CG TYR A 45 1.723 0.418 28.449 1.00 14.25 C ATOM 720 CD1 TYR A 45 1.863 0.598 29.840 1.00 14.01 C ATOM 721 CD2 TYR A 45 1.281 -0.829 27.959 1.00 16.03 C ATOM 722 CE1 TYR A 45 1.561 -0.444 30.734 1.00 15.12 C ATOM 723 CE2 TYR A 45 0.980 -1.877 28.852 1.00 16.37 C ATOM 724 CZ TYR A 45 1.123 -1.686 30.241 1.00 17.35 C ATOM 725 OH TYR A 45 0.848 -2.702 31.109 1.00 17.56 O ATOM 726 H TYR A 45 3.112 3.064 25.739 1.00 0.00 H ATOM 727 HA TYR A 45 3.635 2.567 28.585 1.00 0.00 H ATOM 728 HB3 TYR A 45 1.873 1.217 26.465 1.00 0.00 H ATOM 729 HB2 TYR A 45 1.343 2.356 27.668 1.00 0.00 H ATOM 730 HD1 TYR A 45 2.219 1.534 30.229 1.00 0.00 H ATOM 731 HD2 TYR A 45 1.174 -0.991 26.896 1.00 0.00 H ATOM 732 HE1 TYR A 45 1.672 -0.288 31.796 1.00 0.00 H ATOM 733 HE2 TYR A 45 0.648 -2.829 28.465 1.00 0.00 H ATOM 734 HH TYR A 45 0.561 -3.491 30.674 1.00 0.00 H ATOM 735 N ASN A 46 5.248 0.660 28.429 1.00 14.62 N ATOM 736 CA ASN A 46 6.181 -0.456 28.500 1.00 15.42 C ATOM 737 C ASN A 46 5.418 -1.608 29.169 1.00 14.90 C ATOM 738 O ASN A 46 5.209 -1.608 30.383 1.00 15.31 O ATOM 739 CB ASN A 46 7.388 -0.043 29.377 1.00 16.75 C ATOM 740 CG ASN A 46 8.165 1.139 28.789 1.00 21.88 C ATOM 741 OD1 ASN A 46 8.755 1.020 27.718 1.00 24.68 O ATOM 742 ND2 ASN A 46 8.135 2.289 29.465 1.00 20.04 N ATOM 743 H ASN A 46 5.104 1.175 29.289 1.00 0.00 H ATOM 744 HA ASN A 46 6.528 -0.755 27.509 1.00 0.00 H ATOM 745 HB3 ASN A 46 8.077 -0.881 29.489 1.00 0.00 H ATOM 746 HB2 ASN A 46 7.058 0.222 30.382 1.00 0.00 H ATOM 747 HD22 ASN A 46 8.600 3.106 29.075 1.00 0.00 H ATOM 748 HD21 ASN A 46 7.648 2.349 30.347 1.00 0.00 H ATOM 749 N ALA A 47 4.971 -2.578 28.357 1.00 16.38 N ATOM 750 CA ALA A 47 4.134 -3.704 28.778 1.00 17.23 C ATOM 751 C ALA A 47 4.904 -4.793 29.547 1.00 16.46 C ATOM 752 O ALA A 47 4.277 -5.610 30.221 1.00 16.35 O ATOM 753 CB ALA A 47 3.521 -4.337 27.519 1.00 16.84 C ATOM 754 H ALA A 47 5.166 -2.494 27.369 1.00 0.00 H ATOM 755 HA ALA A 47 3.335 -3.335 29.423 1.00 0.00 H ATOM 756 HB1 ALA A 47 2.859 -5.165 27.772 1.00 0.00 H ATOM 757 HB2 ALA A 47 2.928 -3.609 26.965 1.00 0.00 H ATOM 758 HB3 ALA A 47 4.289 -4.719 26.845 1.00 0.00 H ATOM 759 N GLY A 48 6.246 -4.791 29.472 1.00 17.77 N ATOM 760 CA GLY A 48 7.129 -5.739 30.146 1.00 15.96 C ATOM 761 C GLY A 48 7.380 -5.440 31.632 1.00 16.67 C ATOM 762 O GLY A 48 7.909 -6.306 32.327 1.00 17.03 O ATOM 763 H GLY A 48 6.684 -4.081 28.902 1.00 0.00 H ATOM 764 HA3 GLY A 48 8.090 -5.728 29.633 1.00 0.00 H ATOM 765 HA2 GLY A 48 6.736 -6.752 30.044 1.00 0.00 H ATOM 766 N ASP A 49 7.002 -4.245 32.119 1.00 13.95 N ATOM 767 CA ASP A 49 7.199 -3.803 33.504 1.00 14.45 C ATOM 768 C ASP A 49 6.007 -3.004 34.067 1.00 14.98 C ATOM 769 O ASP A 49 5.939 -2.815 35.280 1.00 15.65 O ATOM 770 CB ASP A 49 8.585 -3.125 33.667 1.00 16.81 C ATOM 771 CG ASP A 49 8.771 -1.745 33.014 1.00 20.74 C ATOM 772 OD1 ASP A 49 7.823 -1.246 32.371 1.00 19.71 O ATOM 773 OD2 ASP A 49 9.863 -1.175 33.227 1.00 26.99 O1- ATOM 774 H ASP A 49 6.604 -3.576 31.476 1.00 0.00 H ATOM 775 HA ASP A 49 7.223 -4.696 34.130 1.00 0.00 H ATOM 776 HB3 ASP A 49 9.363 -3.785 33.281 1.00 0.00 H ATOM 777 HB2 ASP A 49 8.800 -3.018 34.731 1.00 0.00 H ATOM 778 N ARG A 50 5.082 -2.542 33.207 1.00 14.82 N ATOM 779 CA ARG A 50 3.838 -1.825 33.513 1.00 16.44 C ATOM 780 C ARG A 50 4.003 -0.304 33.707 1.00 16.13 C ATOM 781 O ARG A 50 3.040 0.364 34.085 1.00 18.59 O ATOM 782 CB ARG A 50 2.960 -2.507 34.592 1.00 19.87 C ATOM 783 CG ARG A 50 2.605 -3.972 34.288 1.00 24.55 C ATOM 784 CD ARG A 50 1.749 -4.612 35.394 1.00 30.38 C ATOM 785 NE ARG A 50 2.439 -5.757 36.009 1.00 36.29 N ATOM 786 CZ ARG A 50 2.124 -7.058 35.877 1.00 37.93 C ATOM 787 NH1 ARG A 50 1.098 -7.464 35.116 1.00 37.63 N ATOM 788 NH2 ARG A 50 2.860 -7.974 36.520 1.00 35.56 N1+ ATOM 789 H ARG A 50 5.252 -2.701 32.224 1.00 0.00 H ATOM 790 HA ARG A 50 3.275 -1.904 32.584 1.00 0.00 H ATOM 791 HB3 ARG A 50 2.028 -1.951 34.705 1.00 0.00 H ATOM 792 HB2 ARG A 50 3.451 -2.452 35.562 1.00 0.00 H ATOM 793 HG3 ARG A 50 3.515 -4.553 34.134 1.00 0.00 H ATOM 794 HG2 ARG A 50 2.064 -4.020 33.342 1.00 0.00 H ATOM 795 HD3 ARG A 50 0.778 -4.905 34.998 1.00 0.00 H ATOM 796 HD2 ARG A 50 1.537 -3.892 36.186 1.00 0.00 H ATOM 797 HE ARG A 50 3.235 -5.520 36.582 1.00 0.00 H ATOM 798 HH12 ARG A 50 0.878 -8.445 35.024 1.00 0.00 H ATOM 799 HH11 ARG A 50 0.541 -6.784 34.619 1.00 0.00 H ATOM 800 HH22 ARG A 50 2.645 -8.957 36.433 1.00 0.00 H ATOM 801 HH21 ARG A 50 3.641 -7.691 37.095 1.00 0.00 H ATOM 802 N SER A 51 5.196 0.252 33.432 1.00 14.62 N ATOM 803 CA SER A 51 5.464 1.692 33.464 1.00 11.92 C ATOM 804 C SER A 51 5.063 2.356 32.135 1.00 10.70 C ATOM 805 O SER A 51 4.873 1.683 31.122 1.00 9.88 O ATOM 806 CB SER A 51 6.966 1.921 33.749 1.00 10.29 C ATOM 807 OG SER A 51 7.817 1.588 32.668 1.00 10.29 O ATOM 808 H SER A 51 5.938 -0.349 33.095 1.00 0.00 H ATOM 809 HA SER A 51 4.889 2.148 34.269 1.00 0.00 H ATOM 810 HB3 SER A 51 7.275 1.368 34.634 1.00 0.00 H ATOM 811 HB2 SER A 51 7.128 2.974 33.984 1.00 0.00 H ATOM 812 HG SER A 51 7.813 0.644 32.548 1.00 0.00 H ATOM 813 N THR A 52 4.943 3.690 32.152 1.00 9.08 N ATOM 814 CA THR A 52 4.664 4.531 30.992 1.00 7.02 C ATOM 815 C THR A 52 5.651 5.702 31.005 1.00 8.04 C ATOM 816 O THR A 52 5.866 6.330 32.041 1.00 8.91 O ATOM 817 CB THR A 52 3.181 4.980 30.993 1.00 8.60 C ATOM 818 OG1 THR A 52 2.337 3.856 30.914 1.00 9.44 O ATOM 819 CG2 THR A 52 2.800 5.892 29.811 1.00 8.34 C ATOM 820 H THR A 52 5.097 4.177 33.027 1.00 0.00 H ATOM 821 HA THR A 52 4.852 3.962 30.080 1.00 0.00 H ATOM 822 HB THR A 52 2.954 5.472 31.936 1.00 0.00 H ATOM 823 HG1 THR A 52 2.609 3.247 31.584 1.00 0.00 H ATOM 824 HG21 THR A 52 1.737 6.137 29.832 1.00 0.00 H ATOM 825 HG22 THR A 52 3.345 6.836 29.832 1.00 0.00 H ATOM 826 HG23 THR A 52 3.009 5.412 28.855 1.00 0.00 H ATOM 827 N ASP A 53 6.226 6.004 29.836 1.00 8.71 N ATOM 828 CA ASP A 53 7.072 7.167 29.585 1.00 8.97 C ATOM 829 C ASP A 53 6.183 8.302 29.059 1.00 8.89 C ATOM 830 O ASP A 53 5.392 8.088 28.142 1.00 8.46 O ATOM 831 CB ASP A 53 8.104 6.803 28.503 1.00 10.64 C ATOM 832 CG ASP A 53 9.034 5.655 28.901 1.00 13.33 C ATOM 833 OD1 ASP A 53 9.612 5.738 30.005 1.00 13.99 O ATOM 834 OD2 ASP A 53 9.139 4.699 28.101 1.00 16.97 O1- ATOM 835 H ASP A 53 6.007 5.426 29.034 1.00 0.00 H ATOM 836 HA ASP A 53 7.586 7.483 30.493 1.00 0.00 H ATOM 837 HB3 ASP A 53 8.717 7.672 28.289 1.00 0.00 H ATOM 838 HB2 ASP A 53 7.600 6.529 27.575 1.00 0.00 H ATOM 839 N TYR A 54 6.297 9.491 29.671 1.00 9.53 N ATOM 840 CA TYR A 54 5.422 10.645 29.461 1.00 9.20 C ATOM 841 C TYR A 54 6.216 11.889 29.044 1.00 8.29 C ATOM 842 O TYR A 54 7.290 12.160 29.581 1.00 8.26 O ATOM 843 CB TYR A 54 4.683 10.953 30.777 1.00 7.63 C ATOM 844 CG TYR A 54 3.613 9.961 31.185 1.00 9.57 C ATOM 845 CD1 TYR A 54 3.916 8.919 32.084 1.00 9.38 C ATOM 846 CD2 TYR A 54 2.293 10.115 30.717 1.00 8.96 C ATOM 847 CE1 TYR A 54 2.893 8.060 32.530 1.00 8.65 C ATOM 848 CE2 TYR A 54 1.276 9.239 31.145 1.00 9.97 C ATOM 849 CZ TYR A 54 1.576 8.212 32.059 1.00 10.18 C ATOM 850 OH TYR A 54 0.602 7.360 32.490 1.00 9.03 O ATOM 851 H TYR A 54 6.979 9.574 30.414 1.00 0.00 H ATOM 852 HA TYR A 54 4.685 10.438 28.682 1.00 0.00 H ATOM 853 HB3 TYR A 54 4.200 11.930 30.714 1.00 0.00 H ATOM 854 HB2 TYR A 54 5.406 11.034 31.589 1.00 0.00 H ATOM 855 HD1 TYR A 54 4.922 8.799 32.458 1.00 0.00 H ATOM 856 HD2 TYR A 54 2.057 10.918 30.040 1.00 0.00 H ATOM 857 HE1 TYR A 54 3.114 7.275 33.235 1.00 0.00 H ATOM 858 HE2 TYR A 54 0.268 9.365 30.780 1.00 0.00 H ATOM 859 HH TYR A 54 0.911 6.757 33.154 1.00 0.00 H ATOM 860 N GLY A 55 5.626 12.693 28.149 1.00 9.14 N ATOM 861 CA GLY A 55 6.075 14.039 27.820 1.00 8.92 C ATOM 862 C GLY A 55 7.113 14.117 26.701 1.00 9.37 C ATOM 863 O GLY A 55 7.404 13.133 26.021 1.00 9.16 O ATOM 864 H GLY A 55 4.760 12.386 27.726 1.00 0.00 H ATOM 865 HA3 GLY A 55 6.467 14.533 28.711 1.00 0.00 H ATOM 866 HA2 GLY A 55 5.204 14.611 27.516 1.00 0.00 H ATOM 867 N VAL A 56 7.663 15.328 26.525 1.00 7.48 N ATOM 868 CA VAL A 56 8.642 15.694 25.497 1.00 8.44 C ATOM 869 C VAL A 56 10.034 15.052 25.712 1.00 7.28 C ATOM 870 O VAL A 56 10.804 14.947 24.759 1.00 8.39 O ATOM 871 CB VAL A 56 8.712 17.217 25.433 1.00 0.00 C ATOM 872 CG1 VAL A 56 9.415 17.630 24.140 1.00 0.00 C ATOM 873 CG2 VAL A 56 7.320 17.865 25.470 1.00 0.00 C ATOM 874 H VAL A 56 7.354 16.072 27.134 1.00 0.00 H ATOM 875 HA VAL A 56 8.252 15.324 24.551 1.00 0.00 H ATOM 876 HB VAL A 56 9.259 17.593 26.298 1.00 0.00 H ATOM 877 HG11 VAL A 56 9.470 18.718 24.086 1.00 0.00 H ATOM 878 HG12 VAL A 56 10.423 17.216 24.125 1.00 0.00 H ATOM 879 HG13 VAL A 56 8.856 17.253 23.284 1.00 0.00 H ATOM 880 HG21 VAL A 56 7.423 18.949 25.423 1.00 0.00 H ATOM 881 HG22 VAL A 56 6.735 17.518 24.619 1.00 0.00 H ATOM 882 HG23 VAL A 56 6.815 17.588 26.396 1.00 0.00 H ATOM 883 N PHE A 57 10.342 14.606 26.942 1.00 7.57 N ATOM 884 CA PHE A 57 11.592 13.938 27.307 1.00 8.00 C ATOM 885 C PHE A 57 11.404 12.436 27.581 1.00 9.18 C ATOM 886 O PHE A 57 12.409 11.739 27.700 1.00 9.04 O ATOM 887 CB PHE A 57 12.156 14.611 28.577 1.00 8.21 C ATOM 888 CG PHE A 57 12.647 16.034 28.379 1.00 11.60 C ATOM 889 CD1 PHE A 57 13.688 16.302 27.464 1.00 12.10 C ATOM 890 CD2 PHE A 57 12.081 17.093 29.121 1.00 13.15 C ATOM 891 CE1 PHE A 57 14.169 17.614 27.300 1.00 13.18 C ATOM 892 CE2 PHE A 57 12.563 18.406 28.957 1.00 14.57 C ATOM 893 CZ PHE A 57 13.608 18.665 28.050 1.00 13.16 C ATOM 894 H PHE A 57 9.658 14.734 27.673 1.00 0.00 H ATOM 895 HA PHE A 57 12.327 14.015 26.505 1.00 0.00 H ATOM 896 HB3 PHE A 57 13.005 14.042 28.959 1.00 0.00 H ATOM 897 HB2 PHE A 57 11.406 14.595 29.369 1.00 0.00 H ATOM 898 HD1 PHE A 57 14.126 15.500 26.890 1.00 0.00 H ATOM 899 HD2 PHE A 57 11.284 16.903 29.825 1.00 0.00 H ATOM 900 HE1 PHE A 57 14.972 17.813 26.605 1.00 0.00 H ATOM 901 HE2 PHE A 57 12.130 19.211 29.532 1.00 0.00 H ATOM 902 HZ PHE A 57 13.987 19.667 27.932 1.00 0.00 H ATOM 903 N GLN A 58 10.157 11.934 27.693 1.00 9.12 N ATOM 904 CA GLN A 58 9.797 10.526 27.922 1.00 9.39 C ATOM 905 C GLN A 58 10.245 10.042 29.311 1.00 8.95 C ATOM 906 O GLN A 58 10.990 9.072 29.450 1.00 11.94 O ATOM 907 CB GLN A 58 10.241 9.618 26.750 1.00 6.93 C ATOM 908 CG GLN A 58 9.422 9.832 25.466 1.00 8.43 C ATOM 909 CD GLN A 58 7.979 9.338 25.575 1.00 11.37 C ATOM 910 OE1 GLN A 58 7.727 8.138 25.574 1.00 12.12 O ATOM 911 NE2 GLN A 58 7.021 10.259 25.654 1.00 9.72 N ATOM 912 H GLN A 58 9.387 12.575 27.571 1.00 0.00 H ATOM 913 HA GLN A 58 8.709 10.498 27.969 1.00 0.00 H ATOM 914 HB3 GLN A 58 10.188 8.564 27.018 1.00 0.00 H ATOM 915 HB2 GLN A 58 11.294 9.779 26.536 1.00 0.00 H ATOM 916 HG3 GLN A 58 9.897 9.250 24.679 1.00 0.00 H ATOM 917 HG2 GLN A 58 9.448 10.875 25.150 1.00 0.00 H ATOM 918 HE22 GLN A 58 6.056 9.974 25.742 1.00 0.00 H ATOM 919 HE21 GLN A 58 7.258 11.244 25.662 1.00 0.00 H ATOM 920 N ILE A 59 9.798 10.775 30.339 1.00 8.47 N ATOM 921 CA ILE A 59 10.097 10.580 31.753 1.00 9.52 C ATOM 922 C ILE A 59 9.192 9.455 32.292 1.00 9.31 C ATOM 923 O ILE A 59 7.965 9.532 32.195 1.00 8.61 O ATOM 924 CB ILE A 59 9.842 11.946 32.454 1.00 9.50 C ATOM 925 CG1 ILE A 59 10.940 12.967 32.060 1.00 10.01 C ATOM 926 CG2 ILE A 59 9.736 11.855 33.986 1.00 9.09 C ATOM 927 CD1 ILE A 59 10.593 14.433 32.356 1.00 11.00 C ATOM 928 H ILE A 59 9.171 11.536 30.117 1.00 0.00 H ATOM 929 HA ILE A 59 11.145 10.297 31.877 1.00 0.00 H ATOM 930 HB ILE A 59 8.887 12.328 32.091 1.00 0.00 H ATOM 931 HG13 ILE A 59 11.151 12.894 30.993 1.00 0.00 H ATOM 932 HG12 ILE A 59 11.874 12.708 32.559 1.00 0.00 H ATOM 933 HG21 ILE A 59 9.494 12.823 34.414 1.00 0.00 H ATOM 934 HG22 ILE A 59 8.944 11.183 34.315 1.00 0.00 H ATOM 935 HG23 ILE A 59 10.679 11.518 34.417 1.00 0.00 H ATOM 936 HD11 ILE A 59 11.387 15.093 32.005 1.00 0.00 H ATOM 937 HD12 ILE A 59 9.673 14.731 31.854 1.00 0.00 H ATOM 938 HD13 ILE A 59 10.473 14.617 33.423 1.00 0.00 H ATOM 939 N ASN A 60 9.828 8.408 32.844 1.00 9.67 N ATOM 940 CA ASN A 60 9.214 7.153 33.276 1.00 10.38 C ATOM 941 C ASN A 60 8.508 7.308 34.638 1.00 9.59 C ATOM 942 O ASN A 60 9.012 7.958 35.555 1.00 10.97 O ATOM 943 CB ASN A 60 10.344 6.105 33.390 1.00 12.86 C ATOM 944 CG ASN A 60 9.814 4.671 33.476 1.00 13.00 C ATOM 945 OD1 ASN A 60 9.634 4.141 34.568 1.00 15.40 O ATOM 946 ND2 ASN A 60 9.562 4.044 32.327 1.00 13.15 N ATOM 947 H ASN A 60 10.836 8.446 32.877 1.00 0.00 H ATOM 948 HA ASN A 60 8.499 6.840 32.514 1.00 0.00 H ATOM 949 HB3 ASN A 60 10.979 6.310 34.253 1.00 0.00 H ATOM 950 HB2 ASN A 60 10.996 6.165 32.517 1.00 0.00 H ATOM 951 HD22 ASN A 60 9.196 3.100 32.339 1.00 0.00 H ATOM 952 HD21 ASN A 60 9.695 4.532 31.444 1.00 0.00 H ATOM 953 N SER A 61 7.335 6.671 34.747 1.00 9.19 N ATOM 954 CA SER A 61 6.400 6.745 35.867 1.00 10.28 C ATOM 955 C SER A 61 6.665 5.747 37.012 1.00 12.66 C ATOM 956 O SER A 61 5.870 5.699 37.952 1.00 11.77 O ATOM 957 CB SER A 61 4.996 6.523 35.281 1.00 9.35 C ATOM 958 OG SER A 61 4.825 5.228 34.738 1.00 12.19 O ATOM 959 H SER A 61 7.003 6.166 33.935 1.00 0.00 H ATOM 960 HA SER A 61 6.446 7.750 36.285 1.00 0.00 H ATOM 961 HB3 SER A 61 4.834 7.257 34.496 1.00 0.00 H ATOM 962 HB2 SER A 61 4.223 6.696 36.031 1.00 0.00 H ATOM 963 HG SER A 61 4.655 4.621 35.447 1.00 0.00 H ATOM 964 N ARG A 62 7.771 4.982 36.977 1.00 14.40 N ATOM 965 CA ARG A 62 8.228 4.192 38.122 1.00 17.30 C ATOM 966 C ARG A 62 9.145 5.024 39.033 1.00 17.42 C ATOM 967 O ARG A 62 9.189 4.766 40.232 1.00 17.86 O ATOM 968 CB ARG A 62 9.017 2.960 37.625 1.00 20.64 C ATOM 969 CG ARG A 62 9.600 2.091 38.762 1.00 25.71 C ATOM 970 CD ARG A 62 9.924 0.663 38.327 1.00 30.91 C ATOM 971 NE ARG A 62 8.695 -0.139 38.335 1.00 33.33 N ATOM 972 CZ ARG A 62 8.070 -0.664 37.271 1.00 34.99 C ATOM 973 NH1 ARG A 62 8.566 -0.545 36.035 1.00 34.43 N ATOM 974 NH2 ARG A 62 6.918 -1.312 37.458 1.00 36.75 N1+ ATOM 975 H ARG A 62 8.370 5.027 36.164 1.00 0.00 H ATOM 976 HA ARG A 62 7.377 3.838 38.708 1.00 0.00 H ATOM 977 HB3 ARG A 62 9.832 3.263 36.969 1.00 0.00 H ATOM 978 HB2 ARG A 62 8.349 2.353 37.013 1.00 0.00 H ATOM 979 HG3 ARG A 62 8.890 2.052 39.589 1.00 0.00 H ATOM 980 HG2 ARG A 62 10.501 2.554 39.164 1.00 0.00 H ATOM 981 HD3 ARG A 62 10.609 0.215 39.048 1.00 0.00 H ATOM 982 HD2 ARG A 62 10.435 0.647 37.365 1.00 0.00 H ATOM 983 HE ARG A 62 8.253 -0.251 39.239 1.00 0.00 H ATOM 984 HH12 ARG A 62 8.086 -0.951 35.244 1.00 0.00 H ATOM 985 HH11 ARG A 62 9.442 -0.068 35.877 1.00 0.00 H ATOM 986 HH22 ARG A 62 6.450 -1.766 36.680 1.00 0.00 H ATOM 987 HH21 ARG A 62 6.511 -1.355 38.384 1.00 0.00 H ATOM 988 N TYR A 63 9.898 5.985 38.478 1.00 16.13 N ATOM 989 CA TYR A 63 11.003 6.639 39.176 1.00 17.17 C ATOM 990 C TYR A 63 10.735 8.124 39.445 1.00 14.71 C ATOM 991 O TYR A 63 11.232 8.641 40.443 1.00 16.22 O ATOM 992 CB TYR A 63 12.272 6.485 38.316 1.00 21.59 C ATOM 993 CG TYR A 63 12.662 5.042 38.043 1.00 27.31 C ATOM 994 CD1 TYR A 63 13.114 4.215 39.093 1.00 31.43 C ATOM 995 CD2 TYR A 63 12.534 4.511 36.742 1.00 30.01 C ATOM 996 CE1 TYR A 63 13.425 2.864 38.844 1.00 32.88 C ATOM 997 CE2 TYR A 63 12.845 3.161 36.493 1.00 32.90 C ATOM 998 CZ TYR A 63 13.287 2.335 37.545 1.00 34.15 C ATOM 999 OH TYR A 63 13.574 1.023 37.309 1.00 38.35 O ATOM 1000 H TYR A 63 9.802 6.159 37.488 1.00 0.00 H ATOM 1001 HA TYR A 63 11.202 6.164 40.137 1.00 0.00 H ATOM 1002 HB3 TYR A 63 13.118 6.979 38.798 1.00 0.00 H ATOM 1003 HB2 TYR A 63 12.131 6.991 37.362 1.00 0.00 H ATOM 1004 HD1 TYR A 63 13.210 4.611 40.093 1.00 0.00 H ATOM 1005 HD2 TYR A 63 12.179 5.131 35.932 1.00 0.00 H ATOM 1006 HE1 TYR A 63 13.762 2.232 39.652 1.00 0.00 H ATOM 1007 HE2 TYR A 63 12.729 2.762 35.496 1.00 0.00 H ATOM 1008 HH TYR A 63 13.479 0.780 36.401 1.00 0.00 H ATOM 1009 N TRP A 64 9.986 8.810 38.565 1.00 12.94 N ATOM 1010 CA TRP A 64 9.995 10.271 38.456 1.00 10.97 C ATOM 1011 C TRP A 64 8.622 10.902 38.698 1.00 11.14 C ATOM 1012 O TRP A 64 8.521 11.798 39.533 1.00 10.98 O ATOM 1013 CB TRP A 64 10.578 10.656 37.085 1.00 10.44 C ATOM 1014 CG TRP A 64 11.943 10.102 36.802 1.00 10.63 C ATOM 1015 CD1 TRP A 64 12.263 9.253 35.799 1.00 11.26 C ATOM 1016 CD2 TRP A 64 13.169 10.301 37.566 1.00 11.08 C ATOM 1017 NE1 TRP A 64 13.589 8.887 35.911 1.00 12.74 N ATOM 1018 CE2 TRP A 64 14.192 9.479 37.002 1.00 12.08 C ATOM 1019 CE3 TRP A 64 13.520 11.087 38.688 1.00 13.30 C ATOM 1020 CZ2 TRP A 64 15.485 9.413 37.547 1.00 12.96 C ATOM 1021 CZ3 TRP A 64 14.811 11.023 39.249 1.00 14.00 C ATOM 1022 CH2 TRP A 64 15.788 10.183 38.684 1.00 13.57 C ATOM 1023 H TRP A 64 9.575 8.303 37.794 1.00 0.00 H ATOM 1024 HA TRP A 64 10.654 10.697 39.213 1.00 0.00 H ATOM 1025 HB3 TRP A 64 10.636 11.738 36.993 1.00 0.00 H ATOM 1026 HB2 TRP A 64 9.902 10.317 36.302 1.00 0.00 H ATOM 1027 HD1 TRP A 64 11.566 8.894 35.057 1.00 0.00 H ATOM 1028 HE1 TRP A 64 14.035 8.246 35.269 1.00 0.00 H ATOM 1029 HE3 TRP A 64 12.783 11.743 39.126 1.00 0.00 H ATOM 1030 HZ2 TRP A 64 16.239 8.785 37.097 1.00 0.00 H ATOM 1031 HZ3 TRP A 64 15.053 11.623 40.114 1.00 0.00 H ATOM 1032 HH2 TRP A 64 16.778 10.152 39.108 1.00 0.00 H ATOM 1033 N CYS A 65 7.574 10.426 38.011 1.00 11.29 N ATOM 1034 CA CYS A 65 6.192 10.892 38.162 1.00 9.95 C ATOM 1035 C CYS A 65 5.301 9.743 38.655 1.00 11.17 C ATOM 1036 O CYS A 65 5.703 8.581 38.606 1.00 11.69 O ATOM 1037 CB CYS A 65 5.712 11.528 36.838 1.00 9.63 C ATOM 1038 SG CYS A 65 5.476 10.431 35.406 1.00 9.62 S ATOM 1039 H CYS A 65 7.730 9.671 37.359 1.00 0.00 H ATOM 1040 HA CYS A 65 6.144 11.675 38.917 1.00 0.00 H ATOM 1041 HB3 CYS A 65 6.427 12.297 36.545 1.00 0.00 H ATOM 1042 HB2 CYS A 65 4.776 12.058 37.012 1.00 0.00 H ATOM 1043 N ASN A 66 4.089 10.069 39.131 1.00 11.57 N ATOM 1044 CA ASN A 66 3.070 9.103 39.544 1.00 11.65 C ATOM 1045 C ASN A 66 1.871 9.206 38.591 1.00 11.28 C ATOM 1046 O ASN A 66 1.297 10.283 38.423 1.00 9.77 O ATOM 1047 CB ASN A 66 2.645 9.422 40.996 1.00 14.26 C ATOM 1048 CG ASN A 66 1.688 8.383 41.591 1.00 17.42 C ATOM 1049 OD1 ASN A 66 1.983 7.190 41.596 1.00 18.75 O ATOM 1050 ND2 ASN A 66 0.518 8.825 42.056 1.00 19.19 N ATOM 1051 H ASN A 66 3.840 11.048 39.175 1.00 0.00 H ATOM 1052 HA ASN A 66 3.465 8.085 39.508 1.00 0.00 H ATOM 1053 HB3 ASN A 66 2.214 10.423 41.064 1.00 0.00 H ATOM 1054 HB2 ASN A 66 3.527 9.426 41.632 1.00 0.00 H ATOM 1055 HD22 ASN A 66 -0.142 8.168 42.446 1.00 0.00 H ATOM 1056 HD21 ASN A 66 0.297 9.810 42.024 1.00 0.00 H ATOM 1057 N ASP A 67 1.481 8.064 38.005 1.00 10.97 N ATOM 1058 CA ASP A 67 0.252 7.883 37.227 1.00 9.64 C ATOM 1059 C ASP A 67 -0.765 7.015 38.002 1.00 10.36 C ATOM 1060 O ASP A 67 -1.883 6.827 37.526 1.00 11.33 O ATOM 1061 CB ASP A 67 0.587 7.277 35.836 1.00 9.28 C ATOM 1062 CG ASP A 67 1.229 5.882 35.770 1.00 7.23 C ATOM 1063 OD1 ASP A 67 1.518 5.286 36.833 1.00 9.28 O ATOM 1064 OD2 ASP A 67 1.408 5.419 34.622 1.00 7.94 O1- ATOM 1065 H ASP A 67 2.036 7.233 38.160 1.00 0.00 H ATOM 1066 HA ASP A 67 -0.230 8.847 37.055 1.00 0.00 H ATOM 1067 HB3 ASP A 67 1.246 7.961 35.303 1.00 0.00 H ATOM 1068 HB2 ASP A 67 -0.327 7.237 35.241 1.00 0.00 H ATOM 1069 N GLY A 68 -0.391 6.506 39.191 1.00 10.39 N ATOM 1070 CA GLY A 68 -1.234 5.728 40.095 1.00 11.77 C ATOM 1071 C GLY A 68 -1.456 4.263 39.691 1.00 12.93 C ATOM 1072 O GLY A 68 -2.274 3.596 40.325 1.00 14.03 O ATOM 1073 H GLY A 68 0.546 6.708 39.511 1.00 0.00 H ATOM 1074 HA3 GLY A 68 -2.203 6.217 40.202 1.00 0.00 H ATOM 1075 HA2 GLY A 68 -0.770 5.742 41.081 1.00 0.00 H ATOM 1076 N LYS A 69 -0.758 3.767 38.654 1.00 12.61 N ATOM 1077 CA LYS A 69 -0.962 2.446 38.053 1.00 13.36 C ATOM 1078 C LYS A 69 0.333 1.660 37.789 1.00 15.23 C ATOM 1079 O LYS A 69 0.250 0.507 37.366 1.00 17.18 O ATOM 1080 CB LYS A 69 -1.889 2.550 36.820 1.00 13.71 C ATOM 1081 CG LYS A 69 -1.318 3.413 35.679 1.00 16.79 C ATOM 1082 CD LYS A 69 -2.116 3.291 34.373 1.00 19.37 C ATOM 1083 CE LYS A 69 -1.578 4.184 33.242 1.00 23.25 C ATOM 1084 NZ LYS A 69 -0.222 3.790 32.822 1.00 29.50 N1+ ATOM 1085 H LYS A 69 -0.112 4.388 38.183 1.00 0.00 H ATOM 1086 HA LYS A 69 -1.488 1.820 38.776 1.00 0.00 H ATOM 1087 HB3 LYS A 69 -2.858 2.948 37.125 1.00 0.00 H ATOM 1088 HB2 LYS A 69 -2.089 1.546 36.443 1.00 0.00 H ATOM 1089 HG3 LYS A 69 -0.282 3.132 35.488 1.00 0.00 H ATOM 1090 HG2 LYS A 69 -1.300 4.457 35.995 1.00 0.00 H ATOM 1091 HD3 LYS A 69 -3.156 3.559 34.567 1.00 0.00 H ATOM 1092 HD2 LYS A 69 -2.126 2.251 34.044 1.00 0.00 H ATOM 1093 HE3 LYS A 69 -1.567 5.231 33.549 1.00 0.00 H ATOM 1094 HE2 LYS A 69 -2.237 4.113 32.376 1.00 0.00 H ATOM 1095 HZ1 LYS A 69 -0.192 2.799 32.631 1.00 0.00 H ATOM 1096 HZ2 LYS A 69 0.042 4.302 31.993 1.00 0.00 H ATOM 1097 HZ3 LYS A 69 0.432 4.017 33.564 1.00 0.00 H ATOM 1098 N THR A 70 1.512 2.255 38.036 1.00 15.45 N ATOM 1099 CA THR A 70 2.812 1.609 37.848 1.00 15.62 C ATOM 1100 C THR A 70 3.243 0.991 39.199 1.00 17.63 C ATOM 1101 O THR A 70 3.350 1.735 40.176 1.00 19.42 O ATOM 1102 CB THR A 70 3.848 2.681 37.432 1.00 14.38 C ATOM 1103 OG1 THR A 70 3.442 3.213 36.190 1.00 12.31 O ATOM 1104 CG2 THR A 70 5.264 2.114 37.218 1.00 13.40 C ATOM 1105 H THR A 70 1.513 3.205 38.378 1.00 0.00 H ATOM 1106 HA THR A 70 2.754 0.876 37.044 1.00 0.00 H ATOM 1107 HB THR A 70 3.888 3.499 38.154 1.00 0.00 H ATOM 1108 HG1 THR A 70 2.658 3.733 36.326 1.00 0.00 H ATOM 1109 HG21 THR A 70 5.915 2.853 36.752 1.00 0.00 H ATOM 1110 HG22 THR A 70 5.732 1.819 38.158 1.00 0.00 H ATOM 1111 HG23 THR A 70 5.249 1.239 36.567 1.00 0.00 H ATOM 1112 N PRO A 71 3.510 -0.337 39.276 1.00 18.99 N ATOM 1113 CA PRO A 71 4.047 -1.012 40.472 1.00 20.03 C ATOM 1114 C PRO A 71 5.386 -0.409 40.939 1.00 21.59 C ATOM 1115 O PRO A 71 6.305 -0.258 40.134 1.00 20.93 O ATOM 1116 CB PRO A 71 4.269 -2.479 40.054 1.00 19.61 C ATOM 1117 CG PRO A 71 3.432 -2.690 38.806 1.00 20.59 C ATOM 1118 CD PRO A 71 3.222 -1.300 38.213 1.00 19.65 C ATOM 1119 HA PRO A 71 3.298 -0.956 41.265 1.00 0.00 H ATOM 1120 HB3 PRO A 71 3.993 -3.174 40.849 1.00 0.00 H ATOM 1121 HB2 PRO A 71 5.312 -2.683 39.806 1.00 0.00 H ATOM 1122 HG3 PRO A 71 2.465 -3.107 39.091 1.00 0.00 H ATOM 1123 HG2 PRO A 71 3.891 -3.382 38.099 1.00 0.00 H ATOM 1124 HD2 PRO A 71 3.922 -1.131 37.394 1.00 0.00 H ATOM 1125 HD3 PRO A 71 2.208 -1.203 37.824 1.00 0.00 H ATOM 1126 N GLY A 72 5.499 -0.083 42.235 1.00 22.62 N ATOM 1127 CA GLY A 72 6.725 0.432 42.846 1.00 24.40 C ATOM 1128 C GLY A 72 7.080 1.873 42.452 1.00 25.15 C ATOM 1129 O GLY A 72 8.265 2.184 42.330 1.00 28.05 O ATOM 1130 H GLY A 72 4.704 -0.226 42.841 1.00 0.00 H ATOM 1131 HA3 GLY A 72 7.559 -0.227 42.600 1.00 0.00 H ATOM 1132 HA2 GLY A 72 6.610 0.393 43.929 1.00 0.00 H ATOM 1133 N ALA A 73 6.069 2.734 42.229 1.00 24.00 N ATOM 1134 CA ALA A 73 6.222 4.143 41.858 1.00 22.41 C ATOM 1135 C ALA A 73 6.847 4.961 43.003 1.00 21.96 C ATOM 1136 O ALA A 73 6.269 5.065 44.085 1.00 22.71 O ATOM 1137 CB ALA A 73 4.843 4.717 41.493 1.00 21.20 C ATOM 1138 H ALA A 73 5.125 2.391 42.330 1.00 0.00 H ATOM 1139 HA ALA A 73 6.852 4.197 40.973 1.00 0.00 H ATOM 1140 HB1 ALA A 73 4.913 5.772 41.223 1.00 0.00 H ATOM 1141 HB2 ALA A 73 4.419 4.197 40.634 1.00 0.00 H ATOM 1142 HB3 ALA A 73 4.133 4.632 42.317 1.00 0.00 H ATOM 1143 N VAL A 74 8.039 5.524 42.748 1.00 20.76 N ATOM 1144 CA VAL A 74 8.851 6.292 43.693 1.00 20.12 C ATOM 1145 C VAL A 74 8.371 7.754 43.728 1.00 19.22 C ATOM 1146 O VAL A 74 8.152 8.286 44.815 1.00 20.65 O ATOM 1147 CB VAL A 74 10.342 6.228 43.244 1.00 21.65 C ATOM 1148 CG1 VAL A 74 11.287 7.099 44.098 1.00 22.25 C ATOM 1149 CG2 VAL A 74 10.871 4.780 43.221 1.00 23.97 C ATOM 1150 H VAL A 74 8.448 5.350 41.838 1.00 0.00 H ATOM 1151 HA VAL A 74 8.758 5.863 44.693 1.00 0.00 H ATOM 1152 HB VAL A 74 10.404 6.606 42.224 1.00 0.00 H ATOM 1153 HG11 VAL A 74 12.324 6.975 43.784 1.00 0.00 H ATOM 1154 HG12 VAL A 74 11.061 8.162 44.009 1.00 0.00 H ATOM 1155 HG13 VAL A 74 11.226 6.830 45.153 1.00 0.00 H ATOM 1156 HG21 VAL A 74 11.906 4.745 42.879 1.00 0.00 H ATOM 1157 HG22 VAL A 74 10.834 4.332 44.214 1.00 0.00 H ATOM 1158 HG23 VAL A 74 10.297 4.141 42.552 1.00 0.00 H ATOM 1159 N ASN A 75 8.224 8.391 42.549 1.00 16.36 N ATOM 1160 CA ASN A 75 7.732 9.759 42.344 1.00 15.20 C ATOM 1161 C ASN A 75 8.751 10.798 42.860 1.00 14.58 C ATOM 1162 O ASN A 75 8.426 11.621 43.716 1.00 13.31 O ATOM 1163 CB ASN A 75 6.288 9.917 42.900 1.00 14.75 C ATOM 1164 CG ASN A 75 5.579 11.205 42.462 1.00 14.93 C ATOM 1165 OD1 ASN A 75 5.944 11.820 41.465 1.00 16.04 O ATOM 1166 ND2 ASN A 75 4.580 11.640 43.233 1.00 15.57 N ATOM 1167 H ASN A 75 8.435 7.865 41.714 1.00 0.00 H ATOM 1168 HA ASN A 75 7.686 9.872 41.261 1.00 0.00 H ATOM 1169 HB3 ASN A 75 6.286 9.872 43.989 1.00 0.00 H ATOM 1170 HB2 ASN A 75 5.679 9.080 42.558 1.00 0.00 H ATOM 1171 HD22 ASN A 75 4.092 12.488 42.983 1.00 0.00 H ATOM 1172 HD21 ASN A 75 4.317 11.124 44.060 1.00 0.00 H ATOM 1173 N ALA A 76 9.996 10.739 42.357 1.00 15.08 N ATOM 1174 CA ALA A 76 11.122 11.549 42.827 1.00 15.28 C ATOM 1175 C ALA A 76 11.080 13.026 42.386 1.00 14.21 C ATOM 1176 O ALA A 76 11.758 13.844 43.009 1.00 16.17 O ATOM 1177 CB ALA A 76 12.420 10.919 42.303 1.00 14.90 C ATOM 1178 H ALA A 76 10.199 10.029 41.665 1.00 0.00 H ATOM 1179 HA ALA A 76 11.138 11.521 43.918 1.00 0.00 H ATOM 1180 HB1 ALA A 76 13.296 11.476 42.630 1.00 0.00 H ATOM 1181 HB2 ALA A 76 12.532 9.896 42.663 1.00 0.00 H ATOM 1182 HB3 ALA A 76 12.434 10.888 41.216 1.00 0.00 H ATOM 1183 N CYS A 77 10.275 13.386 41.369 1.00 13.74 N ATOM 1184 CA CYS A 77 10.000 14.777 40.984 1.00 13.02 C ATOM 1185 C CYS A 77 8.797 15.343 41.759 1.00 14.96 C ATOM 1186 O CYS A 77 8.679 16.562 41.870 1.00 14.88 O ATOM 1187 CB CYS A 77 9.640 14.849 39.487 1.00 10.59 C ATOM 1188 SG CYS A 77 10.962 14.305 38.378 1.00 11.17 S ATOM 1189 H CYS A 77 9.753 12.663 40.888 1.00 0.00 H ATOM 1190 HA CYS A 77 10.868 15.410 41.172 1.00 0.00 H ATOM 1191 HB3 CYS A 77 9.413 15.881 39.215 1.00 0.00 H ATOM 1192 HB2 CYS A 77 8.737 14.281 39.266 1.00 0.00 H ATOM 1193 N HIS A 78 7.914 14.470 42.278 1.00 15.97 N ATOM 1194 CA HIS A 78 6.750 14.775 43.119 1.00 17.10 C ATOM 1195 C HIS A 78 5.546 15.321 42.328 1.00 16.61 C ATOM 1196 O HIS A 78 4.658 15.953 42.900 1.00 17.17 O ATOM 1197 CB HIS A 78 7.106 15.544 44.415 1.00 19.11 C ATOM 1198 CG HIS A 78 7.988 14.765 45.364 1.00 25.67 C ATOM 1199 ND1 HIS A 78 9.334 14.535 45.136 1.00 28.43 N ATOM 1200 CD2 HIS A 78 7.700 14.115 46.544 1.00 27.93 C ATOM 1201 CE1 HIS A 78 9.783 13.777 46.140 1.00 29.63 C ATOM 1202 NE2 HIS A 78 8.847 13.489 47.036 1.00 29.72 N ATOM 1203 H HIS A 78 8.098 13.487 42.132 1.00 0.00 H ATOM 1204 HA HIS A 78 6.405 13.800 43.457 1.00 0.00 H ATOM 1205 HB3 HIS A 78 6.194 15.777 44.965 1.00 0.00 H ATOM 1206 HB2 HIS A 78 7.573 16.505 44.199 1.00 0.00 H ATOM 1207 HD1 HIS A 78 9.874 14.853 44.343 1.00 0.00 H ATOM 1208 HD2 HIS A 78 6.758 14.037 47.067 1.00 0.00 H ATOM 1209 HE1 HIS A 78 10.804 13.432 46.214 1.00 0.00 H ATOM 1210 N LEU A 79 5.524 15.073 41.009 1.00 15.87 N ATOM 1211 CA LEU A 79 4.485 15.483 40.070 1.00 15.16 C ATOM 1212 C LEU A 79 3.565 14.304 39.732 1.00 13.42 C ATOM 1213 O LEU A 79 3.971 13.142 39.762 1.00 14.04 O ATOM 1214 CB LEU A 79 5.165 15.889 38.741 1.00 15.17 C ATOM 1215 CG LEU A 79 6.019 17.171 38.800 1.00 18.76 C ATOM 1216 CD1 LEU A 79 6.863 17.284 37.526 1.00 18.96 C ATOM 1217 CD2 LEU A 79 5.165 18.436 38.985 1.00 16.94 C ATOM 1218 H LEU A 79 6.283 14.526 40.630 1.00 0.00 H ATOM 1219 HA LEU A 79 3.889 16.306 40.467 1.00 0.00 H ATOM 1220 HB3 LEU A 79 4.416 16.026 37.959 1.00 0.00 H ATOM 1221 HB2 LEU A 79 5.790 15.060 38.401 1.00 0.00 H ATOM 1222 HG LEU A 79 6.710 17.097 39.641 1.00 0.00 H ATOM 1223 HD11 LEU A 79 7.544 18.134 37.579 1.00 0.00 H ATOM 1224 HD12 LEU A 79 7.458 16.383 37.383 1.00 0.00 H ATOM 1225 HD13 LEU A 79 6.238 17.407 36.641 1.00 0.00 H ATOM 1226 HD21 LEU A 79 5.788 19.331 38.981 1.00 0.00 H ATOM 1227 HD22 LEU A 79 4.433 18.543 38.183 1.00 0.00 H ATOM 1228 HD23 LEU A 79 4.626 18.423 39.932 1.00 0.00 H ATOM 1229 N SER A 80 2.342 14.633 39.293 1.00 12.48 N ATOM 1230 CA SER A 80 1.496 13.745 38.501 1.00 10.60 C ATOM 1231 C SER A 80 2.058 13.707 37.067 1.00 10.38 C ATOM 1232 O SER A 80 2.507 14.734 36.554 1.00 10.91 O ATOM 1233 CB SER A 80 0.063 14.319 38.486 1.00 10.11 C ATOM 1234 OG SER A 80 -0.819 13.519 37.721 1.00 11.01 O ATOM 1235 H SER A 80 2.087 15.610 39.301 1.00 0.00 H ATOM 1236 HA SER A 80 1.493 12.749 38.944 1.00 0.00 H ATOM 1237 HB3 SER A 80 0.055 15.330 38.074 1.00 0.00 H ATOM 1238 HB2 SER A 80 -0.327 14.389 39.502 1.00 0.00 H ATOM 1239 HG SER A 80 -0.905 12.677 38.142 1.00 0.00 H ATOM 1240 N CYS A 81 2.012 12.538 36.407 1.00 10.07 N ATOM 1241 CA CYS A 81 2.486 12.356 35.029 1.00 9.77 C ATOM 1242 C CYS A 81 1.655 13.119 33.972 1.00 9.26 C ATOM 1243 O CYS A 81 2.100 13.257 32.834 1.00 9.12 O ATOM 1244 CB CYS A 81 2.480 10.862 34.672 1.00 9.99 C ATOM 1245 SG CYS A 81 3.564 9.752 35.615 1.00 10.37 S ATOM 1246 H CYS A 81 1.646 11.726 36.886 1.00 0.00 H ATOM 1247 HA CYS A 81 3.509 12.730 34.966 1.00 0.00 H ATOM 1248 HB3 CYS A 81 2.763 10.757 33.629 1.00 0.00 H ATOM 1249 HB2 CYS A 81 1.466 10.467 34.749 1.00 0.00 H ATOM 1250 N SER A 82 0.479 13.649 34.357 1.00 10.05 N ATOM 1251 CA SER A 82 -0.390 14.508 33.554 1.00 10.76 C ATOM 1252 C SER A 82 0.183 15.934 33.381 1.00 9.33 C ATOM 1253 O SER A 82 -0.172 16.610 32.416 1.00 11.34 O ATOM 1254 CB SER A 82 -1.757 14.574 34.270 1.00 12.69 C ATOM 1255 OG SER A 82 -2.723 15.286 33.522 1.00 21.96 O ATOM 1256 H SER A 82 0.191 13.487 35.312 1.00 0.00 H ATOM 1257 HA SER A 82 -0.517 14.058 32.567 1.00 0.00 H ATOM 1258 HB3 SER A 82 -1.659 15.041 35.252 1.00 0.00 H ATOM 1259 HB2 SER A 82 -2.141 13.567 34.440 1.00 0.00 H ATOM 1260 HG SER A 82 -2.407 16.165 33.377 1.00 0.00 H ATOM 1261 N ALA A 83 1.091 16.375 34.274 1.00 9.21 N ATOM 1262 CA ALA A 83 1.790 17.663 34.201 1.00 8.58 C ATOM 1263 C ALA A 83 2.909 17.666 33.141 1.00 9.49 C ATOM 1264 O ALA A 83 3.348 18.734 32.717 1.00 10.52 O ATOM 1265 CB ALA A 83 2.431 17.948 35.570 1.00 7.52 C ATOM 1266 H ALA A 83 1.349 15.760 35.035 1.00 0.00 H ATOM 1267 HA ALA A 83 1.073 18.451 33.966 1.00 0.00 H ATOM 1268 HB1 ALA A 83 2.893 18.936 35.589 1.00 0.00 H ATOM 1269 HB2 ALA A 83 1.685 17.926 36.365 1.00 0.00 H ATOM 1270 HB3 ALA A 83 3.203 17.220 35.818 1.00 0.00 H ATOM 1271 N LEU A 84 3.345 16.477 32.692 1.00 9.39 N ATOM 1272 CA LEU A 84 4.336 16.282 31.636 1.00 10.08 C ATOM 1273 C LEU A 84 3.680 16.283 30.240 1.00 10.31 C ATOM 1274 O LEU A 84 4.392 16.427 29.247 1.00 11.68 O ATOM 1275 CB LEU A 84 5.008 14.905 31.846 1.00 10.59 C ATOM 1276 CG LEU A 84 5.634 14.676 33.242 1.00 12.03 C ATOM 1277 CD1 LEU A 84 6.132 13.233 33.362 1.00 14.41 C ATOM 1278 CD2 LEU A 84 6.772 15.658 33.549 1.00 13.83 C ATOM 1279 H LEU A 84 2.933 15.645 33.090 1.00 0.00 H ATOM 1280 HA LEU A 84 5.088 17.072 31.670 1.00 0.00 H ATOM 1281 HB3 LEU A 84 5.780 14.762 31.088 1.00 0.00 H ATOM 1282 HB2 LEU A 84 4.274 14.119 31.663 1.00 0.00 H ATOM 1283 HG LEU A 84 4.868 14.806 34.008 1.00 0.00 H ATOM 1284 HD11 LEU A 84 6.665 13.071 34.299 1.00 0.00 H ATOM 1285 HD12 LEU A 84 5.297 12.535 33.329 1.00 0.00 H ATOM 1286 HD13 LEU A 84 6.807 12.979 32.547 1.00 0.00 H ATOM 1287 HD21 LEU A 84 7.212 15.462 34.527 1.00 0.00 H ATOM 1288 HD22 LEU A 84 7.564 15.573 32.806 1.00 0.00 H ATOM 1289 HD23 LEU A 84 6.419 16.689 33.558 1.00 0.00 H ATOM 1290 N LEU A 85 2.342 16.148 30.161 1.00 8.69 N ATOM 1291 CA LEU A 85 1.553 16.138 28.926 1.00 9.80 C ATOM 1292 C LEU A 85 0.948 17.514 28.584 1.00 10.98 C ATOM 1293 O LEU A 85 0.196 17.628 27.615 1.00 11.23 O ATOM 1294 CB LEU A 85 0.421 15.094 29.057 1.00 9.65 C ATOM 1295 CG LEU A 85 0.899 13.635 29.231 1.00 11.49 C ATOM 1296 CD1 LEU A 85 -0.313 12.699 29.355 1.00 11.69 C ATOM 1297 CD2 LEU A 85 1.826 13.181 28.089 1.00 10.42 C ATOM 1298 H LEU A 85 1.829 16.050 31.026 1.00 0.00 H ATOM 1299 HA LEU A 85 2.185 15.881 28.084 1.00 0.00 H ATOM 1300 HB3 LEU A 85 -0.214 15.132 28.169 1.00 0.00 H ATOM 1301 HB2 LEU A 85 -0.224 15.363 29.895 1.00 0.00 H ATOM 1302 HG LEU A 85 1.462 13.562 30.162 1.00 0.00 H ATOM 1303 HD11 LEU A 85 -0.011 11.664 29.503 1.00 0.00 H ATOM 1304 HD12 LEU A 85 -0.941 12.980 30.201 1.00 0.00 H ATOM 1305 HD13 LEU A 85 -0.931 12.734 28.457 1.00 0.00 H ATOM 1306 HD21 LEU A 85 2.115 12.141 28.204 1.00 0.00 H ATOM 1307 HD22 LEU A 85 1.346 13.285 27.116 1.00 0.00 H ATOM 1308 HD23 LEU A 85 2.756 13.747 28.071 1.00 0.00 H ATOM 1309 N GLN A 86 1.313 18.564 29.335 1.00 11.32 N ATOM 1310 CA GLN A 86 0.957 19.959 29.089 1.00 12.05 C ATOM 1311 C GLN A 86 1.799 20.541 27.938 1.00 12.50 C ATOM 1312 O GLN A 86 2.961 20.172 27.762 1.00 13.43 O ATOM 1313 CB GLN A 86 1.281 20.755 30.370 1.00 12.81 C ATOM 1314 CG GLN A 86 0.227 20.570 31.483 1.00 17.85 C ATOM 1315 CD GLN A 86 0.594 21.224 32.821 1.00 22.38 C ATOM 1316 OE1 GLN A 86 -0.297 21.585 33.586 1.00 26.38 O ATOM 1317 NE2 GLN A 86 1.885 21.397 33.114 1.00 24.36 N ATOM 1318 H GLN A 86 1.946 18.387 30.102 1.00 0.00 H ATOM 1319 HA GLN A 86 -0.104 20.043 28.844 1.00 0.00 H ATOM 1320 HB3 GLN A 86 1.337 21.822 30.145 1.00 0.00 H ATOM 1321 HB2 GLN A 86 2.275 20.469 30.719 1.00 0.00 H ATOM 1322 HG3 GLN A 86 0.076 19.507 31.674 1.00 0.00 H ATOM 1323 HG2 GLN A 86 -0.734 20.962 31.148 1.00 0.00 H ATOM 1324 HE22 GLN A 86 2.164 21.793 34.005 1.00 0.00 H ATOM 1325 HE21 GLN A 86 2.595 21.052 32.483 1.00 0.00 H ATOM 1326 N ASP A 87 1.217 21.494 27.189 1.00 10.56 N ATOM 1327 CA ASP A 87 1.885 22.271 26.133 1.00 10.92 C ATOM 1328 C ASP A 87 2.958 23.223 26.697 1.00 11.29 C ATOM 1329 O ASP A 87 3.936 23.517 26.008 1.00 11.81 O ATOM 1330 CB ASP A 87 0.849 23.104 25.337 1.00 12.90 C ATOM 1331 CG ASP A 87 -0.259 22.298 24.647 1.00 14.45 C ATOM 1332 OD1 ASP A 87 -0.058 21.084 24.421 1.00 16.31 O ATOM 1333 OD2 ASP A 87 -1.283 22.930 24.310 1.00 14.66 O1- ATOM 1334 H ASP A 87 0.252 21.721 27.379 1.00 0.00 H ATOM 1335 HA ASP A 87 2.383 21.576 25.454 1.00 0.00 H ATOM 1336 HB3 ASP A 87 1.355 23.687 24.567 1.00 0.00 H ATOM 1337 HB2 ASP A 87 0.372 23.827 26.001 1.00 0.00 H ATOM 1338 N ASN A 88 2.794 23.651 27.961 1.00 11.92 N ATOM 1339 CA ASN A 88 3.796 24.333 28.772 1.00 14.02 C ATOM 1340 C ASN A 88 4.668 23.236 29.409 1.00 13.29 C ATOM 1341 O ASN A 88 4.162 22.367 30.121 1.00 14.19 O ATOM 1342 CB ASN A 88 3.051 25.121 29.877 1.00 17.09 C ATOM 1343 CG ASN A 88 3.959 26.103 30.626 1.00 22.42 C ATOM 1344 OD1 ASN A 88 4.817 25.691 31.401 1.00 25.63 O ATOM 1345 ND2 ASN A 88 3.784 27.405 30.391 1.00 24.38 N ATOM 1346 H ASN A 88 1.957 23.353 28.441 1.00 0.00 H ATOM 1347 HA ASN A 88 4.391 25.007 28.152 1.00 0.00 H ATOM 1348 HB3 ASN A 88 2.585 24.451 30.601 1.00 0.00 H ATOM 1349 HB2 ASN A 88 2.230 25.684 29.429 1.00 0.00 H ATOM 1350 HD22 ASN A 88 4.366 28.078 30.868 1.00 0.00 H ATOM 1351 HD21 ASN A 88 3.065 27.715 29.753 1.00 0.00 H ATOM 1352 N ILE A 89 5.979 23.284 29.133 1.00 11.24 N ATOM 1353 CA ILE A 89 6.950 22.255 29.509 1.00 10.83 C ATOM 1354 C ILE A 89 7.758 22.633 30.767 1.00 10.70 C ATOM 1355 O ILE A 89 8.791 22.016 31.010 1.00 10.23 O ATOM 1356 CB ILE A 89 7.884 21.964 28.295 1.00 11.18 C ATOM 1357 CG1 ILE A 89 8.742 23.172 27.839 1.00 10.78 C ATOM 1358 CG2 ILE A 89 7.075 21.366 27.128 1.00 10.81 C ATOM 1359 CD1 ILE A 89 9.868 22.784 26.870 1.00 10.45 C ATOM 1360 H ILE A 89 6.315 24.036 28.550 1.00 0.00 H ATOM 1361 HA ILE A 89 6.432 21.327 29.756 1.00 0.00 H ATOM 1362 HB ILE A 89 8.577 21.180 28.603 1.00 0.00 H ATOM 1363 HG13 ILE A 89 9.208 23.652 28.699 1.00 0.00 H ATOM 1364 HG12 ILE A 89 8.110 23.932 27.377 1.00 0.00 H ATOM 1365 HG21 ILE A 89 7.720 21.003 26.329 1.00 0.00 H ATOM 1366 HG22 ILE A 89 6.477 20.519 27.465 1.00 0.00 H ATOM 1367 HG23 ILE A 89 6.394 22.098 26.696 1.00 0.00 H ATOM 1368 HD11 ILE A 89 10.510 23.636 26.650 1.00 0.00 H ATOM 1369 HD12 ILE A 89 10.499 22.000 27.290 1.00 0.00 H ATOM 1370 HD13 ILE A 89 9.468 22.425 25.923 1.00 0.00 H ATOM 1371 N ALA A 90 7.312 23.609 31.581 1.00 8.94 N ATOM 1372 CA ALA A 90 8.007 24.062 32.793 1.00 8.93 C ATOM 1373 C ALA A 90 8.142 22.973 33.874 1.00 9.86 C ATOM 1374 O ALA A 90 9.190 22.890 34.512 1.00 9.38 O ATOM 1375 CB ALA A 90 7.277 25.280 33.375 1.00 8.75 C ATOM 1376 H ALA A 90 6.448 24.077 31.340 1.00 0.00 H ATOM 1377 HA ALA A 90 9.013 24.374 32.502 1.00 0.00 H ATOM 1378 HB1 ALA A 90 7.785 25.657 34.264 1.00 0.00 H ATOM 1379 HB2 ALA A 90 7.242 26.096 32.654 1.00 0.00 H ATOM 1380 HB3 ALA A 90 6.252 25.037 33.659 1.00 0.00 H ATOM 1381 N ASP A 91 7.119 22.114 34.036 1.00 10.13 N ATOM 1382 CA ASP A 91 7.120 20.968 34.956 1.00 9.50 C ATOM 1383 C ASP A 91 7.895 19.768 34.384 1.00 8.21 C ATOM 1384 O ASP A 91 8.483 19.009 35.154 1.00 8.11 O ATOM 1385 CB ASP A 91 5.666 20.511 35.230 1.00 12.41 C ATOM 1386 CG ASP A 91 4.800 21.581 35.900 1.00 16.63 C ATOM 1387 OD1 ASP A 91 5.277 22.159 36.901 1.00 17.05 O ATOM 1388 OD2 ASP A 91 3.671 21.795 35.408 1.00 21.71 O1- ATOM 1389 H ASP A 91 6.287 22.258 33.482 1.00 0.00 H ATOM 1390 HA ASP A 91 7.589 21.261 35.897 1.00 0.00 H ATOM 1391 HB3 ASP A 91 5.662 19.638 35.884 1.00 0.00 H ATOM 1392 HB2 ASP A 91 5.186 20.199 34.301 1.00 0.00 H ATOM 1393 N ALA A 92 7.938 19.615 33.047 1.00 9.76 N ATOM 1394 CA ALA A 92 8.703 18.577 32.355 1.00 9.03 C ATOM 1395 C ALA A 92 10.209 18.880 32.357 1.00 9.95 C ATOM 1396 O ALA A 92 11.009 17.953 32.448 1.00 10.59 O ATOM 1397 CB ALA A 92 8.213 18.480 30.901 1.00 8.98 C ATOM 1398 H ALA A 92 7.443 20.285 32.477 1.00 0.00 H ATOM 1399 HA ALA A 92 8.551 17.622 32.855 1.00 0.00 H ATOM 1400 HB1 ALA A 92 8.735 17.689 30.361 1.00 0.00 H ATOM 1401 HB2 ALA A 92 7.148 18.248 30.862 1.00 0.00 H ATOM 1402 HB3 ALA A 92 8.367 19.410 30.354 1.00 0.00 H ATOM 1403 N VAL A 93 10.585 20.168 32.308 1.00 9.44 N ATOM 1404 CA VAL A 93 11.952 20.668 32.420 1.00 7.86 C ATOM 1405 C VAL A 93 12.433 20.630 33.883 1.00 8.43 C ATOM 1406 O VAL A 93 13.589 20.285 34.112 1.00 10.38 O ATOM 1407 CB VAL A 93 12.005 22.104 31.826 1.00 7.19 C ATOM 1408 CG1 VAL A 93 13.245 22.919 32.237 1.00 7.07 C ATOM 1409 CG2 VAL A 93 11.929 22.042 30.290 1.00 8.43 C ATOM 1410 H VAL A 93 9.858 20.863 32.197 1.00 0.00 H ATOM 1411 HA VAL A 93 12.615 20.025 31.840 1.00 0.00 H ATOM 1412 HB VAL A 93 11.136 22.662 32.179 1.00 0.00 H ATOM 1413 HG11 VAL A 93 13.392 23.774 31.580 1.00 0.00 H ATOM 1414 HG12 VAL A 93 13.164 23.295 33.257 1.00 0.00 H ATOM 1415 HG13 VAL A 93 14.142 22.311 32.178 1.00 0.00 H ATOM 1416 HG21 VAL A 93 11.850 23.037 29.856 1.00 0.00 H ATOM 1417 HG22 VAL A 93 12.819 21.572 29.875 1.00 0.00 H ATOM 1418 HG23 VAL A 93 11.070 21.470 29.940 1.00 0.00 H ATOM 1419 N ALA A 94 11.563 20.924 34.866 1.00 7.62 N ATOM 1420 CA ALA A 94 11.882 20.865 36.297 1.00 7.29 C ATOM 1421 C ALA A 94 12.122 19.427 36.791 1.00 8.04 C ATOM 1422 O ALA A 94 12.932 19.218 37.695 1.00 10.18 O ATOM 1423 CB ALA A 94 10.721 21.479 37.092 1.00 8.25 C ATOM 1424 H ALA A 94 10.628 21.213 34.613 1.00 0.00 H ATOM 1425 HA ALA A 94 12.786 21.449 36.479 1.00 0.00 H ATOM 1426 HB1 ALA A 94 10.919 21.457 38.165 1.00 0.00 H ATOM 1427 HB2 ALA A 94 10.566 22.522 36.816 1.00 0.00 H ATOM 1428 HB3 ALA A 94 9.786 20.945 36.918 1.00 0.00 H ATOM 1429 N CYS A 95 11.452 18.442 36.169 1.00 8.25 N ATOM 1430 CA CYS A 95 11.619 17.020 36.447 1.00 8.82 C ATOM 1431 C CYS A 95 12.751 16.405 35.607 1.00 8.61 C ATOM 1432 O CYS A 95 13.405 15.485 36.089 1.00 8.66 O ATOM 1433 CB CYS A 95 10.288 16.315 36.138 1.00 9.81 C ATOM 1434 SG CYS A 95 10.184 14.539 36.506 1.00 10.04 S ATOM 1435 H CYS A 95 10.790 18.700 35.451 1.00 0.00 H ATOM 1436 HA CYS A 95 11.849 16.889 37.504 1.00 0.00 H ATOM 1437 HB3 CYS A 95 10.013 16.458 35.091 1.00 0.00 H ATOM 1438 HB2 CYS A 95 9.512 16.805 36.720 1.00 0.00 H ATOM 1439 N ALA A 96 13.052 16.937 34.408 1.00 8.87 N ATOM 1440 CA ALA A 96 14.221 16.545 33.612 1.00 7.76 C ATOM 1441 C ALA A 96 15.534 17.038 34.247 1.00 9.20 C ATOM 1442 O ALA A 96 16.557 16.372 34.107 1.00 8.98 O ATOM 1443 CB ALA A 96 14.100 17.128 32.199 1.00 9.06 C ATOM 1444 H ALA A 96 12.469 17.677 34.042 1.00 0.00 H ATOM 1445 HA ALA A 96 14.253 15.457 33.541 1.00 0.00 H ATOM 1446 HB1 ALA A 96 14.964 16.870 31.586 1.00 0.00 H ATOM 1447 HB2 ALA A 96 13.223 16.730 31.691 1.00 0.00 H ATOM 1448 HB3 ALA A 96 14.016 18.214 32.214 1.00 0.00 H ATOM 1449 N LYS A 97 15.488 18.152 35.000 1.00 7.86 N ATOM 1450 CA LYS A 97 16.571 18.645 35.847 1.00 8.52 C ATOM 1451 C LYS A 97 16.783 17.739 37.073 1.00 10.05 C ATOM 1452 O LYS A 97 17.930 17.508 37.445 1.00 10.18 O ATOM 1453 CB LYS A 97 16.243 20.072 36.326 1.00 8.77 C ATOM 1454 CG LYS A 97 16.521 21.148 35.266 1.00 9.15 C ATOM 1455 CD LYS A 97 16.190 22.554 35.776 1.00 9.22 C ATOM 1456 CE LYS A 97 16.463 23.643 34.732 1.00 10.36 C ATOM 1457 NZ LYS A 97 16.231 24.978 35.302 1.00 11.89 N1+ ATOM 1458 H LYS A 97 14.615 18.662 35.030 1.00 0.00 H ATOM 1459 HA LYS A 97 17.496 18.668 35.269 1.00 0.00 H ATOM 1460 HB3 LYS A 97 16.844 20.314 37.204 1.00 0.00 H ATOM 1461 HB2 LYS A 97 15.205 20.132 36.652 1.00 0.00 H ATOM 1462 HG3 LYS A 97 15.954 20.940 34.363 1.00 0.00 H ATOM 1463 HG2 LYS A 97 17.567 21.109 34.967 1.00 0.00 H ATOM 1464 HD3 LYS A 97 16.776 22.755 36.674 1.00 0.00 H ATOM 1465 HD2 LYS A 97 15.142 22.593 36.075 1.00 0.00 H ATOM 1466 HE3 LYS A 97 15.814 23.509 33.867 1.00 0.00 H ATOM 1467 HE2 LYS A 97 17.492 23.588 34.373 1.00 0.00 H ATOM 1468 HZ1 LYS A 97 16.308 25.670 34.566 1.00 0.00 H ATOM 1469 HZ2 LYS A 97 15.299 25.023 35.689 1.00 0.00 H ATOM 1470 HZ3 LYS A 97 16.910 25.170 36.024 1.00 0.00 H ATOM 1471 N ARG A 98 15.704 17.196 37.670 1.00 9.47 N ATOM 1472 CA ARG A 98 15.761 16.232 38.774 1.00 9.65 C ATOM 1473 C ARG A 98 16.376 14.887 38.343 1.00 8.61 C ATOM 1474 O ARG A 98 17.171 14.335 39.102 1.00 9.65 O ATOM 1475 CB ARG A 98 14.347 16.044 39.381 1.00 9.60 C ATOM 1476 CG ARG A 98 14.181 14.915 40.426 1.00 10.38 C ATOM 1477 CD ARG A 98 15.008 15.109 41.706 1.00 12.62 C ATOM 1478 NE ARG A 98 15.049 13.882 42.516 1.00 14.93 N ATOM 1479 CZ ARG A 98 16.019 12.948 42.491 1.00 15.48 C ATOM 1480 NH1 ARG A 98 17.046 13.025 41.635 1.00 16.59 N ATOM 1481 NH2 ARG A 98 15.963 11.907 43.329 1.00 18.84 N1+ ATOM 1482 H ARG A 98 14.791 17.427 37.304 1.00 0.00 H ATOM 1483 HA ARG A 98 16.413 16.654 39.540 1.00 0.00 H ATOM 1484 HB3 ARG A 98 13.641 15.841 38.580 1.00 0.00 H ATOM 1485 HB2 ARG A 98 14.020 16.986 39.822 1.00 0.00 H ATOM 1486 HG3 ARG A 98 14.400 13.947 39.977 1.00 0.00 H ATOM 1487 HG2 ARG A 98 13.129 14.861 40.703 1.00 0.00 H ATOM 1488 HD3 ARG A 98 14.567 15.904 42.306 1.00 0.00 H ATOM 1489 HD2 ARG A 98 16.027 15.423 41.482 1.00 0.00 H ATOM 1490 HE ARG A 98 14.261 13.744 43.135 1.00 0.00 H ATOM 1491 HH12 ARG A 98 17.766 12.302 41.610 1.00 0.00 H ATOM 1492 HH11 ARG A 98 17.078 13.752 40.932 1.00 0.00 H ATOM 1493 HH22 ARG A 98 16.684 11.199 43.296 1.00 0.00 H ATOM 1494 HH21 ARG A 98 15.209 11.816 43.994 1.00 0.00 H ATOM 1495 N VAL A 99 16.045 14.389 37.135 1.00 9.43 N ATOM 1496 CA VAL A 99 16.575 13.156 36.534 1.00 10.68 C ATOM 1497 C VAL A 99 18.113 13.153 36.463 1.00 11.66 C ATOM 1498 O VAL A 99 18.738 12.152 36.815 1.00 10.98 O ATOM 1499 CB VAL A 99 15.927 12.909 35.138 1.00 10.83 C ATOM 1500 CG1 VAL A 99 16.590 11.769 34.331 1.00 11.36 C ATOM 1501 CG2 VAL A 99 14.414 12.633 35.223 1.00 9.77 C ATOM 1502 H VAL A 99 15.366 14.901 36.587 1.00 0.00 H ATOM 1503 HA VAL A 99 16.288 12.334 37.186 1.00 0.00 H ATOM 1504 HB VAL A 99 16.051 13.823 34.558 1.00 0.00 H ATOM 1505 HG11 VAL A 99 16.023 11.542 33.429 1.00 0.00 H ATOM 1506 HG12 VAL A 99 17.600 12.025 34.011 1.00 0.00 H ATOM 1507 HG13 VAL A 99 16.645 10.852 34.918 1.00 0.00 H ATOM 1508 HG21 VAL A 99 13.897 13.017 34.344 1.00 0.00 H ATOM 1509 HG22 VAL A 99 14.214 11.565 35.262 1.00 0.00 H ATOM 1510 HG23 VAL A 99 13.950 13.068 36.106 1.00 0.00 H ATOM 1511 N VAL A 100 18.708 14.273 36.021 1.00 10.38 N ATOM 1512 CA VAL A 100 20.142 14.382 35.770 1.00 11.28 C ATOM 1513 C VAL A 100 20.956 14.785 37.014 1.00 13.49 C ATOM 1514 O VAL A 100 22.180 14.728 36.941 1.00 14.77 O ATOM 1515 CB VAL A 100 20.400 15.367 34.598 1.00 9.58 C ATOM 1516 CG1 VAL A 100 19.689 14.893 33.320 1.00 10.96 C ATOM 1517 CG2 VAL A 100 20.054 16.837 34.893 1.00 11.51 C ATOM 1518 H VAL A 100 18.128 15.059 35.765 1.00 0.00 H ATOM 1519 HA VAL A 100 20.512 13.402 35.465 1.00 0.00 H ATOM 1520 HB VAL A 100 21.469 15.335 34.385 1.00 0.00 H ATOM 1521 HG11 VAL A 100 20.049 15.424 32.440 1.00 0.00 H ATOM 1522 HG12 VAL A 100 19.842 13.832 33.145 1.00 0.00 H ATOM 1523 HG13 VAL A 100 18.612 15.038 33.381 1.00 0.00 H ATOM 1524 HG21 VAL A 100 20.289 17.470 34.038 1.00 0.00 H ATOM 1525 HG22 VAL A 100 18.994 16.950 35.099 1.00 0.00 H ATOM 1526 HG23 VAL A 100 20.609 17.231 35.744 1.00 0.00 H ATOM 1527 N ARG A 101 20.326 15.133 38.155 1.00 14.24 N ATOM 1528 CA ARG A 101 21.026 15.351 39.431 1.00 15.55 C ATOM 1529 C ARG A 101 21.462 14.036 40.112 1.00 17.82 C ATOM 1530 O ARG A 101 22.303 14.089 41.010 1.00 19.94 O ATOM 1531 CB ARG A 101 20.154 16.174 40.407 1.00 16.44 C ATOM 1532 CG ARG A 101 20.141 17.677 40.068 1.00 17.27 C ATOM 1533 CD ARG A 101 19.602 18.577 41.191 1.00 17.63 C ATOM 1534 NE ARG A 101 18.231 18.232 41.600 1.00 19.75 N ATOM 1535 CZ ARG A 101 17.094 18.773 41.130 1.00 20.43 C ATOM 1536 NH1 ARG A 101 17.093 19.640 40.108 1.00 19.48 N ATOM 1537 NH2 ARG A 101 15.929 18.440 41.700 1.00 22.49 N1+ ATOM 1538 H ARG A 101 19.316 15.158 38.161 1.00 0.00 H ATOM 1539 HA ARG A 101 21.944 15.909 39.238 1.00 0.00 H ATOM 1540 HB3 ARG A 101 20.542 16.071 41.422 1.00 0.00 H ATOM 1541 HB2 ARG A 101 19.137 15.781 40.436 1.00 0.00 H ATOM 1542 HG3 ARG A 101 19.593 17.860 39.150 1.00 0.00 H ATOM 1543 HG2 ARG A 101 21.161 18.000 39.860 1.00 0.00 H ATOM 1544 HD3 ARG A 101 19.650 19.625 40.899 1.00 0.00 H ATOM 1545 HD2 ARG A 101 20.242 18.480 42.069 1.00 0.00 H ATOM 1546 HE ARG A 101 18.164 17.546 42.338 1.00 0.00 H ATOM 1547 HH12 ARG A 101 16.228 20.036 39.771 1.00 0.00 H ATOM 1548 HH11 ARG A 101 17.961 19.889 39.650 1.00 0.00 H ATOM 1549 HH22 ARG A 101 15.064 18.842 41.366 1.00 0.00 H ATOM 1550 HH21 ARG A 101 15.910 17.818 42.494 1.00 0.00 H ATOM 1551 N ASP A 102 20.983 12.869 39.642 1.00 17.32 N ATOM 1552 CA ASP A 102 21.555 11.553 39.956 1.00 18.59 C ATOM 1553 C ASP A 102 22.879 11.360 39.178 1.00 18.77 C ATOM 1554 O ASP A 102 23.016 11.945 38.101 1.00 16.93 O ATOM 1555 CB ASP A 102 20.577 10.425 39.542 1.00 21.44 C ATOM 1556 CG ASP A 102 19.349 10.261 40.445 1.00 24.11 C ATOM 1557 OD1 ASP A 102 19.061 11.175 41.249 1.00 24.57 O ATOM 1558 OD2 ASP A 102 18.717 9.190 40.326 1.00 27.37 O1- ATOM 1559 H ASP A 102 20.289 12.900 38.909 1.00 0.00 H ATOM 1560 HA ASP A 102 21.729 11.513 41.031 1.00 0.00 H ATOM 1561 HB3 ASP A 102 21.091 9.463 39.537 1.00 0.00 H ATOM 1562 HB2 ASP A 102 20.232 10.582 38.520 1.00 0.00 H ATOM 1563 N PRO A 103 23.851 10.564 39.695 1.00 19.73 N ATOM 1564 CA PRO A 103 25.195 10.345 39.116 1.00 19.77 C ATOM 1565 C PRO A 103 25.303 10.115 37.596 1.00 19.76 C ATOM 1566 O PRO A 103 26.255 10.597 36.983 1.00 20.11 O ATOM 1567 CB PRO A 103 25.767 9.141 39.876 1.00 20.69 C ATOM 1568 CG PRO A 103 25.098 9.203 41.234 1.00 21.59 C ATOM 1569 CD PRO A 103 23.733 9.834 40.964 1.00 20.47 C ATOM 1570 HA PRO A 103 25.785 11.229 39.366 1.00 0.00 H ATOM 1571 HB3 PRO A 103 26.855 9.168 39.947 1.00 0.00 H ATOM 1572 HB2 PRO A 103 25.490 8.204 39.388 1.00 0.00 H ATOM 1573 HG3 PRO A 103 25.676 9.856 41.889 1.00 0.00 H ATOM 1574 HG2 PRO A 103 25.026 8.229 41.718 1.00 0.00 H ATOM 1575 HD2 PRO A 103 22.974 9.057 40.868 1.00 0.00 H ATOM 1576 HD3 PRO A 103 23.460 10.481 41.797 1.00 0.00 H ATOM 1577 N GLN A 104 24.322 9.415 36.998 1.00 18.69 N ATOM 1578 CA GLN A 104 24.239 9.086 35.573 1.00 19.68 C ATOM 1579 C GLN A 104 24.154 10.315 34.649 1.00 17.41 C ATOM 1580 O GLN A 104 24.742 10.296 33.570 1.00 16.05 O ATOM 1581 CB GLN A 104 23.021 8.153 35.340 1.00 23.43 C ATOM 1582 CG GLN A 104 23.441 6.747 34.865 1.00 29.51 C ATOM 1583 CD GLN A 104 22.291 5.754 34.646 1.00 33.01 C ATOM 1584 OE1 GLN A 104 22.496 4.719 34.018 1.00 36.02 O ATOM 1585 NE2 GLN A 104 21.083 6.047 35.134 1.00 35.42 N ATOM 1586 H GLN A 104 23.577 9.068 37.584 1.00 0.00 H ATOM 1587 HA GLN A 104 25.159 8.556 35.315 1.00 0.00 H ATOM 1588 HB3 GLN A 104 22.344 8.576 34.595 1.00 0.00 H ATOM 1589 HB2 GLN A 104 22.428 8.078 36.253 1.00 0.00 H ATOM 1590 HG3 GLN A 104 24.119 6.306 35.597 1.00 0.00 H ATOM 1591 HG2 GLN A 104 24.002 6.826 33.933 1.00 0.00 H ATOM 1592 HE22 GLN A 104 20.322 5.397 34.996 1.00 0.00 H ATOM 1593 HE21 GLN A 104 20.932 6.908 35.638 1.00 0.00 H ATOM 1594 N GLY A 105 23.437 11.374 35.058 1.00 14.44 N ATOM 1595 CA GLY A 105 23.166 12.544 34.228 1.00 14.25 C ATOM 1596 C GLY A 105 22.109 12.242 33.159 1.00 11.86 C ATOM 1597 O GLY A 105 21.161 11.496 33.412 1.00 13.19 O ATOM 1598 H GLY A 105 23.006 11.343 35.972 1.00 0.00 H ATOM 1599 HA3 GLY A 105 24.088 12.897 33.764 1.00 0.00 H ATOM 1600 HA2 GLY A 105 22.812 13.351 34.863 1.00 0.00 H ATOM 1601 N ILE A 106 22.285 12.817 31.957 1.00 12.19 N ATOM 1602 CA ILE A 106 21.461 12.585 30.760 1.00 12.78 C ATOM 1603 C ILE A 106 21.643 11.164 30.158 1.00 13.75 C ATOM 1604 O ILE A 106 20.887 10.759 29.276 1.00 12.40 O ATOM 1605 CB ILE A 106 21.768 13.713 29.732 1.00 14.09 C ATOM 1606 CG1 ILE A 106 20.760 13.740 28.561 1.00 13.70 C ATOM 1607 CG2 ILE A 106 23.228 13.703 29.230 1.00 14.96 C ATOM 1608 CD1 ILE A 106 20.652 15.097 27.854 1.00 15.52 C ATOM 1609 H ILE A 106 23.079 13.430 31.841 1.00 0.00 H ATOM 1610 HA ILE A 106 20.418 12.673 31.066 1.00 0.00 H ATOM 1611 HB ILE A 106 21.623 14.651 30.268 1.00 0.00 H ATOM 1612 HG13 ILE A 106 19.769 13.486 28.932 1.00 0.00 H ATOM 1613 HG12 ILE A 106 21.012 12.971 27.833 1.00 0.00 H ATOM 1614 HG21 ILE A 106 23.428 14.543 28.566 1.00 0.00 H ATOM 1615 HG22 ILE A 106 23.938 13.777 30.054 1.00 0.00 H ATOM 1616 HG23 ILE A 106 23.458 12.791 28.681 1.00 0.00 H ATOM 1617 HD11 ILE A 106 19.948 15.044 27.025 1.00 0.00 H ATOM 1618 HD12 ILE A 106 20.290 15.865 28.536 1.00 0.00 H ATOM 1619 HD13 ILE A 106 21.609 15.423 27.449 1.00 0.00 H ATOM 1620 N ARG A 107 22.600 10.387 30.691 1.00 15.29 N ATOM 1621 CA ARG A 107 22.877 8.977 30.404 1.00 17.31 C ATOM 1622 C ARG A 107 21.864 8.040 31.108 1.00 16.82 C ATOM 1623 O ARG A 107 21.963 6.822 30.967 1.00 17.32 O ATOM 1624 CB ARG A 107 24.314 8.696 30.918 1.00 19.47 C ATOM 1625 CG ARG A 107 25.239 7.980 29.917 1.00 25.84 C ATOM 1626 CD ARG A 107 26.732 8.215 30.200 1.00 28.58 C ATOM 1627 NE ARG A 107 27.085 9.636 30.038 1.00 35.06 N ATOM 1628 CZ ARG A 107 28.256 10.147 29.621 1.00 36.33 C ATOM 1629 NH1 ARG A 107 29.281 9.362 29.264 1.00 36.04 N ATOM 1630 NH2 ARG A 107 28.400 11.477 29.564 1.00 36.42 N1+ ATOM 1631 H ARG A 107 23.156 10.801 31.426 1.00 0.00 H ATOM 1632 HA ARG A 107 22.809 8.819 29.326 1.00 0.00 H ATOM 1633 HB3 ARG A 107 24.309 8.153 31.864 1.00 0.00 H ATOM 1634 HB2 ARG A 107 24.782 9.650 31.155 1.00 0.00 H ATOM 1635 HG3 ARG A 107 25.022 8.311 28.901 1.00 0.00 H ATOM 1636 HG2 ARG A 107 25.042 6.910 29.941 1.00 0.00 H ATOM 1637 HD3 ARG A 107 27.319 7.612 29.507 1.00 0.00 H ATOM 1638 HD2 ARG A 107 26.992 7.890 31.208 1.00 0.00 H ATOM 1639 HE ARG A 107 26.373 10.286 30.336 1.00 0.00 H ATOM 1640 HH12 ARG A 107 30.151 9.759 28.942 1.00 0.00 H ATOM 1641 HH11 ARG A 107 29.171 8.358 29.267 1.00 0.00 H ATOM 1642 HH22 ARG A 107 29.271 11.884 29.256 1.00 0.00 H ATOM 1643 HH21 ARG A 107 27.641 12.086 29.833 1.00 0.00 H ATOM 1644 N ALA A 108 20.871 8.593 31.829 1.00 16.73 N ATOM 1645 CA ALA A 108 19.720 7.883 32.385 1.00 17.08 C ATOM 1646 C ALA A 108 18.698 7.497 31.301 1.00 16.83 C ATOM 1647 O ALA A 108 18.022 6.479 31.445 1.00 20.01 O ATOM 1648 CB ALA A 108 19.035 8.806 33.407 1.00 17.25 C ATOM 1649 H ALA A 108 20.871 9.599 31.926 1.00 0.00 H ATOM 1650 HA ALA A 108 20.058 6.973 32.878 1.00 0.00 H ATOM 1651 HB1 ALA A 108 18.166 8.325 33.858 1.00 0.00 H ATOM 1652 HB2 ALA A 108 19.719 9.065 34.216 1.00 0.00 H ATOM 1653 HB3 ALA A 108 18.699 9.739 32.949 1.00 0.00 H ATOM 1654 N TRP A 109 18.624 8.273 30.206 1.00 15.25 N ATOM 1655 CA TRP A 109 17.856 7.956 29.006 1.00 13.71 C ATOM 1656 C TRP A 109 18.768 7.205 28.025 1.00 13.52 C ATOM 1657 O TRP A 109 19.853 7.680 27.681 1.00 13.43 O ATOM 1658 CB TRP A 109 17.405 9.270 28.347 1.00 12.50 C ATOM 1659 CG TRP A 109 16.334 10.024 29.081 1.00 10.96 C ATOM 1660 CD1 TRP A 109 15.015 9.723 29.072 1.00 11.32 C ATOM 1661 CD2 TRP A 109 16.458 11.235 29.888 1.00 10.39 C ATOM 1662 NE1 TRP A 109 14.320 10.659 29.808 1.00 11.28 N ATOM 1663 CE2 TRP A 109 15.153 11.636 30.310 1.00 10.93 C ATOM 1664 CE3 TRP A 109 17.539 12.053 30.283 1.00 11.04 C ATOM 1665 CZ2 TRP A 109 14.932 12.806 31.059 1.00 9.73 C ATOM 1666 CZ3 TRP A 109 17.332 13.229 31.031 1.00 10.28 C ATOM 1667 CH2 TRP A 109 16.031 13.610 31.416 1.00 11.57 C ATOM 1668 H TRP A 109 19.223 9.085 30.159 1.00 0.00 H ATOM 1669 HA TRP A 109 16.980 7.350 29.245 1.00 0.00 H ATOM 1670 HB3 TRP A 109 17.016 9.057 27.352 1.00 0.00 H ATOM 1671 HB2 TRP A 109 18.254 9.938 28.190 1.00 0.00 H ATOM 1672 HD1 TRP A 109 14.582 8.886 28.543 1.00 0.00 H ATOM 1673 HE1 TRP A 109 13.312 10.637 29.885 1.00 0.00 H ATOM 1674 HE3 TRP A 109 18.538 11.779 29.983 1.00 0.00 H ATOM 1675 HZ2 TRP A 109 13.933 13.089 31.353 1.00 0.00 H ATOM 1676 HZ3 TRP A 109 18.174 13.849 31.296 1.00 0.00 H ATOM 1677 HH2 TRP A 109 15.881 14.514 31.985 1.00 0.00 H ATOM 1678 N VAL A 110 18.310 6.023 27.585 1.00 15.37 N ATOM 1679 CA VAL A 110 19.038 5.098 26.712 1.00 17.15 C ATOM 1680 C VAL A 110 19.084 5.607 25.256 1.00 15.79 C ATOM 1681 O VAL A 110 20.049 5.311 24.554 1.00 15.19 O ATOM 1682 CB VAL A 110 18.378 3.690 26.797 1.00 18.81 C ATOM 1683 CG1 VAL A 110 19.099 2.626 25.943 1.00 19.41 C ATOM 1684 CG2 VAL A 110 18.299 3.183 28.251 1.00 20.93 C ATOM 1685 H VAL A 110 17.406 5.718 27.916 1.00 0.00 H ATOM 1686 HA VAL A 110 20.063 5.014 27.071 1.00 0.00 H ATOM 1687 HB VAL A 110 17.354 3.767 26.426 1.00 0.00 H ATOM 1688 HG11 VAL A 110 18.655 1.641 26.085 1.00 0.00 H ATOM 1689 HG12 VAL A 110 19.037 2.844 24.878 1.00 0.00 H ATOM 1690 HG13 VAL A 110 20.155 2.555 26.209 1.00 0.00 H ATOM 1691 HG21 VAL A 110 17.857 2.188 28.298 1.00 0.00 H ATOM 1692 HG22 VAL A 110 19.291 3.124 28.702 1.00 0.00 H ATOM 1693 HG23 VAL A 110 17.686 3.828 28.881 1.00 0.00 H ATOM 1694 N ALA A 111 18.096 6.411 24.815 1.00 13.96 N ATOM 1695 CA ALA A 111 18.040 6.998 23.473 1.00 14.35 C ATOM 1696 C ALA A 111 19.153 8.031 23.231 1.00 13.64 C ATOM 1697 O ALA A 111 19.638 8.137 22.105 1.00 13.33 O ATOM 1698 CB ALA A 111 16.679 7.680 23.272 1.00 15.95 C ATOM 1699 H ALA A 111 17.341 6.635 25.448 1.00 0.00 H ATOM 1700 HA ALA A 111 18.143 6.194 22.742 1.00 0.00 H ATOM 1701 HB1 ALA A 111 16.553 8.013 22.241 1.00 0.00 H ATOM 1702 HB2 ALA A 111 15.855 7.002 23.498 1.00 0.00 H ATOM 1703 HB3 ALA A 111 16.577 8.556 23.911 1.00 0.00 H ATOM 1704 N TRP A 112 19.599 8.742 24.284 1.00 13.16 N ATOM 1705 CA TRP A 112 20.727 9.672 24.233 1.00 12.32 C ATOM 1706 C TRP A 112 22.068 8.931 24.061 1.00 12.24 C ATOM 1707 O TRP A 112 22.948 9.424 23.360 1.00 10.81 O ATOM 1708 CB TRP A 112 20.753 10.518 25.524 1.00 11.84 C ATOM 1709 CG TRP A 112 21.793 11.600 25.548 1.00 13.33 C ATOM 1710 CD1 TRP A 112 21.632 12.854 25.067 1.00 13.00 C ATOM 1711 CD2 TRP A 112 23.168 11.532 26.037 1.00 13.56 C ATOM 1712 NE1 TRP A 112 22.820 13.545 25.179 1.00 13.40 N ATOM 1713 CE2 TRP A 112 23.808 12.777 25.758 1.00 15.05 C ATOM 1714 CE3 TRP A 112 23.949 10.538 26.672 1.00 14.26 C ATOM 1715 CZ2 TRP A 112 25.158 13.014 26.071 1.00 13.60 C ATOM 1716 CZ3 TRP A 112 25.302 10.764 26.994 1.00 14.57 C ATOM 1717 CH2 TRP A 112 25.909 11.998 26.689 1.00 15.17 C ATOM 1718 H TRP A 112 19.158 8.596 25.181 1.00 0.00 H ATOM 1719 HA TRP A 112 20.583 10.338 23.380 1.00 0.00 H ATOM 1720 HB3 TRP A 112 20.889 9.887 26.403 1.00 0.00 H ATOM 1721 HB2 TRP A 112 19.782 10.997 25.648 1.00 0.00 H ATOM 1722 HD1 TRP A 112 20.721 13.227 24.620 1.00 0.00 H ATOM 1723 HE1 TRP A 112 22.937 14.490 24.840 1.00 0.00 H ATOM 1724 HE3 TRP A 112 23.497 9.587 26.905 1.00 0.00 H ATOM 1725 HZ2 TRP A 112 25.613 13.966 25.843 1.00 0.00 H ATOM 1726 HZ3 TRP A 112 25.882 9.985 27.463 1.00 0.00 H ATOM 1727 HH2 TRP A 112 26.948 12.165 26.932 1.00 0.00 H ATOM 1728 N ARG A 113 22.219 7.736 24.654 1.00 13.06 N ATOM 1729 CA ARG A 113 23.413 6.899 24.516 1.00 14.14 C ATOM 1730 C ARG A 113 23.534 6.263 23.122 1.00 14.20 C ATOM 1731 O ARG A 113 24.654 6.024 22.672 1.00 13.88 O ATOM 1732 CB ARG A 113 23.360 5.782 25.576 1.00 17.33 C ATOM 1733 CG ARG A 113 23.699 6.290 26.987 1.00 21.84 C ATOM 1734 CD ARG A 113 22.890 5.628 28.105 1.00 27.45 C ATOM 1735 NE ARG A 113 23.010 4.165 28.121 1.00 31.35 N ATOM 1736 CZ ARG A 113 22.695 3.379 29.166 1.00 34.27 C ATOM 1737 NH1 ARG A 113 22.251 3.894 30.324 1.00 35.17 N ATOM 1738 NH2 ARG A 113 22.823 2.052 29.047 1.00 35.18 N1+ ATOM 1739 H ARG A 113 21.452 7.372 25.201 1.00 0.00 H ATOM 1740 HA ARG A 113 24.296 7.513 24.684 1.00 0.00 H ATOM 1741 HB3 ARG A 113 24.054 4.978 25.329 1.00 0.00 H ATOM 1742 HB2 ARG A 113 22.372 5.324 25.573 1.00 0.00 H ATOM 1743 HG3 ARG A 113 23.507 7.359 27.051 1.00 0.00 H ATOM 1744 HG2 ARG A 113 24.766 6.174 27.177 1.00 0.00 H ATOM 1745 HD3 ARG A 113 21.841 5.910 28.044 1.00 0.00 H ATOM 1746 HD2 ARG A 113 23.260 6.006 29.051 1.00 0.00 H ATOM 1747 HE ARG A 113 23.306 3.733 27.259 1.00 0.00 H ATOM 1748 HH12 ARG A 113 22.025 3.296 31.105 1.00 0.00 H ATOM 1749 HH11 ARG A 113 22.145 4.896 30.431 1.00 0.00 H ATOM 1750 HH22 ARG A 113 22.590 1.446 29.820 1.00 0.00 H ATOM 1751 HH21 ARG A 113 23.154 1.644 28.185 1.00 0.00 H ATOM 1752 N ASN A 114 22.403 6.015 22.438 1.00 15.79 N ATOM 1753 CA ASN A 114 22.359 5.366 21.128 1.00 15.79 C ATOM 1754 C ASN A 114 22.621 6.342 19.969 1.00 16.64 C ATOM 1755 O ASN A 114 23.185 5.913 18.962 1.00 17.22 O ATOM 1756 CB ASN A 114 20.956 4.750 20.888 1.00 16.34 C ATOM 1757 CG ASN A 114 20.593 3.603 21.839 1.00 19.71 C ATOM 1758 OD1 ASN A 114 21.461 2.888 22.334 1.00 20.33 O ATOM 1759 ND2 ASN A 114 19.299 3.438 22.116 1.00 24.58 N ATOM 1760 H ASN A 114 21.521 6.236 22.880 1.00 0.00 H ATOM 1761 HA ASN A 114 23.113 4.576 21.084 1.00 0.00 H ATOM 1762 HB3 ASN A 114 20.891 4.352 19.874 1.00 0.00 H ATOM 1763 HB2 ASN A 114 20.192 5.527 20.959 1.00 0.00 H ATOM 1764 HD22 ASN A 114 19.019 2.701 22.747 1.00 0.00 H ATOM 1765 HD21 ASN A 114 18.606 4.046 21.706 1.00 0.00 H ATOM 1766 N ARG A 115 22.193 7.615 20.075 1.00 16.15 N ATOM 1767 CA ARG A 115 22.158 8.546 18.941 1.00 16.82 C ATOM 1768 C ARG A 115 22.408 10.028 19.271 1.00 14.90 C ATOM 1769 O ARG A 115 22.039 10.887 18.470 1.00 16.42 O ATOM 1770 CB ARG A 115 20.943 8.246 18.034 1.00 19.58 C ATOM 1771 CG ARG A 115 19.584 8.626 18.646 1.00 22.73 C ATOM 1772 CD ARG A 115 18.498 7.564 18.427 1.00 24.53 C ATOM 1773 NE ARG A 115 18.129 7.465 17.008 1.00 26.30 N ATOM 1774 CZ ARG A 115 17.481 6.441 16.427 1.00 27.36 C ATOM 1775 NH1 ARG A 115 17.083 5.372 17.132 1.00 30.41 N ATOM 1776 NH2 ARG A 115 17.227 6.492 15.114 1.00 26.12 N1+ ATOM 1777 H ARG A 115 21.738 7.903 20.930 1.00 0.00 H ATOM 1778 HA ARG A 115 23.028 8.313 18.332 1.00 0.00 H ATOM 1779 HB3 ARG A 115 20.953 7.188 17.771 1.00 0.00 H ATOM 1780 HB2 ARG A 115 21.057 8.766 17.082 1.00 0.00 H ATOM 1781 HG3 ARG A 115 19.272 9.578 18.226 1.00 0.00 H ATOM 1782 HG2 ARG A 115 19.685 8.805 19.713 1.00 0.00 H ATOM 1783 HD3 ARG A 115 17.606 7.816 18.998 1.00 0.00 H ATOM 1784 HD2 ARG A 115 18.845 6.597 18.794 1.00 0.00 H ATOM 1785 HE ARG A 115 18.356 8.271 16.443 1.00 0.00 H ATOM 1786 HH12 ARG A 115 16.595 4.611 16.683 1.00 0.00 H ATOM 1787 HH11 ARG A 115 17.261 5.328 18.124 1.00 0.00 H ATOM 1788 HH22 ARG A 115 16.740 5.734 14.656 1.00 0.00 H ATOM 1789 HH21 ARG A 115 17.514 7.293 14.570 1.00 0.00 H ATOM 1790 N CYS A 116 23.067 10.330 20.404 1.00 13.65 N ATOM 1791 CA CYS A 116 23.501 11.679 20.795 1.00 12.45 C ATOM 1792 C CYS A 116 24.934 11.685 21.345 1.00 13.32 C ATOM 1793 O CYS A 116 25.691 12.614 21.065 1.00 13.39 O ATOM 1794 CB CYS A 116 22.513 12.335 21.782 1.00 10.50 C ATOM 1795 SG CYS A 116 20.790 12.449 21.240 1.00 11.57 S ATOM 1796 H CYS A 116 23.323 9.570 21.017 1.00 0.00 H ATOM 1797 HA CYS A 116 23.534 12.308 19.904 1.00 0.00 H ATOM 1798 HB3 CYS A 116 22.850 13.342 22.032 1.00 0.00 H ATOM 1799 HB2 CYS A 116 22.520 11.785 22.717 1.00 0.00 H ATOM 1800 N GLN A 117 25.304 10.651 22.121 1.00 14.16 N ATOM 1801 CA GLN A 117 26.597 10.503 22.785 1.00 15.98 C ATOM 1802 C GLN A 117 27.689 10.182 21.751 1.00 17.55 C ATOM 1803 O GLN A 117 27.573 9.212 21.002 1.00 16.73 O ATOM 1804 CB GLN A 117 26.490 9.345 23.803 1.00 16.78 C ATOM 1805 CG GLN A 117 27.699 9.252 24.764 1.00 18.32 C ATOM 1806 CD GLN A 117 27.739 8.009 25.662 1.00 20.86 C ATOM 1807 OE1 GLN A 117 28.543 7.957 26.589 1.00 26.80 O ATOM 1808 NE2 GLN A 117 26.895 7.005 25.419 1.00 22.55 N ATOM 1809 H GLN A 117 24.610 9.947 22.329 1.00 0.00 H ATOM 1810 HA GLN A 117 26.827 11.431 23.313 1.00 0.00 H ATOM 1811 HB3 GLN A 117 26.350 8.407 23.263 1.00 0.00 H ATOM 1812 HB2 GLN A 117 25.589 9.484 24.400 1.00 0.00 H ATOM 1813 HG3 GLN A 117 27.734 10.139 25.397 1.00 0.00 H ATOM 1814 HG2 GLN A 117 28.629 9.256 24.199 1.00 0.00 H ATOM 1815 HE22 GLN A 117 26.928 6.178 25.995 1.00 0.00 H ATOM 1816 HE21 GLN A 117 26.262 7.056 24.634 1.00 0.00 H ATOM 1817 N ASN A 118 28.736 11.023 21.723 1.00 18.36 N ATOM 1818 CA ASN A 118 29.940 10.930 20.882 1.00 21.30 C ATOM 1819 C ASN A 118 29.726 11.408 19.432 1.00 21.79 C ATOM 1820 O ASN A 118 30.638 11.299 18.614 1.00 24.37 O ATOM 1821 CB ASN A 118 30.678 9.566 20.982 1.00 25.26 C ATOM 1822 CG ASN A 118 31.045 9.160 22.414 1.00 28.23 C ATOM 1823 OD1 ASN A 118 31.637 9.940 23.156 1.00 31.15 O ATOM 1824 ND2 ASN A 118 30.659 7.948 22.821 1.00 31.03 N ATOM 1825 H ASN A 118 28.715 11.800 22.369 1.00 0.00 H ATOM 1826 HA ASN A 118 30.614 11.678 21.302 1.00 0.00 H ATOM 1827 HB3 ASN A 118 31.609 9.608 20.416 1.00 0.00 H ATOM 1828 HB2 ASN A 118 30.086 8.779 20.512 1.00 0.00 H ATOM 1829 HD22 ASN A 118 30.871 7.648 23.761 1.00 0.00 H ATOM 1830 HD21 ASN A 118 30.159 7.339 22.191 1.00 0.00 H ATOM 1831 N ARG A 119 28.530 11.933 19.116 1.00 19.74 N ATOM 1832 CA ARG A 119 28.137 12.448 17.807 1.00 20.22 C ATOM 1833 C ARG A 119 28.120 13.982 17.819 1.00 21.20 C ATOM 1834 O ARG A 119 28.070 14.610 18.879 1.00 20.45 O ATOM 1835 CB ARG A 119 26.708 11.960 17.491 1.00 19.33 C ATOM 1836 CG ARG A 119 26.593 10.430 17.424 1.00 18.80 C ATOM 1837 CD ARG A 119 25.297 9.983 16.743 1.00 22.11 C ATOM 1838 NE ARG A 119 25.116 8.529 16.849 1.00 23.33 N ATOM 1839 CZ ARG A 119 24.598 7.713 15.914 1.00 23.17 C ATOM 1840 NH1 ARG A 119 24.247 8.162 14.701 1.00 23.82 N ATOM 1841 NH2 ARG A 119 24.420 6.419 16.206 1.00 24.83 N1+ ATOM 1842 H ARG A 119 27.842 12.004 19.853 1.00 0.00 H ATOM 1843 HA ARG A 119 28.822 12.106 17.028 1.00 0.00 H ATOM 1844 HB3 ARG A 119 26.400 12.372 16.529 1.00 0.00 H ATOM 1845 HB2 ARG A 119 25.997 12.345 18.224 1.00 0.00 H ATOM 1846 HG3 ARG A 119 26.657 10.008 18.428 1.00 0.00 H ATOM 1847 HG2 ARG A 119 27.439 10.026 16.865 1.00 0.00 H ATOM 1848 HD3 ARG A 119 25.315 10.295 15.699 1.00 0.00 H ATOM 1849 HD2 ARG A 119 24.440 10.471 17.203 1.00 0.00 H ATOM 1850 HE ARG A 119 25.353 8.128 17.746 1.00 0.00 H ATOM 1851 HH12 ARG A 119 23.863 7.535 14.009 1.00 0.00 H ATOM 1852 HH11 ARG A 119 24.377 9.135 14.468 1.00 0.00 H ATOM 1853 HH22 ARG A 119 24.045 5.783 15.517 1.00 0.00 H ATOM 1854 HH21 ARG A 119 24.619 6.072 17.135 1.00 0.00 H ATOM 1855 N ASP A 120 28.117 14.577 16.615 1.00 23.19 N ATOM 1856 CA ASP A 120 27.950 16.010 16.393 1.00 24.11 C ATOM 1857 C ASP A 120 26.457 16.362 16.548 1.00 23.39 C ATOM 1858 O ASP A 120 25.640 16.065 15.675 1.00 23.93 O ATOM 1859 CB ASP A 120 28.480 16.348 14.975 1.00 25.95 C ATOM 1860 CG ASP A 120 28.526 17.842 14.623 1.00 28.26 C ATOM 1861 OD1 ASP A 120 28.106 18.672 15.459 1.00 29.21 O ATOM 1862 OD2 ASP A 120 29.030 18.145 13.521 1.00 30.36 O1- ATOM 1863 H ASP A 120 28.158 13.992 15.793 1.00 0.00 H ATOM 1864 HA ASP A 120 28.542 16.557 17.131 1.00 0.00 H ATOM 1865 HB3 ASP A 120 27.892 15.835 14.213 1.00 0.00 H ATOM 1866 HB2 ASP A 120 29.497 15.967 14.876 1.00 0.00 H ATOM 1867 N VAL A 121 26.127 16.984 17.689 1.00 22.04 N ATOM 1868 CA VAL A 121 24.781 17.396 18.089 1.00 21.67 C ATOM 1869 C VAL A 121 24.558 18.909 17.886 1.00 22.27 C ATOM 1870 O VAL A 121 23.496 19.412 18.251 1.00 19.59 O ATOM 1871 CB VAL A 121 24.543 16.997 19.575 1.00 21.39 C ATOM 1872 CG1 VAL A 121 24.431 15.472 19.742 1.00 18.65 C ATOM 1873 CG2 VAL A 121 25.588 17.565 20.558 1.00 20.88 C ATOM 1874 H VAL A 121 26.868 17.162 18.351 1.00 0.00 H ATOM 1875 HA VAL A 121 24.037 16.890 17.473 1.00 0.00 H ATOM 1876 HB VAL A 121 23.575 17.397 19.878 1.00 0.00 H ATOM 1877 HG11 VAL A 121 24.169 15.208 20.767 1.00 0.00 H ATOM 1878 HG12 VAL A 121 23.661 15.057 19.093 1.00 0.00 H ATOM 1879 HG13 VAL A 121 25.368 14.971 19.502 1.00 0.00 H ATOM 1880 HG21 VAL A 121 25.299 17.355 21.587 1.00 0.00 H ATOM 1881 HG22 VAL A 121 26.572 17.122 20.399 1.00 0.00 H ATOM 1882 HG23 VAL A 121 25.693 18.645 20.468 1.00 0.00 H ATOM 1883 N ARG A 122 25.518 19.638 17.282 1.00 23.96 N ATOM 1884 CA ARG A 122 25.437 21.081 17.018 1.00 25.30 C ATOM 1885 C ARG A 122 24.250 21.448 16.111 1.00 24.05 C ATOM 1886 O ARG A 122 23.610 22.471 16.343 1.00 23.24 O ATOM 1887 CB ARG A 122 26.748 21.574 16.371 1.00 28.86 C ATOM 1888 CG ARG A 122 27.989 21.442 17.272 1.00 35.77 C ATOM 1889 CD ARG A 122 29.272 21.939 16.586 1.00 43.07 C ATOM 1890 NE ARG A 122 29.688 21.025 15.514 1.00 47.99 N ATOM 1891 CZ ARG A 122 30.753 21.166 14.709 1.00 50.26 C ATOM 1892 NH1 ARG A 122 31.591 22.205 14.836 1.00 52.73 N ATOM 1893 NH2 ARG A 122 30.976 20.249 13.760 1.00 50.90 N1+ ATOM 1894 H ARG A 122 26.353 19.160 16.970 1.00 0.00 H ATOM 1895 HA ARG A 122 25.300 21.591 17.973 1.00 0.00 H ATOM 1896 HB3 ARG A 122 26.643 22.622 16.092 1.00 0.00 H ATOM 1897 HB2 ARG A 122 26.913 21.038 15.436 1.00 0.00 H ATOM 1898 HG3 ARG A 122 28.124 20.406 17.587 1.00 0.00 H ATOM 1899 HG2 ARG A 122 27.832 22.014 18.188 1.00 0.00 H ATOM 1900 HD3 ARG A 122 30.080 21.996 17.317 1.00 0.00 H ATOM 1901 HD2 ARG A 122 29.131 22.942 16.183 1.00 0.00 H ATOM 1902 HE ARG A 122 29.104 20.198 15.394 1.00 0.00 H ATOM 1903 HH12 ARG A 122 32.389 22.301 14.226 1.00 0.00 H ATOM 1904 HH11 ARG A 122 31.423 22.901 15.548 1.00 0.00 H ATOM 1905 HH22 ARG A 122 31.769 20.322 13.140 1.00 0.00 H ATOM 1906 HH21 ARG A 122 30.325 19.473 13.645 1.00 0.00 H ATOM 1907 N GLN A 123 23.944 20.580 15.130 1.00 23.32 N ATOM 1908 CA GLN A 123 22.851 20.632 14.153 1.00 24.43 C ATOM 1909 C GLN A 123 21.448 20.953 14.706 1.00 23.20 C ATOM 1910 O GLN A 123 20.643 21.554 13.994 1.00 24.45 O ATOM 1911 CB GLN A 123 22.853 19.316 13.343 1.00 27.58 C ATOM 1912 CG GLN A 123 22.582 18.044 14.183 1.00 32.13 C ATOM 1913 CD GLN A 123 22.506 16.778 13.329 1.00 34.28 C ATOM 1914 OE1 GLN A 123 21.756 16.722 12.357 1.00 36.06 O ATOM 1915 NE2 GLN A 123 23.273 15.749 13.695 1.00 36.86 N ATOM 1916 H GLN A 123 24.547 19.772 15.056 1.00 0.00 H ATOM 1917 HA GLN A 123 23.101 21.440 13.465 1.00 0.00 H ATOM 1918 HB3 GLN A 123 23.812 19.211 12.834 1.00 0.00 H ATOM 1919 HB2 GLN A 123 22.108 19.393 12.549 1.00 0.00 H ATOM 1920 HG3 GLN A 123 21.630 18.126 14.707 1.00 0.00 H ATOM 1921 HG2 GLN A 123 23.347 17.924 14.951 1.00 0.00 H ATOM 1922 HE22 GLN A 123 23.248 14.896 13.156 1.00 0.00 H ATOM 1923 HE21 GLN A 123 23.904 15.838 14.481 1.00 0.00 H ATOM 1924 N TYR A 124 21.156 20.563 15.959 1.00 21.23 N ATOM 1925 CA TYR A 124 19.845 20.716 16.594 1.00 19.51 C ATOM 1926 C TYR A 124 19.624 22.125 17.189 1.00 18.45 C ATOM 1927 O TYR A 124 18.519 22.406 17.653 1.00 18.64 O ATOM 1928 CB TYR A 124 19.717 19.669 17.723 1.00 17.44 C ATOM 1929 CG TYR A 124 19.848 18.226 17.265 1.00 18.91 C ATOM 1930 CD1 TYR A 124 18.903 17.667 16.378 1.00 19.73 C ATOM 1931 CD2 TYR A 124 20.930 17.439 17.708 1.00 18.51 C ATOM 1932 CE1 TYR A 124 19.056 16.342 15.922 1.00 20.36 C ATOM 1933 CE2 TYR A 124 21.094 16.125 17.238 1.00 17.89 C ATOM 1934 CZ TYR A 124 20.154 15.571 16.350 1.00 18.99 C ATOM 1935 OH TYR A 124 20.313 14.289 15.908 1.00 21.03 O ATOM 1936 H TYR A 124 21.873 20.089 16.491 1.00 0.00 H ATOM 1937 HA TYR A 124 19.065 20.531 15.856 1.00 0.00 H ATOM 1938 HB3 TYR A 124 18.731 19.752 18.175 1.00 0.00 H ATOM 1939 HB2 TYR A 124 20.440 19.869 18.517 1.00 0.00 H ATOM 1940 HD1 TYR A 124 18.066 18.256 16.034 1.00 0.00 H ATOM 1941 HD2 TYR A 124 21.639 17.839 18.414 1.00 0.00 H ATOM 1942 HE1 TYR A 124 18.337 15.924 15.234 1.00 0.00 H ATOM 1943 HE2 TYR A 124 21.936 15.538 17.572 1.00 0.00 H ATOM 1944 HH TYR A 124 21.122 13.902 16.205 1.00 0.00 H ATOM 1945 N VAL A 125 20.637 23.012 17.141 1.00 17.20 N ATOM 1946 CA VAL A 125 20.634 24.369 17.701 1.00 17.84 C ATOM 1947 C VAL A 125 21.160 25.453 16.737 1.00 18.95 C ATOM 1948 O VAL A 125 21.126 26.629 17.102 1.00 18.03 O ATOM 1949 CB VAL A 125 21.304 24.404 19.105 1.00 16.05 C ATOM 1950 CG1 VAL A 125 20.456 23.723 20.189 1.00 16.49 C ATOM 1951 CG2 VAL A 125 22.740 23.851 19.114 1.00 18.85 C ATOM 1952 H VAL A 125 21.510 22.695 16.741 1.00 0.00 H ATOM 1953 HA VAL A 125 19.595 24.668 17.848 1.00 0.00 H ATOM 1954 HB VAL A 125 21.380 25.447 19.407 1.00 0.00 H ATOM 1955 HG11 VAL A 125 20.940 23.805 21.163 1.00 0.00 H ATOM 1956 HG12 VAL A 125 19.475 24.191 20.269 1.00 0.00 H ATOM 1957 HG13 VAL A 125 20.310 22.663 19.986 1.00 0.00 H ATOM 1958 HG21 VAL A 125 23.210 24.010 20.084 1.00 0.00 H ATOM 1959 HG22 VAL A 125 22.759 22.779 18.914 1.00 0.00 H ATOM 1960 HG23 VAL A 125 23.363 24.346 18.369 1.00 0.00 H ATOM 1961 N GLN A 126 21.611 25.103 15.515 1.00 20.55 N ATOM 1962 CA GLN A 126 22.128 26.072 14.538 1.00 24.39 C ATOM 1963 C GLN A 126 20.988 26.878 13.897 1.00 22.51 C ATOM 1964 O GLN A 126 19.963 26.318 13.506 1.00 23.22 O ATOM 1965 CB GLN A 126 22.898 25.356 13.399 1.00 29.18 C ATOM 1966 CG GLN A 126 24.185 24.618 13.814 1.00 37.10 C ATOM 1967 CD GLN A 126 25.120 25.444 14.702 1.00 41.33 C ATOM 1968 OE1 GLN A 126 25.642 26.470 14.274 1.00 44.88 O ATOM 1969 NE2 GLN A 126 25.324 25.008 15.946 1.00 42.36 N ATOM 1970 H GLN A 126 21.615 24.127 15.256 1.00 0.00 H ATOM 1971 HA GLN A 126 22.790 26.773 15.051 1.00 0.00 H ATOM 1972 HB3 GLN A 126 23.171 26.091 12.639 1.00 0.00 H ATOM 1973 HB2 GLN A 126 22.238 24.646 12.895 1.00 0.00 H ATOM 1974 HG3 GLN A 126 24.737 24.329 12.920 1.00 0.00 H ATOM 1975 HG2 GLN A 126 23.922 23.685 14.298 1.00 0.00 H ATOM 1976 HE22 GLN A 126 25.922 25.534 16.567 1.00 0.00 H ATOM 1977 HE21 GLN A 126 24.855 24.173 16.270 1.00 0.00 H ATOM 1978 N GLY A 127 21.196 28.199 13.788 1.00 20.80 N ATOM 1979 CA GLY A 127 20.269 29.163 13.197 1.00 18.98 C ATOM 1980 C GLY A 127 19.123 29.611 14.116 1.00 18.67 C ATOM 1981 O GLY A 127 18.266 30.372 13.669 1.00 17.80 O ATOM 1982 H GLY A 127 22.072 28.567 14.131 1.00 0.00 H ATOM 1983 HA3 GLY A 127 19.846 28.754 12.278 1.00 0.00 H ATOM 1984 HA2 GLY A 127 20.839 30.047 12.908 1.00 0.00 H ATOM 1985 N CYS A 128 19.089 29.143 15.375 1.00 16.85 N ATOM 1986 CA CYS A 128 17.997 29.382 16.321 1.00 17.63 C ATOM 1987 C CYS A 128 18.226 30.605 17.229 1.00 18.50 C ATOM 1988 O CYS A 128 17.314 30.975 17.970 1.00 18.97 O ATOM 1989 CB CYS A 128 17.854 28.137 17.216 1.00 17.55 C ATOM 1990 SG CYS A 128 17.537 26.572 16.351 1.00 14.57 S ATOM 1991 H CYS A 128 19.825 28.516 15.669 1.00 0.00 H ATOM 1992 HA CYS A 128 17.063 29.551 15.784 1.00 0.00 H ATOM 1993 HB3 CYS A 128 17.038 28.280 17.925 1.00 0.00 H ATOM 1994 HB2 CYS A 128 18.752 27.995 17.815 1.00 0.00 H ATOM 1995 N GLY A 129 19.410 31.242 17.168 1.00 20.15 N ATOM 1996 CA GLY A 129 19.759 32.438 17.938 1.00 21.76 C ATOM 1997 C GLY A 129 20.084 32.177 19.417 1.00 23.78 C ATOM 1998 O GLY A 129 20.043 33.109 20.219 1.00 23.94 O ATOM 1999 H GLY A 129 20.105 30.887 16.528 1.00 0.00 H ATOM 2000 HA3 GLY A 129 18.951 33.169 17.870 1.00 0.00 H ATOM 2001 HA2 GLY A 129 20.632 32.898 17.474 1.00 0.00 H ATOM 2002 N VAL A 130 20.367 30.916 19.776 1.00 23.46 N ATOM 2003 CA VAL A 130 20.655 30.447 21.130 1.00 25.81 C ATOM 2004 C VAL A 130 22.174 30.347 21.363 1.00 26.37 C ATOM 2005 O VAL A 130 22.913 30.099 20.384 1.00 28.06 O ATOM 2006 CB VAL A 130 19.985 29.063 21.339 1.00 25.76 C ATOM 2007 CG1 VAL A 130 18.454 29.181 21.301 1.00 24.98 C ATOM 2008 CG2 VAL A 130 20.469 27.960 20.374 1.00 25.79 C ATOM 2009 OXT VAL A 130 22.566 30.522 22.537 1.00 29.05 O1- ATOM 2010 H VAL A 130 20.405 30.219 19.047 1.00 0.00 H ATOM 2011 HA VAL A 130 20.243 31.145 21.860 1.00 0.00 H ATOM 2012 HB VAL A 130 20.241 28.729 22.344 1.00 0.00 H ATOM 2013 HG11 VAL A 130 17.992 28.225 21.531 1.00 0.00 H ATOM 2014 HG12 VAL A 130 18.097 29.901 22.036 1.00 0.00 H ATOM 2015 HG13 VAL A 130 18.092 29.491 20.321 1.00 0.00 H ATOM 2016 HG21 VAL A 130 19.898 27.041 20.510 1.00 0.00 H ATOM 2017 HG22 VAL A 130 20.368 28.258 19.332 1.00 0.00 H ATOM 2018 HG23 VAL A 130 21.517 27.710 20.541 1.00 0.00 H CONECT 105 1990 CONECT 490 1795 CONECT 1038 1245 CONECT 1188 1434 CONECT 1245 1038 CONECT 1434 1188 CONECT 1795 490 CONECT 1990 105 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand. |