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*** HYDROLASE 01-APR-22 7XF6 ***elNémo ID: 2407241129291088889Job options:ID = 2407241129291088889 JOBID = HYDROLASE 01-APR-22 7XF6 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 01-APR-22 7XF6 REMARK 4 7XF6 COMPLIES WITH FORMAT V. 3.30, REMARK 888 REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) TITLE CRYSTAL STRUCTURE OF HUMAN LYSOZYME EXPDTA X-RAY DIFFRACTION REMARK 2 RESOLUTION. 1.30 ANGSTROMS REMARK 3 R VALUE : 0.151000 REMARK 3 FREE R VALUE : 0.171000 REMARK 200 TEMPERATURE (KELVIN) : 100.00 REMARK 200 PH : NULL 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 33.035 56.062 61.063 90.00 90.00 90.00 P 21 21 21 4 HET ACT A 201 7 HETNAM ACT ACETATE ION FORMUL 1 ACT C2 H3 O2 1- MODEL 1 ATOM 1 N LYS A 19 -10.510 -1.049 10.890 1.00 10.27 N1+ ATOM 2 CA LYS A 19 -11.740 -1.411 10.172 1.00 10.95 C ATOM 3 C LYS A 19 -12.289 -2.681 10.789 1.00 9.75 C ATOM 4 O LYS A 19 -11.543 -3.471 11.379 1.00 10.02 O ATOM 5 CB LYS A 19 -11.416 -1.633 8.682 1.00 11.54 C ATOM 6 CG LYS A 19 -10.508 -2.803 8.390 1.00 11.02 C ATOM 7 CD LYS A 19 -10.548 -3.159 6.875 1.00 14.03 C ATOM 8 CE LYS A 19 -11.774 -3.937 6.508 1.00 13.31 C ATOM 9 NZ LYS A 19 -12.006 -4.014 5.059 1.00 14.37 N1+ ATOM 10 HA LYS A 19 -12.409 -0.711 10.227 1.00 13.14 H ATOM 11 HB2 LYS A 19 -12.247 -1.785 8.207 1.00 13.84 H ATOM 12 HB3 LYS A 19 -10.980 -0.835 8.342 1.00 13.84 H ATOM 13 HG2 LYS A 19 -9.596 -2.576 8.630 1.00 13.22 H ATOM 14 HG3 LYS A 19 -10.801 -3.577 8.897 1.00 13.22 H ATOM 15 HD2 LYS A 19 -10.544 -2.339 6.355 1.00 16.84 H ATOM 16 HD3 LYS A 19 -9.772 -3.696 6.653 1.00 16.84 H ATOM 17 HE2 LYS A 19 -11.682 -4.843 6.843 1.00 15.98 H ATOM 18 HE3 LYS A 19 -12.548 -3.511 6.910 1.00 15.98 H ATOM 19 HZ1 LYS A 19 -12.449 -4.760 4.861 1.00 17.25 H ATOM 20 HZ2 LYS A 19 -12.483 -3.313 4.790 1.00 17.25 H ATOM 21 HZ3 LYS A 19 -11.228 -4.017 4.627 1.00 17.25 H ATOM 22 H1 LYS A 19 -10.125 -0.203 10.495 1.00 0.00 H ATOM 23 H2 LYS A 19 -10.721 -0.898 11.866 1.00 0.00 H ATOM 24 H3 LYS A 19 -9.837 -1.797 10.804 1.00 0.00 H ATOM 25 N VAL A 20 -13.601 -2.864 10.631 1.00 9.28 N ATOM 26 CA VAL A 20 -14.282 -4.109 10.960 1.00 10.27 C ATOM 27 C VAL A 20 -14.505 -4.864 9.669 1.00 10.05 C ATOM 28 O VAL A 20 -15.272 -4.424 8.821 1.00 10.27 O ATOM 29 CB VAL A 20 -15.599 -3.849 11.698 1.00 11.16 C ATOM 30 CG1 VAL A 20 -16.287 -5.142 12.041 1.00 11.81 C ATOM 31 CG2 VAL A 20 -15.244 -3.106 13.004 1.00 13.16 C ATOM 32 H VAL A 20 -14.132 -2.260 10.325 1.00 11.14 H ATOM 33 HA VAL A 20 -13.713 -4.648 11.531 1.00 12.33 H ATOM 34 HB VAL A 20 -16.202 -3.330 11.142 1.00 13.40 H ATOM 35 HG11 VAL A 20 -17.041 -4.954 12.621 1.00 14.18 H ATOM 36 HG12 VAL A 20 -16.595 -5.562 11.223 1.00 14.18 H ATOM 37 HG13 VAL A 20 -15.657 -5.723 12.495 1.00 14.18 H ATOM 38 HG21 VAL A 20 -16.057 -2.951 13.510 1.00 15.80 H ATOM 39 HG22 VAL A 20 -14.632 -3.653 13.521 1.00 15.80 H ATOM 40 HG23 VAL A 20 -14.825 -2.260 12.782 1.00 15.80 H ATOM 41 N PHE A 21 -13.803 -5.989 9.496 1.00 10.00 N ATOM 42 CA PHE A 21 -14.026 -6.798 8.284 1.00 9.20 C ATOM 43 C PHE A 21 -15.383 -7.484 8.352 1.00 8.58 C ATOM 44 O PHE A 21 -15.832 -7.904 9.410 1.00 10.43 O ATOM 45 CB PHE A 21 -13.013 -7.959 8.207 1.00 10.08 C ATOM 46 CG PHE A 21 -11.666 -7.548 7.672 1.00 8.38 C ATOM 47 CD1 PHE A 21 -10.733 -6.969 8.496 1.00 8.92 C ATOM 48 CD2 PHE A 21 -11.343 -7.732 6.318 1.00 10.07 C ATOM 49 CE1 PHE A 21 -9.505 -6.567 8.025 1.00 9.52 C ATOM 50 CE2 PHE A 21 -10.102 -7.373 5.845 1.00 10.00 C ATOM 51 CZ PHE A 21 -9.175 -6.821 6.684 1.00 11.80 C ATOM 52 H PHE A 21 -13.215 -6.298 10.042 1.00 12.00 H ATOM 53 HA PHE A 21 -13.949 -6.208 7.517 1.00 11.04 H ATOM 54 HB2 PHE A 21 -12.881 -8.318 9.098 1.00 12.10 H ATOM 55 HB3 PHE A 21 -13.368 -8.645 7.621 1.00 12.10 H ATOM 56 HD1 PHE A 21 -10.937 -6.846 9.395 1.00 10.70 H ATOM 57 HD2 PHE A 21 -11.971 -8.099 5.738 1.00 12.09 H ATOM 58 HE1 PHE A 21 -8.903 -6.133 8.585 1.00 11.42 H ATOM 59 HE2 PHE A 21 -9.892 -7.506 4.948 1.00 12.00 H ATOM 60 HZ PHE A 21 -8.326 -6.613 6.367 1.00 14.16 H ATOM 61 N GLU A 22 -15.991 -7.640 7.188 1.00 9.98 N ATOM 62 CA GLU A 22 -17.036 -8.631 6.958 1.00 10.99 C ATOM 63 C GLU A 22 -16.393 -10.016 6.895 1.00 10.37 C ATOM 64 O GLU A 22 -15.286 -10.186 6.385 1.00 10.91 O ATOM 65 CB GLU A 22 -17.841 -8.321 5.656 1.00 13.49 C ATOM 66 CG GLU A 22 -19.016 -9.367 5.405 1.00 25.96 C ATOM 67 CD GLU A 22 -18.775 -10.593 4.405 1.00 19.10 C ATOM 68 OE1 GLU A 22 -17.867 -10.230 3.365 1.00 14.40 O ATOM 69 OE2 GLU A 22 -19.458 -11.799 4.691 1.00 16.01 O1- ATOM 70 H GLU A 22 -15.813 -7.171 6.490 1.00 11.98 H ATOM 71 HA GLU A 22 -17.684 -8.616 7.680 1.00 13.19 H ATOM 72 HB2 GLU A 22 -18.234 -7.438 5.730 1.00 16.19 H ATOM 73 HB3 GLU A 22 -17.239 -8.355 4.896 1.00 16.19 H ATOM 74 HG2 GLU A 22 -19.245 -9.758 6.262 1.00 31.16 H ATOM 75 HG3 GLU A 22 -19.773 -8.874 5.052 1.00 31.16 H ATOM 76 N ARG A 23 -17.128 -11.027 7.330 1.00 9.96 N ATOM 77 CA ARG A 23 -16.603 -12.385 7.485 1.00 9.81 C ATOM 78 C ARG A 23 -15.907 -12.894 6.234 1.00 8.57 C ATOM 79 O ARG A 23 -14.751 -13.297 6.262 1.00 9.05 O ATOM 80 CB ARG A 23 -17.798 -13.305 7.820 1.00 10.50 C ATOM 81 CG ARG A 23 -17.466 -14.751 8.034 1.00 9.40 C ATOM 82 CD ARG A 23 -18.662 -15.538 8.398 1.00 10.25 C ATOM 83 NE ARG A 23 -19.712 -15.643 7.411 1.00 12.06 N ATOM 84 CZ ARG A 23 -19.812 -16.555 6.444 1.00 10.26 C ATOM 85 NH1 ARG A 23 -18.913 -17.515 6.317 1.00 11.28 N ATOM 86 NH2 ARG A 23 -20.840 -16.572 5.629 1.00 13.53 N1+ ATOM 87 H ARG A 23 -17.956 -10.957 7.551 1.00 11.96 H ATOM 88 HA ARG A 23 -15.945 -12.388 8.198 1.00 11.77 H ATOM 89 HB2 ARG A 23 -18.213 -12.981 8.635 1.00 12.60 H ATOM 90 HB3 ARG A 23 -18.431 -13.260 7.086 1.00 12.60 H ATOM 91 HG2 ARG A 23 -17.098 -15.119 7.216 1.00 11.28 H ATOM 92 HG3 ARG A 23 -16.821 -14.828 8.753 1.00 11.28 H ATOM 93 HD2 ARG A 23 -18.375 -16.443 8.598 1.00 12.30 H ATOM 94 HD3 ARG A 23 -19.058 -15.134 9.186 1.00 12.30 H ATOM 95 HE ARG A 23 -20.338 -15.054 7.451 1.00 14.48 H ATOM 96 HH11 ARG A 23 -18.250 -17.558 6.863 1.00 13.54 H ATOM 97 HH12 ARG A 23 -18.991 -18.097 5.688 1.00 13.54 H ATOM 98 HH21 ARG A 23 -21.465 -15.988 5.713 1.00 16.24 H ATOM 99 HH22 ARG A 23 -20.889 -17.168 5.011 1.00 16.24 H ATOM 100 N CYS A 24 -16.632 -12.964 5.114 1.00 8.99 N ATOM 101 CA CYS A 24 -16.030 -13.598 3.934 1.00 9.28 C ATOM 102 C CYS A 24 -14.930 -12.762 3.304 1.00 10.27 C ATOM 103 O CYS A 24 -13.974 -13.352 2.784 1.00 9.24 O ATOM 104 CB CYS A 24 -17.091 -13.949 2.902 1.00 9.17 C ATOM 105 SG CYS A 24 -18.115 -15.407 3.382 1.00 10.48 S ATOM 106 H CYS A 24 -17.433 -12.667 5.014 1.00 10.79 H ATOM 107 HA CYS A 24 -15.624 -14.426 4.232 1.00 11.13 H ATOM 108 HB2 CYS A 24 -17.684 -13.191 2.791 1.00 11.00 H ATOM 109 HB3 CYS A 24 -16.654 -14.155 2.061 1.00 11.00 H ATOM 110 N GLU A 25 -15.020 -11.440 3.346 1.00 10.69 N ATOM 111 CA GLU A 25 -13.912 -10.593 2.907 1.00 10.93 C ATOM 112 C GLU A 25 -12.684 -10.918 3.734 1.00 9.14 C ATOM 113 O GLU A 25 -11.599 -11.042 3.171 1.00 9.21 O ATOM 114 CB GLU A 25 -14.243 -9.128 2.984 1.00 15.64 C ATOM 115 CG GLU A 25 -13.163 -8.203 2.278 1.00 16.72 C ATOM 116 CD GLU A 25 -12.620 -8.703 0.897 1.00 26.70 C ATOM 117 OE1 GLU A 25 -13.426 -9.144 0.024 1.00 24.72 O ATOM 118 OE2 GLU A 25 -11.367 -8.552 0.611 1.00 26.66 O1- ATOM 119 H GLU A 25 -15.708 -11.005 3.623 1.00 12.83 H ATOM 120 HA GLU A 25 -13.738 -10.765 1.968 1.00 13.12 H ATOM 121 HB2 GLU A 25 -15.096 -8.975 2.550 1.00 18.77 H ATOM 122 HB3 GLU A 25 -14.294 -8.867 3.917 1.00 18.77 H ATOM 123 HG2 GLU A 25 -13.562 -7.332 2.129 1.00 20.07 H ATOM 124 HG3 GLU A 25 -12.400 -8.122 2.872 1.00 20.07 H ATOM 125 N LEU A 26 -12.808 -11.084 5.049 1.00 8.63 N ATOM 126 CA LEU A 26 -11.620 -11.418 5.833 1.00 8.42 C ATOM 127 C LEU A 26 -11.074 -12.779 5.437 1.00 8.46 C ATOM 128 O LEU A 26 -9.865 -12.963 5.330 1.00 8.37 O ATOM 129 CB LEU A 26 -11.965 -11.442 7.320 1.00 8.24 C ATOM 130 CG LEU A 26 -10.761 -11.810 8.215 1.00 8.89 C ATOM 131 CD1 LEU A 26 -9.616 -10.859 8.104 1.00 8.85 C ATOM 132 CD2 LEU A 26 -11.312 -11.878 9.662 1.00 9.25 C ATOM 133 H LEU A 26 -13.539 -11.013 5.495 1.00 10.36 H ATOM 134 HA LEU A 26 -10.946 -10.739 5.673 1.00 10.11 H ATOM 135 HB2 LEU A 26 -12.276 -10.562 7.584 1.00 9.89 H ATOM 136 HB3 LEU A 26 -12.661 -12.100 7.470 1.00 9.89 H ATOM 137 HG LEU A 26 -10.379 -12.657 7.937 1.00 10.67 H ATOM 138 HD11 LEU A 26 -8.918 -11.131 8.719 1.00 10.62 H ATOM 139 HD12 LEU A 26 -9.280 -10.874 7.194 1.00 10.62 H ATOM 140 HD13 LEU A 26 -9.924 -9.966 8.327 1.00 10.62 H ATOM 141 HD21 LEU A 26 -10.590 -12.118 10.264 1.00 11.10 H ATOM 142 HD22 LEU A 26 -11.671 -11.011 9.905 1.00 11.10 H ATOM 143 HD23 LEU A 26 -12.012 -12.549 9.702 1.00 11.10 H ATOM 144 N ALA A 27 -11.956 -13.772 5.236 1.00 8.04 N ATOM 145 CA ALA A 27 -11.480 -15.097 4.862 1.00 8.57 C ATOM 146 C ALA A 27 -10.617 -15.058 3.596 1.00 8.88 C ATOM 147 O ALA A 27 -9.526 -15.634 3.548 1.00 9.38 O ATOM 148 CB ALA A 27 -12.675 -16.033 4.699 1.00 10.11 C ATOM 149 H ALA A 27 -12.809 -13.699 5.310 1.00 9.65 H ATOM 150 HA ALA A 27 -10.916 -15.443 5.571 1.00 10.29 H ATOM 151 HB1 ALA A 27 -12.356 -16.908 4.430 1.00 12.13 H ATOM 152 HB2 ALA A 27 -13.144 -16.097 5.545 1.00 12.13 H ATOM 153 HB3 ALA A 27 -13.267 -15.674 4.019 1.00 12.13 H ATOM 154 N ARG A 28 -11.077 -14.335 2.582 1.00 9.04 N ATOM 155 CA ARG A 28 -10.301 -14.237 1.340 1.00 9.00 C ATOM 156 C ARG A 28 -9.054 -13.413 1.527 1.00 9.44 C ATOM 157 O ARG A 28 -8.026 -13.724 0.940 1.00 10.00 O ATOM 158 CB ARG A 28 -11.140 -13.617 0.226 1.00 11.56 C ATOM 159 CG ARG A 28 -12.302 -14.536 -0.251 1.00 11.63 C ATOM 160 CD ARG A 28 -13.049 -13.934 -1.456 1.00 12.19 C ATOM 161 NE ARG A 28 -13.743 -12.762 -1.105 1.00 12.29 N ATOM 162 CZ ARG A 28 -15.003 -12.667 -0.631 1.00 12.76 C ATOM 163 NH1 ARG A 28 -15.686 -13.765 -0.452 1.00 10.91 N ATOM 164 NH2 ARG A 28 -15.515 -11.479 -0.320 1.00 11.93 N1+ ATOM 165 H ARG A 28 -11.818 -13.898 2.582 1.00 10.85 H ATOM 166 HA ARG A 28 -10.053 -15.136 1.074 1.00 10.80 H ATOM 167 HB2 ARG A 28 -11.529 -12.789 0.550 1.00 13.88 H ATOM 168 HB3 ARG A 28 -10.568 -13.439 -0.536 1.00 13.88 H ATOM 169 HG2 ARG A 28 -11.941 -15.396 -0.517 1.00 13.96 H ATOM 170 HG3 ARG A 28 -12.936 -14.652 0.473 1.00 13.96 H ATOM 171 HD2 ARG A 28 -12.410 -13.712 -2.151 1.00 14.63 H ATOM 172 HD3 ARG A 28 -13.692 -14.579 -1.790 1.00 14.63 H ATOM 173 HE ARG A 28 -13.315 -12.022 -1.202 1.00 14.75 H ATOM 174 HH11 ARG A 28 -15.331 -14.527 -0.634 1.00 13.10 H ATOM 175 HH12 ARG A 28 -16.491 -13.726 -0.151 1.00 13.10 H ATOM 176 HH21 ARG A 28 -15.042 -10.768 -0.421 1.00 14.32 H ATOM 177 HH22 ARG A 28 -16.318 -11.423 -0.019 1.00 14.32 H ATOM 178 N THR A 29 -9.093 -12.405 2.391 1.00 9.28 N ATOM 179 CA THR A 29 -7.916 -11.597 2.704 1.00 8.95 C ATOM 180 C THR A 29 -6.854 -12.452 3.344 1.00 7.71 C ATOM 181 O THR A 29 -5.658 -12.383 2.999 1.00 9.73 O ATOM 182 CB THR A 29 -8.274 -10.418 3.605 1.00 9.02 C ATOM 183 OG1 THR A 29 -9.252 -9.586 2.963 1.00 11.11 O ATOM 184 CG2 THR A 29 -7.045 -9.596 4.019 1.00 9.94 C ATOM 185 H THR A 29 -9.798 -12.162 2.818 1.00 11.14 H ATOM 186 HA THR A 29 -7.570 -11.224 1.878 1.00 10.75 H ATOM 187 HB THR A 29 -8.652 -10.768 4.427 1.00 10.83 H ATOM 188 HG1 THR A 29 -10.004 -9.960 2.983 1.00 13.34 H ATOM 189 HG21 THR A 29 -7.325 -8.782 4.465 1.00 11.93 H ATOM 190 HG22 THR A 29 -6.490 -10.112 4.625 1.00 11.93 H ATOM 191 HG23 THR A 29 -6.523 -9.363 3.235 1.00 11.93 H ATOM 192 N LEU A 30 -7.263 -13.264 4.315 1.00 8.00 N ATOM 193 CA LEU A 30 -6.312 -14.152 4.969 1.00 9.63 C ATOM 194 C LEU A 30 -5.756 -15.206 3.998 1.00 9.37 C ATOM 195 O LEU A 30 -4.582 -15.565 4.078 1.00 9.24 O ATOM 196 CB LEU A 30 -6.965 -14.881 6.131 1.00 9.38 C ATOM 197 CG LEU A 30 -7.341 -14.002 7.334 1.00 9.49 C ATOM 198 CD1 LEU A 30 -8.212 -14.734 8.265 1.00 10.01 C ATOM 199 CD2 LEU A 30 -6.119 -13.482 8.043 1.00 10.35 C ATOM 200 H LEU A 30 -8.070 -13.318 4.607 1.00 9.60 H ATOM 201 HA LEU A 30 -5.587 -13.598 5.301 1.00 11.56 H ATOM 202 HB2 LEU A 30 -7.781 -15.296 5.810 1.00 11.26 H ATOM 203 HB3 LEU A 30 -6.350 -15.560 6.450 1.00 11.26 H ATOM 204 HG LEU A 30 -7.831 -13.233 7.004 1.00 11.39 H ATOM 205 HD11 LEU A 30 -8.448 -14.149 9.002 1.00 12.02 H ATOM 206 HD12 LEU A 30 -9.014 -15.012 7.794 1.00 12.02 H ATOM 207 HD13 LEU A 30 -7.737 -15.511 8.597 1.00 12.02 H ATOM 208 HD21 LEU A 30 -6.395 -13.024 8.853 1.00 12.42 H ATOM 209 HD22 LEU A 30 -5.541 -14.229 8.266 1.00 12.42 H ATOM 210 HD23 LEU A 30 -5.652 -12.866 7.458 1.00 12.42 H ATOM 211 N LYS A 31 -6.581 -15.751 3.110 1.00 9.81 N ATOM 212 CA LYS A 31 -6.091 -16.747 2.194 1.00 9.17 C ATOM 213 C LYS A 31 -5.057 -16.146 1.237 1.00 10.37 C ATOM 214 O LYS A 31 -4.024 -16.769 1.006 1.00 9.74 O ATOM 215 CB LYS A 31 -7.264 -17.307 1.401 1.00 10.57 C ATOM 216 CG LYS A 31 -6.839 -18.482 0.470 1.00 15.00 C ATOM 217 CD LYS A 31 -7.944 -19.427 0.079 1.00 17.75 C ATOM 218 CE LYS A 31 -7.337 -20.694 -0.610 1.00 20.53 C ATOM 219 NZ LYS A 31 -8.367 -21.239 -1.517 1.00 24.59 N1+ ATOM 220 H LYS A 31 -7.415 -15.559 3.025 1.00 11.78 H ATOM 221 HA LYS A 31 -5.669 -17.465 2.691 1.00 11.01 H ATOM 222 HB2 LYS A 31 -7.936 -17.638 2.018 1.00 12.69 H ATOM 223 HB3 LYS A 31 -7.639 -16.604 0.849 1.00 12.69 H ATOM 224 HG2 LYS A 31 -6.476 -18.108 -0.348 1.00 18.00 H ATOM 225 HG3 LYS A 31 -6.160 -19.004 0.926 1.00 18.00 H ATOM 226 HD2 LYS A 31 -8.432 -19.705 0.869 1.00 21.31 H ATOM 227 HD3 LYS A 31 -8.544 -18.990 -0.545 1.00 21.31 H ATOM 228 HE2 LYS A 31 -6.551 -20.454 -1.124 1.00 24.64 H ATOM 229 HE3 LYS A 31 -7.108 -21.362 0.055 1.00 24.64 H ATOM 230 HZ1 LYS A 31 -9.076 -21.502 -1.049 1.00 29.51 H ATOM 231 HZ2 LYS A 31 -8.620 -20.616 -2.100 1.00 29.51 H ATOM 232 HZ3 LYS A 31 -8.041 -21.936 -1.964 1.00 29.51 H ATOM 233 N ARG A 32 -5.283 -14.946 0.741 1.00 9.68 N ATOM 234 CA ARG A 32 -4.302 -14.338 -0.139 1.00 8.69 C ATOM 235 C ARG A 32 -2.996 -14.079 0.586 1.00 10.00 C ATOM 236 O ARG A 32 -1.926 -14.009 -0.031 1.00 11.20 O ATOM 237 CB ARG A 32 -4.842 -13.005 -0.672 1.00 11.01 C ATOM 238 CG ARG A 32 -5.892 -13.043 -1.742 1.00 10.66 C ATOM 239 CD ARG A 32 -6.203 -11.723 -2.227 1.00 16.16 C ATOM 240 NE ARG A 32 -6.797 -10.784 -1.252 0.52 13.44 N ATOM 241 CZ ARG A 32 -8.092 -10.546 -1.128 0.66 13.55 C ATOM 242 NH1 ARG A 32 -8.545 -9.688 -0.231 0.62 16.10 N ATOM 243 NH2 ARG A 32 -8.955 -11.213 -1.851 1.00 16.78 N1+ ATOM 244 H ARG A 32 -5.982 -14.469 0.895 1.00 11.61 H ATOM 245 HA ARG A 32 -4.138 -14.932 -0.888 1.00 10.43 H ATOM 246 HB2 ARG A 32 -5.226 -12.522 0.076 1.00 13.21 H ATOM 247 HB3 ARG A 32 -4.092 -12.509 -1.037 1.00 13.21 H ATOM 248 HG2 ARG A 32 -5.571 -13.574 -2.488 1.00 12.80 H ATOM 249 HG3 ARG A 32 -6.703 -13.434 -1.381 1.00 12.80 H ATOM 250 HD2 ARG A 32 -5.382 -11.318 -2.547 1.00 19.39 H ATOM 251 HD3 ARG A 32 -6.835 -11.811 -2.957 1.00 19.39 H ATOM 252 HE ARG A 32 -6.262 -10.362 -0.728 1.00 16.13 H ATOM 253 HH11 ARG A 32 -7.995 -9.273 0.284 0.00 19.32 H ATOM 254 HH12 ARG A 32 -9.390 -9.544 -0.162 0.00 19.32 H ATOM 255 HH21 ARG A 32 -8.681 -11.807 -2.409 1.00 20.14 H ATOM 256 HH22 ARG A 32 -9.797 -11.057 -1.769 1.00 20.14 H ATOM 257 N LEU A 33 -3.032 -13.902 1.924 1.00 10.67 N ATOM 258 CA LEU A 33 -1.846 -13.662 2.753 1.00 8.80 C ATOM 259 C LEU A 33 -1.164 -14.964 3.186 1.00 9.68 C ATOM 260 O LEU A 33 -0.212 -14.910 3.957 1.00 11.55 O ATOM 261 CB LEU A 33 -2.221 -12.749 3.943 1.00 9.95 C ATOM 262 CG LEU A 33 -2.488 -11.308 3.569 1.00 9.32 C ATOM 263 CD1 LEU A 33 -3.187 -10.596 4.724 1.00 9.98 C ATOM 264 CD2 LEU A 33 -1.087 -10.618 3.223 1.00 11.94 C ATOM 265 H LEU A 33 -3.759 -13.919 2.383 1.00 12.80 H ATOM 266 HA LEU A 33 -1.177 -13.173 2.248 1.00 10.56 H ATOM 267 HB2 LEU A 33 -3.025 -13.099 4.358 1.00 11.94 H ATOM 268 HB3 LEU A 33 -1.489 -12.757 4.579 1.00 11.94 H ATOM 269 HG LEU A 33 -3.071 -11.244 2.796 1.00 11.18 H ATOM 270 HD11 LEU A 33 -3.352 -9.673 4.474 1.00 11.98 H ATOM 271 HD12 LEU A 33 -4.028 -11.044 4.909 1.00 11.98 H ATOM 272 HD13 LEU A 33 -2.616 -10.629 5.507 1.00 11.98 H ATOM 273 HD21 LEU A 33 -1.230 -9.671 3.070 1.00 14.33 H ATOM 274 HD22 LEU A 33 -0.480 -10.744 3.969 1.00 14.33 H ATOM 275 HD23 LEU A 33 -0.721 -11.030 2.425 1.00 14.33 H ATOM 276 N GLY A 34 -1.579 -16.117 2.697 1.00 10.75 N ATOM 277 CA GLY A 34 -0.875 -17.346 3.010 1.00 12.23 C ATOM 278 C GLY A 34 -1.246 -18.041 4.297 1.00 10.02 C ATOM 279 O GLY A 34 -0.446 -18.820 4.782 1.00 10.96 O ATOM 280 H GLY A 34 -2.261 -16.215 2.183 1.00 12.90 H ATOM 281 HA2 GLY A 34 -1.032 -17.976 2.289 1.00 14.68 H ATOM 282 HA3 GLY A 34 0.073 -17.147 3.055 1.00 14.68 H ATOM 283 N MET A 35 -2.396 -17.720 4.901 1.00 8.76 N ATOM 284 CA MET A 35 -2.759 -18.285 6.199 1.00 9.20 C ATOM 285 C MET A 35 -3.403 -19.653 6.092 1.00 9.55 C ATOM 286 O MET A 35 -3.460 -20.345 7.118 1.00 9.81 O ATOM 287 CB MET A 35 -3.708 -17.323 6.868 1.00 8.96 C ATOM 288 CG MET A 35 -2.891 -16.122 7.368 1.00 10.01 C ATOM 289 SD MET A 35 -1.778 -16.452 8.728 1.00 11.11 S ATOM 290 CE MET A 35 -2.790 -15.845 10.054 1.00 11.68 C ATOM 291 H MET A 35 -2.981 -17.178 4.578 1.00 10.51 H ATOM 292 HA MET A 35 -1.965 -18.386 6.747 1.00 11.04 H ATOM 293 HB2 MET A 35 -4.374 -17.015 6.233 1.00 10.75 H ATOM 294 HB3 MET A 35 -4.142 -17.751 7.622 1.00 10.75 H ATOM 295 HG2 MET A 35 -2.353 -15.791 6.631 1.00 12.02 H ATOM 296 HG3 MET A 35 -3.508 -15.435 7.663 1.00 12.02 H ATOM 297 HE1 MET A 35 -2.342 -16.016 10.897 1.00 14.01 H ATOM 298 HE2 MET A 35 -2.925 -14.891 9.937 1.00 14.01 H ATOM 299 HE3 MET A 35 -3.645 -16.304 10.034 1.00 14.01 H ATOM 300 N ASP A 36 -3.935 -20.064 4.911 1.00 10.62 N ATOM 301 CA ASP A 36 -4.642 -21.336 4.885 1.00 11.73 C ATOM 302 C ASP A 36 -3.665 -22.487 5.035 1.00 10.90 C ATOM 303 O ASP A 36 -2.888 -22.798 4.123 1.00 11.00 O ATOM 304 CB ASP A 36 -5.399 -21.499 3.586 1.00 15.98 C ATOM 305 CG ASP A 36 -6.567 -22.493 3.752 1.00 22.16 C ATOM 306 OD1 ASP A 36 -6.754 -23.185 4.831 1.00 20.36 O ATOM 307 OD2 ASP A 36 -7.357 -22.571 2.769 1.00 26.95 O1- ATOM 308 H ASP A 36 -3.893 -19.637 4.166 1.00 12.75 H ATOM 309 HA ASP A 36 -5.264 -21.342 5.629 1.00 14.08 H ATOM 310 HB2 ASP A 36 -5.761 -20.641 3.313 1.00 19.18 H ATOM 311 HB3 ASP A 36 -4.800 -21.838 2.902 1.00 19.18 H ATOM 312 N GLY A 37 -3.742 -23.146 6.150 1.00 9.62 N ATOM 313 CA GLY A 37 -2.850 -24.272 6.429 1.00 9.26 C ATOM 314 C GLY A 37 -1.479 -23.902 6.919 1.00 9.18 C ATOM 315 O GLY A 37 -0.628 -24.787 7.024 1.00 10.74 O ATOM 316 H GLY A 37 -4.301 -22.973 6.781 1.00 11.54 H ATOM 317 HA2 GLY A 37 -3.262 -24.832 7.105 1.00 11.11 H ATOM 318 HA3 GLY A 37 -2.742 -24.788 5.615 1.00 11.11 H ATOM 319 N TYR A 38 -1.228 -22.626 7.229 1.00 8.87 N ATOM 320 CA TYR A 38 0.083 -22.244 7.743 1.00 9.41 C ATOM 321 C TYR A 38 0.358 -23.018 9.036 1.00 9.20 C ATOM 322 O TYR A 38 -0.407 -22.944 9.996 1.00 9.87 O ATOM 323 CB TYR A 38 0.127 -20.723 7.952 1.00 9.19 C ATOM 324 CG TYR A 38 1.517 -20.313 8.369 1.00 9.60 C ATOM 325 CD1 TYR A 38 2.530 -20.140 7.409 1.00 11.77 C ATOM 326 CD2 TYR A 38 1.856 -20.147 9.702 1.00 8.38 C ATOM 327 CE1 TYR A 38 3.845 -19.850 7.779 1.00 11.72 C ATOM 328 CE2 TYR A 38 3.157 -19.812 10.071 1.00 11.79 C ATOM 329 CZ TYR A 38 4.130 -19.688 9.131 1.00 12.32 C ATOM 330 OH TYR A 38 5.447 -19.404 9.483 1.00 15.03 O ATOM 331 H TYR A 38 -1.789 -21.979 7.152 1.00 10.65 H ATOM 332 HA TYR A 38 0.788 -22.461 7.113 1.00 11.30 H ATOM 333 HB2 TYR A 38 -0.098 -20.271 7.124 1.00 11.03 H ATOM 334 HB3 TYR A 38 -0.497 -20.470 8.650 1.00 11.03 H ATOM 335 HD1 TYR A 38 2.320 -20.220 6.506 1.00 14.13 H ATOM 336 HD2 TYR A 38 1.207 -20.261 10.359 1.00 10.06 H ATOM 337 HE1 TYR A 38 4.513 -19.768 7.138 1.00 14.07 H ATOM 338 HE2 TYR A 38 3.360 -19.672 10.968 1.00 14.15 H ATOM 339 HH TYR A 38 5.948 -19.487 8.815 1.00 18.04 H ATOM 340 N ARG A 39 1.534 -23.721 9.069 1.00 11.21 N ATOM 341 CA ARG A 39 1.884 -24.572 10.211 1.00 11.32 C ATOM 342 C ARG A 39 0.695 -25.409 10.634 1.00 10.79 C ATOM 343 O ARG A 39 0.477 -25.626 11.830 1.00 10.51 O ATOM 344 CB ARG A 39 2.620 -23.810 11.333 1.00 12.37 C ATOM 345 CG ARG A 39 4.030 -23.485 10.732 1.00 16.73 C ATOM 346 CD ARG A 39 4.962 -23.026 11.650 1.00 18.13 C ATOM 347 NE ARG A 39 5.167 -23.882 12.797 1.00 17.88 N ATOM 348 CZ ARG A 39 5.933 -24.960 12.835 1.00 20.33 C ATOM 349 NH1 ARG A 39 6.515 -25.407 11.756 1.00 17.77 N ATOM 350 NH2 ARG A 39 6.113 -25.593 14.013 1.00 19.34 N1+ ATOM 351 H ARG A 39 2.124 -23.711 8.444 1.00 13.45 H ATOM 352 HA ARG A 39 2.560 -25.216 9.947 1.00 13.59 H ATOM 353 HB2 ARG A 39 2.155 -22.988 11.557 1.00 14.84 H ATOM 354 HB3 ARG A 39 2.714 -24.364 12.124 1.00 14.84 H ATOM 355 HG2 ARG A 39 4.389 -24.294 10.333 1.00 20.08 H ATOM 356 HG3 ARG A 39 3.926 -22.799 10.054 1.00 20.08 H ATOM 357 HD2 ARG A 39 5.816 -22.933 11.200 1.00 21.75 H ATOM 358 HD3 ARG A 39 4.666 -22.163 11.981 1.00 21.75 H ATOM 359 HE ARG A 39 4.754 -23.671 13.521 1.00 21.45 H ATOM 360 HH11 ARG A 39 6.404 -25.000 11.007 1.00 21.33 H ATOM 361 HH12 ARG A 39 7.010 -26.109 11.795 1.00 21.33 H ATOM 362 HH21 ARG A 39 5.733 -25.295 14.724 1.00 23.21 H ATOM 363 HH22 ARG A 39 6.609 -26.295 14.052 1.00 23.21 H ATOM 364 N GLY A 40 -0.028 -25.941 9.685 1.00 9.83 N ATOM 365 CA GLY A 40 -1.120 -26.847 9.980 1.00 9.85 C ATOM 366 C GLY A 40 -2.449 -26.275 10.361 1.00 8.86 C ATOM 367 O GLY A 40 -3.356 -27.059 10.649 1.00 9.38 O ATOM 368 H GLY A 40 0.090 -25.795 8.845 1.00 11.79 H ATOM 369 HA2 GLY A 40 -1.268 -27.396 9.194 1.00 11.82 H ATOM 370 HA3 GLY A 40 -0.840 -27.416 10.714 1.00 11.82 H ATOM 371 N ILE A 41 -2.604 -24.953 10.326 1.00 8.10 N ATOM 372 CA ILE A 41 -3.771 -24.233 10.858 1.00 8.47 C ATOM 373 C ILE A 41 -4.690 -23.869 9.719 1.00 6.88 C ATOM 374 O ILE A 41 -4.360 -23.041 8.885 1.00 8.80 O ATOM 375 CB ILE A 41 -3.347 -23.002 11.667 1.00 8.75 C ATOM 376 CG1 ILE A 41 -2.408 -23.389 12.794 1.00 9.42 C ATOM 377 CG2 ILE A 41 -4.566 -22.297 12.158 1.00 11.21 C ATOM 378 CD1 ILE A 41 -1.629 -22.206 13.368 1.00 9.97 C ATOM 379 H ILE A 41 -2.021 -24.422 9.983 1.00 9.73 H ATOM 380 HA ILE A 41 -4.266 -24.832 11.440 1.00 10.17 H ATOM 381 HB ILE A 41 -2.850 -22.394 11.097 1.00 10.51 H ATOM 382 HG12 ILE A 41 -2.927 -23.781 13.513 1.00 11.31 H ATOM 383 HG13 ILE A 41 -1.765 -24.033 12.459 1.00 11.31 H ATOM 384 HG21 ILE A 41 -4.302 -21.613 12.792 1.00 13.45 H ATOM 385 HG22 ILE A 41 -5.022 -21.892 11.404 1.00 13.45 H ATOM 386 HG23 ILE A 41 -5.150 -22.940 12.590 1.00 13.45 H ATOM 387 HD11 ILE A 41 -1.034 -22.527 14.063 1.00 11.96 H ATOM 388 HD12 ILE A 41 -1.114 -21.792 12.658 1.00 11.96 H ATOM 389 HD13 ILE A 41 -2.256 -21.565 13.739 1.00 11.96 H ATOM 390 N SER A 42 -5.871 -24.433 9.688 1.00 8.05 N ATOM 391 CA SER A 42 -6.836 -24.126 8.660 1.00 8.11 C ATOM 392 C SER A 42 -7.304 -22.665 8.724 1.00 9.35 C ATOM 393 O SER A 42 -7.325 -22.017 9.786 1.00 8.68 O ATOM 394 CB SER A 42 -8.043 -25.042 8.760 1.00 9.85 C ATOM 395 OG SER A 42 -8.744 -24.712 9.949 1.00 10.65 O ATOM 396 H SER A 42 -6.147 -25.010 10.262 1.00 9.67 H ATOM 397 HA SER A 42 -6.406 -24.264 7.801 1.00 9.73 H ATOM 398 HB2 SER A 42 -8.620 -24.908 7.992 1.00 11.82 H ATOM 399 HB3 SER A 42 -7.751 -25.966 8.798 1.00 11.82 H ATOM 400 HG SER A 42 -9.490 -25.098 9.959 1.00 12.78 H ATOM 401 N LEU A 43 -7.797 -22.168 7.603 1.00 8.30 N ATOM 402 CA LEU A 43 -8.387 -20.860 7.555 1.00 9.69 C ATOM 403 C LEU A 43 -9.525 -20.720 8.531 1.00 9.06 C ATOM 404 O LEU A 43 -9.665 -19.644 9.140 1.00 9.58 O ATOM 405 CB LEU A 43 -8.849 -20.609 6.118 1.00 12.67 C ATOM 406 CG LEU A 43 -9.108 -19.175 5.779 1.00 16.19 C ATOM 407 CD1 LEU A 43 -7.659 -18.479 5.814 1.00 21.21 C ATOM 408 CD2 LEU A 43 -9.657 -19.166 4.365 1.00 18.92 C ATOM 409 H LEU A 43 -7.800 -22.579 6.848 1.00 9.96 H ATOM 410 HA LEU A 43 -7.733 -20.188 7.803 1.00 11.63 H ATOM 411 HB2 LEU A 43 -8.162 -20.932 5.514 1.00 15.21 H ATOM 412 HB3 LEU A 43 -9.675 -21.097 5.972 1.00 15.21 H ATOM 413 HG LEU A 43 -9.727 -18.717 6.369 1.00 19.44 H ATOM 414 HD11 LEU A 43 -7.705 -17.631 5.345 1.00 25.46 H ATOM 415 HD12 LEU A 43 -7.402 -18.332 6.738 1.00 25.46 H ATOM 416 HD13 LEU A 43 -7.017 -19.062 5.381 1.00 25.46 H ATOM 417 HD21 LEU A 43 -9.986 -18.276 4.160 1.00 22.71 H ATOM 418 HD22 LEU A 43 -8.948 -19.407 3.749 1.00 22.71 H ATOM 419 HD23 LEU A 43 -10.382 -19.808 4.303 1.00 22.71 H ATOM 420 N ALA A 44 -10.368 -21.761 8.690 1.00 8.55 N ATOM 421 CA ALA A 44 -11.493 -21.630 9.609 1.00 9.39 C ATOM 422 C ALA A 44 -11.022 -21.410 11.050 1.00 8.80 C ATOM 423 O ALA A 44 -11.673 -20.691 11.821 1.00 9.44 O ATOM 424 CB ALA A 44 -12.428 -22.836 9.532 1.00 9.98 C ATOM 425 H ALA A 44 -10.306 -22.519 8.290 1.00 10.26 H ATOM 426 HA ALA A 44 -12.009 -20.857 9.333 1.00 11.27 H ATOM 427 HB1 ALA A 44 -13.185 -22.686 10.119 1.00 11.98 H ATOM 428 HB2 ALA A 44 -12.734 -22.940 8.617 1.00 11.98 H ATOM 429 HB3 ALA A 44 -11.944 -23.629 9.811 1.00 11.98 H ATOM 430 N ASN A 45 -9.894 -21.998 11.433 1.00 8.35 N ATOM 431 CA ASN A 45 -9.354 -21.752 12.759 1.00 8.29 C ATOM 432 C ASN A 45 -8.869 -20.305 12.907 1.00 7.29 C ATOM 433 O ASN A 45 -9.081 -19.667 13.955 1.00 8.36 O ATOM 434 CB ASN A 45 -8.225 -22.706 13.051 1.00 9.15 C ATOM 435 CG ASN A 45 -8.703 -23.989 13.589 1.00 7.80 C ATOM 436 OD1 ASN A 45 -9.264 -24.056 14.698 1.00 9.83 O ATOM 437 ND2 ASN A 45 -8.528 -25.026 12.833 1.00 10.16 N ATOM 438 H ASN A 45 -9.429 -22.537 10.950 1.00 10.02 H ATOM 439 HA ASN A 45 -10.058 -21.906 13.407 1.00 9.94 H ATOM 440 HB2 ASN A 45 -7.740 -22.885 12.231 1.00 10.98 H ATOM 441 HB3 ASN A 45 -7.632 -22.306 13.707 1.00 10.98 H ATOM 442 HD21 ASN A 45 -8.789 -25.802 13.099 1.00 12.19 H ATOM 443 HD22 ASN A 45 -8.150 -24.940 12.065 1.00 12.19 H ATOM 444 N TRP A 46 -8.218 -19.738 11.879 1.00 8.38 N ATOM 445 CA TRP A 46 -7.808 -18.340 11.984 1.00 7.43 C ATOM 446 C TRP A 46 -9.017 -17.417 12.042 1.00 8.72 C ATOM 447 O TRP A 46 -8.988 -16.395 12.720 1.00 8.67 O ATOM 448 CB TRP A 46 -6.973 -17.985 10.747 1.00 9.00 C ATOM 449 CG TRP A 46 -5.616 -18.567 10.682 1.00 8.66 C ATOM 450 CD1 TRP A 46 -5.133 -19.458 9.733 1.00 7.66 C ATOM 451 CD2 TRP A 46 -4.524 -18.330 11.571 1.00 8.38 C ATOM 452 NE1 TRP A 46 -3.821 -19.726 9.974 1.00 9.10 N ATOM 453 CE2 TRP A 46 -3.418 -19.048 11.094 1.00 8.80 C ATOM 454 CE3 TRP A 46 -4.362 -17.554 12.720 1.00 9.84 C ATOM 455 CZ2 TRP A 46 -2.146 -18.969 11.689 1.00 9.81 C ATOM 456 CZ3 TRP A 46 -3.105 -17.563 13.331 1.00 9.21 C ATOM 457 CH2 TRP A 46 -2.028 -18.270 12.817 1.00 9.49 C ATOM 458 H TRP A 46 -8.012 -20.129 11.142 1.00 10.06 H ATOM 459 HA TRP A 46 -7.283 -18.219 12.790 1.00 8.92 H ATOM 460 HB2 TRP A 46 -7.452 -18.291 9.961 1.00 10.81 H ATOM 461 HB3 TRP A 46 -6.871 -17.020 10.718 1.00 10.81 H ATOM 462 HD1 TRP A 46 -5.632 -19.818 9.036 1.00 9.19 H ATOM 463 HE1 TRP A 46 -3.323 -20.241 9.498 1.00 10.92 H ATOM 464 HE3 TRP A 46 -5.064 -17.051 13.066 1.00 11.81 H ATOM 465 HZ2 TRP A 46 -1.411 -19.392 11.307 1.00 11.78 H ATOM 466 HZ3 TRP A 46 -2.986 -17.075 14.114 1.00 11.05 H ATOM 467 HH2 TRP A 46 -1.213 -18.256 13.264 1.00 11.39 H ATOM 468 N MET A 47 -10.070 -17.733 11.310 1.00 8.42 N ATOM 469 CA MET A 47 -11.310 -16.948 11.344 1.00 8.29 C ATOM 470 C MET A 47 -11.946 -17.008 12.704 1.00 7.63 C ATOM 471 O MET A 47 -12.350 -15.973 13.236 1.00 9.01 O ATOM 472 CB MET A 47 -12.274 -17.521 10.311 1.00 7.25 C ATOM 473 CG MET A 47 -11.902 -17.179 8.875 1.00 10.01 C ATOM 474 SD MET A 47 -12.007 -15.431 8.453 1.00 9.49 S ATOM 475 CE MET A 47 -13.770 -15.195 8.634 1.00 11.00 C ATOM 476 H MET A 47 -10.104 -18.405 10.775 1.00 10.11 H ATOM 477 HA MET A 47 -11.108 -16.024 11.126 1.00 9.95 H ATOM 478 HB2 MET A 47 -12.283 -18.487 10.394 1.00 8.70 H ATOM 479 HB3 MET A 47 -13.161 -17.166 10.481 1.00 8.70 H ATOM 480 HG2 MET A 47 -10.987 -17.460 8.720 1.00 12.02 H ATOM 481 HG3 MET A 47 -12.502 -17.657 8.281 1.00 12.02 H ATOM 482 HE1 MET A 47 -13.993 -14.282 8.391 1.00 13.20 H ATOM 483 HE2 MET A 47 -14.234 -15.815 8.049 1.00 13.20 H ATOM 484 HE3 MET A 47 -14.018 -15.361 9.556 1.00 13.20 H ATOM 485 N CYS A 48 -12.016 -18.208 13.298 1.00 8.20 N ATOM 486 CA CYS A 48 -12.582 -18.331 14.640 1.00 8.82 C ATOM 487 C CYS A 48 -11.768 -17.546 15.636 1.00 8.30 C ATOM 488 O CYS A 48 -12.348 -16.870 16.516 1.00 9.35 O ATOM 489 CB CYS A 48 -12.675 -19.810 14.972 1.00 9.34 C ATOM 490 SG CYS A 48 -13.405 -20.227 16.535 1.00 10.09 S ATOM 491 H CYS A 48 -11.749 -18.948 12.950 1.00 9.84 H ATOM 492 HA CYS A 48 -13.479 -17.964 14.685 1.00 10.58 H ATOM 493 HB2 CYS A 48 -13.208 -20.240 14.285 1.00 11.21 H ATOM 494 HB3 CYS A 48 -11.777 -20.176 14.972 1.00 11.21 H ATOM 495 N LEU A 49 -10.435 -17.579 15.507 1.00 8.24 N ATOM 496 CA LEU A 49 -9.572 -16.753 16.347 1.00 10.22 C ATOM 497 C LEU A 49 -9.923 -15.266 16.227 1.00 9.36 C ATOM 498 O LEU A 49 -10.101 -14.573 17.248 1.00 9.29 O ATOM 499 CB LEU A 49 -8.103 -17.014 16.032 1.00 9.36 C ATOM 500 CG LEU A 49 -7.096 -16.168 16.822 1.00 8.94 C ATOM 501 CD1 LEU A 49 -7.009 -16.619 18.243 1.00 9.82 C ATOM 502 CD2 LEU A 49 -5.735 -16.220 16.151 1.00 11.19 C ATOM 503 H LEU A 49 -10.010 -18.069 14.942 1.00 9.88 H ATOM 504 HA LEU A 49 -9.712 -17.007 17.272 1.00 12.27 H ATOM 505 HB2 LEU A 49 -7.911 -17.946 16.225 1.00 11.23 H ATOM 506 HB3 LEU A 49 -7.956 -16.833 15.091 1.00 11.23 H ATOM 507 HG LEU A 49 -7.397 -15.246 16.834 1.00 10.73 H ATOM 508 HD11 LEU A 49 -6.530 -15.951 18.758 1.00 11.79 H ATOM 509 HD12 LEU A 49 -7.906 -16.728 18.596 1.00 11.79 H ATOM 510 HD13 LEU A 49 -6.535 -17.465 18.278 1.00 11.79 H ATOM 511 HD21 LEU A 49 -5.141 -15.591 16.591 1.00 13.43 H ATOM 512 HD22 LEU A 49 -5.379 -17.119 16.226 1.00 13.43 H ATOM 513 HD23 LEU A 49 -5.835 -15.981 15.216 1.00 13.43 H ATOM 514 N ALA A 50 -9.978 -14.722 14.993 1.00 9.34 N ATOM 515 CA ALA A 50 -10.243 -13.295 14.809 1.00 8.56 C ATOM 516 C ALA A 50 -11.627 -12.955 15.312 1.00 8.67 C ATOM 517 O ALA A 50 -11.824 -11.857 15.864 1.00 10.03 O ATOM 518 CB ALA A 50 -10.100 -12.980 13.309 1.00 10.80 C ATOM 519 H ALA A 50 -9.865 -15.158 14.261 1.00 11.21 H ATOM 520 HA ALA A 50 -9.610 -12.752 15.303 1.00 10.27 H ATOM 521 HB1 ALA A 50 -10.247 -12.032 13.171 1.00 12.97 H ATOM 522 HB2 ALA A 50 -9.206 -13.222 13.020 1.00 12.97 H ATOM 523 HB3 ALA A 50 -10.758 -13.493 12.815 1.00 12.97 H ATOM 524 N LYS A 51 -12.604 -13.830 15.103 1.00 9.15 N ATOM 525 CA LYS A 51 -13.960 -13.552 15.499 1.00 8.90 C ATOM 526 C LYS A 51 -13.995 -13.337 16.995 1.00 10.16 C ATOM 527 O LYS A 51 -14.576 -12.352 17.490 1.00 9.93 O ATOM 528 CB LYS A 51 -14.882 -14.699 15.106 1.00 12.70 C ATOM 529 CG LYS A 51 -16.305 -14.600 15.571 1.00 21.19 C ATOM 530 CD LYS A 51 -17.046 -13.489 14.943 1.00 28.10 C ATOM 531 CE LYS A 51 -18.554 -13.557 15.246 0.40 22.64 C ATOM 532 NZ LYS A 51 -19.365 -12.777 14.237 0.93 23.06 N1+ ATOM 533 H LYS A 51 -12.499 -14.597 14.730 1.00 10.98 H ATOM 534 HA LYS A 51 -14.280 -12.759 15.041 1.00 10.69 H ATOM 535 HB2 LYS A 51 -14.902 -14.752 14.137 1.00 15.24 H ATOM 536 HB3 LYS A 51 -14.518 -15.519 15.475 1.00 15.24 H ATOM 537 HG2 LYS A 51 -16.766 -15.426 15.353 1.00 25.42 H ATOM 538 HG3 LYS A 51 -16.314 -14.459 16.530 1.00 25.42 H ATOM 539 HD2 LYS A 51 -16.706 -12.646 15.283 1.00 33.72 H ATOM 540 HD3 LYS A 51 -16.928 -13.530 13.981 1.00 33.72 H ATOM 541 HE2 LYS A 51 -18.844 -14.482 15.220 1.00 27.17 H ATOM 542 HE3 LYS A 51 -18.721 -13.182 16.125 1.00 27.17 H ATOM 543 HZ1 LYS A 51 -18.964 -12.003 14.057 0.65 27.67 H ATOM 544 HZ2 LYS A 51 -19.445 -13.243 13.484 0.00 27.67 H ATOM 545 HZ3 LYS A 51 -20.178 -12.612 14.562 1.00 27.67 H ATOM 546 N TRP A 52 -13.416 -14.251 17.753 1.00 9.58 N ATOM 547 CA TRP A 52 -13.541 -14.217 19.206 1.00 9.20 C ATOM 548 C TRP A 52 -12.541 -13.269 19.835 1.00 9.99 C ATOM 549 O TRP A 52 -12.819 -12.752 20.922 1.00 12.95 O ATOM 550 CB TRP A 52 -13.466 -15.605 19.788 1.00 10.40 C ATOM 551 CG TRP A 52 -14.687 -16.376 19.428 1.00 9.68 C ATOM 552 CD1 TRP A 52 -14.772 -17.368 18.475 1.00 11.73 C ATOM 553 CD2 TRP A 52 -15.984 -16.209 19.963 1.00 11.66 C ATOM 554 NE1 TRP A 52 -16.074 -17.800 18.405 1.00 13.63 N ATOM 555 CE2 TRP A 52 -16.812 -17.165 19.363 1.00 14.70 C ATOM 556 CE3 TRP A 52 -16.526 -15.355 20.960 1.00 14.50 C ATOM 557 CZ2 TRP A 52 -18.192 -17.254 19.641 1.00 21.86 C ATOM 558 CZ3 TRP A 52 -17.907 -15.474 21.281 1.00 20.19 C ATOM 559 CH2 TRP A 52 -18.711 -16.425 20.633 1.00 21.74 C ATOM 560 H TRP A 52 -12.942 -14.904 17.455 1.00 11.50 H ATOM 561 HA TRP A 52 -14.423 -13.889 19.442 1.00 11.04 H ATOM 562 HB2 TRP A 52 -12.690 -16.066 19.432 1.00 12.49 H ATOM 563 HB3 TRP A 52 -13.405 -15.551 20.754 1.00 12.49 H ATOM 564 HD1 TRP A 52 -14.065 -17.691 17.965 1.00 14.08 H ATOM 565 HE1 TRP A 52 -16.376 -18.380 17.846 1.00 16.36 H ATOM 566 HE3 TRP A 52 -15.989 -14.733 21.395 1.00 17.40 H ATOM 567 HZ2 TRP A 52 -18.738 -17.848 19.178 1.00 26.24 H ATOM 568 HZ3 TRP A 52 -18.280 -14.916 21.925 1.00 24.23 H ATOM 569 HH2 TRP A 52 -19.607 -16.502 20.870 1.00 26.09 H ATOM 570 N GLU A 53 -11.387 -13.016 19.248 1.00 8.76 N ATOM 571 CA GLU A 53 -10.477 -12.026 19.788 1.00 9.00 C ATOM 572 C GLU A 53 -11.037 -10.627 19.664 1.00 9.36 C ATOM 573 O GLU A 53 -10.923 -9.839 20.608 1.00 9.98 O ATOM 574 CB GLU A 53 -9.111 -12.094 19.133 1.00 9.37 C ATOM 575 CG GLU A 53 -8.293 -13.320 19.537 1.00 9.75 C ATOM 576 CD GLU A 53 -7.918 -13.383 20.980 1.00 10.90 C ATOM 577 OE1 GLU A 53 -8.123 -12.443 21.763 1.00 11.96 O ATOM 578 OE2 GLU A 53 -7.367 -14.477 21.351 1.00 11.64 O1- ATOM 579 H GLU A 53 -11.105 -13.405 18.535 1.00 10.51 H ATOM 580 HA GLU A 53 -10.360 -12.236 20.728 1.00 10.81 H ATOM 581 HB2 GLU A 53 -9.229 -12.121 18.170 1.00 11.25 H ATOM 582 HB3 GLU A 53 -8.606 -11.305 19.383 1.00 11.25 H ATOM 583 HG2 GLU A 53 -8.812 -14.115 19.337 1.00 11.70 H ATOM 584 HG3 GLU A 53 -7.470 -13.323 19.023 1.00 11.70 H ATOM 585 N SER A 54 -11.560 -10.256 18.507 1.00 8.75 N ATOM 586 CA SER A 54 -11.802 -8.854 18.197 1.00 11.00 C ATOM 587 C SER A 54 -13.104 -8.590 17.474 1.00 10.47 C ATOM 588 O SER A 54 -13.403 -7.414 17.142 1.00 11.59 O ATOM 589 CB SER A 54 -10.667 -8.286 17.337 1.00 10.27 C ATOM 590 OG SER A 54 -10.735 -8.882 16.053 1.00 9.22 O ATOM 591 H SER A 54 -11.785 -10.799 17.880 1.00 10.50 H ATOM 592 HA SER A 54 -11.826 -8.376 19.040 1.00 13.20 H ATOM 593 HB2 SER A 54 -10.770 -7.325 17.256 1.00 12.32 H ATOM 594 HB3 SER A 54 -9.813 -8.494 17.748 1.00 12.32 H ATOM 595 HG SER A 54 -10.152 -9.483 15.984 1.00 11.07 H ATOM 596 N GLY A 55 -13.884 -9.602 17.127 1.00 9.88 N ATOM 597 CA GLY A 55 -14.997 -9.369 16.235 1.00 10.71 C ATOM 598 C GLY A 55 -14.563 -8.868 14.873 1.00 10.22 C ATOM 599 O GLY A 55 -15.249 -8.015 14.251 1.00 11.29 O ATOM 600 H GLY A 55 -13.789 -10.416 17.391 1.00 11.85 H ATOM 601 HA2 GLY A 55 -15.487 -10.197 16.112 1.00 12.85 H ATOM 602 HA3 GLY A 55 -15.588 -8.708 16.628 1.00 12.85 H ATOM 603 N TYR A 56 -13.409 -9.319 14.382 1.00 8.53 N ATOM 604 CA TYR A 56 -12.855 -8.931 13.092 1.00 8.67 C ATOM 605 C TYR A 56 -12.493 -7.448 13.020 1.00 8.03 C ATOM 606 O TYR A 56 -12.533 -6.875 11.929 1.00 10.00 O ATOM 607 CB TYR A 56 -13.842 -9.269 11.959 1.00 10.14 C ATOM 608 CG TYR A 56 -14.370 -10.702 11.906 1.00 9.25 C ATOM 609 CD1 TYR A 56 -13.564 -11.841 12.118 1.00 8.59 C ATOM 610 CD2 TYR A 56 -15.692 -10.923 11.613 1.00 10.36 C ATOM 611 CE1 TYR A 56 -14.059 -13.135 12.019 1.00 8.74 C ATOM 612 CE2 TYR A 56 -16.198 -12.245 11.473 1.00 11.22 C ATOM 613 CZ TYR A 56 -15.359 -13.306 11.696 1.00 8.27 C ATOM 614 OH TYR A 56 -15.843 -14.592 11.598 1.00 10.54 O ATOM 615 H TYR A 56 -12.907 -9.878 14.801 1.00 10.24 H ATOM 616 HA TYR A 56 -12.033 -9.429 12.964 1.00 10.40 H ATOM 617 HB2 TYR A 56 -14.613 -8.687 12.051 1.00 12.17 H ATOM 618 HB3 TYR A 56 -13.398 -9.100 11.114 1.00 12.17 H ATOM 619 HD1 TYR A 56 -12.667 -11.721 12.333 1.00 10.31 H ATOM 620 HD2 TYR A 56 -16.265 -10.199 11.504 1.00 12.44 H ATOM 621 HE1 TYR A 56 -13.507 -13.868 12.171 1.00 10.49 H ATOM 622 HE2 TYR A 56 -17.086 -12.387 11.234 1.00 13.47 H ATOM 623 HH TYR A 56 -15.274 -15.136 11.893 1.00 12.65 H ATOM 624 N ASN A 57 -12.057 -6.858 14.137 1.00 9.64 N ATOM 625 CA ASN A 57 -11.807 -5.427 14.238 1.00 9.61 C ATOM 626 C ASN A 57 -10.291 -5.178 14.358 1.00 8.54 C ATOM 627 O ASN A 57 -9.680 -5.607 15.347 1.00 9.69 O ATOM 628 CB ASN A 57 -12.551 -4.899 15.480 1.00 9.00 C ATOM 629 CG ASN A 57 -12.327 -3.418 15.708 1.00 9.01 C ATOM 630 OD1 ASN A 57 -11.776 -2.682 14.895 1.00 9.75 O ATOM 631 ND2 ASN A 57 -12.756 -2.990 16.879 1.00 10.80 N ATOM 632 H ASN A 57 -11.896 -7.283 14.867 1.00 11.57 H ATOM 633 HA ASN A 57 -12.108 -4.962 13.441 1.00 11.53 H ATOM 634 HB2 ASN A 57 -13.503 -5.045 15.364 1.00 10.80 H ATOM 635 HB3 ASN A 57 -12.236 -5.375 16.264 1.00 10.80 H ATOM 636 HD21 ASN A 57 -12.669 -2.162 17.093 1.00 12.97 H ATOM 637 HD22 ASN A 57 -13.122 -3.540 17.430 1.00 12.97 H ATOM 638 N THR A 58 -9.688 -4.512 13.385 1.00 8.53 N ATOM 639 CA THR A 58 -8.271 -4.258 13.416 1.00 9.03 C ATOM 640 C THR A 58 -7.854 -3.154 14.400 1.00 10.21 C ATOM 641 O THR A 58 -6.664 -3.060 14.693 1.00 10.36 O ATOM 642 CB THR A 58 -7.735 -3.872 12.028 1.00 9.50 C ATOM 643 OG1 THR A 58 -8.340 -2.634 11.611 1.00 9.02 O ATOM 644 CG2 THR A 58 -8.006 -4.915 10.947 1.00 9.07 C ATOM 645 H THR A 58 -10.085 -4.197 12.691 1.00 10.24 H ATOM 646 HA THR A 58 -7.863 -5.093 13.694 1.00 10.84 H ATOM 647 HB THR A 58 -6.772 -3.793 12.110 1.00 11.40 H ATOM 648 HG1 THR A 58 -7.781 -2.168 11.191 1.00 10.83 H ATOM 649 HG21 THR A 58 -7.612 -4.632 10.107 1.00 10.88 H ATOM 650 HG22 THR A 58 -7.620 -5.767 11.204 1.00 10.88 H ATOM 651 HG23 THR A 58 -8.962 -5.026 10.825 1.00 10.88 H ATOM 652 N ARG A 59 -8.752 -2.251 14.826 1.00 9.47 N ATOM 653 CA ARG A 59 -8.321 -1.066 15.567 1.00 12.65 C ATOM 654 C ARG A 59 -8.380 -1.291 17.086 1.00 16.50 C ATOM 655 O ARG A 59 -7.965 -0.398 17.825 1.00 30.02 O ATOM 656 CB ARG A 59 -9.075 0.198 15.134 1.00 14.01 C ATOM 657 CG ARG A 59 -10.343 0.536 15.951 0.87 12.49 C ATOM 658 CD ARG A 59 -11.060 1.873 15.598 0.76 10.72 C ATOM 659 NE ARG A 59 -10.102 2.988 15.675 0.78 11.64 N ATOM 660 CZ ARG A 59 -9.747 3.584 16.784 0.72 9.90 C ATOM 661 NH1 ARG A 59 -10.208 3.195 17.943 1.00 15.32 N ATOM 662 NH2 ARG A 59 -8.829 4.568 16.732 0.89 14.33 N1+ ATOM 663 H ARG A 59 -9.600 -2.306 14.698 1.00 11.36 H ATOM 664 HA ARG A 59 -7.398 -0.871 15.338 1.00 15.19 H ATOM 665 HB2 ARG A 59 -8.473 0.954 15.212 1.00 16.81 H ATOM 666 HB3 ARG A 59 -9.350 0.087 14.210 1.00 16.81 H ATOM 667 HG2 ARG A 59 -10.988 -0.176 15.816 0.00 14.99 H ATOM 668 HG3 ARG A 59 -10.095 0.586 16.887 0.97 14.99 H ATOM 669 HD2 ARG A 59 -11.414 1.827 14.696 0.92 12.86 H ATOM 670 HD3 ARG A 59 -11.779 2.035 16.229 0.00 12.86 H ATOM 671 HE ARG A 59 -9.752 3.267 14.941 1.00 13.97 H ATOM 672 HH11 ARG A 59 -10.756 2.534 17.988 1.00 18.39 H ATOM 673 HH12 ARG A 59 -9.963 3.599 18.661 1.00 18.39 H ATOM 674 HH21 ARG A 59 -8.485 4.796 15.977 0.00 17.20 H ATOM 675 HH22 ARG A 59 -8.586 4.969 17.453 0.85 17.20 H ATOM 676 N ALA A 60 -8.847 -2.439 17.549 1.00 15.68 N ATOM 677 CA ALA A 60 -9.124 -2.624 18.989 1.00 22.83 C ATOM 678 C ALA A 60 -7.818 -2.700 19.809 1.00 20.53 C ATOM 679 O ALA A 60 -6.955 -3.475 19.441 1.00 12.68 O ATOM 680 CB ALA A 60 -9.919 -3.927 19.147 1.00 25.64 C ATOM 681 H ALA A 60 -9.014 -3.130 17.064 1.00 18.82 H ATOM 682 HA ALA A 60 -9.631 -1.871 19.331 1.00 27.39 H ATOM 683 HB1 ALA A 60 -10.109 -4.069 20.088 1.00 30.77 H ATOM 684 HB2 ALA A 60 -10.748 -3.854 18.649 1.00 30.77 H ATOM 685 HB3 ALA A 60 -9.390 -4.664 18.803 1.00 30.77 H ATOM 686 N THR A 61 -7.682 -1.943 20.962 1.00 20.69 N ATOM 687 CA THR A 61 -6.679 -2.298 21.984 1.00 14.73 C ATOM 688 C THR A 61 -7.380 -2.613 23.304 1.00 17.23 C ATOM 689 O THR A 61 -8.411 -2.001 23.633 1.00 18.36 O ATOM 690 CB THR A 61 -5.776 -1.202 22.269 1.00 21.49 C ATOM 691 OG1 THR A 61 -6.573 -0.041 22.578 1.00 29.61 O ATOM 692 CG2 THR A 61 -4.910 -0.890 21.042 1.00 21.21 C ATOM 693 H THR A 61 -8.154 -1.248 21.148 1.00 24.82 H ATOM 694 HA THR A 61 -6.184 -3.064 21.653 1.00 17.68 H ATOM 695 HB THR A 61 -5.189 -1.428 23.009 1.00 25.79 H ATOM 696 HG1 THR A 61 -7.289 -0.274 22.950 1.00 35.53 H ATOM 697 HG21 THR A 61 -4.362 -0.108 21.213 1.00 25.45 H ATOM 698 HG22 THR A 61 -4.332 -1.643 20.844 1.00 25.45 H ATOM 699 HG23 THR A 61 -5.476 -0.715 20.274 1.00 25.45 H ATOM 700 N ASN A 62 -6.834 -3.604 24.014 1.00 14.95 N ATOM 701 CA ASN A 62 -7.314 -3.993 25.354 1.00 16.66 C ATOM 702 C ASN A 62 -6.171 -4.059 26.350 1.00 13.10 C ATOM 703 O ASN A 62 -5.246 -4.864 26.213 1.00 12.43 O ATOM 704 CB ASN A 62 -8.062 -5.307 25.310 1.00 16.81 C ATOM 705 CG ASN A 62 -9.384 -5.167 24.578 1.00 33.44 C ATOM 706 OD1 ASN A 62 -10.323 -4.399 25.183 1.00 24.52 O ATOM 707 ND2 ASN A 62 -9.512 -5.604 23.420 1.00 26.13 N ATOM 708 H ASN A 62 -6.171 -4.078 23.739 1.00 17.94 H ATOM 709 HA ASN A 62 -7.913 -3.296 25.665 1.00 19.99 H ATOM 710 HB2 ASN A 62 -7.524 -5.968 24.847 1.00 20.17 H ATOM 711 HB3 ASN A 62 -8.244 -5.603 26.216 1.00 20.17 H ATOM 712 HD21 ASN A 62 -8.733 -6.055 22.962 1.00 31.36 H ATOM 713 HD22 ASN A 62 -10.395 -5.508 22.939 1.00 31.36 H ATOM 714 N TYR A 63 -6.231 -3.167 27.337 1.00 13.64 N ATOM 715 CA TYR A 63 -5.225 -3.123 28.375 1.00 14.52 C ATOM 716 C TYR A 63 -5.480 -4.202 29.401 1.00 14.84 C ATOM 717 O TYR A 63 -6.609 -4.431 29.836 1.00 15.92 O ATOM 718 CB TYR A 63 -5.282 -1.750 29.024 1.00 12.30 C ATOM 719 CG TYR A 63 -4.303 -1.599 30.124 1.00 13.76 C ATOM 720 CD1 TYR A 63 -2.961 -1.659 29.851 1.00 12.86 C ATOM 721 CD2 TYR A 63 -4.711 -1.361 31.467 1.00 16.08 C ATOM 722 CE1 TYR A 63 -1.991 -1.493 30.872 1.00 13.60 C ATOM 723 CE2 TYR A 63 -3.747 -1.159 32.461 1.00 14.06 C ATOM 724 CZ TYR A 63 -2.395 -1.239 32.147 1.00 15.19 C ATOM 725 OH TYR A 63 -1.409 -1.119 33.143 1.00 18.21 O ATOM 726 H TYR A 63 -6.851 -2.577 27.423 1.00 16.37 H ATOM 727 HA TYR A 63 -4.341 -3.279 28.007 1.00 17.43 H ATOM 728 HB2 TYR A 63 -5.089 -1.075 28.355 1.00 14.76 H ATOM 729 HB3 TYR A 63 -6.169 -1.610 29.390 1.00 14.76 H ATOM 730 HD1 TYR A 63 -2.681 -1.812 28.977 1.00 15.43 H ATOM 731 HD2 TYR A 63 -5.615 -1.341 31.683 1.00 19.29 H ATOM 732 HE1 TYR A 63 -1.085 -1.557 30.672 1.00 16.32 H ATOM 733 HE2 TYR A 63 -4.012 -0.970 33.332 1.00 16.88 H ATOM 734 HH TYR A 63 -0.647 -1.226 32.806 1.00 21.86 H ATOM 735 N ASN A 64 -4.433 -4.905 29.743 1.00 12.94 N ATOM 736 CA ASN A 64 -4.462 -5.886 30.808 1.00 14.89 C ATOM 737 C ASN A 64 -3.841 -5.282 32.072 1.00 12.52 C ATOM 738 O ASN A 64 -2.610 -5.255 32.239 1.00 12.34 O ATOM 739 CB ASN A 64 -3.686 -7.124 30.390 1.00 13.89 C ATOM 740 CG ASN A 64 -4.174 -7.673 29.109 1.00 23.79 C ATOM 741 OD1 ASN A 64 -5.429 -8.097 29.106 1.00 22.60 O ATOM 742 ND2 ASN A 64 -3.450 -7.727 28.130 1.00 30.37 N ATOM 743 H ASN A 64 -3.665 -4.835 29.363 1.00 15.53 H ATOM 744 HA ASN A 64 -5.387 -6.110 30.997 1.00 17.87 H ATOM 745 HB2 ASN A 64 -2.750 -6.895 30.286 1.00 16.67 H ATOM 746 HB3 ASN A 64 -3.786 -7.808 31.071 1.00 16.67 H ATOM 747 HD21 ASN A 64 -2.499 -7.393 28.186 1.00 36.44 H ATOM 748 HD22 ASN A 64 -3.802 -8.106 27.262 1.00 36.44 H ATOM 749 N ALA A 65 -4.684 -4.826 32.974 1.00 14.23 N ATOM 750 CA ALA A 65 -4.183 -4.143 34.168 1.00 15.03 C ATOM 751 C ALA A 65 -3.377 -5.095 35.040 1.00 13.29 C ATOM 752 O ALA A 65 -2.489 -4.638 35.765 1.00 15.98 O ATOM 753 CB ALA A 65 -5.354 -3.557 34.960 1.00 16.68 C ATOM 754 H ALA A 65 -5.540 -4.893 32.929 1.00 17.07 H ATOM 755 HA ALA A 65 -3.606 -3.410 33.903 1.00 18.03 H ATOM 756 HB1 ALA A 65 -5.010 -3.123 35.757 1.00 20.02 H ATOM 757 HB2 ALA A 65 -5.817 -2.910 34.406 1.00 20.02 H ATOM 758 HB3 ALA A 65 -5.958 -4.274 35.208 1.00 20.02 H ATOM 759 N GLY A 66 -3.674 -6.365 35.016 1.00 14.25 N ATOM 760 CA GLY A 66 -2.946 -7.288 35.871 1.00 14.41 C ATOM 761 C GLY A 66 -1.453 -7.295 35.634 1.00 14.03 C ATOM 762 O GLY A 66 -0.670 -7.395 36.589 1.00 13.49 O ATOM 763 H GLY A 66 -4.282 -6.725 34.526 1.00 17.11 H ATOM 764 HA2 GLY A 66 -3.100 -7.048 36.798 1.00 17.29 H ATOM 765 HA3 GLY A 66 -3.277 -8.187 35.719 1.00 17.29 H ATOM 766 N ASP A 67 -1.022 -7.224 34.359 1.00 12.94 N ATOM 767 CA ASP A 67 0.406 -7.350 34.116 1.00 13.69 C ATOM 768 C ASP A 67 0.961 -6.193 33.273 1.00 11.28 C ATOM 769 O ASP A 67 2.107 -6.227 32.874 1.00 12.51 O ATOM 770 CB ASP A 67 0.888 -8.662 33.480 1.00 13.45 C ATOM 771 CG ASP A 67 0.513 -8.822 31.987 1.00 14.70 C ATOM 772 OD1 ASP A 67 -0.226 -7.994 31.519 1.00 13.41 O ATOM 773 OD2 ASP A 67 1.201 -9.587 31.279 1.00 17.51 O1- ATOM 774 H ASP A 67 -1.519 -7.109 33.666 1.00 15.53 H ATOM 775 HA ASP A 67 0.777 -7.345 35.012 1.00 16.43 H ATOM 776 HB2 ASP A 67 1.855 -8.702 33.545 1.00 16.15 H ATOM 777 HB3 ASP A 67 0.491 -9.405 33.962 1.00 16.15 H ATOM 778 N ARG A 68 0.208 -5.141 33.098 1.00 10.42 N ATOM 779 CA ARG A 68 0.635 -3.955 32.360 1.00 12.11 C ATOM 780 C ARG A 68 0.884 -4.136 30.877 1.00 14.54 C ATOM 781 O ARG A 68 1.398 -3.223 30.216 0.96 14.73 O ATOM 782 CB ARG A 68 1.834 -3.290 33.059 1.00 15.70 C ATOM 783 CG ARG A 68 1.511 -2.871 34.519 1.00 13.65 C ATOM 784 CD ARG A 68 2.496 -1.868 35.022 1.00 15.13 C ATOM 785 NE ARG A 68 2.304 -1.567 36.440 0.69 11.92 N ATOM 786 CZ ARG A 68 1.537 -0.605 36.943 0.86 12.89 C ATOM 787 NH1 ARG A 68 0.765 0.167 36.176 0.88 14.94 N ATOM 788 NH2 ARG A 68 1.538 -0.400 38.248 1.00 14.20 N1+ ATOM 789 H ARG A 68 -0.592 -5.076 33.406 1.00 12.50 H ATOM 790 HA ARG A 68 -0.115 -3.340 32.372 1.00 14.54 H ATOM 791 HB2 ARG A 68 2.574 -3.916 33.081 1.00 18.85 H ATOM 792 HB3 ARG A 68 2.087 -2.494 32.565 1.00 18.85 H ATOM 793 HG2 ARG A 68 0.626 -2.475 34.553 1.00 16.38 H ATOM 794 HG3 ARG A 68 1.547 -3.651 35.094 1.00 16.38 H ATOM 795 HD2 ARG A 68 3.394 -2.217 34.906 1.00 18.16 H ATOM 796 HD3 ARG A 68 2.395 -1.043 34.522 1.00 18.16 H ATOM 797 HE ARG A 68 2.728 -2.059 37.003 0.61 14.30 H ATOM 798 HH11 ARG A 68 0.752 0.050 35.324 0.26 17.93 H ATOM 799 HH12 ARG A 68 0.280 0.780 36.533 0.01 17.93 H ATOM 800 HH21 ARG A 68 2.030 -0.885 38.760 1.00 17.04 H ATOM 801 HH22 ARG A 68 1.046 0.219 38.587 1.00 17.04 H ATOM 802 N SER A 69 0.385 -5.176 30.305 1.00 12.46 N ATOM 803 CA SER A 69 0.498 -5.404 28.863 1.00 11.30 C ATOM 804 C SER A 69 -0.791 -4.991 28.200 1.00 11.21 C ATOM 805 O SER A 69 -1.814 -4.765 28.825 1.00 10.56 O ATOM 806 CB SER A 69 0.828 -6.866 28.587 1.00 11.03 C ATOM 807 OG SER A 69 -0.293 -7.707 28.819 1.00 11.98 O ATOM 808 H SER A 69 -0.041 -5.796 30.722 1.00 14.96 H ATOM 809 HA SER A 69 1.217 -4.874 28.486 1.00 13.56 H ATOM 810 HB2 SER A 69 1.100 -6.956 27.661 1.00 13.24 H ATOM 811 HB3 SER A 69 1.551 -7.139 29.173 1.00 13.24 H ATOM 812 HG SER A 69 -0.369 -7.864 29.641 1.00 14.38 H ATOM 813 N THR A 70 -0.741 -4.921 26.881 1.00 9.48 N ATOM 814 CA THR A 70 -1.876 -4.576 26.061 1.00 10.61 C ATOM 815 C THR A 70 -1.974 -5.532 24.862 1.00 9.70 C ATOM 816 O THR A 70 -0.945 -5.974 24.310 1.00 9.33 O ATOM 817 CB THR A 70 -1.774 -3.125 25.536 1.00 9.35 C ATOM 818 OG1 THR A 70 -1.687 -2.241 26.674 1.00 10.49 O ATOM 819 CG2 THR A 70 -2.952 -2.713 24.692 1.00 11.80 C ATOM 820 H THR A 70 -0.029 -5.076 26.424 1.00 11.38 H ATOM 821 HA THR A 70 -2.682 -4.667 26.593 1.00 12.73 H ATOM 822 HB THR A 70 -0.991 -3.060 24.967 1.00 11.22 H ATOM 823 HG1 THR A 70 -1.008 -2.427 27.132 1.00 12.59 H ATOM 824 HG21 THR A 70 -2.928 -1.756 24.534 1.00 14.16 H ATOM 825 HG22 THR A 70 -2.925 -3.173 23.838 1.00 14.16 H ATOM 826 HG23 THR A 70 -3.780 -2.937 25.145 1.00 14.16 H ATOM 827 N ASP A 71 -3.218 -5.838 24.497 1.00 10.29 N ATOM 828 CA ASP A 71 -3.529 -6.674 23.340 1.00 9.50 C ATOM 829 C ASP A 71 -3.957 -5.787 22.189 1.00 9.43 C ATOM 830 O ASP A 71 -4.754 -4.900 22.366 1.00 12.21 O ATOM 831 CB ASP A 71 -4.687 -7.622 23.679 1.00 11.63 C ATOM 832 CG ASP A 71 -4.381 -8.570 24.815 1.00 14.48 C ATOM 833 OD1 ASP A 71 -3.240 -9.022 24.889 1.00 17.84 O ATOM 834 OD2 ASP A 71 -5.318 -8.805 25.581 1.00 22.06 O1- ATOM 835 H ASP A 71 -3.917 -5.565 24.915 1.00 12.35 H ATOM 836 HA ASP A 71 -2.746 -7.185 23.084 1.00 11.40 H ATOM 837 HB2 ASP A 71 -5.460 -7.094 23.933 1.00 13.96 H ATOM 838 HB3 ASP A 71 -4.893 -8.155 22.895 1.00 13.96 H ATOM 839 N TYR A 72 -3.452 -6.075 20.975 1.00 8.76 N ATOM 840 CA TYR A 72 -3.575 -5.175 19.809 1.00 9.97 C ATOM 841 C TYR A 72 -4.207 -5.847 18.590 1.00 10.08 C ATOM 842 O TYR A 72 -3.740 -6.892 18.135 1.00 8.53 O ATOM 843 CB TYR A 72 -2.195 -4.639 19.393 1.00 8.72 C ATOM 844 CG TYR A 72 -1.593 -3.684 20.380 1.00 10.11 C ATOM 845 CD1 TYR A 72 -0.834 -4.158 21.455 1.00 9.30 C ATOM 846 CD2 TYR A 72 -1.782 -2.339 20.270 1.00 10.66 C ATOM 847 CE1 TYR A 72 -0.267 -3.238 22.406 1.00 10.18 C ATOM 848 CE2 TYR A 72 -1.235 -1.466 21.184 1.00 10.32 C ATOM 849 CZ TYR A 72 -0.492 -1.938 22.246 1.00 8.28 C ATOM 850 OH TYR A 72 0.022 -1.016 23.122 1.00 11.00 O ATOM 851 H TYR A 72 -3.024 -6.801 20.799 1.00 10.51 H ATOM 852 HA TYR A 72 -4.171 -4.459 20.079 1.00 11.97 H ATOM 853 HB2 TYR A 72 -1.587 -5.388 19.296 1.00 10.46 H ATOM 854 HB3 TYR A 72 -2.285 -4.173 18.547 1.00 10.46 H ATOM 855 HD1 TYR A 72 -0.695 -5.072 21.556 1.00 11.16 H ATOM 856 HD2 TYR A 72 -2.290 -2.005 19.566 1.00 12.79 H ATOM 857 HE1 TYR A 72 0.246 -3.546 23.118 1.00 12.22 H ATOM 858 HE2 TYR A 72 -1.367 -0.551 21.085 1.00 12.38 H ATOM 859 HH TYR A 72 0.624 -1.369 23.590 1.00 13.20 H ATOM 860 N GLY A 73 -5.235 -5.228 18.042 1.00 8.94 N ATOM 861 CA GLY A 73 -5.683 -5.536 16.696 1.00 8.48 C ATOM 862 C GLY A 73 -6.560 -6.769 16.562 1.00 9.58 C ATOM 863 O GLY A 73 -7.169 -7.279 17.510 1.00 9.01 O ATOM 864 H GLY A 73 -5.697 -4.617 18.432 1.00 10.73 H ATOM 865 HA2 GLY A 73 -6.188 -4.779 16.359 1.00 10.18 H ATOM 866 HA3 GLY A 73 -4.903 -5.670 16.135 1.00 10.18 H ATOM 867 N ILE A 74 -6.606 -7.234 15.323 1.00 8.28 N ATOM 868 CA ILE A 74 -7.633 -8.208 14.965 1.00 8.77 C ATOM 869 C ILE A 74 -7.400 -9.549 15.650 1.00 8.20 C ATOM 870 O ILE A 74 -8.368 -10.260 15.932 1.00 8.99 O ATOM 871 CB ILE A 74 -7.689 -8.374 13.427 1.00 7.92 C ATOM 872 CG1 ILE A 74 -8.974 -9.046 12.978 1.00 9.22 C ATOM 873 CG2 ILE A 74 -6.430 -8.996 12.822 1.00 8.93 C ATOM 874 CD1 ILE A 74 -9.258 -8.928 11.492 1.00 8.99 C ATOM 875 H ILE A 74 -6.072 -7.012 14.686 1.00 9.93 H ATOM 876 HA ILE A 74 -8.487 -7.868 15.276 1.00 10.53 H ATOM 877 HB ILE A 74 -7.705 -7.474 13.065 1.00 9.51 H ATOM 878 HG12 ILE A 74 -8.919 -9.991 13.192 1.00 11.06 H ATOM 879 HG13 ILE A 74 -9.717 -8.641 13.452 1.00 11.06 H ATOM 880 HG21 ILE A 74 -6.465 -8.904 11.857 1.00 10.72 H ATOM 881 HG22 ILE A 74 -5.651 -8.534 13.170 1.00 10.72 H ATOM 882 HG23 ILE A 74 -6.394 -9.934 13.064 1.00 10.72 H ATOM 883 HD11 ILE A 74 -10.129 -9.313 11.306 1.00 10.79 H ATOM 884 HD12 ILE A 74 -9.250 -7.991 11.243 1.00 10.79 H ATOM 885 HD13 ILE A 74 -8.573 -9.407 11.000 1.00 10.79 H ATOM 886 N PHE A 75 -6.137 -9.890 15.943 1.00 9.03 N ATOM 887 CA PHE A 75 -5.833 -11.104 16.679 1.00 8.83 C ATOM 888 C PHE A 75 -5.481 -10.838 18.135 1.00 9.36 C ATOM 889 O PHE A 75 -5.113 -11.779 18.830 1.00 10.32 O ATOM 890 CB PHE A 75 -4.645 -11.803 16.032 1.00 9.08 C ATOM 891 CG PHE A 75 -4.865 -12.246 14.584 1.00 8.99 C ATOM 892 CD1 PHE A 75 -5.911 -13.070 14.244 1.00 9.98 C ATOM 893 CD2 PHE A 75 -3.997 -11.765 13.620 1.00 11.34 C ATOM 894 CE1 PHE A 75 -6.054 -13.507 12.896 1.00 12.85 C ATOM 895 CE2 PHE A 75 -4.151 -12.148 12.294 1.00 12.32 C ATOM 896 CZ PHE A 75 -5.163 -12.958 11.938 1.00 12.44 C ATOM 897 H PHE A 75 -5.447 -9.428 15.723 1.00 10.84 H ATOM 898 HA PHE A 75 -6.613 -11.680 16.646 1.00 10.59 H ATOM 899 HB2 PHE A 75 -3.890 -11.194 16.038 1.00 10.90 H ATOM 900 HB3 PHE A 75 -4.436 -12.596 16.550 1.00 10.90 H ATOM 901 HD1 PHE A 75 -6.523 -13.341 14.890 1.00 11.97 H ATOM 902 HD2 PHE A 75 -3.310 -11.185 13.859 1.00 13.61 H ATOM 903 HE1 PHE A 75 -6.704 -14.127 12.654 1.00 15.42 H ATOM 904 HE2 PHE A 75 -3.553 -11.844 11.650 1.00 14.78 H ATOM 905 HZ PHE A 75 -5.283 -13.164 11.039 1.00 14.92 H ATOM 906 N GLN A 76 -5.639 -9.595 18.601 1.00 9.36 N ATOM 907 CA GLN A 76 -5.381 -9.204 19.989 1.00 10.14 C ATOM 908 C GLN A 76 -4.035 -9.764 20.451 1.00 10.71 C ATOM 909 O GLN A 76 -3.938 -10.437 21.507 1.00 11.55 O ATOM 910 CB GLN A 76 -6.555 -9.631 20.885 1.00 9.89 C ATOM 911 CG GLN A 76 -7.774 -8.770 20.676 1.00 12.05 C ATOM 912 CD GLN A 76 -7.622 -7.390 21.154 1.00 10.74 C ATOM 913 OE1 GLN A 76 -7.734 -7.164 22.372 1.00 12.83 O ATOM 914 NE2 GLN A 76 -7.361 -6.429 20.293 1.00 10.48 N ATOM 915 H GLN A 76 -5.905 -8.938 18.114 1.00 11.23 H ATOM 916 HA GLN A 76 -5.314 -8.239 20.060 1.00 12.17 H ATOM 917 HB2 GLN A 76 -6.794 -10.548 20.680 1.00 11.87 H ATOM 918 HB3 GLN A 76 -6.288 -9.557 21.815 1.00 11.87 H ATOM 919 HG2 GLN A 76 -7.970 -8.733 19.727 1.00 14.46 H ATOM 920 HG3 GLN A 76 -8.520 -9.166 21.153 1.00 14.46 H ATOM 921 HE21 GLN A 76 -7.281 -6.611 19.456 1.00 12.58 H ATOM 922 HE22 GLN A 76 -7.271 -5.618 20.566 1.00 12.58 H ATOM 923 N ILE A 77 -3.002 -9.500 19.699 1.00 9.27 N ATOM 924 CA ILE A 77 -1.631 -9.947 19.991 1.00 9.59 C ATOM 925 C ILE A 77 -1.035 -9.096 21.124 1.00 10.77 C ATOM 926 O ILE A 77 -1.170 -7.862 21.152 1.00 9.71 O ATOM 927 CB ILE A 77 -0.792 -9.896 18.704 1.00 8.88 C ATOM 928 CG1 ILE A 77 -1.254 -11.049 17.805 1.00 10.69 C ATOM 929 CG2 ILE A 77 0.684 -9.945 19.039 1.00 9.97 C ATOM 930 CD1 ILE A 77 -0.744 -10.956 16.374 1.00 11.50 C ATOM 931 H ILE A 77 -3.050 -9.041 18.974 1.00 11.12 H ATOM 932 HA ILE A 77 -1.642 -10.864 20.308 1.00 11.52 H ATOM 933 HB ILE A 77 -0.925 -9.064 18.225 1.00 10.66 H ATOM 934 HG12 ILE A 77 -0.933 -11.884 18.180 1.00 12.83 H ATOM 935 HG13 ILE A 77 -2.224 -11.051 17.773 1.00 12.83 H ATOM 936 HG21 ILE A 77 1.183 -10.157 18.235 1.00 11.97 H ATOM 937 HG22 ILE A 77 0.958 -9.081 19.382 1.00 11.97 H ATOM 938 HG23 ILE A 77 0.833 -10.630 19.710 1.00 11.97 H ATOM 939 HD11 ILE A 77 -1.092 -11.704 15.865 1.00 13.81 H ATOM 940 HD12 ILE A 77 -1.047 -10.121 15.985 1.00 13.81 H ATOM 941 HD13 ILE A 77 0.226 -10.984 16.383 1.00 13.81 H ATOM 942 N ASN A 78 -0.394 -9.749 22.079 1.00 10.18 N ATOM 943 CA ASN A 78 -0.010 -9.120 23.352 1.00 9.75 C ATOM 944 C ASN A 78 1.399 -8.534 23.294 1.00 10.77 C ATOM 945 O ASN A 78 2.327 -9.111 22.718 1.00 11.55 O ATOM 946 CB ASN A 78 -0.160 -10.170 24.473 1.00 11.51 C ATOM 947 CG ASN A 78 0.104 -9.658 25.850 1.00 11.65 C ATOM 948 OD1 ASN A 78 1.198 -9.741 26.352 1.00 13.26 O ATOM 949 ND2 ASN A 78 -0.900 -9.106 26.432 1.00 13.26 N ATOM 950 H ASN A 78 -0.161 -10.575 22.022 1.00 12.22 H ATOM 951 HA ASN A 78 -0.584 -8.364 23.549 1.00 11.70 H ATOM 952 HB2 ASN A 78 -1.068 -10.509 24.458 1.00 13.81 H ATOM 953 HB3 ASN A 78 0.467 -10.891 24.306 1.00 13.81 H ATOM 954 HD21 ASN A 78 -0.815 -8.790 27.227 1.00 15.91 H ATOM 955 HD22 ASN A 78 -1.656 -9.052 26.026 1.00 15.91 H ATOM 956 N SER A 79 1.556 -7.363 23.971 1.00 9.38 N ATOM 957 CA SER A 79 2.811 -6.600 23.950 1.00 10.10 C ATOM 958 C SER A 79 3.903 -7.182 24.851 1.00 11.02 C ATOM 959 O SER A 79 5.071 -6.776 24.700 1.00 13.62 O ATOM 960 CB SER A 79 2.530 -5.189 24.404 1.00 9.94 C ATOM 961 OG SER A 79 2.022 -5.163 25.773 1.00 10.82 O ATOM 962 H SER A 79 0.941 -6.998 24.449 1.00 11.25 H ATOM 963 HA SER A 79 3.150 -6.596 23.041 1.00 12.12 H ATOM 964 HB2 SER A 79 3.353 -4.677 24.365 1.00 11.93 H ATOM 965 HB3 SER A 79 1.867 -4.796 23.815 1.00 11.93 H ATOM 966 HG SER A 79 2.354 -4.514 26.190 1.00 12.98 H ATOM 967 N ARG A 80 3.601 -8.141 25.728 1.00 12.57 N ATOM 968 CA ARG A 80 4.672 -8.686 26.580 1.00 13.19 C ATOM 969 C ARG A 80 5.711 -9.492 25.799 1.00 15.61 C ATOM 970 O ARG A 80 6.903 -9.427 26.140 1.00 15.07 O ATOM 971 CB ARG A 80 4.054 -9.588 27.634 1.00 16.00 C ATOM 972 CG ARG A 80 5.115 -10.226 28.536 1.00 16.59 C ATOM 973 CD ARG A 80 4.691 -10.494 30.010 1.00 17.15 C ATOM 974 NE ARG A 80 4.201 -9.286 30.630 1.00 17.96 N ATOM 975 CZ ARG A 80 4.990 -8.296 31.031 1.00 14.63 C ATOM 976 NH1 ARG A 80 6.318 -8.429 30.968 1.00 17.35 N ATOM 977 NH2 ARG A 80 4.488 -7.178 31.495 1.00 17.26 N1+ ATOM 978 H ARG A 80 2.821 -8.482 25.849 1.00 15.09 H ATOM 979 HA ARG A 80 5.128 -7.938 26.998 1.00 15.82 H ATOM 980 HB2 ARG A 80 3.457 -9.065 28.191 1.00 19.20 H ATOM 981 HB3 ARG A 80 3.561 -10.299 27.195 1.00 19.20 H ATOM 982 HG2 ARG A 80 5.366 -11.081 28.152 1.00 19.91 H ATOM 983 HG3 ARG A 80 5.885 -9.637 28.563 1.00 19.91 H ATOM 984 HD2 ARG A 80 3.984 -11.158 30.028 1.00 20.58 H ATOM 985 HD3 ARG A 80 5.457 -10.810 30.515 1.00 20.58 H ATOM 986 HE ARG A 80 3.353 -9.203 30.746 1.00 21.56 H ATOM 987 HH11 ARG A 80 6.664 -9.157 30.668 1.00 20.82 H ATOM 988 HH12 ARG A 80 6.827 -7.787 31.229 1.00 20.82 H ATOM 989 HH21 ARG A 80 3.635 -7.076 31.543 1.00 20.71 H ATOM 990 HH22 ARG A 80 5.011 -6.545 31.751 1.00 20.71 H ATOM 991 N TYR A 81 5.320 -10.217 24.751 1.00 12.51 N ATOM 992 CA TYR A 81 6.245 -11.026 23.985 1.00 12.69 C ATOM 993 C TYR A 81 6.334 -10.644 22.538 1.00 13.05 C ATOM 994 O TYR A 81 7.381 -10.841 21.969 1.00 13.13 O ATOM 995 CB TYR A 81 5.944 -12.553 24.088 1.00 15.27 C ATOM 996 CG TYR A 81 7.160 -13.423 23.712 1.00 18.52 C ATOM 997 CD1 TYR A 81 7.257 -14.027 22.482 1.00 17.75 C ATOM 998 CD2 TYR A 81 8.216 -13.630 24.648 1.00 20.09 C ATOM 999 CE1 TYR A 81 8.373 -14.779 22.118 1.00 20.00 C ATOM 1000 CE2 TYR A 81 9.341 -14.404 24.301 1.00 19.28 C ATOM 1001 CZ TYR A 81 9.396 -15.006 23.037 1.00 22.52 C ATOM 1002 OH TYR A 81 10.503 -15.800 22.661 1.00 24.82 O ATOM 1003 H TYR A 81 4.509 -10.253 24.466 1.00 15.01 H ATOM 1004 HA TYR A 81 7.121 -10.906 24.385 1.00 15.22 H ATOM 1005 HB2 TYR A 81 5.693 -12.765 25.001 1.00 18.33 H ATOM 1006 HB3 TYR A 81 5.218 -12.773 23.484 1.00 18.33 H ATOM 1007 HD1 TYR A 81 6.558 -13.932 21.875 1.00 21.30 H ATOM 1008 HD2 TYR A 81 8.163 -13.249 25.495 1.00 24.11 H ATOM 1009 HE1 TYR A 81 8.436 -15.129 21.259 1.00 24.00 H ATOM 1010 HE2 TYR A 81 10.040 -14.514 24.905 1.00 23.14 H ATOM 1011 HH TYR A 81 10.882 -16.106 23.345 1.00 29.78 H ATOM 1012 N TRP A 82 5.319 -10.025 21.936 1.00 11.91 N ATOM 1013 CA TRP A 82 5.212 -10.100 20.483 1.00 12.61 C ATOM 1014 C TRP A 82 5.474 -8.788 19.744 1.00 9.16 C ATOM 1015 O TRP A 82 5.969 -8.822 18.619 1.00 10.86 O ATOM 1016 CB TRP A 82 3.808 -10.675 20.057 1.00 10.88 C ATOM 1017 CG TRP A 82 3.583 -11.977 20.652 1.00 10.66 C ATOM 1018 CD1 TRP A 82 2.767 -12.265 21.665 1.00 10.69 C ATOM 1019 CD2 TRP A 82 4.303 -13.180 20.355 1.00 11.32 C ATOM 1020 NE1 TRP A 82 2.928 -13.614 22.050 1.00 11.88 N ATOM 1021 CE2 TRP A 82 3.822 -14.184 21.204 1.00 11.31 C ATOM 1022 CE3 TRP A 82 5.212 -13.526 19.368 1.00 11.09 C ATOM 1023 CZ2 TRP A 82 4.307 -15.512 21.166 1.00 13.41 C ATOM 1024 CZ3 TRP A 82 5.710 -14.864 19.372 1.00 11.48 C ATOM 1025 CH2 TRP A 82 5.259 -15.799 20.271 1.00 13.76 C ATOM 1026 H TRP A 82 4.705 -9.574 22.335 1.00 14.30 H ATOM 1027 HA TRP A 82 5.889 -10.723 20.177 1.00 15.14 H ATOM 1028 HB2 TRP A 82 3.108 -10.074 20.356 1.00 13.05 H ATOM 1029 HB3 TRP A 82 3.776 -10.768 19.092 1.00 13.05 H ATOM 1030 HD1 TRP A 82 2.178 -11.665 22.061 1.00 12.83 H ATOM 1031 HE1 TRP A 82 2.531 -14.005 22.705 1.00 14.26 H ATOM 1032 HE3 TRP A 82 5.487 -12.910 18.727 1.00 13.30 H ATOM 1033 HZ2 TRP A 82 3.976 -16.162 21.742 1.00 16.09 H ATOM 1034 HZ3 TRP A 82 6.356 -15.108 18.749 1.00 13.78 H ATOM 1035 HH2 TRP A 82 5.626 -16.654 20.258 1.00 16.52 H ATOM 1036 N CYS A 83 5.087 -7.619 20.272 1.00 11.60 N ATOM 1037 CA CYS A 83 5.282 -6.335 19.620 1.00 10.46 C ATOM 1038 C CYS A 83 5.758 -5.363 20.676 1.00 10.93 C ATOM 1039 O CYS A 83 5.598 -5.594 21.880 1.00 10.60 O ATOM 1040 CB CYS A 83 4.001 -5.865 18.939 1.00 11.79 C ATOM 1041 SG CYS A 83 2.582 -5.541 20.027 1.00 11.11 S ATOM 1042 H CYS A 83 4.697 -7.549 21.035 1.00 13.93 H ATOM 1043 HA CYS A 83 5.961 -6.383 18.929 1.00 12.56 H ATOM 1044 HB2 CYS A 83 4.195 -5.039 18.470 1.00 14.15 H ATOM 1045 HB3 CYS A 83 3.726 -6.549 18.309 1.00 14.15 H ATOM 1046 N ASN A 84 6.405 -4.272 20.243 1.00 9.95 N ATOM 1047 CA ASN A 84 6.858 -3.247 21.186 1.00 10.15 C ATOM 1048 C ASN A 84 5.894 -2.073 21.229 1.00 9.84 C ATOM 1049 O ASN A 84 5.651 -1.418 20.190 1.00 9.19 O ATOM 1050 CB ASN A 84 8.232 -2.713 20.810 1.00 9.38 C ATOM 1051 CG ASN A 84 8.751 -1.709 21.840 1.00 11.29 C ATOM 1052 OD1 ASN A 84 8.681 -1.975 23.054 1.00 11.33 O ATOM 1053 ND2 ASN A 84 9.215 -0.566 21.376 1.00 10.85 N ATOM 1054 H ASN A 84 6.589 -4.109 19.419 1.00 11.94 H ATOM 1055 HA ASN A 84 6.891 -3.661 22.062 1.00 12.18 H ATOM 1056 HB2 ASN A 84 8.860 -3.451 20.762 1.00 11.26 H ATOM 1057 HB3 ASN A 84 8.178 -2.267 19.951 1.00 11.26 H ATOM 1058 HD21 ASN A 84 9.517 0.028 21.920 1.00 13.02 H ATOM 1059 HD22 ASN A 84 9.216 -0.415 20.530 1.00 13.02 H ATOM 1060 N ASP A 85 5.447 -1.738 22.452 1.00 9.70 N ATOM 1061 CA ASP A 85 4.719 -0.507 22.711 1.00 9.23 C ATOM 1062 C ASP A 85 5.460 0.413 23.661 1.00 10.79 C ATOM 1063 O ASP A 85 4.922 1.486 23.966 1.00 10.38 O ATOM 1064 CB ASP A 85 3.287 -0.735 23.171 1.00 9.37 C ATOM 1065 CG ASP A 85 3.140 -1.443 24.507 1.00 10.80 C ATOM 1066 OD1 ASP A 85 4.128 -1.656 25.248 1.00 10.73 O ATOM 1067 OD2 ASP A 85 1.970 -1.783 24.780 1.00 10.91 O1- ATOM 1068 H ASP A 85 5.560 -2.223 23.153 1.00 11.64 H ATOM 1069 HA ASP A 85 4.631 -0.050 21.860 1.00 11.08 H ATOM 1070 HB2 ASP A 85 2.850 0.127 23.251 1.00 11.24 H ATOM 1071 HB3 ASP A 85 2.834 -1.277 22.506 1.00 11.24 H ATOM 1072 N GLY A 86 6.671 0.082 24.094 1.00 9.82 N ATOM 1073 CA GLY A 86 7.422 0.982 24.955 1.00 11.04 C ATOM 1074 C GLY A 86 6.964 1.058 26.391 1.00 12.20 C ATOM 1075 O GLY A 86 7.696 1.640 27.212 1.00 16.67 O ATOM 1076 H GLY A 86 7.074 -0.653 23.904 1.00 11.79 H ATOM 1077 HA2 GLY A 86 8.350 0.697 24.960 1.00 13.25 H ATOM 1078 HA3 GLY A 86 7.369 1.877 24.584 1.00 13.25 H ATOM 1079 N LYS A 87 5.798 0.541 26.745 1.00 12.38 N ATOM 1080 CA LYS A 87 5.221 0.782 28.087 1.00 12.49 C ATOM 1081 C LYS A 87 4.927 -0.537 28.804 1.00 13.12 C ATOM 1082 O LYS A 87 4.200 -0.542 29.807 1.00 13.86 O ATOM 1083 CB LYS A 87 3.944 1.642 27.956 1.00 13.02 C ATOM 1084 CG LYS A 87 2.857 1.046 27.083 1.00 13.21 C ATOM 1085 CD LYS A 87 1.523 1.792 27.109 1.00 13.58 C ATOM 1086 CE LYS A 87 0.489 1.283 26.132 1.00 16.52 C ATOM 1087 NZ LYS A 87 -0.653 2.283 26.019 1.00 18.09 N1+ ATOM 1088 H LYS A 87 5.312 0.047 26.235 1.00 14.86 H ATOM 1089 HA LYS A 87 5.845 1.281 28.636 1.00 14.98 H ATOM 1090 HB2 LYS A 87 3.568 1.770 28.841 1.00 15.63 H ATOM 1091 HB3 LYS A 87 4.188 2.499 27.573 1.00 15.63 H ATOM 1092 HG2 LYS A 87 3.169 1.042 26.164 1.00 15.85 H ATOM 1093 HG3 LYS A 87 2.688 0.138 27.379 1.00 15.85 H ATOM 1094 HD2 LYS A 87 1.145 1.715 27.999 1.00 16.29 H ATOM 1095 HD3 LYS A 87 1.687 2.724 26.898 1.00 16.29 H ATOM 1096 HE2 LYS A 87 0.892 1.170 25.257 1.00 19.83 H ATOM 1097 HE3 LYS A 87 0.132 0.437 26.445 1.00 19.83 H ATOM 1098 HZ1 LYS A 87 -1.337 1.916 25.584 1.00 21.71 H ATOM 1099 HZ2 LYS A 87 -0.925 2.529 26.830 1.00 21.71 H ATOM 1100 HZ3 LYS A 87 -0.382 3.005 25.574 1.00 21.71 H ATOM 1101 N ASN A 88 5.431 -1.645 28.304 1.00 11.76 N ATOM 1102 CA ASN A 88 5.162 -2.928 28.954 1.00 12.41 C ATOM 1103 C ASN A 88 6.428 -3.389 29.627 1.00 15.64 C ATOM 1104 O ASN A 88 7.444 -3.645 28.946 1.00 13.69 O ATOM 1105 CB ASN A 88 4.723 -3.963 27.923 1.00 0.00 C ATOM 1106 CG ASN A 88 3.500 -3.611 27.076 1.00 0.00 C ATOM 1107 OD1 ASN A 88 3.603 -3.018 26.009 1.00 0.00 O ATOM 1108 ND2 ASN A 88 2.316 -4.018 27.530 1.00 0.00 N ATOM 1109 H ASN A 88 5.925 -1.689 27.601 1.00 14.11 H ATOM 1110 HA ASN A 88 4.457 -2.826 29.613 1.00 14.89 H ATOM 1111 HB2 ASN A 88 5.533 -4.138 27.214 1.00 0.00 H ATOM 1112 HB3 ASN A 88 4.475 -4.897 28.427 1.00 0.00 H ATOM 1113 HD22 ASN A 88 1.477 -3.811 27.007 1.00 0.00 H ATOM 1114 HD21 ASN A 88 2.257 -4.534 28.396 1.00 0.00 H ATOM 1115 N PRO A 89 6.442 -3.408 30.960 1.00 15.61 N ATOM 1116 CA PRO A 89 7.721 -3.607 31.633 1.00 15.27 C ATOM 1117 C PRO A 89 8.318 -5.013 31.415 1.00 16.56 C ATOM 1118 O PRO A 89 7.628 -6.049 31.383 1.00 18.85 O ATOM 1119 CB PRO A 89 7.419 -3.292 33.094 1.00 18.75 C ATOM 1120 CG PRO A 89 5.965 -3.536 33.285 1.00 19.79 C ATOM 1121 CD PRO A 89 5.350 -3.127 31.888 1.00 16.10 C ATOM 1122 HA PRO A 89 8.367 -2.964 31.300 1.00 18.32 H ATOM 1123 HB2 PRO A 89 7.941 -3.876 33.666 1.00 22.51 H ATOM 1124 HB3 PRO A 89 7.637 -2.365 33.278 1.00 22.51 H ATOM 1125 HG2 PRO A 89 5.802 -4.471 33.484 1.00 23.76 H ATOM 1126 HG3 PRO A 89 5.620 -2.979 34.001 1.00 23.76 H ATOM 1127 HD2 PRO A 89 4.571 -3.665 31.681 1.00 19.33 H ATOM 1128 HD3 PRO A 89 5.116 -2.185 31.874 1.00 19.33 H ATOM 1129 N GLY A 90 9.601 -5.013 31.069 1.00 18.12 N ATOM 1130 CA GLY A 90 10.303 -6.237 30.820 1.00 20.13 C ATOM 1131 C GLY A 90 9.899 -6.969 29.567 1.00 17.86 C ATOM 1132 O GLY A 90 10.344 -8.103 29.367 1.00 21.94 O ATOM 1133 H GLY A 90 10.081 -4.306 30.975 1.00 21.75 H ATOM 1134 HA2 GLY A 90 11.250 -6.041 30.753 1.00 24.16 H ATOM 1135 HA3 GLY A 90 10.156 -6.835 31.569 1.00 24.16 H ATOM 1136 N ALA A 91 9.178 -6.318 28.643 1.00 18.22 N ATOM 1137 CA ALA A 91 8.674 -6.991 27.452 1.00 13.72 C ATOM 1138 C ALA A 91 9.738 -7.190 26.388 1.00 12.70 C ATOM 1139 O ALA A 91 10.812 -6.555 26.389 1.00 18.93 O ATOM 1140 CB ALA A 91 7.490 -6.185 26.910 1.00 18.41 C ATOM 1141 H ALA A 91 8.971 -5.485 28.688 1.00 21.86 H ATOM 1142 HA ALA A 91 8.383 -7.887 27.681 1.00 16.47 H ATOM 1143 HB1 ALA A 91 7.118 -6.647 26.143 1.00 22.10 H ATOM 1144 HB2 ALA A 91 6.819 -6.104 27.606 1.00 22.10 H ATOM 1145 HB3 ALA A 91 7.801 -5.305 26.647 1.00 22.10 H ATOM 1146 N VAL A 92 9.435 -8.126 25.485 1.00 13.64 N ATOM 1147 CA VAL A 92 10.226 -8.337 24.303 1.00 12.90 C ATOM 1148 C VAL A 92 9.282 -8.148 23.106 1.00 16.52 C ATOM 1149 O VAL A 92 8.077 -7.812 23.260 1.00 15.47 O ATOM 1150 CB VAL A 92 10.950 -9.697 24.312 1.00 16.29 C ATOM 1151 CG1 VAL A 92 11.988 -9.727 25.450 1.00 18.13 C ATOM 1152 CG2 VAL A 92 9.993 -10.859 24.380 1.00 17.83 C ATOM 1153 H VAL A 92 8.759 -8.654 25.548 1.00 16.37 H ATOM 1154 HA VAL A 92 10.940 -7.683 24.244 1.00 15.48 H ATOM 1155 HB VAL A 92 11.419 -9.804 23.470 1.00 19.55 H ATOM 1156 HG11 VAL A 92 12.444 -10.583 25.440 1.00 21.76 H ATOM 1157 HG12 VAL A 92 12.628 -9.010 25.313 1.00 21.76 H ATOM 1158 HG13 VAL A 92 11.532 -9.605 26.297 1.00 21.76 H ATOM 1159 HG21 VAL A 92 10.501 -11.685 24.417 1.00 21.40 H ATOM 1160 HG22 VAL A 92 9.446 -10.772 25.176 1.00 21.40 H ATOM 1161 HG23 VAL A 92 9.431 -10.852 23.589 1.00 21.40 H ATOM 1162 N ASN A 93 9.849 -8.301 21.927 1.00 13.21 N ATOM 1163 CA ASN A 93 9.248 -7.912 20.646 1.00 13.69 C ATOM 1164 C ASN A 93 9.614 -8.976 19.591 1.00 13.08 C ATOM 1165 O ASN A 93 10.361 -8.709 18.659 1.00 13.49 O ATOM 1166 CB ASN A 93 9.734 -6.502 20.242 1.00 11.38 C ATOM 1167 CG ASN A 93 9.196 -6.012 18.982 1.00 13.32 C ATOM 1168 OD1 ASN A 93 8.260 -6.553 18.399 1.00 11.66 O ATOM 1169 ND2 ASN A 93 9.797 -4.955 18.492 1.00 13.35 N ATOM 1170 H ASN A 93 10.629 -8.649 21.826 1.00 15.85 H ATOM 1171 HA ASN A 93 8.281 -7.900 20.718 1.00 16.43 H ATOM 1172 HB2 ASN A 93 9.473 -5.876 20.935 1.00 13.66 H ATOM 1173 HB3 ASN A 93 10.700 -6.521 20.159 1.00 13.66 H ATOM 1174 HD21 ASN A 93 9.530 -4.613 17.750 1.00 16.02 H ATOM 1175 HD22 ASN A 93 10.460 -4.604 18.914 1.00 16.02 H ATOM 1176 N ALA A 94 9.016 -10.163 19.723 1.00 13.40 N ATOM 1177 CA ALA A 94 9.417 -11.269 18.835 1.00 12.41 C ATOM 1178 C ALA A 94 8.997 -11.050 17.380 1.00 14.61 C ATOM 1179 O ALA A 94 9.629 -11.603 16.491 1.00 14.88 O ATOM 1180 CB ALA A 94 8.952 -12.597 19.393 1.00 14.56 C ATOM 1181 H ALA A 94 8.400 -10.352 20.293 1.00 16.08 H ATOM 1182 HA ALA A 94 10.386 -11.311 18.815 1.00 14.90 H ATOM 1183 HB1 ALA A 94 9.187 -13.301 18.769 1.00 17.47 H ATOM 1184 HB2 ALA A 94 9.389 -12.751 20.246 1.00 17.47 H ATOM 1185 HB3 ALA A 94 7.990 -12.569 19.515 1.00 17.47 H ATOM 1186 N CYS A 95 7.934 -10.281 17.092 1.00 11.48 N ATOM 1187 CA CYS A 95 7.533 -9.980 15.744 1.00 11.35 C ATOM 1188 C CYS A 95 8.319 -8.850 15.156 1.00 10.77 C ATOM 1189 O CYS A 95 8.163 -8.567 13.988 1.00 12.23 O ATOM 1190 CB CYS A 95 6.031 -9.614 15.706 1.00 11.14 C ATOM 1191 SG CYS A 95 5.044 -11.085 16.114 1.00 10.97 S ATOM 1192 H CYS A 95 7.427 -9.921 17.687 1.00 13.77 H ATOM 1193 HA CYS A 95 7.667 -10.770 15.198 1.00 13.62 H ATOM 1194 HB2 CYS A 95 5.845 -8.919 16.356 1.00 13.37 H ATOM 1195 HB3 CYS A 95 5.790 -9.310 14.817 1.00 13.37 H ATOM 1196 N HIS A 96 9.181 -8.220 15.956 1.00 12.43 N ATOM 1197 CA HIS A 96 9.943 -7.047 15.519 1.00 12.76 C ATOM 1198 C HIS A 96 9.059 -6.031 14.804 1.00 11.82 C ATOM 1199 O HIS A 96 9.331 -5.578 13.720 1.00 13.01 O ATOM 1200 CB HIS A 96 11.255 -7.379 14.736 1.00 16.04 C ATOM 1201 CG HIS A 96 11.102 -8.325 13.585 1.00 16.64 C ATOM 1202 ND1 HIS A 96 10.674 -7.909 12.349 1.00 16.32 N ATOM 1203 CD2 HIS A 96 11.449 -9.631 13.436 1.00 16.64 C ATOM 1204 CE1 HIS A 96 10.683 -8.941 11.494 1.00 17.18 C ATOM 1205 NE2 HIS A 96 11.131 -10.002 12.145 1.00 18.09 N ATOM 1206 H HIS A 96 9.344 -8.456 16.766 1.00 14.91 H ATOM 1207 HA HIS A 96 10.254 -6.622 16.334 1.00 15.32 H ATOM 1208 HB2 HIS A 96 11.616 -6.551 14.382 1.00 19.25 H ATOM 1209 HB3 HIS A 96 11.887 -7.778 15.354 1.00 19.25 H ATOM 1210 HD2 HIS A 96 11.832 -10.175 14.086 1.00 19.97 H ATOM 1211 HE1 HIS A 96 10.422 -8.916 10.602 1.00 20.62 H ATOM 1212 HD1 HIS A 96 10.412 -6.944 12.204 1.00 0.00 H ATOM 1213 N LEU A 97 8.024 -5.610 15.530 1.00 11.70 N ATOM 1214 CA LEU A 97 7.136 -4.561 15.038 1.00 10.81 C ATOM 1215 C LEU A 97 6.739 -3.660 16.190 1.00 10.76 C ATOM 1216 O LEU A 97 6.632 -4.116 17.340 1.00 10.31 O ATOM 1217 CB LEU A 97 5.780 -5.155 14.558 1.00 13.73 C ATOM 1218 CG LEU A 97 5.826 -5.995 13.270 1.00 14.82 C ATOM 1219 CD1 LEU A 97 4.481 -6.681 13.138 1.00 14.61 C ATOM 1220 CD2 LEU A 97 6.091 -5.213 12.082 1.00 14.89 C ATOM 1221 H LEU A 97 7.818 -5.915 16.307 1.00 14.04 H ATOM 1222 HA LEU A 97 7.603 -4.080 14.336 1.00 12.98 H ATOM 1223 HB2 LEU A 97 5.436 -5.728 15.261 1.00 16.48 H ATOM 1224 HB3 LEU A 97 5.168 -4.420 14.400 1.00 16.48 H ATOM 1225 HG LEU A 97 6.556 -6.631 13.331 1.00 17.78 H ATOM 1226 HD11 LEU A 97 4.456 -7.171 12.301 1.00 17.54 H ATOM 1227 HD12 LEU A 97 4.364 -7.292 13.883 1.00 17.54 H ATOM 1228 HD13 LEU A 97 3.781 -6.010 13.148 1.00 17.54 H ATOM 1229 HD21 LEU A 97 6.056 -5.795 11.306 1.00 17.87 H ATOM 1230 HD22 LEU A 97 5.419 -4.518 12.004 1.00 17.87 H ATOM 1231 HD23 LEU A 97 6.972 -4.814 12.156 1.00 17.87 H ATOM 1232 N SER A 98 6.511 -2.380 15.857 1.00 9.75 N ATOM 1233 CA SER A 98 5.744 -1.555 16.768 1.00 8.88 C ATOM 1234 C SER A 98 4.341 -2.159 16.915 1.00 9.73 C ATOM 1235 O SER A 98 3.716 -2.612 15.928 1.00 9.81 O ATOM 1236 CB SER A 98 5.587 -0.140 16.230 1.00 9.22 C ATOM 1237 OG SER A 98 4.651 0.634 16.967 1.00 10.73 O ATOM 1238 H SER A 98 6.783 -1.992 15.139 1.00 11.70 H ATOM 1239 HA SER A 98 6.203 -1.513 17.622 1.00 10.66 H ATOM 1240 HB2 SER A 98 6.450 0.301 16.271 1.00 11.06 H ATOM 1241 HB3 SER A 98 5.285 -0.194 15.310 1.00 11.06 H ATOM 1242 HG SER A 98 5.055 1.185 17.456 1.00 12.88 H ATOM 1243 N CYS A 99 3.766 -2.084 18.109 1.00 9.95 N ATOM 1244 CA CYS A 99 2.404 -2.543 18.233 1.00 9.99 C ATOM 1245 C CYS A 99 1.465 -1.722 17.370 1.00 10.66 C ATOM 1246 O CYS A 99 0.413 -2.236 17.032 1.00 9.93 O ATOM 1247 CB CYS A 99 1.979 -2.499 19.698 1.00 11.41 C ATOM 1248 SG CYS A 99 2.944 -3.660 20.799 1.00 10.48 S ATOM 1249 H CYS A 99 4.131 -1.784 18.827 1.00 11.94 H ATOM 1250 HA CYS A 99 2.346 -3.465 17.935 1.00 11.99 H ATOM 1251 HB2 CYS A 99 2.108 -1.598 20.033 1.00 13.69 H ATOM 1252 HB3 CYS A 99 1.042 -2.745 19.758 1.00 13.69 H ATOM 1253 N SER A 100 1.804 -0.487 17.030 1.00 10.50 N ATOM 1254 CA SER A 100 1.035 0.322 16.101 1.00 10.17 C ATOM 1255 C SER A 100 0.754 -0.416 14.789 1.00 10.06 C ATOM 1256 O SER A 100 -0.283 -0.213 14.167 1.00 9.66 O ATOM 1257 CB SER A 100 1.803 1.640 15.808 1.00 12.00 C ATOM 1258 OG SER A 100 1.106 2.473 14.856 0.81 10.66 O ATOM 1259 H SER A 100 2.499 -0.080 17.333 1.00 12.61 H ATOM 1260 HA SER A 100 0.181 0.532 16.511 1.00 12.21 H ATOM 1261 HB2 SER A 100 1.904 2.132 16.638 1.00 14.40 H ATOM 1262 HB3 SER A 100 2.676 1.417 15.447 1.00 14.40 H ATOM 1263 HG SER A 100 1.012 2.062 14.130 0.53 12.79 H ATOM 1264 N ALA A 101 1.708 -1.217 14.346 1.00 9.31 N ATOM 1265 CA ALA A 101 1.563 -1.936 13.083 1.00 8.37 C ATOM 1266 C ALA A 101 0.407 -2.911 13.149 1.00 9.03 C ATOM 1267 O ALA A 101 -0.143 -3.272 12.092 1.00 9.60 O ATOM 1268 CB ALA A 101 2.834 -2.670 12.783 1.00 9.66 C ATOM 1269 H ALA A 101 2.451 -1.365 14.754 1.00 11.18 H ATOM 1270 HA ALA A 101 1.398 -1.309 12.361 1.00 10.05 H ATOM 1271 HB1 ALA A 101 2.746 -3.115 11.925 1.00 11.59 H ATOM 1272 HB2 ALA A 101 3.566 -2.035 12.753 1.00 11.59 H ATOM 1273 HB3 ALA A 101 2.992 -3.325 13.480 1.00 11.59 H ATOM 1274 N LEU A 102 -0.024 -3.288 14.336 1.00 9.36 N ATOM 1275 CA LEU A 102 -1.079 -4.229 14.554 1.00 8.52 C ATOM 1276 C LEU A 102 -2.429 -3.548 14.663 1.00 9.70 C ATOM 1277 O LEU A 102 -3.447 -4.195 14.964 1.00 10.03 O ATOM 1278 CB LEU A 102 -0.797 -5.085 15.785 1.00 9.25 C ATOM 1279 CG LEU A 102 0.459 -5.872 15.763 1.00 10.45 C ATOM 1280 CD1 LEU A 102 0.653 -6.706 17.034 1.00 12.10 C ATOM 1281 CD2 LEU A 102 0.572 -6.764 14.578 1.00 13.25 C ATOM 1282 H LEU A 102 0.305 -2.988 15.072 1.00 11.23 H ATOM 1283 HA LEU A 102 -1.115 -4.841 13.802 1.00 10.22 H ATOM 1284 HB2 LEU A 102 -0.754 -4.498 16.557 1.00 11.10 H ATOM 1285 HB3 LEU A 102 -1.528 -5.714 15.888 1.00 11.10 H ATOM 1286 HG LEU A 102 1.168 -5.212 15.712 1.00 12.54 H ATOM 1287 HD11 LEU A 102 1.511 -7.156 16.988 1.00 14.53 H ATOM 1288 HD12 LEU A 102 0.629 -6.118 17.805 1.00 14.53 H ATOM 1289 HD13 LEU A 102 -0.060 -7.360 17.094 1.00 14.53 H ATOM 1290 HD21 LEU A 102 1.342 -7.342 14.691 1.00 15.91 H ATOM 1291 HD22 LEU A 102 -0.235 -7.297 14.506 1.00 15.91 H ATOM 1292 HD23 LEU A 102 0.681 -6.219 13.783 1.00 15.91 H ATOM 1293 N LEU A 103 -2.484 -2.232 14.373 1.00 7.98 N ATOM 1294 CA LEU A 103 -3.720 -1.460 14.417 1.00 9.82 C ATOM 1295 C LEU A 103 -4.066 -0.912 13.033 1.00 8.80 C ATOM 1296 O LEU A 103 -4.975 -0.078 12.915 1.00 8.91 O ATOM 1297 CB LEU A 103 -3.608 -0.324 15.446 1.00 9.08 C ATOM 1298 CG LEU A 103 -3.359 -0.848 16.853 1.00 9.07 C ATOM 1299 CD1 LEU A 103 -3.186 0.354 17.772 1.00 8.77 C ATOM 1300 CD2 LEU A 103 -4.503 -1.750 17.354 1.00 10.05 C ATOM 1301 H LEU A 103 -1.800 -1.765 14.145 1.00 9.58 H ATOM 1302 HA LEU A 103 -4.451 -2.026 14.711 1.00 11.79 H ATOM 1303 HB2 LEU A 103 -2.869 0.254 15.202 1.00 10.90 H ATOM 1304 HB3 LEU A 103 -4.436 0.181 15.453 1.00 10.90 H ATOM 1305 HG LEU A 103 -2.562 -1.401 16.859 1.00 10.88 H ATOM 1306 HD11 LEU A 103 -2.987 0.041 18.668 1.00 10.52 H ATOM 1307 HD12 LEU A 103 -2.455 0.901 17.443 1.00 10.52 H ATOM 1308 HD13 LEU A 103 -4.008 0.869 17.777 1.00 10.52 H ATOM 1309 HD21 LEU A 103 -4.362 -1.948 18.293 1.00 12.06 H ATOM 1310 HD22 LEU A 103 -5.347 -1.285 17.237 1.00 12.06 H ATOM 1311 HD23 LEU A 103 -4.505 -2.573 16.839 1.00 12.06 H ATOM 1312 N GLN A 104 -3.341 -1.342 12.010 1.00 8.46 N ATOM 1313 CA GLN A 104 -3.631 -0.932 10.634 1.00 10.12 C ATOM 1314 C GLN A 104 -4.868 -1.598 10.069 1.00 8.88 C ATOM 1315 O GLN A 104 -5.245 -2.728 10.406 1.00 9.94 O ATOM 1316 CB GLN A 104 -2.452 -1.246 9.731 1.00 8.54 C ATOM 1317 CG GLN A 104 -1.143 -0.503 10.051 1.00 11.27 C ATOM 1318 CD GLN A 104 -0.016 -0.997 9.180 1.00 11.19 C ATOM 1319 OE1 GLN A 104 0.175 -0.488 8.079 1.00 12.06 O ATOM 1320 NE2 GLN A 104 0.721 -1.932 9.647 1.00 11.25 N ATOM 1321 H GLN A 104 -2.670 -1.875 12.080 1.00 10.15 H ATOM 1322 HA GLN A 104 -3.795 0.024 10.644 1.00 12.14 H ATOM 1323 HB2 GLN A 104 -2.266 -2.196 9.794 1.00 10.25 H ATOM 1324 HB3 GLN A 104 -2.698 -1.016 8.821 1.00 10.25 H ATOM 1325 HG2 GLN A 104 -1.262 0.446 9.891 1.00 13.52 H ATOM 1326 HG3 GLN A 104 -0.904 -0.655 10.979 1.00 13.52 H ATOM 1327 HE21 GLN A 104 0.564 -2.254 10.429 1.00 13.50 H ATOM 1328 HE22 GLN A 104 1.373 -2.240 9.178 1.00 13.50 H ATOM 1329 N ASP A 105 -5.490 -0.954 9.090 1.00 10.21 N ATOM 1330 CA ASP A 105 -6.575 -1.600 8.337 1.00 10.20 C ATOM 1331 C ASP A 105 -6.009 -2.724 7.482 1.00 9.69 C ATOM 1332 O ASP A 105 -6.666 -3.746 7.284 1.00 9.99 O ATOM 1333 CB ASP A 105 -7.266 -0.611 7.396 1.00 9.02 C ATOM 1334 CG ASP A 105 -8.354 0.239 8.056 1.00 11.89 C ATOM 1335 OD1 ASP A 105 -8.554 0.167 9.281 1.00 10.87 O ATOM 1336 OD2 ASP A 105 -9.008 0.990 7.267 1.00 11.92 O1- ATOM 1337 H ASP A 105 -5.311 -0.151 8.839 1.00 12.25 H ATOM 1338 HA ASP A 105 -7.227 -1.930 8.975 1.00 12.24 H ATOM 1339 HB2 ASP A 105 -6.597 -0.005 7.040 1.00 10.83 H ATOM 1340 HB3 ASP A 105 -7.681 -1.109 6.675 1.00 10.83 H ATOM 1341 N ASN A 106 -4.790 -2.527 6.939 1.00 9.57 N ATOM 1342 CA ASN A 106 -4.099 -3.557 6.181 1.00 10.31 C ATOM 1343 C ASN A 106 -3.524 -4.537 7.188 1.00 10.00 C ATOM 1344 O ASN A 106 -2.699 -4.157 8.005 1.00 9.83 O ATOM 1345 CB ASN A 106 -3.031 -2.938 5.311 1.00 12.45 C ATOM 1346 CG ASN A 106 -2.286 -4.016 4.469 1.00 12.78 C ATOM 1347 OD1 ASN A 106 -1.713 -4.851 4.941 1.00 13.71 O ATOM 1348 ND2 ASN A 106 -2.564 -4.062 3.153 1.00 17.56 N ATOM 1349 H ASN A 106 -4.348 -1.792 7.003 1.00 11.48 H ATOM 1350 HA ASN A 106 -4.700 -4.030 5.585 1.00 12.37 H ATOM 1351 HB2 ASN A 106 -3.441 -2.304 4.702 1.00 14.94 H ATOM 1352 HB3 ASN A 106 -2.382 -2.486 5.872 1.00 14.94 H ATOM 1353 HD21 ASN A 106 -3.131 -3.511 2.814 1.00 21.08 H ATOM 1354 HD22 ASN A 106 -2.175 -4.642 2.651 1.00 21.08 H ATOM 1355 N ILE A 107 -3.918 -5.808 7.126 1.00 8.62 N ATOM 1356 CA ILE A 107 -3.516 -6.809 8.113 1.00 9.62 C ATOM 1357 C ILE A 107 -2.253 -7.566 7.752 1.00 8.55 C ATOM 1358 O ILE A 107 -1.930 -8.559 8.436 1.00 10.02 O ATOM 1359 CB ILE A 107 -4.700 -7.754 8.425 1.00 10.36 C ATOM 1360 CG1 ILE A 107 -5.051 -8.644 7.235 1.00 9.43 C ATOM 1361 CG2 ILE A 107 -5.910 -6.937 8.974 1.00 10.57 C ATOM 1362 CD1 ILE A 107 -6.056 -9.739 7.682 1.00 12.80 C ATOM 1363 H ILE A 107 -4.429 -6.122 6.509 1.00 10.35 H ATOM 1364 HA ILE A 107 -3.261 -6.323 8.913 1.00 11.54 H ATOM 1365 HB ILE A 107 -4.429 -8.369 9.125 1.00 12.44 H ATOM 1366 HG12 ILE A 107 -5.460 -8.110 6.536 1.00 11.31 H ATOM 1367 HG13 ILE A 107 -4.249 -9.073 6.898 1.00 11.31 H ATOM 1368 HG21 ILE A 107 -6.579 -7.552 9.313 1.00 12.68 H ATOM 1369 HG22 ILE A 107 -5.601 -6.358 9.689 1.00 12.68 H ATOM 1370 HG23 ILE A 107 -6.283 -6.404 8.255 1.00 12.68 H ATOM 1371 HD11 ILE A 107 -6.171 -10.376 6.960 1.00 15.36 H ATOM 1372 HD12 ILE A 107 -5.705 -10.188 8.467 1.00 15.36 H ATOM 1373 HD13 ILE A 107 -6.906 -9.321 7.892 1.00 15.36 H ATOM 1374 N ALA A 108 -1.539 -7.188 6.709 1.00 9.51 N ATOM 1375 CA ALA A 108 -0.323 -7.930 6.370 1.00 9.45 C ATOM 1376 C ALA A 108 0.643 -8.051 7.551 1.00 8.41 C ATOM 1377 O ALA A 108 1.161 -9.149 7.827 1.00 8.70 O ATOM 1378 CB ALA A 108 0.353 -7.301 5.169 1.00 10.19 C ATOM 1379 H ALA A 108 -1.723 -6.526 6.192 1.00 11.41 H ATOM 1380 HA ALA A 108 -0.583 -8.834 6.131 1.00 11.35 H ATOM 1381 HB1 ALA A 108 1.124 -7.835 4.925 1.00 12.24 H ATOM 1382 HB2 ALA A 108 -0.277 -7.271 4.431 1.00 12.24 H ATOM 1383 HB3 ALA A 108 0.633 -6.401 5.400 1.00 12.24 H ATOM 1384 N ASP A 109 0.916 -6.986 8.241 1.00 9.78 N ATOM 1385 CA ASP A 109 1.867 -7.046 9.361 1.00 10.20 C ATOM 1386 C ASP A 109 1.320 -7.904 10.501 1.00 8.65 C ATOM 1387 O ASP A 109 2.080 -8.681 11.122 1.00 9.23 O ATOM 1388 CB ASP A 109 2.241 -5.652 9.882 1.00 9.57 C ATOM 1389 CG ASP A 109 3.109 -4.847 8.927 1.00 15.18 C ATOM 1390 OD1 ASP A 109 3.913 -5.393 8.196 1.00 16.63 O ATOM 1391 OD2 ASP A 109 2.997 -3.609 8.915 1.00 15.92 O1- ATOM 1392 H ASP A 109 0.578 -6.208 8.101 1.00 11.73 H ATOM 1393 HA ASP A 109 2.683 -7.446 9.023 1.00 12.24 H ATOM 1394 HB2 ASP A 109 1.427 -5.148 10.036 1.00 11.48 H ATOM 1395 HB3 ASP A 109 2.732 -5.752 10.713 1.00 11.48 H ATOM 1396 N ALA A 110 0.022 -7.779 10.825 1.00 9.24 N ATOM 1397 CA ALA A 110 -0.590 -8.603 11.829 1.00 9.17 C ATOM 1398 C ALA A 110 -0.529 -10.075 11.471 1.00 9.17 C ATOM 1399 O ALA A 110 -0.305 -10.915 12.366 1.00 9.72 O ATOM 1400 CB ALA A 110 -2.014 -8.125 12.060 1.00 10.40 C ATOM 1401 H ALA A 110 -0.516 -7.213 10.464 1.00 11.08 H ATOM 1402 HA ALA A 110 -0.106 -8.513 12.664 1.00 11.00 H ATOM 1403 HB1 ALA A 110 -2.424 -8.672 12.748 1.00 12.49 H ATOM 1404 HB2 ALA A 110 -1.994 -7.197 12.343 1.00 12.49 H ATOM 1405 HB3 ALA A 110 -2.513 -8.206 11.232 1.00 12.49 H ATOM 1406 N VAL A 111 -0.739 -10.422 10.182 1.00 8.70 N ATOM 1407 CA VAL A 111 -0.615 -11.804 9.725 1.00 8.89 C ATOM 1408 C VAL A 111 0.822 -12.284 9.865 1.00 9.74 C ATOM 1409 O VAL A 111 1.062 -13.413 10.309 1.00 9.50 O ATOM 1410 CB VAL A 111 -1.136 -11.925 8.269 1.00 8.70 C ATOM 1411 CG1 VAL A 111 -0.590 -13.173 7.602 1.00 11.78 C ATOM 1412 CG2 VAL A 111 -2.660 -11.909 8.326 1.00 10.83 C ATOM 1413 H VAL A 111 -0.954 -9.870 9.559 1.00 10.44 H ATOM 1414 HA VAL A 111 -1.165 -12.374 10.286 1.00 10.67 H ATOM 1415 HB VAL A 111 -0.831 -11.185 7.721 1.00 10.44 H ATOM 1416 HG11 VAL A 111 -1.111 -13.358 6.805 1.00 14.14 H ATOM 1417 HG12 VAL A 111 0.338 -13.024 7.364 1.00 14.14 H ATOM 1418 HG13 VAL A 111 -0.658 -13.917 8.221 1.00 14.14 H ATOM 1419 HG21 VAL A 111 -3.010 -11.941 7.423 1.00 13.00 H ATOM 1420 HG22 VAL A 111 -2.965 -12.683 8.826 1.00 13.00 H ATOM 1421 HG23 VAL A 111 -2.951 -11.095 8.766 1.00 13.00 H ATOM 1422 N ALA A 112 1.806 -11.474 9.483 1.00 9.00 N ATOM 1423 CA ALA A 112 3.208 -11.844 9.662 1.00 10.85 C ATOM 1424 C ALA A 112 3.512 -12.108 11.122 1.00 9.56 C ATOM 1425 O ALA A 112 4.165 -13.122 11.477 1.00 9.49 O ATOM 1426 CB ALA A 112 4.145 -10.757 9.113 1.00 10.85 C ATOM 1427 H ALA A 112 1.690 -10.704 9.116 1.00 10.81 H ATOM 1428 HA ALA A 112 3.375 -12.653 9.154 1.00 13.02 H ATOM 1429 HB1 ALA A 112 5.065 -11.025 9.268 1.00 13.03 H ATOM 1430 HB2 ALA A 112 3.986 -10.654 8.162 1.00 13.03 H ATOM 1431 HB3 ALA A 112 3.963 -9.922 9.571 1.00 13.03 H ATOM 1432 N CYS A 113 2.920 -11.335 12.018 1.00 9.07 N ATOM 1433 CA CYS A 113 3.143 -11.557 13.430 1.00 9.79 C ATOM 1434 C CYS A 113 2.414 -12.800 13.931 1.00 9.18 C ATOM 1435 O CYS A 113 2.979 -13.569 14.745 1.00 9.46 O ATOM 1436 CB CYS A 113 2.683 -10.312 14.187 1.00 9.93 C ATOM 1437 SG CYS A 113 3.155 -10.340 15.976 1.00 10.00 S ATOM 1438 H CYS A 113 2.391 -10.683 11.835 1.00 10.88 H ATOM 1439 HA CYS A 113 4.088 -11.701 13.595 1.00 11.75 H ATOM 1440 HB2 CYS A 113 3.089 -9.529 13.783 1.00 11.92 H ATOM 1441 HB3 CYS A 113 1.716 -10.249 14.133 1.00 11.92 H ATOM 1442 N ALA A 114 1.158 -13.002 13.503 1.00 9.17 N ATOM 1443 CA ALA A 114 0.453 -14.230 13.860 1.00 8.24 C ATOM 1444 C ALA A 114 1.248 -15.445 13.412 1.00 8.32 C ATOM 1445 O ALA A 114 1.256 -16.493 14.096 1.00 9.53 O ATOM 1446 CB ALA A 114 -0.940 -14.211 13.243 1.00 9.48 C ATOM 1447 H ALA A 114 0.706 -12.454 13.017 1.00 11.00 H ATOM 1448 HA ALA A 114 0.344 -14.287 14.822 1.00 9.89 H ATOM 1449 HB1 ALA A 114 -1.411 -15.019 13.502 1.00 11.38 H ATOM 1450 HB2 ALA A 114 -1.418 -13.431 13.565 1.00 11.38 H ATOM 1451 HB3 ALA A 114 -0.857 -14.173 12.277 1.00 11.38 H ATOM 1452 N LYS A 115 1.809 -15.410 12.197 1.00 8.30 N ATOM 1453 CA LYS A 115 2.633 -16.536 11.737 1.00 10.02 C ATOM 1454 C LYS A 115 3.850 -16.742 12.664 1.00 10.24 C ATOM 1455 O LYS A 115 4.203 -17.896 12.978 1.00 11.29 O ATOM 1456 CB LYS A 115 3.129 -16.328 10.298 1.00 10.22 C ATOM 1457 CG LYS A 115 2.035 -16.387 9.222 1.00 9.36 C ATOM 1458 CD LYS A 115 2.563 -16.072 7.845 1.00 11.87 C ATOM 1459 CE LYS A 115 1.462 -16.146 6.785 1.00 10.41 C ATOM 1460 NZ LYS A 115 1.978 -15.674 5.470 1.00 11.02 N1+ ATOM 1461 H LYS A 115 1.730 -14.765 11.634 1.00 9.96 H ATOM 1462 HA LYS A 115 2.072 -17.327 11.747 1.00 12.03 H ATOM 1463 HB2 LYS A 115 3.548 -15.455 10.240 1.00 12.27 H ATOM 1464 HB3 LYS A 115 3.777 -17.021 10.093 1.00 12.27 H ATOM 1465 HG2 LYS A 115 1.656 -17.281 9.203 1.00 11.24 H ATOM 1466 HG3 LYS A 115 1.345 -15.740 9.435 1.00 11.24 H ATOM 1467 HD2 LYS A 115 2.929 -15.175 7.840 1.00 14.25 H ATOM 1468 HD3 LYS A 115 3.252 -16.714 7.612 1.00 14.25 H ATOM 1469 HE2 LYS A 115 1.163 -17.064 6.690 1.00 12.50 H ATOM 1470 HE3 LYS A 115 0.719 -15.581 7.048 1.00 12.50 H ATOM 1471 HZ1 LYS A 115 1.301 -15.418 4.951 1.00 13.22 H ATOM 1472 HZ2 LYS A 115 2.529 -14.985 5.588 1.00 13.22 H ATOM 1473 HZ3 LYS A 115 2.421 -16.330 5.063 1.00 13.22 H ATOM 1474 N ARG A 116 4.500 -15.672 13.102 1.00 9.48 N ATOM 1475 CA ARG A 116 5.583 -15.764 14.084 1.00 9.67 C ATOM 1476 C ARG A 116 5.126 -16.411 15.384 1.00 9.63 C ATOM 1477 O ARG A 116 5.817 -17.284 15.937 1.00 10.22 O ATOM 1478 CB ARG A 116 6.168 -14.368 14.317 1.00 9.57 C ATOM 1479 CG ARG A 116 7.154 -14.329 15.428 1.00 11.48 C ATOM 1480 CD ARG A 116 8.385 -15.202 15.161 1.00 13.07 C ATOM 1481 NE ARG A 116 9.382 -15.219 16.234 1.00 13.10 N ATOM 1482 CZ ARG A 116 9.345 -16.024 17.260 1.00 14.69 C ATOM 1483 NH1 ARG A 116 8.366 -16.909 17.378 1.00 14.97 N ATOM 1484 NH2 ARG A 116 10.311 -16.026 18.174 1.00 15.90 N1+ ATOM 1485 H ARG A 116 4.336 -14.868 12.847 1.00 11.38 H ATOM 1486 HA ARG A 116 6.286 -16.333 13.733 1.00 11.61 H ATOM 1487 HB2 ARG A 116 6.616 -14.076 13.509 1.00 11.49 H ATOM 1488 HB3 ARG A 116 5.446 -13.758 14.536 1.00 11.49 H ATOM 1489 HG2 ARG A 116 7.456 -13.415 15.551 1.00 13.78 H ATOM 1490 HG3 ARG A 116 6.729 -14.650 16.239 1.00 13.78 H ATOM 1491 HD2 ARG A 116 8.089 -16.116 15.027 1.00 15.69 H ATOM 1492 HD3 ARG A 116 8.825 -14.875 14.362 1.00 15.69 H ATOM 1493 HE ARG A 116 10.034 -14.661 16.184 1.00 15.72 H ATOM 1494 HH11 ARG A 116 7.752 -16.953 16.778 1.00 17.96 H ATOM 1495 HH12 ARG A 116 8.345 -17.438 18.055 1.00 17.96 H ATOM 1496 HH21 ARG A 116 10.978 -15.488 18.096 1.00 19.09 H ATOM 1497 HH22 ARG A 116 10.269 -16.564 18.843 1.00 19.09 H ATOM 1498 N VAL A 117 3.955 -16.039 15.895 1.00 10.04 N ATOM 1499 CA VAL A 117 3.420 -16.654 17.078 1.00 9.69 C ATOM 1500 C VAL A 117 3.392 -18.162 16.922 1.00 9.91 C ATOM 1501 O VAL A 117 3.823 -18.906 17.815 1.00 10.36 O ATOM 1502 CB VAL A 117 2.025 -16.100 17.418 1.00 9.31 C ATOM 1503 CG1 VAL A 117 1.397 -16.888 18.576 1.00 10.50 C ATOM 1504 CG2 VAL A 117 2.113 -14.631 17.763 1.00 10.65 C ATOM 1505 H VAL A 117 3.453 -15.424 15.564 1.00 12.05 H ATOM 1506 HA VAL A 117 4.007 -16.433 17.818 1.00 11.63 H ATOM 1507 HB VAL A 117 1.451 -16.198 16.642 1.00 11.18 H ATOM 1508 HG11 VAL A 117 0.631 -16.398 18.913 1.00 12.60 H ATOM 1509 HG12 VAL A 117 1.116 -17.758 18.250 1.00 12.60 H ATOM 1510 HG13 VAL A 117 2.057 -16.996 19.279 1.00 12.60 H ATOM 1511 HG21 VAL A 117 1.217 -14.284 17.899 1.00 12.78 H ATOM 1512 HG22 VAL A 117 2.634 -14.528 18.575 1.00 12.78 H ATOM 1513 HG23 VAL A 117 2.543 -14.160 17.032 1.00 12.78 H ATOM 1514 N VAL A 118 2.854 -18.662 15.801 1.00 9.55 N ATOM 1515 CA VAL A 118 2.617 -20.112 15.631 1.00 9.79 C ATOM 1516 C VAL A 118 3.842 -20.851 15.156 1.00 12.11 C ATOM 1517 O VAL A 118 3.770 -22.087 15.000 1.00 14.05 O ATOM 1518 CB VAL A 118 1.296 -20.341 14.852 1.00 10.63 C ATOM 1519 CG1 VAL A 118 0.145 -19.666 15.474 1.00 10.53 C ATOM 1520 CG2 VAL A 118 1.524 -20.050 13.364 1.00 10.71 C ATOM 1521 H VAL A 118 2.618 -18.187 15.124 1.00 11.47 H ATOM 1522 HA VAL A 118 2.450 -20.557 16.477 1.00 11.75 H ATOM 1523 HB VAL A 118 1.034 -21.273 14.902 1.00 12.75 H ATOM 1524 HG11 VAL A 118 -0.668 -19.962 15.037 1.00 12.64 H ATOM 1525 HG12 VAL A 118 0.117 -19.893 16.417 1.00 12.64 H ATOM 1526 HG13 VAL A 118 0.247 -18.707 15.368 1.00 12.64 H ATOM 1527 HG21 VAL A 118 0.690 -20.176 12.886 1.00 12.85 H ATOM 1528 HG22 VAL A 118 1.828 -19.134 13.264 1.00 12.85 H ATOM 1529 HG23 VAL A 118 2.196 -20.661 13.022 1.00 12.85 H ATOM 1530 N ARG A 119 4.973 -20.205 14.973 1.00 12.54 N ATOM 1531 CA ARG A 119 6.244 -20.925 14.827 1.00 12.51 C ATOM 1532 C ARG A 119 6.767 -21.379 16.171 1.00 15.43 C ATOM 1533 O ARG A 119 7.714 -22.172 16.221 1.00 18.07 O ATOM 1534 CB ARG A 119 7.272 -20.040 14.055 1.00 11.66 C ATOM 1535 CG ARG A 119 6.992 -19.854 12.569 1.00 12.03 C ATOM 1536 CD ARG A 119 8.091 -19.344 11.805 1.00 12.02 C ATOM 1537 NE ARG A 119 8.386 -17.913 11.980 1.00 13.89 N ATOM 1538 CZ ARG A 119 7.792 -16.916 11.343 1.00 11.69 C ATOM 1539 NH1 ARG A 119 6.804 -17.123 10.542 1.00 14.71 N ATOM 1540 NH2 ARG A 119 8.270 -15.698 11.487 1.00 15.09 N1+ ATOM 1541 H ARG A 119 5.043 -19.349 14.927 1.00 15.05 H ATOM 1542 HA ARG A 119 6.134 -21.720 14.282 1.00 15.01 H ATOM 1543 HB2 ARG A 119 7.280 -19.159 14.460 1.00 14.00 H ATOM 1544 HB3 ARG A 119 8.148 -20.450 14.135 1.00 14.00 H ATOM 1545 HG2 ARG A 119 6.752 -20.715 12.191 1.00 14.44 H ATOM 1546 HG3 ARG A 119 6.256 -19.231 12.470 1.00 14.44 H ATOM 1547 HD2 ARG A 119 8.889 -19.833 12.057 1.00 14.43 H ATOM 1548 HD3 ARG A 119 7.898 -19.483 10.865 1.00 14.43 H ATOM 1549 HE ARG A 119 8.999 -17.706 12.547 1.00 16.67 H ATOM 1550 HH11 ARG A 119 6.517 -17.923 10.411 1.00 17.66 H ATOM 1551 HH12 ARG A 119 6.432 -16.461 10.138 1.00 17.66 H ATOM 1552 HH21 ARG A 119 8.956 -15.562 11.988 1.00 18.11 H ATOM 1553 HH22 ARG A 119 7.897 -15.039 11.081 1.00 18.11 H ATOM 1554 N ASP A 120 6.216 -20.904 17.240 1.00 12.51 N ATOM 1555 CA ASP A 120 6.600 -21.423 18.551 1.00 11.52 C ATOM 1556 C ASP A 120 5.774 -22.657 18.938 1.00 12.97 C ATOM 1557 O ASP A 120 4.784 -23.008 18.298 1.00 14.38 O ATOM 1558 CB ASP A 120 6.444 -20.335 19.615 1.00 12.81 C ATOM 1559 CG ASP A 120 7.629 -19.362 19.609 1.00 13.64 C ATOM 1560 OD1 ASP A 120 8.552 -19.513 18.823 1.00 19.70 O ATOM 1561 OD2 ASP A 120 7.677 -18.456 20.398 1.00 20.12 O1- ATOM 1562 H ASP A 120 5.619 -20.285 17.254 1.00 15.01 H ATOM 1563 HA ASP A 120 7.531 -21.693 18.519 1.00 13.83 H ATOM 1564 HB2 ASP A 120 5.635 -19.830 19.440 1.00 15.37 H ATOM 1565 HB3 ASP A 120 6.394 -20.749 20.491 1.00 15.37 H ATOM 1566 N PRO A 121 6.247 -23.409 19.920 1.00 13.74 N ATOM 1567 CA PRO A 121 5.666 -24.730 20.205 1.00 13.99 C ATOM 1568 C PRO A 121 4.164 -24.815 20.377 1.00 11.78 C ATOM 1569 O PRO A 121 3.528 -25.743 19.864 1.00 13.07 O ATOM 1570 CB PRO A 121 6.401 -25.135 21.495 1.00 15.60 C ATOM 1571 CG PRO A 121 7.715 -24.529 21.368 1.00 17.76 C ATOM 1572 CD PRO A 121 7.455 -23.164 20.727 1.00 14.86 C ATOM 1573 HA PRO A 121 5.895 -25.310 19.462 1.00 16.79 H ATOM 1574 HB2 PRO A 121 5.930 -24.788 22.268 1.00 18.73 H ATOM 1575 HB3 PRO A 121 6.466 -26.101 21.551 1.00 18.73 H ATOM 1576 HG2 PRO A 121 8.120 -24.430 22.243 1.00 21.31 H ATOM 1577 HG3 PRO A 121 8.279 -25.077 20.801 1.00 21.31 H ATOM 1578 HD2 PRO A 121 7.291 -22.488 21.403 1.00 17.83 H ATOM 1579 HD3 PRO A 121 8.200 -22.897 20.165 1.00 17.83 H ATOM 1580 N GLN A 122 3.553 -23.883 21.050 1.00 11.85 N ATOM 1581 CA GLN A 122 2.118 -23.974 21.287 1.00 11.58 C ATOM 1582 C GLN A 122 1.286 -23.770 20.034 1.00 12.78 C ATOM 1583 O GLN A 122 0.097 -24.109 20.014 1.00 11.76 O ATOM 1584 CB GLN A 122 1.716 -22.824 22.228 1.00 17.30 C ATOM 1585 CG GLN A 122 2.013 -23.037 23.693 1.00 20.46 C ATOM 1586 CD GLN A 122 1.349 -21.887 24.517 1.00 19.77 C ATOM 1587 OE1 GLN A 122 1.945 -20.680 24.466 1.00 28.97 O ATOM 1588 NE2 GLN A 122 0.311 -22.087 25.127 1.00 28.39 N ATOM 1589 H GLN A 122 3.932 -23.187 21.384 1.00 14.22 H ATOM 1590 HA GLN A 122 1.935 -24.850 21.661 1.00 13.90 H ATOM 1591 HB2 GLN A 122 2.193 -22.026 21.952 1.00 20.76 H ATOM 1592 HB3 GLN A 122 0.760 -22.685 22.146 1.00 20.76 H ATOM 1593 HG2 GLN A 122 1.647 -23.887 23.985 1.00 24.56 H ATOM 1594 HG3 GLN A 122 2.972 -23.020 23.842 1.00 24.56 H ATOM 1595 HE21 GLN A 122 -0.123 -22.999 25.101 1.00 34.06 H ATOM 1596 HE22 GLN A 122 -0.114 -21.341 25.658 1.00 34.06 H ATOM 1597 N GLY A 123 1.830 -23.167 19.002 1.00 11.44 N ATOM 1598 CA GLY A 123 1.017 -22.964 17.824 1.00 11.54 C ATOM 1599 C GLY A 123 -0.160 -22.068 18.184 1.00 12.67 C ATOM 1600 O GLY A 123 -0.013 -21.114 18.899 1.00 12.65 O ATOM 1601 H GLY A 123 2.638 -22.876 18.957 1.00 13.73 H ATOM 1602 HA2 GLY A 123 1.539 -22.540 17.126 1.00 13.85 H ATOM 1603 HA3 GLY A 123 0.683 -23.814 17.497 1.00 13.85 H ATOM 1604 N ILE A 124 -1.303 -22.373 17.580 1.00 14.00 N ATOM 1605 CA ILE A 124 -2.498 -21.508 17.787 1.00 13.78 C ATOM 1606 C ILE A 124 -2.982 -21.534 19.212 1.00 12.99 C ATOM 1607 O ILE A 124 -3.771 -20.705 19.591 1.00 13.89 O ATOM 1608 CB ILE A 124 -3.565 -21.978 16.775 1.00 16.41 C ATOM 1609 CG1 ILE A 124 -4.838 -21.145 16.516 1.00 24.60 C ATOM 1610 CG2 ILE A 124 -4.045 -23.322 17.065 1.00 16.71 C ATOM 1611 CD1 ILE A 124 -4.549 -19.930 15.939 1.00 22.60 C ATOM 1612 H ILE A 124 -1.426 -23.047 17.060 1.00 16.81 H ATOM 1613 HA ILE A 124 -2.288 -20.575 17.622 1.00 16.54 H ATOM 1614 HB ILE A 124 -3.022 -21.883 15.976 1.00 19.69 H ATOM 1615 HG12 ILE A 124 -5.422 -21.635 15.916 1.00 29.52 H ATOM 1616 HG13 ILE A 124 -5.289 -20.982 17.359 1.00 29.52 H ATOM 1617 HG21 ILE A 124 -4.618 -23.616 16.340 1.00 20.05 H ATOM 1618 HG22 ILE A 124 -3.284 -23.918 17.148 1.00 20.05 H ATOM 1619 HG23 ILE A 124 -4.544 -23.307 17.897 1.00 20.05 H ATOM 1620 HD11 ILE A 124 -5.380 -19.463 15.755 1.00 27.12 H ATOM 1621 HD12 ILE A 124 -4.007 -19.410 16.552 1.00 27.12 H ATOM 1622 HD13 ILE A 124 -4.064 -20.079 15.113 1.00 27.12 H ATOM 1623 N ARG A 125 -2.557 -22.530 20.009 1.00 11.84 N ATOM 1624 CA ARG A 125 -2.915 -22.548 21.411 1.00 11.69 C ATOM 1625 C ARG A 125 -2.342 -21.402 22.192 1.00 14.55 C ATOM 1626 O ARG A 125 -2.741 -21.200 23.337 1.00 15.07 O ATOM 1627 CB ARG A 125 -2.421 -23.892 22.001 1.00 11.98 C ATOM 1628 CG ARG A 125 -3.278 -25.036 21.616 1.00 13.07 C ATOM 1629 CD ARG A 125 -2.514 -26.429 21.636 1.00 16.93 C ATOM 1630 NE ARG A 125 -3.427 -27.583 21.556 1.00 15.42 N ATOM 1631 CZ ARG A 125 -4.014 -28.025 20.443 1.00 14.32 C ATOM 1632 NH1 ARG A 125 -3.782 -27.480 19.251 1.00 14.07 N ATOM 1633 NH2 ARG A 125 -4.838 -29.060 20.456 1.00 17.04 N1+ ATOM 1634 H ARG A 125 -2.068 -23.190 19.754 1.00 14.21 H ATOM 1635 HA ARG A 125 -3.878 -22.483 21.504 1.00 14.03 H ATOM 1636 HB2 ARG A 125 -1.523 -24.067 21.678 1.00 14.37 H ATOM 1637 HB3 ARG A 125 -2.419 -23.830 22.969 1.00 14.37 H ATOM 1638 HG2 ARG A 125 -4.021 -25.096 22.237 1.00 15.69 H ATOM 1639 HG3 ARG A 125 -3.610 -24.892 20.716 1.00 15.69 H ATOM 1640 HD2 ARG A 125 -1.913 -26.470 20.876 1.00 20.32 H ATOM 1641 HD3 ARG A 125 -2.011 -26.501 22.462 1.00 20.32 H ATOM 1642 HE ARG A 125 -3.594 -28.006 22.286 1.00 18.50 H ATOM 1643 HH11 ARG A 125 -3.237 -26.818 19.180 1.00 16.88 H ATOM 1644 HH12 ARG A 125 -4.177 -27.789 18.552 1.00 16.88 H ATOM 1645 HH21 ARG A 125 -5.007 -29.467 21.194 1.00 20.45 H ATOM 1646 HH22 ARG A 125 -5.205 -29.327 19.725 1.00 20.45 H ATOM 1647 N ALA A 126 -1.448 -20.623 21.592 1.00 13.46 N ATOM 1648 CA ALA A 126 -0.939 -19.442 22.284 1.00 13.00 C ATOM 1649 C ALA A 126 -2.040 -18.476 22.702 1.00 11.89 C ATOM 1650 O ALA A 126 -1.856 -17.730 23.648 1.00 14.23 O ATOM 1651 CB ALA A 126 0.050 -18.669 21.382 1.00 15.93 C ATOM 1652 H ALA A 126 -1.127 -20.752 20.805 1.00 16.15 H ATOM 1653 HA ALA A 126 -0.483 -19.762 23.078 1.00 15.60 H ATOM 1654 HB1 ALA A 126 0.396 -17.907 21.874 1.00 19.11 H ATOM 1655 HB2 ALA A 126 0.778 -19.259 21.132 1.00 19.11 H ATOM 1656 HB3 ALA A 126 -0.417 -18.365 20.588 1.00 19.11 H ATOM 1657 N TRP A 127 -3.139 -18.380 21.973 1.00 11.38 N ATOM 1658 CA TRP A 127 -4.275 -17.560 22.330 1.00 11.15 C ATOM 1659 C TRP A 127 -5.310 -18.350 23.100 1.00 10.48 C ATOM 1660 O TRP A 127 -5.913 -19.278 22.575 1.00 11.09 O ATOM 1661 CB TRP A 127 -4.911 -17.066 21.043 1.00 10.79 C ATOM 1662 CG TRP A 127 -4.179 -16.034 20.211 1.00 10.01 C ATOM 1663 CD1 TRP A 127 -4.243 -14.683 20.360 1.00 11.31 C ATOM 1664 CD2 TRP A 127 -3.331 -16.274 19.080 1.00 10.64 C ATOM 1665 NE1 TRP A 127 -3.489 -14.073 19.423 1.00 11.70 N ATOM 1666 CE2 TRP A 127 -2.941 -15.016 18.588 1.00 10.77 C ATOM 1667 CE3 TRP A 127 -2.886 -17.413 18.414 1.00 9.07 C ATOM 1668 CZ2 TRP A 127 -2.101 -14.890 17.421 1.00 10.87 C ATOM 1669 CZ3 TRP A 127 -2.120 -17.303 17.312 1.00 10.65 C ATOM 1670 CH2 TRP A 127 -1.735 -16.077 16.790 1.00 10.80 C ATOM 1671 H TRP A 127 -3.253 -18.802 21.232 1.00 13.66 H ATOM 1672 HA TRP A 127 -3.977 -16.834 22.901 1.00 13.38 H ATOM 1673 HB2 TRP A 127 -5.042 -17.836 20.468 1.00 12.95 H ATOM 1674 HB3 TRP A 127 -5.767 -16.673 21.273 1.00 12.95 H ATOM 1675 HD1 TRP A 127 -4.736 -14.244 21.015 1.00 13.57 H ATOM 1676 HE1 TRP A 127 -3.369 -13.224 19.358 1.00 14.04 H ATOM 1677 HE3 TRP A 127 -3.120 -18.255 18.732 1.00 10.88 H ATOM 1678 HZ2 TRP A 127 -1.819 -14.061 17.107 1.00 13.04 H ATOM 1679 HZ3 TRP A 127 -1.837 -18.080 16.885 1.00 12.78 H ATOM 1680 HH2 TRP A 127 -1.228 -16.047 16.011 1.00 12.96 H ATOM 1681 N VAL A 128 -5.563 -17.961 24.334 1.00 12.74 N ATOM 1682 CA VAL A 128 -6.501 -18.717 25.144 1.00 10.43 C ATOM 1683 C VAL A 128 -7.903 -18.649 24.590 1.00 11.58 C ATOM 1684 O VAL A 128 -8.672 -19.626 24.708 1.00 11.77 O ATOM 1685 CB VAL A 128 -6.412 -18.320 26.637 1.00 16.00 C ATOM 1686 CG1 VAL A 128 -6.847 -16.894 26.874 1.00 24.69 C ATOM 1687 CG2 VAL A 128 -7.233 -19.301 27.482 1.00 19.49 C ATOM 1688 H VAL A 128 -5.214 -17.277 24.721 1.00 15.29 H ATOM 1689 HA VAL A 128 -6.238 -19.650 25.098 1.00 12.52 H ATOM 1690 HB VAL A 128 -5.483 -18.368 26.913 1.00 19.20 H ATOM 1691 HG11 VAL A 128 -6.719 -16.676 27.810 1.00 29.62 H ATOM 1692 HG12 VAL A 128 -6.312 -16.304 26.320 1.00 29.62 H ATOM 1693 HG13 VAL A 128 -7.784 -16.807 26.640 1.00 29.62 H ATOM 1694 HG21 VAL A 128 -7.096 -19.101 28.421 1.00 23.39 H ATOM 1695 HG22 VAL A 128 -8.172 -19.203 27.257 1.00 23.39 H ATOM 1696 HG23 VAL A 128 -6.940 -20.206 27.291 1.00 23.39 H ATOM 1697 N ALA A 129 -8.253 -17.582 23.906 1.00 12.19 N ATOM 1698 CA ALA A 129 -9.592 -17.519 23.336 1.00 12.90 C ATOM 1699 C ALA A 129 -9.796 -18.616 22.298 1.00 12.89 C ATOM 1700 O ALA A 129 -10.928 -19.108 22.127 1.00 11.98 O ATOM 1701 CB ALA A 129 -9.884 -16.153 22.715 1.00 14.64 C ATOM 1702 H ALA A 129 -7.755 -16.897 23.759 1.00 14.63 H ATOM 1703 HA ALA A 129 -10.227 -17.639 24.059 1.00 15.48 H ATOM 1704 HB1 ALA A 129 -10.789 -16.152 22.366 1.00 17.57 H ATOM 1705 HB2 ALA A 129 -9.792 -15.470 23.398 1.00 17.57 H ATOM 1706 HB3 ALA A 129 -9.252 -15.991 21.997 1.00 17.57 H ATOM 1707 N TRP A 130 -8.726 -18.981 21.579 1.00 11.16 N ATOM 1708 CA TRP A 130 -8.853 -20.109 20.656 1.00 9.70 C ATOM 1709 C TRP A 130 -9.128 -21.415 21.393 1.00 9.80 C ATOM 1710 O TRP A 130 -9.974 -22.179 21.005 1.00 9.82 O ATOM 1711 CB TRP A 130 -7.605 -20.229 19.779 1.00 10.82 C ATOM 1712 CG TRP A 130 -7.706 -21.345 18.758 1.00 9.75 C ATOM 1713 CD1 TRP A 130 -8.231 -21.248 17.509 1.00 9.31 C ATOM 1714 CD2 TRP A 130 -7.310 -22.708 18.935 1.00 10.30 C ATOM 1715 NE1 TRP A 130 -8.194 -22.465 16.900 1.00 10.76 N ATOM 1716 CE2 TRP A 130 -7.656 -23.388 17.767 1.00 10.93 C ATOM 1717 CE3 TRP A 130 -6.727 -23.434 19.996 1.00 10.00 C ATOM 1718 CZ2 TRP A 130 -7.417 -24.762 17.605 1.00 11.94 C ATOM 1719 CZ3 TRP A 130 -6.466 -24.784 19.818 1.00 11.27 C ATOM 1720 CH2 TRP A 130 -6.812 -25.417 18.613 1.00 10.89 C ATOM 1721 H TRP A 130 -7.952 -18.607 21.607 1.00 13.39 H ATOM 1722 HA TRP A 130 -9.608 -19.939 20.071 1.00 11.64 H ATOM 1723 HB2 TRP A 130 -7.475 -19.395 19.300 1.00 12.99 H ATOM 1724 HB3 TRP A 130 -6.838 -20.409 20.346 1.00 12.99 H ATOM 1725 HD1 TRP A 130 -8.565 -20.469 17.127 1.00 11.17 H ATOM 1726 HE1 TRP A 130 -8.463 -22.631 16.100 1.00 12.92 H ATOM 1727 HE3 TRP A 130 -6.521 -23.014 20.800 1.00 12.01 H ATOM 1728 HZ2 TRP A 130 -7.669 -25.205 16.827 1.00 14.33 H ATOM 1729 HZ3 TRP A 130 -6.060 -25.272 20.499 1.00 13.53 H ATOM 1730 HH2 TRP A 130 -6.616 -26.320 18.508 1.00 13.07 H ATOM 1731 N ARG A 131 -8.433 -21.656 22.501 1.00 9.44 N ATOM 1732 CA ARG A 131 -8.725 -22.841 23.321 1.00 9.96 C ATOM 1733 C ARG A 131 -10.167 -22.827 23.789 1.00 11.02 C ATOM 1734 O ARG A 131 -10.821 -23.876 23.814 1.00 10.76 O ATOM 1735 CB ARG A 131 -7.761 -22.944 24.496 1.00 12.45 C ATOM 1736 CG ARG A 131 -6.311 -22.912 24.116 1.00 12.75 C ATOM 1737 CD ARG A 131 -5.340 -22.764 25.258 1.00 18.24 C ATOM 1738 NE ARG A 131 -5.430 -23.835 26.178 1.00 26.35 N ATOM 1739 CZ ARG A 131 -4.756 -23.844 27.321 1.00 37.67 C ATOM 1740 NH1 ARG A 131 -3.927 -22.811 27.615 1.00 20.62 N ATOM 1741 NH2 ARG A 131 -4.964 -24.863 28.161 1.00 33.16 N1+ ATOM 1742 H ARG A 131 -7.797 -21.162 22.801 1.00 11.33 H ATOM 1743 HA ARG A 131 -8.590 -23.635 22.781 1.00 11.95 H ATOM 1744 HB2 ARG A 131 -7.923 -22.198 25.095 1.00 14.94 H ATOM 1745 HB3 ARG A 131 -7.924 -23.781 24.957 1.00 14.94 H ATOM 1746 HG2 ARG A 131 -6.097 -23.742 23.663 1.00 15.30 H ATOM 1747 HG3 ARG A 131 -6.169 -22.161 23.519 1.00 15.30 H ATOM 1748 HD2 ARG A 131 -4.437 -22.743 24.906 1.00 21.89 H ATOM 1749 HD3 ARG A 131 -5.531 -21.940 25.733 1.00 21.89 H ATOM 1750 HE ARG A 131 -5.939 -24.502 25.991 1.00 31.62 H ATOM 1751 HH11 ARG A 131 -3.842 -22.157 27.063 1.00 24.75 H ATOM 1752 HH12 ARG A 131 -3.487 -22.810 28.354 1.00 24.75 H ATOM 1753 HH21 ARG A 131 -5.521 -25.485 27.954 1.00 39.80 H ATOM 1754 HH22 ARG A 131 -4.542 -24.896 28.910 1.00 39.80 H ATOM 1755 N ASN A 132 -10.680 -21.674 24.150 1.00 12.44 N ATOM 1756 CA ASN A 132 -12.005 -21.569 24.752 1.00 10.95 C ATOM 1757 C ASN A 132 -13.118 -21.673 23.752 1.00 10.98 C ATOM 1758 O ASN A 132 -14.188 -22.204 24.061 1.00 12.17 O ATOM 1759 CB ASN A 132 -12.182 -20.207 25.466 1.00 14.32 C ATOM 1760 CG ASN A 132 -11.229 -19.997 26.607 1.00 15.59 C ATOM 1761 OD1 ASN A 132 -11.066 -18.746 27.009 1.00 16.32 O ATOM 1762 ND2 ASN A 132 -10.619 -20.920 27.086 1.00 16.53 N ATOM 1763 H ASN A 132 -10.282 -20.917 24.059 1.00 14.93 H ATOM 1764 HA ASN A 132 -12.063 -22.300 25.387 1.00 13.14 H ATOM 1765 HB2 ASN A 132 -12.036 -19.495 24.823 1.00 17.18 H ATOM 1766 HB3 ASN A 132 -13.084 -20.154 25.819 1.00 17.18 H ATOM 1767 HD21 ASN A 132 -9.982 -20.760 27.853 1.00 19.83 H ATOM 1768 HD22 ASN A 132 -10.745 -21.853 26.720 1.00 19.83 H ATOM 1769 N ARG A 133 -12.909 -21.129 22.560 1.00 10.83 N ATOM 1770 CA ARG A 133 -13.972 -20.856 21.631 1.00 10.35 C ATOM 1771 C ARG A 133 -13.866 -21.584 20.311 1.00 10.16 C ATOM 1772 O ARG A 133 -14.807 -21.499 19.510 1.00 12.67 O ATOM 1773 CB ARG A 133 -14.106 -19.352 21.332 1.00 12.59 C ATOM 1774 CG ARG A 133 -14.202 -18.483 22.553 1.00 16.47 C ATOM 1775 CD ARG A 133 -15.611 -18.366 22.952 1.00 13.15 C ATOM 1776 NE ARG A 133 -15.747 -17.415 24.052 1.00 14.28 N ATOM 1777 CZ ARG A 133 -16.919 -17.055 24.522 1.00 15.35 C ATOM 1778 NH1 ARG A 133 -17.992 -17.591 24.003 1.00 18.45 N ATOM 1779 NH2 ARG A 133 -17.009 -16.198 25.591 1.00 17.58 N1+ ATOM 1780 H ARG A 133 -12.132 -20.906 22.266 1.00 13.00 H ATOM 1781 HA ARG A 133 -14.789 -21.144 22.068 1.00 12.42 H ATOM 1782 HB2 ARG A 133 -13.328 -19.067 20.828 1.00 15.11 H ATOM 1783 HB3 ARG A 133 -14.910 -19.212 20.808 1.00 15.11 H ATOM 1784 HG2 ARG A 133 -13.700 -18.881 23.281 1.00 19.77 H ATOM 1785 HG3 ARG A 133 -13.856 -17.598 22.356 1.00 19.77 H ATOM 1786 HD2 ARG A 133 -16.138 -18.049 22.202 1.00 15.79 H ATOM 1787 HD3 ARG A 133 -15.940 -19.230 23.246 1.00 15.79 H ATOM 1788 HE ARG A 133 -15.037 -17.081 24.404 1.00 17.14 H ATOM 1789 HH11 ARG A 133 -17.921 -18.167 23.369 1.00 22.14 H ATOM 1790 HH12 ARG A 133 -18.769 -17.368 24.297 1.00 22.14 H ATOM 1791 HH21 ARG A 133 -16.294 -15.893 25.959 1.00 21.10 H ATOM 1792 HH22 ARG A 133 -17.780 -15.966 25.893 1.00 21.10 H ATOM 1793 N CYS A 134 -12.751 -22.257 20.030 1.00 9.65 N ATOM 1794 CA CYS A 134 -12.446 -22.842 18.709 1.00 9.51 C ATOM 1795 C CYS A 134 -11.931 -24.269 18.794 1.00 9.24 C ATOM 1796 O CYS A 134 -12.298 -25.082 17.981 1.00 9.81 O ATOM 1797 CB CYS A 134 -11.359 -21.988 17.998 1.00 9.16 C ATOM 1798 SG CYS A 134 -11.819 -20.254 17.875 1.00 10.41 S ATOM 1799 H CYS A 134 -12.127 -22.398 20.605 1.00 11.58 H ATOM 1800 HA CYS A 134 -13.261 -22.840 18.184 1.00 11.41 H ATOM 1801 HB2 CYS A 134 -10.532 -22.046 18.501 1.00 11.00 H ATOM 1802 HB3 CYS A 134 -11.226 -22.330 17.100 1.00 11.00 H ATOM 1803 N GLN A 135 -11.057 -24.555 19.749 1.00 9.36 N ATOM 1804 CA GLN A 135 -10.475 -25.893 19.872 1.00 9.57 C ATOM 1805 C GLN A 135 -11.545 -26.940 20.098 1.00 9.95 C ATOM 1806 O GLN A 135 -12.461 -26.782 20.895 1.00 10.33 O ATOM 1807 CB GLN A 135 -9.533 -25.913 21.080 1.00 10.53 C ATOM 1808 CG GLN A 135 -8.722 -27.183 21.261 1.00 11.51 C ATOM 1809 CD GLN A 135 -7.798 -27.167 22.441 1.00 12.86 C ATOM 1810 OE1 GLN A 135 -7.610 -26.175 23.069 1.00 16.29 O ATOM 1811 NE2 GLN A 135 -7.097 -28.246 22.622 1.00 19.61 N ATOM 1812 H GLN A 135 -10.781 -23.996 20.342 1.00 11.23 H ATOM 1813 HA GLN A 135 -9.996 -26.104 19.056 1.00 11.48 H ATOM 1814 HB2 GLN A 135 -8.904 -25.181 20.988 1.00 12.64 H ATOM 1815 HB3 GLN A 135 -10.065 -25.795 21.883 1.00 12.64 H ATOM 1816 HG2 GLN A 135 -9.333 -27.927 21.379 1.00 13.81 H ATOM 1817 HG3 GLN A 135 -8.181 -27.321 20.468 1.00 13.81 H ATOM 1818 HE21 GLN A 135 -7.182 -28.909 22.081 1.00 23.53 H ATOM 1819 HE22 GLN A 135 -6.549 -28.296 23.282 1.00 23.53 H ATOM 1820 N ASN A 136 -11.376 -28.053 19.405 1.00 11.01 N ATOM 1821 CA ASN A 136 -12.296 -29.197 19.515 1.00 11.25 C ATOM 1822 C ASN A 136 -13.728 -28.840 19.176 1.00 14.13 C ATOM 1823 O ASN A 136 -14.663 -29.475 19.684 1.00 17.91 O ATOM 1824 CB ASN A 136 -12.198 -29.872 20.879 1.00 13.52 C ATOM 1825 CG ASN A 136 -10.804 -30.400 21.147 1.00 13.20 C ATOM 1826 OD1 ASN A 136 -10.362 -30.338 22.413 1.00 14.03 O ATOM 1827 ND2 ASN A 136 -10.119 -30.814 20.237 1.00 14.66 N ATOM 1828 H ASN A 136 -10.729 -28.182 18.853 1.00 13.22 H ATOM 1829 HA ASN A 136 -12.022 -29.849 18.851 1.00 13.50 H ATOM 1830 HB2 ASN A 136 -12.418 -29.228 21.570 1.00 16.22 H ATOM 1831 HB3 ASN A 136 -12.817 -30.618 20.911 1.00 16.22 H ATOM 1832 HD21 ASN A 136 -9.190 -31.165 20.423 1.00 17.59 H ATOM 1833 HD22 ASN A 136 -10.477 -30.808 19.293 1.00 17.59 H ATOM 1834 N ARG A 137 -13.954 -27.827 18.356 1.00 10.49 N ATOM 1835 CA ARG A 137 -15.264 -27.436 17.932 1.00 10.62 C ATOM 1836 C ARG A 137 -15.379 -27.565 16.428 1.00 11.08 C ATOM 1837 O ARG A 137 -14.361 -27.589 15.719 1.00 11.61 O ATOM 1838 CB ARG A 137 -15.578 -25.992 18.313 1.00 12.36 C ATOM 1839 CG ARG A 137 -15.655 -25.872 19.810 1.00 12.15 C ATOM 1840 CD ARG A 137 -15.997 -24.456 20.085 1.00 13.49 C ATOM 1841 NE ARG A 137 -15.894 -24.123 21.511 1.00 13.40 N ATOM 1842 CZ ARG A 137 -16.933 -23.973 22.319 1.00 13.93 C ATOM 1843 NH1 ARG A 137 -18.170 -24.187 21.913 1.00 18.62 N ATOM 1844 NH2 ARG A 137 -16.685 -23.547 23.545 1.00 15.20 N1+ ATOM 1845 H ARG A 137 -13.330 -27.337 18.023 1.00 12.59 H ATOM 1846 HA ARG A 137 -15.910 -28.021 18.359 1.00 12.75 H ATOM 1847 HB2 ARG A 137 -14.877 -25.407 17.986 1.00 14.83 H ATOM 1848 HB3 ARG A 137 -16.431 -25.731 17.933 1.00 14.83 H ATOM 1849 HG2 ARG A 137 -16.347 -26.451 20.166 1.00 14.58 H ATOM 1850 HG3 ARG A 137 -14.801 -26.088 20.216 1.00 14.58 H ATOM 1851 HD2 ARG A 137 -15.387 -23.881 19.596 1.00 16.19 H ATOM 1852 HD3 ARG A 137 -16.910 -24.288 19.801 1.00 16.19 H ATOM 1853 HE ARG A 137 -15.107 -24.019 21.843 1.00 16.08 H ATOM 1854 HH11 ARG A 137 -18.320 -24.431 21.102 1.00 22.35 H ATOM 1855 HH12 ARG A 137 -18.827 -24.082 22.458 1.00 22.35 H ATOM 1856 HH21 ARG A 137 -15.877 -23.380 23.788 1.00 18.24 H ATOM 1857 HH22 ARG A 137 -17.332 -23.436 24.101 1.00 18.24 H ATOM 1858 N ASP A 138 -16.617 -27.620 15.948 1.00 10.42 N ATOM 1859 CA ASP A 138 -16.903 -27.508 14.504 1.00 9.99 C ATOM 1860 C ASP A 138 -16.813 -26.053 14.117 1.00 11.40 C ATOM 1861 O ASP A 138 -17.685 -25.253 14.479 1.00 11.70 O ATOM 1862 CB ASP A 138 -18.265 -28.132 14.227 1.00 11.82 C ATOM 1863 CG ASP A 138 -18.631 -28.066 12.780 1.00 11.91 C ATOM 1864 OD1 ASP A 138 -17.816 -27.532 11.948 1.00 12.84 O ATOM 1865 OD2 ASP A 138 -19.749 -28.562 12.478 1.00 12.24 O1- ATOM 1866 H ASP A 138 -17.319 -27.721 16.434 1.00 12.50 H ATOM 1867 HA ASP A 138 -16.249 -27.981 13.966 1.00 11.99 H ATOM 1868 HB2 ASP A 138 -18.248 -29.065 14.492 1.00 14.19 H ATOM 1869 HB3 ASP A 138 -18.942 -27.655 14.732 1.00 14.19 H ATOM 1870 N VAL A 139 -15.770 -25.685 13.378 1.00 9.74 N ATOM 1871 CA VAL A 139 -15.534 -24.299 13.006 1.00 11.86 C ATOM 1872 C VAL A 139 -15.820 -24.049 11.532 1.00 11.26 C ATOM 1873 O VAL A 139 -15.473 -22.974 10.993 1.00 10.63 O ATOM 1874 CB VAL A 139 -14.116 -23.879 13.394 1.00 11.90 C ATOM 1875 CG1 VAL A 139 -13.954 -23.851 14.917 1.00 14.14 C ATOM 1876 CG2 VAL A 139 -13.070 -24.710 12.742 1.00 14.24 C ATOM 1877 H VAL A 139 -15.177 -26.231 13.077 1.00 11.70 H ATOM 1878 HA VAL A 139 -16.152 -23.733 13.493 1.00 14.24 H ATOM 1879 HB VAL A 139 -13.979 -22.977 13.064 1.00 14.28 H ATOM 1880 HG11 VAL A 139 -13.050 -23.574 15.134 1.00 16.96 H ATOM 1881 HG12 VAL A 139 -14.591 -23.222 15.291 1.00 16.96 H ATOM 1882 HG13 VAL A 139 -14.121 -24.739 15.269 1.00 16.96 H ATOM 1883 HG21 VAL A 139 -12.198 -24.342 12.952 1.00 17.09 H ATOM 1884 HG22 VAL A 139 -13.135 -25.618 13.076 1.00 17.09 H ATOM 1885 HG23 VAL A 139 -13.212 -24.699 11.783 1.00 17.09 H ATOM 1886 N ARG A 140 -16.471 -24.993 10.838 1.00 10.77 N ATOM 1887 CA ARG A 140 -16.693 -24.847 9.391 1.00 11.44 C ATOM 1888 C ARG A 140 -17.529 -23.631 9.055 1.00 11.21 C ATOM 1889 O ARG A 140 -17.380 -23.058 7.970 1.00 10.96 O ATOM 1890 CB ARG A 140 -17.331 -26.136 8.868 1.00 13.09 C ATOM 1891 CG ARG A 140 -16.394 -27.370 8.862 1.00 13.50 C ATOM 1892 CD ARG A 140 -17.081 -28.609 8.451 0.79 15.01 C ATOM 1893 NE ARG A 140 -18.059 -28.999 9.475 0.62 11.54 N ATOM 1894 CZ ARG A 140 -18.889 -30.023 9.299 0.76 14.33 C ATOM 1895 NH1 ARG A 140 -18.816 -30.736 8.183 0.76 18.58 N ATOM 1896 NH2 ARG A 140 -19.782 -30.357 10.201 0.75 15.74 N1+ ATOM 1897 H ARG A 140 -16.789 -25.718 11.175 1.00 12.92 H ATOM 1898 HA ARG A 140 -15.845 -24.718 8.939 1.00 13.73 H ATOM 1899 HB2 ARG A 140 -18.093 -26.351 9.429 1.00 15.71 H ATOM 1900 HB3 ARG A 140 -17.622 -25.987 7.955 1.00 15.71 H ATOM 1901 HG2 ARG A 140 -15.666 -27.211 8.241 1.00 16.21 H ATOM 1902 HG3 ARG A 140 -16.043 -27.505 9.756 1.00 16.21 H ATOM 1903 HD2 ARG A 140 -17.547 -28.463 7.613 1.00 18.01 H ATOM 1904 HD3 ARG A 140 -16.434 -29.325 8.349 0.91 18.01 H ATOM 1905 HE ARG A 140 -18.096 -28.552 10.209 0.12 13.85 H ATOM 1906 HH11 ARG A 140 -18.236 -30.534 7.581 1.00 22.30 H ATOM 1907 HH12 ARG A 140 -19.349 -31.400 8.062 0.60 22.30 H ATOM 1908 HH21 ARG A 140 -19.843 -29.908 10.932 0.48 18.89 H ATOM 1909 HH22 ARG A 140 -20.307 -31.024 10.061 0.08 18.89 H ATOM 1910 N GLN A 141 -18.402 -23.180 9.943 1.00 10.32 N ATOM 1911 CA GLN A 141 -19.321 -22.097 9.604 1.00 12.69 C ATOM 1912 C GLN A 141 -18.559 -20.844 9.218 1.00 11.30 C ATOM 1913 O GLN A 141 -19.036 -19.992 8.466 1.00 13.64 O ATOM 1914 CB GLN A 141 -20.286 -21.764 10.756 1.00 12.42 C ATOM 1915 CG GLN A 141 -19.667 -21.152 12.020 1.00 13.90 C ATOM 1916 CD GLN A 141 -20.589 -21.107 13.233 1.00 20.81 C ATOM 1917 OE1 GLN A 141 -21.113 -20.079 13.655 0.00 17.95 O ATOM 1918 NE2 GLN A 141 -20.793 -22.263 13.773 1.00 17.54 N ATOM 1919 H GLN A 141 -18.486 -23.479 10.745 1.00 12.38 H ATOM 1920 HA GLN A 141 -19.863 -22.404 8.860 1.00 15.23 H ATOM 1921 HB2 GLN A 141 -20.941 -21.128 10.425 1.00 14.90 H ATOM 1922 HB3 GLN A 141 -20.728 -22.584 11.025 1.00 14.90 H ATOM 1923 HG2 GLN A 141 -18.889 -21.677 12.265 1.00 16.68 H ATOM 1924 HG3 GLN A 141 -19.403 -20.240 11.822 1.00 16.68 H ATOM 1925 HE21 GLN A 141 -20.421 -22.964 13.441 1.00 21.05 H ATOM 1926 HE22 GLN A 141 -21.301 -22.331 14.463 1.00 21.05 H ATOM 1927 N TYR A 142 -17.344 -20.656 9.778 1.00 9.99 N ATOM 1928 CA TYR A 142 -16.695 -19.359 9.650 1.00 11.94 C ATOM 1929 C TYR A 142 -16.290 -19.091 8.205 1.00 10.89 C ATOM 1930 O TYR A 142 -16.179 -17.937 7.822 1.00 11.30 O ATOM 1931 CB TYR A 142 -15.504 -19.207 10.596 1.00 11.67 C ATOM 1932 CG TYR A 142 -15.892 -19.199 12.030 1.00 10.80 C ATOM 1933 CD1 TYR A 142 -16.492 -18.083 12.616 1.00 16.02 C ATOM 1934 CD2 TYR A 142 -15.734 -20.294 12.826 1.00 12.00 C ATOM 1935 CE1 TYR A 142 -16.862 -18.150 13.957 1.00 16.53 C ATOM 1936 CE2 TYR A 142 -16.106 -20.336 14.119 1.00 12.70 C ATOM 1937 CZ TYR A 142 -16.698 -19.281 14.660 1.00 12.81 C ATOM 1938 OH TYR A 142 -17.100 -19.314 16.021 1.00 14.98 O ATOM 1939 H TYR A 142 -16.900 -21.247 10.217 1.00 11.99 H ATOM 1940 HA TYR A 142 -17.330 -18.679 9.925 1.00 14.34 H ATOM 1941 HB2 TYR A 142 -14.895 -19.949 10.456 1.00 14.00 H ATOM 1942 HB3 TYR A 142 -15.055 -18.369 10.404 1.00 14.00 H ATOM 1943 HD1 TYR A 142 -16.642 -17.311 12.120 1.00 19.22 H ATOM 1944 HD2 TYR A 142 -15.349 -21.055 12.456 1.00 14.40 H ATOM 1945 HE1 TYR A 142 -17.226 -17.401 14.371 1.00 19.83 H ATOM 1946 HE2 TYR A 142 -15.949 -21.099 14.629 1.00 15.24 H ATOM 1947 HH TYR A 142 -17.003 -20.090 16.331 1.00 17.98 H ATOM 1948 N VAL A 143 -16.051 -20.113 7.397 1.00 11.04 N ATOM 1949 CA VAL A 143 -15.623 -19.974 6.020 1.00 9.85 C ATOM 1950 C VAL A 143 -16.720 -20.332 5.008 1.00 11.38 C ATOM 1951 O VAL A 143 -16.492 -20.298 3.812 1.00 11.44 O ATOM 1952 CB VAL A 143 -14.351 -20.785 5.708 1.00 10.12 C ATOM 1953 CG1 VAL A 143 -13.163 -20.234 6.504 1.00 12.19 C ATOM 1954 CG2 VAL A 143 -14.531 -22.264 5.891 1.00 12.39 C ATOM 1955 H VAL A 143 -16.133 -20.934 7.638 1.00 13.25 H ATOM 1956 HA VAL A 143 -15.407 -19.036 5.898 1.00 11.83 H ATOM 1957 HB VAL A 143 -14.154 -20.677 4.764 1.00 12.15 H ATOM 1958 HG11 VAL A 143 -12.367 -20.736 6.271 1.00 14.63 H ATOM 1959 HG12 VAL A 143 -13.040 -19.298 6.281 1.00 14.63 H ATOM 1960 HG13 VAL A 143 -13.347 -20.327 7.451 1.00 14.63 H ATOM 1961 HG21 VAL A 143 -13.682 -22.707 5.735 1.00 14.86 H ATOM 1962 HG22 VAL A 143 -14.833 -22.435 6.796 1.00 14.86 H ATOM 1963 HG23 VAL A 143 -15.191 -22.582 5.255 1.00 14.86 H ATOM 1964 N GLN A 144 -17.898 -20.691 5.470 1.00 12.36 N ATOM 1965 CA GLN A 144 -18.947 -21.190 4.561 1.00 11.97 C ATOM 1966 C GLN A 144 -19.348 -20.092 3.605 1.00 12.53 C ATOM 1967 O GLN A 144 -19.725 -19.007 4.036 1.00 11.74 O ATOM 1968 CB GLN A 144 -20.174 -21.618 5.366 1.00 17.88 C ATOM 1969 CG GLN A 144 -21.178 -22.456 4.546 1.00 18.59 C ATOM 1970 CD GLN A 144 -20.560 -23.705 3.955 0.44 21.81 C ATOM 1971 OE1 GLN A 144 -20.819 -23.952 2.685 0.27 22.63 O ATOM 1972 NE2 GLN A 144 -19.869 -24.451 4.654 0.28 26.44 N ATOM 1973 H GLN A 144 -18.130 -20.660 6.298 1.00 14.83 H ATOM 1974 HA GLN A 144 -18.612 -21.954 4.066 1.00 14.37 H ATOM 1975 HB2 GLN A 144 -19.883 -22.154 6.120 1.00 21.45 H ATOM 1976 HB3 GLN A 144 -20.634 -20.825 5.682 1.00 21.45 H ATOM 1977 HG2 GLN A 144 -21.907 -22.728 5.124 1.00 22.31 H ATOM 1978 HG3 GLN A 144 -21.517 -21.915 3.816 1.00 22.31 H ATOM 1979 HE21 GLN A 144 -19.713 -24.230 5.627 1.00 31.73 H ATOM 1980 HE22 GLN A 144 -19.460 -25.283 4.253 0.70 31.73 H ATOM 1981 N GLY A 145 -19.342 -20.410 2.307 1.00 10.69 N ATOM 1982 CA GLY A 145 -19.798 -19.509 1.268 1.00 10.87 C ATOM 1983 C GLY A 145 -18.825 -18.466 0.832 1.00 9.87 C ATOM 1984 O GLY A 145 -19.168 -17.648 -0.026 1.00 10.70 O ATOM 1985 H GLY A 145 -19.069 -21.166 2.002 1.00 12.83 H ATOM 1986 HA2 GLY A 145 -20.030 -20.035 0.487 1.00 13.04 H ATOM 1987 HA3 GLY A 145 -20.591 -19.051 1.587 1.00 13.04 H ATOM 1988 N CYS A 146 -17.585 -18.502 1.357 1.00 9.49 N ATOM 1989 CA CYS A 146 -16.709 -17.386 1.122 1.00 9.47 C ATOM 1990 C CYS A 146 -15.797 -17.556 -0.082 1.00 11.34 C ATOM 1991 O CYS A 146 -15.097 -16.614 -0.405 1.00 12.57 O ATOM 1992 CB CYS A 146 -15.823 -17.173 2.357 1.00 9.13 C ATOM 1993 SG CYS A 146 -16.696 -16.815 3.927 1.00 10.14 S ATOM 1994 H CYS A 146 -17.261 -19.143 1.829 1.00 11.39 H ATOM 1995 HA CYS A 146 -17.258 -16.601 0.968 1.00 11.37 H ATOM 1996 HB2 CYS A 146 -15.302 -17.978 2.497 1.00 10.96 H ATOM 1997 HB3 CYS A 146 -15.234 -16.423 2.180 1.00 10.96 H ATOM 1998 N GLY A 147 -15.805 -18.740 -0.652 1.00 12.86 N ATOM 1999 CA GLY A 147 -15.000 -19.012 -1.835 1.00 17.28 C ATOM 2000 C GLY A 147 -13.549 -19.320 -1.531 1.00 18.61 C ATOM 2001 O GLY A 147 -12.674 -18.982 -2.346 1.00 19.90 O ATOM 2002 H GLY A 147 -16.268 -19.411 -0.378 1.00 15.44 H ATOM 2003 HA2 GLY A 147 -15.377 -19.773 -2.304 1.00 20.73 H ATOM 2004 HA3 GLY A 147 -15.027 -18.237 -2.419 1.00 20.73 H ATOM 2005 N VAL A 148 -13.249 -19.837 -0.336 1.00 13.28 N ATOM 2006 CA VAL A 148 -11.868 -20.133 0.029 1.00 13.54 C ATOM 2007 C VAL A 148 -11.683 -21.610 0.140 1.00 18.84 C ATOM 2008 O VAL A 148 -10.551 -22.004 0.356 1.00 19.94 O ATOM 2009 CB VAL A 148 -11.469 -19.427 1.337 1.00 14.26 C ATOM 2010 CG1 VAL A 148 -11.529 -17.976 1.144 1.00 15.42 C ATOM 2011 CG2 VAL A 148 -12.375 -19.881 2.518 1.00 15.43 C ATOM 2012 OXT VAL A 148 -12.627 -22.367 0.032 1.00 20.39 O1- ATOM 2013 H VAL A 148 -13.826 -20.024 0.274 1.00 15.93 H ATOM 2014 HA VAL A 148 -11.279 -19.801 -0.667 1.00 16.25 H ATOM 2015 HB VAL A 148 -10.561 -19.671 1.573 1.00 17.11 H ATOM 2016 HG11 VAL A 148 -11.231 -17.536 1.956 1.00 18.50 H ATOM 2017 HG12 VAL A 148 -10.951 -17.731 0.404 1.00 18.50 H ATOM 2018 HG13 VAL A 148 -12.444 -17.721 0.947 1.00 18.50 H ATOM 2019 HG21 VAL A 148 -12.222 -19.295 3.276 1.00 18.52 H ATOM 2020 HG22 VAL A 148 -13.303 -19.829 2.241 1.00 18.52 H ATOM 2021 HG23 VAL A 148 -12.150 -20.794 2.755 1.00 18.52 H TER 2022 VAL A 148 HETATM 2023 C ACT A 201 -1.096 -13.803 22.245 1.00 20.62 C HETATM 2024 O ACT A 201 -0.767 -12.628 21.993 1.00 14.72 O HETATM 2025 OXT ACT A 201 -1.875 -14.180 23.138 1.00 30.45 O1- HETATM 2026 CH3 ACT A 201 -0.526 -14.957 21.406 1.00 19.36 C HETATM 2027 HH31 ACT A 201 -0.924 -15.904 21.771 1.00 0.00 H HETATM 2028 HH32 ACT A 201 -0.810 -14.823 20.362 1.00 0.00 H HETATM 2029 HH33 ACT A 201 0.561 -14.965 21.489 1.00 0.00 H CONECT 105 1993 CONECT 490 1798 CONECT 1041 1248 CONECT 1191 1437 CONECT 1248 1041 CONECT 1437 1191 CONECT 1798 490 CONECT 1993 105 CONECT 2023 2024 2025 2026 CONECT 2023 2024 CONECT 2024 2023 CONECT 2024 2023 CONECT 2025 2023 CONECT 2026 2023 2027 2028 2029 CONECT 2027 2026 CONECT 2028 2026 CONECT 2029 2026 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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