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*** Y54N ***elNémo ID: 2504010816551500188Job options:ID = 2504010816551500188 JOBID = Y54N 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 Y54N HEADER HYDROLASE 05-JAN-98 1JSF REMARK 4 1JSF COMPLIES WITH FORMAT V. 3.30, REMARK 888 REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) TITLE FULL-MATRIX LEAST-SQUARES REFINEMENT OF HUMAN LYSOZYME EXPDTA X-RAY DIFFRACTION REMARK 2 RESOLUTION. 1.15 ANGSTROMS REMARK 3 R VALUE : 0.112000 REMARK 3 FREE R VALUE : 0.157000 REMARK 200 TEMPERATURE (KELVIN) : 285.00 REMARK 200 PH : 4.50 REMARK 350 BIOMOLECULE: 1 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 CRYST1 57.050 60.960 32.960 90.00 90.00 90.00 P 21 21 21 4 MODEL 1 ATOM 1 N LYS A 1 1.396 19.733 22.138 1.00 17.06 N1+ ATOM 2 CA LYS A 1 1.954 20.635 21.104 1.00 18.25 C ATOM 3 C LYS A 1 3.191 19.966 20.485 1.00 16.14 C ATOM 4 O LYS A 1 3.935 19.310 21.172 1.00 16.16 O ATOM 5 CB LYS A 1 2.392 21.910 21.823 1.00 24.42 C ATOM 6 CG LYS A 1 3.258 22.885 21.154 1.00 26.69 C ATOM 7 CD LYS A 1 3.590 24.069 22.046 1.00 23.93 C ATOM 8 CE LYS A 1 4.511 25.054 21.364 1.00 26.10 C ATOM 9 NZ LYS A 1 4.661 26.291 22.135 1.00 38.54 N1+ ATOM 10 H1 LYS A 1 0.581 20.161 22.554 1.00 0.00 H ATOM 11 H2 LYS A 1 1.135 18.854 21.714 1.00 0.00 H ATOM 12 H3 LYS A 1 2.091 19.568 22.852 1.00 0.00 H ATOM 13 HA LYS A 1 1.209 20.857 20.340 1.00 0.00 H ATOM 14 HB3 LYS A 1 2.838 21.640 22.780 1.00 0.00 H ATOM 15 HB2 LYS A 1 1.508 22.424 22.200 1.00 0.00 H ATOM 16 HG3 LYS A 1 2.770 23.241 20.246 1.00 0.00 H ATOM 17 HG2 LYS A 1 4.181 22.396 20.842 1.00 0.00 H ATOM 18 HD3 LYS A 1 4.057 23.712 22.964 1.00 0.00 H ATOM 19 HD2 LYS A 1 2.669 24.575 22.335 1.00 0.00 H ATOM 20 HE3 LYS A 1 4.121 25.289 20.374 1.00 0.00 H ATOM 21 HE2 LYS A 1 5.489 24.596 21.220 1.00 0.00 H ATOM 22 HZ1 LYS A 1 5.223 26.948 21.613 1.00 0.00 H ATOM 23 HZ2 LYS A 1 3.751 26.692 22.310 1.00 0.00 H ATOM 24 HZ3 LYS A 1 5.113 26.087 23.015 1.00 0.00 H ATOM 25 N VAL A 2 3.353 20.192 19.184 1.00 15.22 N ATOM 26 CA VAL A 2 4.564 19.813 18.490 1.00 14.66 C ATOM 27 C VAL A 2 5.406 21.092 18.277 1.00 14.54 C ATOM 28 O VAL A 2 5.024 21.984 17.549 1.00 17.31 O ATOM 29 CB VAL A 2 4.347 19.109 17.167 1.00 18.09 C ATOM 30 CG1 VAL A 2 5.678 18.704 16.541 1.00 20.30 C ATOM 31 CG2 VAL A 2 3.480 17.842 17.405 1.00 21.91 C ATOM 32 H VAL A 2 2.619 20.639 18.654 1.00 0.00 H ATOM 33 HA VAL A 2 5.128 19.143 19.139 1.00 0.00 H ATOM 34 HB VAL A 2 3.821 19.779 16.487 1.00 0.00 H ATOM 35 HG11 VAL A 2 5.495 18.200 15.592 1.00 0.00 H ATOM 36 HG12 VAL A 2 6.285 19.593 16.369 1.00 0.00 H ATOM 37 HG13 VAL A 2 6.206 18.029 17.214 1.00 0.00 H ATOM 38 HG21 VAL A 2 3.318 17.328 16.457 1.00 0.00 H ATOM 39 HG22 VAL A 2 3.994 17.174 18.097 1.00 0.00 H ATOM 40 HG23 VAL A 2 2.519 18.133 17.828 1.00 0.00 H ATOM 41 N PHE A 3 6.531 21.165 18.967 1.00 13.22 N ATOM 42 CA PHE A 3 7.387 22.351 18.833 1.00 12.29 C ATOM 43 C PHE A 3 8.099 22.323 17.483 1.00 13.94 C ATOM 44 O PHE A 3 8.527 21.284 17.010 1.00 16.04 O ATOM 45 CB PHE A 3 8.466 22.381 19.916 1.00 13.14 C ATOM 46 CG PHE A 3 8.028 22.867 21.254 1.00 12.43 C ATOM 47 CD1 PHE A 3 7.293 22.050 22.108 1.00 14.74 C ATOM 48 CD2 PHE A 3 8.312 24.140 21.683 1.00 14.77 C ATOM 49 CE1 PHE A 3 6.892 22.518 23.340 1.00 16.85 C ATOM 50 CE2 PHE A 3 7.906 24.619 22.898 1.00 16.48 C ATOM 51 CZ PHE A 3 7.221 23.785 23.771 1.00 16.12 C ATOM 52 H PHE A 3 6.797 20.408 19.581 1.00 0.00 H ATOM 53 HA PHE A 3 6.776 23.251 18.903 1.00 0.00 H ATOM 54 HB3 PHE A 3 9.305 22.985 19.571 1.00 0.00 H ATOM 55 HB2 PHE A 3 8.900 21.387 20.019 1.00 0.00 H ATOM 56 HD1 PHE A 3 7.035 21.046 21.806 1.00 0.00 H ATOM 57 HD2 PHE A 3 8.878 24.809 21.052 1.00 0.00 H ATOM 58 HE1 PHE A 3 6.306 21.888 23.993 1.00 0.00 H ATOM 59 HE2 PHE A 3 8.119 25.641 23.174 1.00 0.00 H ATOM 60 HZ PHE A 3 6.946 24.106 24.765 1.00 0.00 H ATOM 61 N GLU A 4 8.403 23.521 16.993 1.00 14.86 N ATOM 62 CA GLU A 4 9.359 23.691 15.944 1.00 16.55 C ATOM 63 C GLU A 4 10.763 23.693 16.609 1.00 14.12 C ATOM 64 O GLU A 4 10.866 24.057 17.788 1.00 14.27 O ATOM 65 CB GLU A 4 9.131 25.005 15.190 1.00 21.19 C ATOM 66 CG GLU A 4 7.796 25.027 14.489 1.00 34.01 C ATOM 67 CD GLU A 4 7.414 26.355 13.898 1.00 39.62 C ATOM 68 OE1 GLU A 4 8.069 26.793 12.943 1.00 49.70 O ATOM 69 OE2 GLU A 4 6.356 26.926 14.320 1.00 48.74 O1- ATOM 70 H GLU A 4 7.954 24.347 17.362 1.00 0.00 H ATOM 71 HA GLU A 4 9.288 22.855 15.248 1.00 0.00 H ATOM 72 HB3 GLU A 4 9.927 25.146 14.459 1.00 0.00 H ATOM 73 HB2 GLU A 4 9.187 25.839 15.890 1.00 0.00 H ATOM 74 HG3 GLU A 4 7.019 24.704 15.182 1.00 0.00 H ATOM 75 HG2 GLU A 4 7.787 24.268 13.707 1.00 0.00 H ATOM 76 N ARG A 5 11.771 23.274 15.920 1.00 13.42 N ATOM 77 CA ARG A 5 13.108 23.081 16.452 1.00 13.70 C ATOM 78 C ARG A 5 13.625 24.294 17.214 1.00 11.54 C ATOM 79 O ARG A 5 13.986 24.216 18.396 1.00 12.11 O ATOM 80 CB ARG A 5 14.052 22.678 15.321 1.00 14.12 C ATOM 81 CG ARG A 5 15.490 22.487 15.716 1.00 16.72 C ATOM 82 CD ARG A 5 16.297 22.027 14.499 1.00 19.34 C ATOM 83 NE ARG A 5 16.491 23.053 13.514 1.00 20.28 N ATOM 84 CZ ARG A 5 17.489 23.942 13.489 1.00 21.61 C ATOM 85 NH1 ARG A 5 18.387 23.996 14.460 1.00 24.48 N ATOM 86 NH2 ARG A 5 17.582 24.804 12.482 1.00 23.88 N1+ ATOM 87 H ARG A 5 11.657 23.056 14.940 1.00 0.00 H ATOM 88 HA ARG A 5 13.064 22.248 17.154 1.00 0.00 H ATOM 89 HB3 ARG A 5 13.993 23.417 14.522 1.00 0.00 H ATOM 90 HB2 ARG A 5 13.683 21.766 14.852 1.00 0.00 H ATOM 91 HG3 ARG A 5 15.554 21.733 16.500 1.00 0.00 H ATOM 92 HG2 ARG A 5 15.894 23.430 16.084 1.00 0.00 H ATOM 93 HD3 ARG A 5 15.801 21.173 14.038 1.00 0.00 H ATOM 94 HD2 ARG A 5 17.267 21.654 14.828 1.00 0.00 H ATOM 95 HE ARG A 5 15.784 23.067 12.793 1.00 0.00 H ATOM 96 HH12 ARG A 5 19.133 24.676 14.421 1.00 0.00 H ATOM 97 HH11 ARG A 5 18.326 23.357 15.240 1.00 0.00 H ATOM 98 HH22 ARG A 5 18.335 25.477 12.461 1.00 0.00 H ATOM 99 HH21 ARG A 5 16.900 24.787 11.738 1.00 0.00 H ATOM 100 N CYS A 6 13.678 25.449 16.531 1.00 12.58 N ATOM 101 CA CYS A 6 14.273 26.619 17.221 1.00 12.42 C ATOM 102 C CYS A 6 13.386 27.230 18.275 1.00 11.86 C ATOM 103 O CYS A 6 13.880 27.842 19.241 1.00 13.27 O ATOM 104 CB CYS A 6 14.690 27.660 16.183 1.00 13.64 C ATOM 105 SG CYS A 6 16.054 27.141 15.137 1.00 16.20 S ATOM 106 H CYS A 6 13.321 25.494 15.587 1.00 0.00 H ATOM 107 HA CYS A 6 15.180 26.276 17.719 1.00 0.00 H ATOM 108 HB3 CYS A 6 14.955 28.588 16.689 1.00 0.00 H ATOM 109 HB2 CYS A 6 13.832 27.913 15.560 1.00 0.00 H ATOM 110 N GLU A 7 12.057 27.100 18.131 1.00 12.12 N ATOM 111 CA GLU A 7 11.120 27.485 19.197 1.00 12.07 C ATOM 112 C GLU A 7 11.449 26.687 20.476 1.00 11.12 C ATOM 113 O GLU A 7 11.486 27.242 21.546 1.00 12.80 O ATOM 114 CB GLU A 7 9.707 27.122 18.746 1.00 16.60 C ATOM 115 CG GLU A 7 8.631 27.470 19.724 1.00 18.77 C ATOM 116 CD GLU A 7 7.268 26.916 19.363 1.00 21.58 C ATOM 117 OE1 GLU A 7 7.169 25.956 18.538 1.00 21.23 O ATOM 118 OE2 GLU A 7 6.281 27.392 19.950 1.00 26.51 O1- ATOM 119 H GLU A 7 11.676 26.729 17.272 1.00 0.00 H ATOM 120 HA GLU A 7 11.190 28.555 19.392 1.00 0.00 H ATOM 121 HB3 GLU A 7 9.662 26.056 18.524 1.00 0.00 H ATOM 122 HB2 GLU A 7 9.497 27.605 17.792 1.00 0.00 H ATOM 123 HG3 GLU A 7 8.567 28.554 19.820 1.00 0.00 H ATOM 124 HG2 GLU A 7 8.915 27.115 20.715 1.00 0.00 H ATOM 125 N LEU A 8 11.682 25.387 20.334 1.00 11.84 N ATOM 126 CA LEU A 8 12.016 24.591 21.519 1.00 10.90 C ATOM 127 C LEU A 8 13.382 24.998 22.070 1.00 10.67 C ATOM 128 O LEU A 8 13.542 25.121 23.276 1.00 11.45 O ATOM 129 CB LEU A 8 12.046 23.085 21.188 1.00 11.53 C ATOM 130 CG LEU A 8 12.361 22.172 22.361 1.00 11.62 C ATOM 131 CD1 LEU A 8 11.359 22.359 23.500 1.00 14.29 C ATOM 132 CD2 LEU A 8 12.418 20.708 21.882 1.00 16.83 C ATOM 133 H LEU A 8 11.628 24.961 19.420 1.00 0.00 H ATOM 134 HA LEU A 8 11.261 24.768 22.285 1.00 0.00 H ATOM 135 HB3 LEU A 8 12.765 22.906 20.389 1.00 0.00 H ATOM 136 HB2 LEU A 8 11.091 22.793 20.750 1.00 0.00 H ATOM 137 HG LEU A 8 13.348 22.439 22.737 1.00 0.00 H ATOM 138 HD11 LEU A 8 11.614 21.691 24.322 1.00 0.00 H ATOM 139 HD12 LEU A 8 11.392 23.391 23.848 1.00 0.00 H ATOM 140 HD13 LEU A 8 10.355 22.128 23.143 1.00 0.00 H ATOM 141 HD21 LEU A 8 12.644 20.057 22.727 1.00 0.00 H ATOM 142 HD22 LEU A 8 11.455 20.427 21.455 1.00 0.00 H ATOM 143 HD23 LEU A 8 13.195 20.603 21.125 1.00 0.00 H ATOM 144 N ALA A 9 14.351 25.229 21.211 1.00 10.92 N ATOM 145 CA ALA A 9 15.679 25.640 21.688 1.00 11.36 C ATOM 146 C ALA A 9 15.607 26.912 22.518 1.00 12.02 C ATOM 147 O ALA A 9 16.186 27.006 23.601 1.00 11.55 O ATOM 148 CB ALA A 9 16.644 25.798 20.542 1.00 13.31 C ATOM 149 H ALA A 9 14.183 25.124 20.221 1.00 0.00 H ATOM 150 HA ALA A 9 16.058 24.847 22.332 1.00 0.00 H ATOM 151 HB1 ALA A 9 17.618 26.103 20.926 1.00 0.00 H ATOM 152 HB2 ALA A 9 16.742 24.849 20.016 1.00 0.00 H ATOM 153 HB3 ALA A 9 16.271 26.557 19.855 1.00 0.00 H ATOM 154 N ARG A 10 14.858 27.906 22.039 1.00 11.89 N ATOM 155 CA ARG A 10 14.745 29.153 22.826 1.00 12.26 C ATOM 156 C ARG A 10 13.972 28.945 24.107 1.00 11.30 C ATOM 157 O ARG A 10 14.301 29.570 25.144 1.00 13.37 O ATOM 158 CB ARG A 10 14.098 30.247 21.995 1.00 15.41 C ATOM 159 CG ARG A 10 14.961 30.812 20.865 1.00 17.40 C ATOM 160 CD ARG A 10 14.258 32.010 20.235 1.00 21.37 C ATOM 161 NE ARG A 10 13.076 31.639 19.488 1.00 20.21 N ATOM 162 CZ ARG A 10 13.064 31.157 18.260 1.00 19.83 C ATOM 163 NH1 ARG A 10 14.185 31.073 17.550 1.00 20.32 N ATOM 164 NH2 ARG A 10 11.927 30.783 17.691 1.00 23.03 N1+ ATOM 165 H ARG A 10 14.382 27.799 21.155 1.00 0.00 H ATOM 166 HA ARG A 10 15.752 29.479 23.088 1.00 0.00 H ATOM 167 HB3 ARG A 10 13.786 31.060 22.650 1.00 0.00 H ATOM 168 HB2 ARG A 10 13.160 29.878 21.581 1.00 0.00 H ATOM 169 HG3 ARG A 10 15.117 30.043 20.108 1.00 0.00 H ATOM 170 HG2 ARG A 10 15.924 31.126 21.266 1.00 0.00 H ATOM 171 HD3 ARG A 10 14.953 32.533 19.578 1.00 0.00 H ATOM 172 HD2 ARG A 10 13.985 32.721 21.015 1.00 0.00 H ATOM 173 HE ARG A 10 12.208 31.776 19.985 1.00 0.00 H ATOM 174 HH12 ARG A 10 14.161 30.702 16.611 1.00 0.00 H ATOM 175 HH11 ARG A 10 15.060 31.380 17.950 1.00 0.00 H ATOM 176 HH22 ARG A 10 11.930 30.415 16.750 1.00 0.00 H ATOM 177 HH21 ARG A 10 11.057 30.866 18.198 1.00 0.00 H ATOM 178 N THR A 11 12.951 28.105 24.087 1.00 11.61 N ATOM 179 CA THR A 11 12.158 27.804 25.281 1.00 11.60 C ATOM 180 C THR A 11 13.017 27.140 26.350 1.00 11.46 C ATOM 181 O THR A 11 13.004 27.540 27.510 1.00 12.79 O ATOM 182 CB THR A 11 10.970 26.898 24.921 1.00 13.51 C ATOM 183 OG1 THR A 11 10.141 27.635 23.999 1.00 15.51 O ATOM 184 CG2 THR A 11 10.138 26.529 26.130 1.00 15.20 C ATOM 185 H THR A 11 12.693 27.644 23.226 1.00 0.00 H ATOM 186 HA THR A 11 11.769 28.740 25.682 1.00 0.00 H ATOM 187 HB THR A 11 11.335 25.991 24.439 1.00 0.00 H ATOM 188 HG1 THR A 11 10.509 27.570 23.115 1.00 0.00 H ATOM 189 HG21 THR A 11 9.312 25.888 25.821 1.00 0.00 H ATOM 190 HG22 THR A 11 10.759 25.998 26.851 1.00 0.00 H ATOM 191 HG23 THR A 11 9.743 27.435 26.590 1.00 0.00 H ATOM 192 N LEU A 12 13.808 26.138 25.930 1.00 10.78 N ATOM 193 CA LEU A 12 14.693 25.456 26.859 1.00 11.18 C ATOM 194 C LEU A 12 15.727 26.412 27.422 1.00 11.18 C ATOM 195 O LEU A 12 16.076 26.324 28.594 1.00 12.56 O ATOM 196 CB LEU A 12 15.384 24.254 26.217 1.00 12.02 C ATOM 197 CG LEU A 12 14.449 23.073 25.833 1.00 12.75 C ATOM 198 CD1 LEU A 12 15.245 21.998 25.147 1.00 17.07 C ATOM 199 CD2 LEU A 12 13.713 22.568 27.050 1.00 16.49 C ATOM 200 H LEU A 12 13.791 25.853 24.961 1.00 0.00 H ATOM 201 HA LEU A 12 14.089 25.090 27.689 1.00 0.00 H ATOM 202 HB3 LEU A 12 16.168 23.891 26.882 1.00 0.00 H ATOM 203 HB2 LEU A 12 15.931 24.583 25.333 1.00 0.00 H ATOM 204 HG LEU A 12 13.710 23.447 25.125 1.00 0.00 H ATOM 205 HD11 LEU A 12 14.586 21.172 24.879 1.00 0.00 H ATOM 206 HD12 LEU A 12 15.703 22.404 24.245 1.00 0.00 H ATOM 207 HD13 LEU A 12 16.024 21.638 25.819 1.00 0.00 H ATOM 208 HD21 LEU A 12 13.062 21.741 26.765 1.00 0.00 H ATOM 209 HD22 LEU A 12 14.432 22.224 27.793 1.00 0.00 H ATOM 210 HD23 LEU A 12 13.112 23.374 27.472 1.00 0.00 H ATOM 211 N LYS A 13 16.243 27.323 26.604 1.00 11.39 N ATOM 212 CA LYS A 13 17.233 28.273 27.090 1.00 11.97 C ATOM 213 C LYS A 13 16.633 29.179 28.143 1.00 12.47 C ATOM 214 O LYS A 13 17.234 29.407 29.194 1.00 13.70 O ATOM 215 CB LYS A 13 17.801 29.082 25.957 1.00 16.60 C ATOM 216 CG LYS A 13 18.890 30.069 26.400 1.00 22.62 C ATOM 217 CD LYS A 13 19.919 30.280 25.326 1.00 30.87 C ATOM 218 CE LYS A 13 21.131 31.051 25.919 1.00 37.86 C ATOM 219 NZ LYS A 13 22.245 30.988 24.925 1.00 58.06 N1+ ATOM 220 H LYS A 13 15.949 27.359 25.639 1.00 0.00 H ATOM 221 HA LYS A 13 18.047 27.711 27.548 1.00 0.00 H ATOM 222 HB3 LYS A 13 16.997 29.628 25.464 1.00 0.00 H ATOM 223 HB2 LYS A 13 18.207 28.410 25.201 1.00 0.00 H ATOM 224 HG3 LYS A 13 19.377 29.692 27.300 1.00 0.00 H ATOM 225 HG2 LYS A 13 18.431 31.024 26.656 1.00 0.00 H ATOM 226 HD3 LYS A 13 19.482 30.860 24.513 1.00 0.00 H ATOM 227 HD2 LYS A 13 20.253 29.314 24.948 1.00 0.00 H ATOM 228 HE3 LYS A 13 21.446 30.574 26.847 1.00 0.00 H ATOM 229 HE2 LYS A 13 20.852 32.091 26.086 1.00 0.00 H ATOM 230 HZ1 LYS A 13 21.862 30.968 23.991 1.00 0.00 H ATOM 231 HZ2 LYS A 13 22.836 31.800 25.029 1.00 0.00 H ATOM 232 HZ3 LYS A 13 22.791 30.153 25.083 1.00 0.00 H ATOM 233 N ARG A 14 15.421 29.669 27.933 1.00 12.34 N ATOM 234 CA ARG A 14 14.764 30.539 28.918 1.00 12.96 C ATOM 235 C ARG A 14 14.466 29.824 30.232 1.00 11.94 C ATOM 236 O ARG A 14 14.436 30.451 31.278 1.00 14.46 O ATOM 237 CB AARG A 14 13.380 30.947 28.326 0.70 15.74 C ATOM 238 CB BARG A 14 13.623 31.319 28.361 0.30 15.28 C ATOM 239 CG AARG A 14 13.528 32.142 27.389 0.70 21.21 C ATOM 240 CG BARG A 14 14.058 32.408 27.351 0.30 19.21 C ATOM 241 CD AARG A 14 12.169 32.848 27.270 0.70 28.16 C ATOM 242 CD BARG A 14 15.036 33.371 28.016 0.30 26.84 C ATOM 243 NE AARG A 14 11.142 31.958 26.823 0.70 30.61 N ATOM 244 NE BARG A 14 15.209 34.596 27.262 0.30 35.78 N ATOM 245 CZ AARG A 14 10.890 31.694 25.536 0.70 30.91 C ATOM 246 CZ BARG A 14 14.338 35.577 27.122 0.30 33.72 C ATOM 247 NH1AARG A 14 11.558 32.316 24.584 0.70 32.12 N ATOM 248 NH1BARG A 14 13.846 35.867 25.919 0.30 36.51 N ATOM 249 NH2AARG A 14 9.986 30.766 25.270 0.70 31.46 N1+ ATOM 250 NH2BARG A 14 13.965 36.331 28.153 0.30 28.73 N1+ ATOM 251 H ARG A 14 14.927 29.447 27.080 1.00 0.00 H ATOM 252 HA ARG A 14 15.371 31.426 29.101 1.00 0.00 H ATOM 253 HB3AARG A 14 12.700 31.204 29.138 0.70 0.00 H ATOM 254 HB3BARG A 14 13.069 31.783 29.177 0.30 0.00 H ATOM 255 HB2AARG A 14 12.958 30.105 27.777 0.70 0.00 H ATOM 256 HB2BARG A 14 12.921 30.639 27.879 0.30 0.00 H ATOM 257 HG3AARG A 14 13.844 31.795 26.405 0.70 0.00 H ATOM 258 HG3BARG A 14 13.181 32.959 27.011 0.30 0.00 H ATOM 259 HG2AARG A 14 14.263 32.835 27.798 0.70 0.00 H ATOM 260 HG2BARG A 14 14.539 31.937 26.494 0.30 0.00 H ATOM 261 HD3AARG A 14 12.254 33.683 26.574 0.70 0.00 H ATOM 262 HD3BARG A 14 16.002 32.880 28.137 0.30 0.00 H ATOM 263 HD2AARG A 14 11.891 33.265 28.238 0.70 0.00 H ATOM 264 HD2BARG A 14 14.684 33.610 29.019 0.30 0.00 H ATOM 265 HE AARG A 14 10.591 31.518 27.546 0.70 0.00 H ATOM 266 HE BARG A 14 16.112 34.655 26.814 0.30 0.00 H ATOM 267 HH12AARG A 14 11.363 32.112 23.614 0.70 0.00 H ATOM 268 HH12BARG A 14 13.179 36.618 25.814 0.30 0.00 H ATOM 269 HH11AARG A 14 12.265 32.996 24.825 0.70 0.00 H ATOM 270 HH11BARG A 14 14.140 35.336 25.112 0.30 0.00 H ATOM 271 HH22AARG A 14 9.766 30.536 24.312 0.70 0.00 H ATOM 272 HH22BARG A 14 13.296 37.076 28.018 0.30 0.00 H ATOM 273 HH21AARG A 14 9.516 30.288 26.025 0.70 0.00 H ATOM 274 HH21BARG A 14 14.351 36.159 29.070 0.30 0.00 H ATOM 275 N LEU A 15 14.266 28.504 30.138 1.00 11.41 N ATOM 276 CA LEU A 15 13.989 27.679 31.290 1.00 11.71 C ATOM 277 C LEU A 15 15.226 27.171 31.999 1.00 12.33 C ATOM 278 O LEU A 15 15.131 26.442 32.984 1.00 15.00 O ATOM 279 CB LEU A 15 13.025 26.541 30.887 1.00 13.70 C ATOM 280 CG LEU A 15 11.605 26.947 30.585 1.00 15.21 C ATOM 281 CD1 LEU A 15 10.796 25.790 29.978 1.00 16.24 C ATOM 282 CD2 LEU A 15 10.881 27.458 31.822 1.00 20.49 C ATOM 283 H LEU A 15 14.306 28.050 29.237 1.00 0.00 H ATOM 284 HA LEU A 15 13.454 28.306 32.003 1.00 0.00 H ATOM 285 HB3 LEU A 15 13.023 25.779 31.666 1.00 0.00 H ATOM 286 HB2 LEU A 15 13.436 26.008 30.030 1.00 0.00 H ATOM 287 HG LEU A 15 11.635 27.756 29.855 1.00 0.00 H ATOM 288 HD11 LEU A 15 9.779 26.124 29.775 1.00 0.00 H ATOM 289 HD12 LEU A 15 11.264 25.467 29.048 1.00 0.00 H ATOM 290 HD13 LEU A 15 10.771 24.956 30.680 1.00 0.00 H ATOM 291 HD21 LEU A 15 9.862 27.739 31.557 1.00 0.00 H ATOM 292 HD22 LEU A 15 10.856 26.674 32.579 1.00 0.00 H ATOM 293 HD23 LEU A 15 11.406 28.328 32.217 1.00 0.00 H ATOM 294 N GLY A 16 16.399 27.649 31.597 1.00 12.66 N ATOM 295 CA GLY A 16 17.628 27.374 32.314 1.00 13.48 C ATOM 296 C GLY A 16 18.306 26.080 32.043 1.00 12.84 C ATOM 297 O GLY A 16 19.156 25.631 32.807 1.00 15.76 O ATOM 298 H GLY A 16 16.453 28.223 30.768 1.00 0.00 H ATOM 299 HA3 GLY A 16 17.445 27.465 33.385 1.00 0.00 H ATOM 300 HA2 GLY A 16 18.331 28.189 32.144 1.00 0.00 H ATOM 301 N MET A 17 18.044 25.479 30.872 1.00 11.57 N ATOM 302 CA MET A 17 18.651 24.206 30.534 1.00 11.60 C ATOM 303 C MET A 17 20.050 24.281 29.984 1.00 11.86 C ATOM 304 O MET A 17 20.726 23.233 29.968 1.00 14.20 O ATOM 305 CB MET A 17 17.738 23.430 29.574 1.00 13.14 C ATOM 306 CG MET A 17 16.406 23.065 30.250 1.00 14.11 C ATOM 307 SD MET A 17 16.664 21.747 31.446 1.00 18.03 S ATOM 308 CE MET A 17 15.942 20.348 30.495 1.00 24.42 C ATOM 309 H MET A 17 17.416 25.913 30.211 1.00 0.00 H ATOM 310 HA MET A 17 18.705 23.627 31.456 1.00 0.00 H ATOM 311 HB3 MET A 17 18.242 22.519 29.250 1.00 0.00 H ATOM 312 HB2 MET A 17 17.542 24.037 28.690 1.00 0.00 H ATOM 313 HG3 MET A 17 15.694 22.735 29.494 1.00 0.00 H ATOM 314 HG2 MET A 17 16.004 23.942 30.757 1.00 0.00 H ATOM 315 HE1 MET A 17 16.013 19.433 31.083 1.00 0.00 H ATOM 316 HE2 MET A 17 14.895 20.559 30.276 1.00 0.00 H ATOM 317 HE3 MET A 17 16.490 20.222 29.561 1.00 0.00 H ATOM 318 N ASP A 18 20.483 25.396 29.441 1.00 12.93 N ATOM 319 CA ASP A 18 21.804 25.450 28.804 1.00 14.41 C ATOM 320 C ASP A 18 22.879 25.342 29.841 1.00 14.70 C ATOM 321 O ASP A 18 23.110 26.255 30.622 1.00 17.65 O ATOM 322 CB ASP A 18 21.964 26.663 27.906 1.00 16.44 C ATOM 323 CG ASP A 18 23.170 26.601 27.001 1.00 19.56 C ATOM 324 OD1 ASP A 18 23.715 25.487 26.698 1.00 20.72 O ATOM 325 OD2 ASP A 18 23.627 27.648 26.572 1.00 29.13 O1- ATOM 326 H ASP A 18 19.906 26.224 29.460 1.00 0.00 H ATOM 327 HA ASP A 18 21.887 24.569 28.167 1.00 0.00 H ATOM 328 HB3 ASP A 18 22.018 27.562 28.520 1.00 0.00 H ATOM 329 HB2 ASP A 18 21.065 26.787 27.302 1.00 0.00 H ATOM 330 N GLY A 19 23.628 24.224 29.839 1.00 12.95 N ATOM 331 CA GLY A 19 24.682 24.003 30.776 1.00 15.05 C ATOM 332 C GLY A 19 24.239 23.464 32.103 1.00 12.69 C ATOM 333 O GLY A 19 25.062 23.346 33.026 1.00 15.26 O ATOM 334 H GLY A 19 23.454 23.501 29.156 1.00 0.00 H ATOM 335 HA3 GLY A 19 25.230 24.933 30.929 1.00 0.00 H ATOM 336 HA2 GLY A 19 25.417 23.327 30.339 1.00 0.00 H ATOM 337 N TYR A 20 22.952 23.094 32.229 1.00 13.11 N ATOM 338 CA TYR A 20 22.485 22.564 33.527 1.00 11.95 C ATOM 339 C TYR A 20 23.182 21.231 33.806 1.00 11.72 C ATOM 340 O TYR A 20 23.115 20.329 32.972 1.00 12.45 O ATOM 341 CB TYR A 20 20.955 22.340 33.453 1.00 12.49 C ATOM 342 CG TYR A 20 20.418 22.015 34.828 1.00 12.45 C ATOM 343 CD1 TYR A 20 20.105 23.006 35.723 1.00 15.37 C ATOM 344 CD2 TYR A 20 20.250 20.707 35.236 1.00 12.41 C ATOM 345 CE1 TYR A 20 19.621 22.714 36.994 1.00 16.89 C ATOM 346 CE2 TYR A 20 19.817 20.404 36.499 1.00 13.65 C ATOM 347 CZ TYR A 20 19.507 21.407 37.390 1.00 15.67 C ATOM 348 OH TYR A 20 19.060 21.105 38.655 1.00 20.08 O ATOM 349 H TYR A 20 22.322 23.181 31.444 1.00 0.00 H ATOM 350 HA TYR A 20 22.716 23.275 34.321 1.00 0.00 H ATOM 351 HB3 TYR A 20 20.741 21.514 32.775 1.00 0.00 H ATOM 352 HB2 TYR A 20 20.473 23.244 33.079 1.00 0.00 H ATOM 353 HD1 TYR A 20 20.233 24.042 35.447 1.00 0.00 H ATOM 354 HD2 TYR A 20 20.461 19.897 34.554 1.00 0.00 H ATOM 355 HE1 TYR A 20 19.338 23.515 37.661 1.00 0.00 H ATOM 356 HE2 TYR A 20 19.717 19.372 36.802 1.00 0.00 H ATOM 357 HH TYR A 20 18.821 21.915 39.112 1.00 0.00 H ATOM 358 N ARG A 21 23.859 21.134 34.935 1.00 13.06 N ATOM 359 CA ARG A 21 24.642 19.961 35.288 1.00 14.28 C ATOM 360 C ARG A 21 25.599 19.563 34.193 1.00 13.33 C ATOM 361 O ARG A 21 25.925 18.410 33.963 1.00 14.35 O ATOM 362 CB ARG A 21 23.740 18.801 35.734 1.00 16.78 C ATOM 363 CG ARG A 21 23.088 19.059 37.086 1.00 25.30 C ATOM 364 CD ARG A 21 23.859 18.352 38.197 1.00 33.61 C ATOM 365 NE ARG A 21 23.752 16.877 37.976 1.00 56.79 N ATOM 366 CZ ARG A 21 24.705 16.032 38.328 1.00 61.31 C ATOM 367 NH1 ARG A 21 25.569 16.384 39.274 1.00 60.56 N ATOM 368 NH2 ARG A 21 24.793 14.837 37.728 1.00 45.90 N1+ ATOM 369 H ARG A 21 23.847 21.896 35.598 1.00 0.00 H ATOM 370 HA ARG A 21 25.249 20.236 36.151 1.00 0.00 H ATOM 371 HB3 ARG A 21 24.327 17.884 35.784 1.00 0.00 H ATOM 372 HB2 ARG A 21 22.966 18.635 34.984 1.00 0.00 H ATOM 373 HG3 ARG A 21 22.061 18.695 37.069 1.00 0.00 H ATOM 374 HG2 ARG A 21 23.070 20.131 37.282 1.00 0.00 H ATOM 375 HD3 ARG A 21 23.421 18.607 39.162 1.00 0.00 H ATOM 376 HD2 ARG A 21 24.907 18.650 38.158 1.00 0.00 H ATOM 377 HE ARG A 21 22.909 16.534 37.538 1.00 0.00 H ATOM 378 HH12 ARG A 21 26.302 15.746 39.551 1.00 0.00 H ATOM 379 HH11 ARG A 21 25.493 17.289 39.716 1.00 0.00 H ATOM 380 HH22 ARG A 21 25.521 14.190 37.996 1.00 0.00 H ATOM 381 HH21 ARG A 21 24.132 14.583 37.008 1.00 0.00 H ATOM 382 N GLY A 22 26.128 20.591 33.491 1.00 12.43 N ATOM 383 CA GLY A 22 27.087 20.385 32.451 1.00 12.76 C ATOM 384 C GLY A 22 26.586 19.993 31.093 1.00 11.21 C ATOM 385 O GLY A 22 27.408 19.711 30.218 1.00 12.81 O ATOM 386 H GLY A 22 25.847 21.539 33.695 1.00 0.00 H ATOM 387 HA3 GLY A 22 27.823 19.654 32.784 1.00 0.00 H ATOM 388 HA2 GLY A 22 27.710 21.275 32.358 1.00 0.00 H ATOM 389 N ILE A 23 25.285 19.999 30.871 1.00 11.07 N ATOM 390 CA ILE A 23 24.650 19.514 29.659 1.00 11.77 C ATOM 391 C ILE A 23 24.285 20.670 28.748 1.00 10.74 C ATOM 392 O ILE A 23 23.453 21.531 29.081 1.00 12.48 O ATOM 393 CB ILE A 23 23.369 18.707 30.003 1.00 10.86 C ATOM 394 CG1 ILE A 23 23.694 17.562 30.989 1.00 12.80 C ATOM 395 CG2 ILE A 23 22.722 18.193 28.739 1.00 13.41 C ATOM 396 CD1 ILE A 23 22.419 16.978 31.643 1.00 14.46 C ATOM 397 H ILE A 23 24.655 20.360 31.573 1.00 0.00 H ATOM 398 HA ILE A 23 25.347 18.860 29.135 1.00 0.00 H ATOM 399 HB ILE A 23 22.666 19.382 30.491 1.00 0.00 H ATOM 400 HG13 ILE A 23 24.363 17.932 31.766 1.00 0.00 H ATOM 401 HG12 ILE A 23 24.226 16.770 30.462 1.00 0.00 H ATOM 402 HG21 ILE A 23 21.825 17.629 28.993 1.00 0.00 H ATOM 403 HG22 ILE A 23 22.453 19.034 28.100 1.00 0.00 H ATOM 404 HG23 ILE A 23 23.421 17.545 28.210 1.00 0.00 H ATOM 405 HD11 ILE A 23 22.696 16.177 32.328 1.00 0.00 H ATOM 406 HD12 ILE A 23 21.900 17.763 32.194 1.00 0.00 H ATOM 407 HD13 ILE A 23 21.761 16.583 30.869 1.00 0.00 H ATOM 408 N SER A 24 24.861 20.689 27.568 1.00 11.50 N ATOM 409 CA SER A 24 24.601 21.751 26.621 1.00 11.97 C ATOM 410 C SER A 24 23.203 21.666 26.049 1.00 11.84 C ATOM 411 O SER A 24 22.545 20.588 25.983 1.00 11.40 O ATOM 412 CB SER A 24 25.584 21.659 25.438 1.00 12.92 C ATOM 413 OG SER A 24 25.323 20.496 24.691 1.00 13.62 O ATOM 414 H SER A 24 25.500 19.952 27.306 1.00 0.00 H ATOM 415 HA SER A 24 24.727 22.713 27.118 1.00 0.00 H ATOM 416 HB3 SER A 24 26.606 21.626 25.817 1.00 0.00 H ATOM 417 HB2 SER A 24 25.467 22.535 24.799 1.00 0.00 H ATOM 418 HG SER A 24 25.788 20.543 23.852 1.00 0.00 H ATOM 419 N LEU A 25 22.710 22.782 25.568 1.00 12.17 N ATOM 420 CA LEU A 25 21.399 22.830 24.949 1.00 12.23 C ATOM 421 C LEU A 25 21.276 21.848 23.790 1.00 12.01 C ATOM 422 O LEU A 25 20.219 21.221 23.637 1.00 12.74 O ATOM 423 CB ALEU A 25 21.144 24.277 24.521 0.60 14.96 C ATOM 424 CB BLEU A 25 21.113 24.252 24.416 0.40 14.11 C ATOM 425 CG ALEU A 25 19.776 24.629 24.053 0.60 13.26 C ATOM 426 CG BLEU A 25 20.522 25.236 25.409 0.40 14.92 C ATOM 427 CD1ALEU A 25 18.708 24.285 25.059 0.60 18.00 C ATOM 428 CD1BLEU A 25 20.169 26.550 24.693 0.40 24.21 C ATOM 429 CD2ALEU A 25 19.713 26.119 23.664 0.60 15.14 C ATOM 430 CD2BLEU A 25 19.278 24.653 26.059 0.40 17.27 C ATOM 431 H LEU A 25 23.246 23.636 25.624 1.00 0.00 H ATOM 432 HA LEU A 25 20.657 22.562 25.702 1.00 0.00 H ATOM 433 HB3ALEU A 25 21.867 24.556 23.754 0.60 0.00 H ATOM 434 HB3BLEU A 25 20.461 24.185 23.545 0.40 0.00 H ATOM 435 HB2ALEU A 25 21.427 24.945 25.334 0.60 0.00 H ATOM 436 HB2BLEU A 25 22.029 24.670 23.998 0.40 0.00 H ATOM 437 HG ALEU A 25 19.578 24.047 23.153 0.60 0.00 H ATOM 438 HG BLEU A 25 21.261 25.443 26.183 0.40 0.00 H ATOM 439 HD11ALEU A 25 17.732 24.564 24.663 0.60 0.00 H ATOM 440 HD11BLEU A 25 19.745 27.253 25.410 0.40 0.00 H ATOM 441 HD12ALEU A 25 18.726 23.213 25.257 0.60 0.00 H ATOM 442 HD12BLEU A 25 21.070 26.979 24.254 0.40 0.00 H ATOM 443 HD13ALEU A 25 18.893 24.828 25.986 0.60 0.00 H ATOM 444 HD13BLEU A 25 19.441 26.351 23.906 0.40 0.00 H ATOM 445 HD21ALEU A 25 18.707 26.364 23.323 0.60 0.00 H ATOM 446 HD21BLEU A 25 18.867 25.372 26.768 0.40 0.00 H ATOM 447 HD22ALEU A 25 19.962 26.732 24.530 0.60 0.00 H ATOM 448 HD22BLEU A 25 18.535 24.435 25.292 0.40 0.00 H ATOM 449 HD23ALEU A 25 20.425 26.316 22.863 0.60 0.00 H ATOM 450 HD23BLEU A 25 19.538 23.734 26.584 0.40 0.00 H ATOM 451 N ALA A 26 22.330 21.709 23.002 1.00 11.62 N ATOM 452 CA ALA A 26 22.285 20.816 21.828 1.00 12.16 C ATOM 453 C ALA A 26 22.019 19.384 22.294 1.00 12.03 C ATOM 454 O ALA A 26 21.354 18.630 21.597 1.00 12.52 O ATOM 455 CB ALA A 26 23.548 20.901 21.007 1.00 14.36 C ATOM 456 H ALA A 26 23.180 22.218 23.201 1.00 0.00 H ATOM 457 HA ALA A 26 21.451 21.127 21.199 1.00 0.00 H ATOM 458 HB1 ALA A 26 23.473 20.228 20.153 1.00 0.00 H ATOM 459 HB2 ALA A 26 23.684 21.923 20.653 1.00 0.00 H ATOM 460 HB3 ALA A 26 24.401 20.614 21.621 1.00 0.00 H ATOM 461 N ASN A 27 22.594 19.000 23.433 1.00 11.30 N ATOM 462 CA ASN A 27 22.364 17.645 23.968 1.00 11.72 C ATOM 463 C ASN A 27 20.916 17.455 24.406 1.00 11.31 C ATOM 464 O ASN A 27 20.321 16.409 24.137 1.00 12.02 O ATOM 465 CB ASN A 27 23.358 17.343 25.057 1.00 11.67 C ATOM 466 CG ASN A 27 24.659 16.758 24.507 1.00 12.91 C ATOM 467 OD1 ASN A 27 24.658 15.703 23.905 1.00 15.81 O ATOM 468 ND2 ASN A 27 25.726 17.487 24.735 1.00 15.94 N ATOM 469 H ASN A 27 23.193 19.639 23.937 1.00 0.00 H ATOM 470 HA ASN A 27 22.551 16.942 23.157 1.00 0.00 H ATOM 471 HB3 ASN A 27 22.917 16.643 25.766 1.00 0.00 H ATOM 472 HB2 ASN A 27 23.577 18.256 25.611 1.00 0.00 H ATOM 473 HD22 ASN A 27 26.629 17.176 24.407 1.00 0.00 H ATOM 474 HD21 ASN A 27 25.644 18.359 25.239 1.00 0.00 H ATOM 475 N TRP A 28 20.317 18.465 25.020 1.00 10.26 N ATOM 476 CA TRP A 28 18.914 18.410 25.379 1.00 10.77 C ATOM 477 C TRP A 28 18.021 18.339 24.139 1.00 11.26 C ATOM 478 O TRP A 28 17.013 17.619 24.140 1.00 11.17 O ATOM 479 CB TRP A 28 18.490 19.581 26.215 1.00 10.49 C ATOM 480 CG TRP A 28 19.015 19.640 27.607 1.00 10.02 C ATOM 481 CD1 TRP A 28 19.898 20.585 28.115 1.00 12.17 C ATOM 482 CD2 TRP A 28 18.692 18.799 28.705 1.00 10.69 C ATOM 483 NE1 TRP A 28 20.104 20.360 29.440 1.00 12.53 N ATOM 484 CE2 TRP A 28 19.378 19.278 29.852 1.00 11.35 C ATOM 485 CE3 TRP A 28 17.841 17.700 28.828 1.00 12.47 C ATOM 486 CZ2 TRP A 28 19.244 18.656 31.070 1.00 13.34 C ATOM 487 CZ3 TRP A 28 17.701 17.101 30.049 1.00 14.07 C ATOM 488 CH2 TRP A 28 18.396 17.587 31.155 1.00 14.86 C ATOM 489 H TRP A 28 20.840 19.298 25.249 1.00 0.00 H ATOM 490 HA TRP A 28 18.752 17.504 25.963 1.00 0.00 H ATOM 491 HB3 TRP A 28 17.401 19.628 26.240 1.00 0.00 H ATOM 492 HB2 TRP A 28 18.747 20.504 25.695 1.00 0.00 H ATOM 493 HD1 TRP A 28 20.305 21.347 27.467 1.00 0.00 H ATOM 494 HE1 TRP A 28 20.724 20.961 29.964 1.00 0.00 H ATOM 495 HE3 TRP A 28 17.304 17.334 27.966 1.00 0.00 H ATOM 496 HZ2 TRP A 28 19.800 19.015 31.924 1.00 0.00 H ATOM 497 HZ3 TRP A 28 17.049 16.247 30.160 1.00 0.00 H ATOM 498 HH2 TRP A 28 18.247 17.090 32.102 1.00 0.00 H ATOM 499 N MET A 29 18.378 19.077 23.099 1.00 10.67 N ATOM 500 CA MET A 29 17.629 19.053 21.849 1.00 10.61 C ATOM 501 C MET A 29 17.704 17.677 21.197 1.00 11.13 C ATOM 502 O MET A 29 16.693 17.162 20.709 1.00 11.94 O ATOM 503 CB MET A 29 18.119 20.125 20.912 1.00 11.54 C ATOM 504 CG MET A 29 17.793 21.552 21.320 1.00 12.10 C ATOM 505 SD MET A 29 16.044 21.919 21.253 1.00 14.40 S ATOM 506 CE MET A 29 15.774 21.743 19.482 1.00 17.16 C ATOM 507 H MET A 29 19.188 19.677 23.160 1.00 0.00 H ATOM 508 HA MET A 29 16.584 19.260 22.079 1.00 0.00 H ATOM 509 HB3 MET A 29 17.725 19.937 19.913 1.00 0.00 H ATOM 510 HB2 MET A 29 19.197 20.025 20.782 1.00 0.00 H ATOM 511 HG3 MET A 29 18.333 22.245 20.675 1.00 0.00 H ATOM 512 HG2 MET A 29 18.163 21.733 22.329 1.00 0.00 H ATOM 513 HE1 MET A 29 14.726 21.938 19.253 1.00 0.00 H ATOM 514 HE2 MET A 29 16.401 22.455 18.946 1.00 0.00 H ATOM 515 HE3 MET A 29 16.031 20.729 19.174 1.00 0.00 H ATOM 516 N CYS A 30 18.905 17.088 21.188 1.00 11.31 N ATOM 517 CA CYS A 30 19.059 15.756 20.596 1.00 11.47 C ATOM 518 C CYS A 30 18.210 14.760 21.372 1.00 12.45 C ATOM 519 O CYS A 30 17.528 13.948 20.763 1.00 12.88 O ATOM 520 CB CYS A 30 20.534 15.375 20.616 1.00 12.22 C ATOM 521 SG CYS A 30 20.905 13.819 19.777 1.00 13.65 S ATOM 522 H CYS A 30 19.702 17.561 21.588 1.00 0.00 H ATOM 523 HA CYS A 30 18.715 15.786 19.562 1.00 0.00 H ATOM 524 HB3 CYS A 30 20.879 15.320 21.648 1.00 0.00 H ATOM 525 HB2 CYS A 30 21.120 16.177 20.167 1.00 0.00 H ATOM 526 N LEU A 31 18.163 14.867 22.682 1.00 11.57 N ATOM 527 CA LEU A 31 17.315 13.996 23.506 1.00 12.27 C ATOM 528 C LEU A 31 15.845 14.119 23.126 1.00 11.08 C ATOM 529 O LEU A 31 15.130 13.145 22.869 1.00 12.30 O ATOM 530 CB LEU A 31 17.517 14.324 24.975 1.00 13.03 C ATOM 531 CG LEU A 31 16.648 13.518 25.963 1.00 12.69 C ATOM 532 CD1 LEU A 31 17.018 12.071 25.969 1.00 15.53 C ATOM 533 CD2 LEU A 31 16.673 14.158 27.341 1.00 16.22 C ATOM 534 H LEU A 31 18.722 15.565 23.152 1.00 0.00 H ATOM 535 HA LEU A 31 17.625 12.964 23.341 1.00 0.00 H ATOM 536 HB3 LEU A 31 17.348 15.389 25.133 1.00 0.00 H ATOM 537 HB2 LEU A 31 18.568 14.194 25.232 1.00 0.00 H ATOM 538 HG LEU A 31 15.621 13.580 25.604 1.00 0.00 H ATOM 539 HD11 LEU A 31 16.384 11.536 26.677 1.00 0.00 H ATOM 540 HD12 LEU A 31 16.878 11.656 24.971 1.00 0.00 H ATOM 541 HD13 LEU A 31 18.062 11.964 26.264 1.00 0.00 H ATOM 542 HD21 LEU A 31 16.055 13.576 28.024 1.00 0.00 H ATOM 543 HD22 LEU A 31 17.698 14.184 27.712 1.00 0.00 H ATOM 544 HD23 LEU A 31 16.285 15.174 27.277 1.00 0.00 H ATOM 545 N ALA A 32 15.341 15.359 23.084 1.00 11.51 N ATOM 546 CA ALA A 32 13.945 15.580 22.790 1.00 11.12 C ATOM 547 C ALA A 32 13.589 15.112 21.387 1.00 11.09 C ATOM 548 O ALA A 32 12.496 14.555 21.170 1.00 13.12 O ATOM 549 CB ALA A 32 13.587 17.056 22.965 1.00 12.81 C ATOM 550 H ALA A 32 15.939 16.154 23.259 1.00 0.00 H ATOM 551 HA ALA A 32 13.354 15.002 23.500 1.00 0.00 H ATOM 552 HB1 ALA A 32 12.531 17.204 22.739 1.00 0.00 H ATOM 553 HB2 ALA A 32 13.784 17.359 23.993 1.00 0.00 H ATOM 554 HB3 ALA A 32 14.191 17.660 22.287 1.00 0.00 H ATOM 555 N LYS A 33 14.467 15.342 20.432 1.00 10.96 N ATOM 556 CA LYS A 33 14.200 14.939 19.054 1.00 12.88 C ATOM 557 C LYS A 33 13.941 13.432 18.989 1.00 12.92 C ATOM 558 O LYS A 33 12.985 12.977 18.421 1.00 14.54 O ATOM 559 CB LYS A 33 15.400 15.308 18.131 1.00 14.78 C ATOM 560 CG LYS A 33 14.968 15.206 16.633 1.00 24.35 C ATOM 561 CD LYS A 33 15.364 13.972 15.980 1.00 31.88 C ATOM 562 CE LYS A 33 14.741 13.739 14.601 1.00 43.51 C ATOM 563 NZ LYS A 33 14.426 15.036 13.927 1.00 44.62 N1+ ATOM 564 H LYS A 33 15.339 15.803 20.648 1.00 0.00 H ATOM 565 HA LYS A 33 13.312 15.463 18.701 1.00 0.00 H ATOM 566 HB3 LYS A 33 16.226 14.622 18.318 1.00 0.00 H ATOM 567 HB2 LYS A 33 15.724 16.326 18.347 1.00 0.00 H ATOM 568 HG3 LYS A 33 15.375 16.053 16.081 1.00 0.00 H ATOM 569 HG2 LYS A 33 13.887 15.322 16.560 1.00 0.00 H ATOM 570 HD3 LYS A 33 15.128 13.129 16.629 1.00 0.00 H ATOM 571 HD2 LYS A 33 16.450 13.942 15.895 1.00 0.00 H ATOM 572 HE3 LYS A 33 13.827 13.155 14.710 1.00 0.00 H ATOM 573 HE2 LYS A 33 15.433 13.167 13.982 1.00 0.00 H ATOM 574 HZ1 LYS A 33 13.582 15.425 14.323 1.00 0.00 H ATOM 575 HZ2 LYS A 33 15.191 15.682 14.064 1.00 0.00 H ATOM 576 HZ3 LYS A 33 14.292 14.878 12.938 1.00 0.00 H ATOM 577 N TRP A 34 14.879 12.666 19.560 1.00 12.70 N ATOM 578 CA TRP A 34 14.788 11.225 19.449 1.00 13.46 C ATOM 579 C TRP A 34 13.802 10.596 20.365 1.00 13.18 C ATOM 580 O TRP A 34 13.317 9.481 20.088 1.00 18.23 O ATOM 581 CB TRP A 34 16.172 10.584 19.464 1.00 14.44 C ATOM 582 CG TRP A 34 16.954 11.032 18.252 1.00 13.70 C ATOM 583 CD1 TRP A 34 17.973 11.930 18.214 1.00 14.63 C ATOM 584 CD2 TRP A 34 16.685 10.657 16.901 1.00 16.12 C ATOM 585 NE1 TRP A 34 18.382 12.118 16.934 1.00 17.71 N ATOM 586 CE2 TRP A 34 17.619 11.344 16.089 1.00 16.71 C ATOM 587 CE3 TRP A 34 15.783 9.776 16.292 1.00 17.51 C ATOM 588 CZ2 TRP A 34 17.675 11.208 14.719 1.00 23.07 C ATOM 589 CZ3 TRP A 34 15.837 9.651 14.906 1.00 23.60 C ATOM 590 CH2 TRP A 34 16.751 10.345 14.140 1.00 24.86 C ATOM 591 H TRP A 34 15.643 13.094 20.064 1.00 0.00 H ATOM 592 HA TRP A 34 14.401 11.042 18.447 1.00 0.00 H ATOM 593 HB3 TRP A 34 16.070 9.499 19.449 1.00 0.00 H ATOM 594 HB2 TRP A 34 16.701 10.884 20.369 1.00 0.00 H ATOM 595 HD1 TRP A 34 18.335 12.375 19.129 1.00 0.00 H ATOM 596 HE1 TRP A 34 19.142 12.753 16.735 1.00 0.00 H ATOM 597 HE3 TRP A 34 15.078 9.222 16.895 1.00 0.00 H ATOM 598 HZ2 TRP A 34 18.411 11.758 14.151 1.00 0.00 H ATOM 599 HZ3 TRP A 34 15.149 8.994 14.396 1.00 0.00 H ATOM 600 HH2 TRP A 34 16.739 10.207 13.069 1.00 0.00 H ATOM 601 N GLU A 35 13.471 11.221 21.488 1.00 12.38 N ATOM 602 CA GLU A 35 12.479 10.646 22.385 1.00 13.11 C ATOM 603 C GLU A 35 11.060 10.828 21.880 1.00 13.40 C ATOM 604 O GLU A 35 10.262 9.902 21.956 1.00 14.31 O ATOM 605 CB GLU A 35 12.595 11.280 23.791 1.00 13.51 C ATOM 606 CG GLU A 35 13.817 10.822 24.565 1.00 13.78 C ATOM 607 CD GLU A 35 13.815 9.353 24.967 1.00 15.30 C ATOM 608 OE1 GLU A 35 12.820 8.666 24.771 1.00 17.48 O ATOM 609 OE2 GLU A 35 14.889 8.904 25.474 1.00 19.70 O1- ATOM 610 H GLU A 35 13.908 12.100 21.724 1.00 0.00 H ATOM 611 HA GLU A 35 12.676 9.578 22.474 1.00 0.00 H ATOM 612 HB3 GLU A 35 11.697 11.053 24.365 1.00 0.00 H ATOM 613 HB2 GLU A 35 12.612 12.366 23.698 1.00 0.00 H ATOM 614 HG3 GLU A 35 13.932 11.439 25.456 1.00 0.00 H ATOM 615 HG2 GLU A 35 14.713 11.035 23.983 1.00 0.00 H ATOM 616 N SER A 36 10.733 12.028 21.378 1.00 13.52 N ATOM 617 CA SER A 36 9.358 12.389 21.070 1.00 13.25 C ATOM 618 C SER A 36 9.132 13.121 19.778 1.00 13.07 C ATOM 619 O SER A 36 7.969 13.426 19.434 1.00 15.89 O ATOM 620 CB SER A 36 8.817 13.269 22.217 1.00 13.02 C ATOM 621 OG SER A 36 9.468 14.521 22.182 1.00 13.33 O ATOM 622 H SER A 36 11.452 12.715 21.202 1.00 0.00 H ATOM 623 HA SER A 36 8.768 11.473 21.044 1.00 0.00 H ATOM 624 HB3 SER A 36 9.016 12.783 23.172 1.00 0.00 H ATOM 625 HB2 SER A 36 7.744 13.414 22.089 1.00 0.00 H ATOM 626 HG SER A 36 10.147 14.548 22.860 1.00 0.00 H ATOM 627 N GLY A 37 10.165 13.482 19.060 1.00 14.49 N ATOM 628 CA GLY A 37 9.981 14.356 17.880 1.00 14.62 C ATOM 629 C GLY A 37 9.443 15.715 18.268 1.00 12.70 C ATOM 630 O GLY A 37 8.732 16.379 17.513 1.00 16.12 O ATOM 631 H GLY A 37 11.090 13.164 19.311 1.00 0.00 H ATOM 632 HA3 GLY A 37 9.294 13.880 17.180 1.00 0.00 H ATOM 633 HA2 GLY A 37 10.935 14.477 17.366 1.00 0.00 H ATOM 634 N TYR A 38 9.807 16.178 19.475 1.00 12.50 N ATOM 635 CA TYR A 38 9.408 17.471 19.976 1.00 12.41 C ATOM 636 C TYR A 38 7.935 17.584 20.274 1.00 12.36 C ATOM 637 O TYR A 38 7.348 18.680 20.241 1.00 15.84 O ATOM 638 CB TYR A 38 9.853 18.614 19.064 1.00 13.48 C ATOM 639 CG TYR A 38 11.281 18.626 18.580 1.00 12.71 C ATOM 640 CD1 TYR A 38 12.360 18.378 19.402 1.00 13.92 C ATOM 641 CD2 TYR A 38 11.559 18.981 17.243 1.00 15.27 C ATOM 642 CE1 TYR A 38 13.654 18.412 18.955 1.00 14.18 C ATOM 643 CE2 TYR A 38 12.861 19.046 16.797 1.00 16.12 C ATOM 644 CZ TYR A 38 13.912 18.754 17.634 1.00 14.45 C ATOM 645 OH TYR A 38 15.231 18.799 17.205 1.00 16.66 O ATOM 646 H TYR A 38 10.387 15.613 20.079 1.00 0.00 H ATOM 647 HA TYR A 38 9.928 17.610 20.924 1.00 0.00 H ATOM 648 HB3 TYR A 38 9.633 19.565 19.550 1.00 0.00 H ATOM 649 HB2 TYR A 38 9.185 18.666 18.205 1.00 0.00 H ATOM 650 HD1 TYR A 38 12.202 18.145 20.445 1.00 0.00 H ATOM 651 HD2 TYR A 38 10.749 19.203 16.564 1.00 0.00 H ATOM 652 HE1 TYR A 38 14.464 18.174 19.628 1.00 0.00 H ATOM 653 HE2 TYR A 38 13.068 19.330 15.776 1.00 0.00 H ATOM 654 HH TYR A 38 15.803 18.449 17.891 1.00 0.00 H ATOM 655 N ASN A 39 7.306 16.465 20.659 1.00 13.71 N ATOM 656 CA ASN A 39 5.879 16.359 20.885 1.00 13.00 C ATOM 657 C ASN A 39 5.551 16.131 22.346 1.00 12.31 C ATOM 658 O ASN A 39 5.908 15.115 22.912 1.00 13.82 O ATOM 659 CB ASN A 39 5.368 15.166 20.057 1.00 14.34 C ATOM 660 CG ASN A 39 3.885 14.906 20.192 1.00 15.85 C ATOM 661 OD1 ASN A 39 3.123 15.704 20.753 1.00 15.88 O ATOM 662 ND2 ASN A 39 3.464 13.758 19.662 1.00 20.01 N ATOM 663 H ASN A 39 7.833 15.617 20.812 1.00 0.00 H ATOM 664 HA ASN A 39 5.390 17.271 20.543 1.00 0.00 H ATOM 665 HB3 ASN A 39 5.919 14.269 20.338 1.00 0.00 H ATOM 666 HB2 ASN A 39 5.613 15.324 19.007 1.00 0.00 H ATOM 667 HD22 ASN A 39 2.487 13.508 19.710 1.00 0.00 H ATOM 668 HD21 ASN A 39 4.122 13.138 19.213 1.00 0.00 H ATOM 669 N THR A 40 4.861 17.102 22.952 1.00 11.81 N ATOM 670 CA THR A 40 4.480 17.062 24.330 1.00 12.68 C ATOM 671 C THR A 40 3.464 15.998 24.676 1.00 12.56 C ATOM 672 O THR A 40 3.341 15.671 25.857 1.00 15.38 O ATOM 673 CB THR A 40 4.053 18.413 24.887 1.00 13.66 C ATOM 674 OG1 THR A 40 2.833 18.798 24.300 1.00 14.74 O ATOM 675 CG2 THR A 40 5.052 19.505 24.682 1.00 15.36 C ATOM 676 H THR A 40 4.580 17.921 22.433 1.00 0.00 H ATOM 677 HA THR A 40 5.384 16.792 24.876 1.00 0.00 H ATOM 678 HB THR A 40 3.891 18.300 25.959 1.00 0.00 H ATOM 679 HG1 THR A 40 2.274 19.211 24.963 1.00 0.00 H ATOM 680 HG21 THR A 40 4.670 20.433 25.108 1.00 0.00 H ATOM 681 HG22 THR A 40 5.988 19.239 25.173 1.00 0.00 H ATOM 682 HG23 THR A 40 5.228 19.641 23.615 1.00 0.00 H ATOM 683 N ARG A 41 2.683 15.527 23.715 1.00 13.38 N ATOM 684 CA ARG A 41 1.611 14.570 23.940 1.00 16.46 C ATOM 685 C ARG A 41 2.084 13.133 23.804 1.00 15.27 C ATOM 686 O ARG A 41 1.300 12.234 24.012 1.00 19.49 O ATOM 687 CB AARG A 41 0.556 14.805 22.790 0.50 17.28 C ATOM 688 CB BARG A 41 0.404 14.821 23.012 0.50 22.02 C ATOM 689 CG AARG A 41 -0.861 14.547 23.181 0.50 34.08 C ATOM 690 CG BARG A 41 0.422 13.915 21.782 0.50 26.26 C ATOM 691 CD AARG A 41 -1.802 14.622 21.969 0.50 39.13 C ATOM 692 CD BARG A 41 -0.248 12.591 22.038 0.50 43.32 C ATOM 693 NE AARG A 41 -2.546 13.373 21.811 0.50 41.14 N ATOM 694 NE BARG A 41 0.508 11.430 21.568 0.50 47.48 N ATOM 695 CZ AARG A 41 -3.514 12.949 22.600 0.50 39.71 C ATOM 696 CZ BARG A 41 0.547 10.269 22.215 0.50 46.49 C ATOM 697 NH1AARG A 41 -4.337 13.805 23.213 0.50 40.71 N ATOM 698 NH1BARG A 41 -0.229 10.057 23.275 0.50 39.83 N ATOM 699 NH2AARG A 41 -3.707 11.645 22.786 0.50 42.79 N1+ ATOM 700 NH2BARG A 41 1.362 9.292 21.816 0.50 40.93 N1+ ATOM 701 H ARG A 41 2.816 15.832 22.761 1.00 0.00 H ATOM 702 HA ARG A 41 1.154 14.731 24.916 1.00 0.00 H ATOM 703 HB3AARG A 41 0.813 14.183 21.932 0.50 0.00 H ATOM 704 HB3BARG A 41 0.402 15.864 22.694 0.50 0.00 H ATOM 705 HB2AARG A 41 0.648 15.826 22.419 0.50 0.00 H ATOM 706 HB2BARG A 41 -0.520 14.660 23.567 0.50 0.00 H ATOM 707 HG3AARG A 41 -1.171 15.279 23.927 0.50 0.00 H ATOM 708 HG3BARG A 41 1.453 13.745 21.472 0.50 0.00 H ATOM 709 HG2AARG A 41 -0.937 13.561 23.639 0.50 0.00 H ATOM 710 HG2BARG A 41 -0.076 14.419 20.953 0.50 0.00 H ATOM 711 HD3AARG A 41 -1.219 14.814 21.068 0.50 0.00 H ATOM 712 HD3BARG A 41 -1.235 12.590 21.576 0.50 0.00 H ATOM 713 HD2AARG A 41 -2.502 15.447 22.103 0.50 0.00 H ATOM 714 HD2BARG A 41 -0.445 12.486 23.105 0.50 0.00 H ATOM 715 HE AARG A 41 -2.262 12.818 21.017 0.50 0.00 H ATOM 716 HE BARG A 41 1.018 11.544 20.704 0.50 0.00 H ATOM 717 HH12AARG A 41 -5.072 13.458 23.813 0.50 0.00 H ATOM 718 HH12BARG A 41 -0.192 9.171 23.759 0.50 0.00 H ATOM 719 HH11AARG A 41 -4.225 14.799 23.076 0.50 0.00 H ATOM 720 HH11BARG A 41 -0.855 10.782 23.595 0.50 0.00 H ATOM 721 HH22AARG A 41 -4.450 11.326 23.391 0.50 0.00 H ATOM 722 HH22BARG A 41 1.382 8.415 22.316 0.50 0.00 H ATOM 723 HH21AARG A 41 -3.111 10.975 22.322 0.50 0.00 H ATOM 724 HH21BARG A 41 1.960 9.429 21.013 0.50 0.00 H ATOM 725 N ALA A 42 3.337 12.897 23.473 1.00 15.38 N ATOM 726 CA ALA A 42 3.870 11.573 23.236 1.00 15.24 C ATOM 727 C ALA A 42 3.753 10.690 24.460 1.00 14.57 C ATOM 728 O ALA A 42 4.086 11.112 25.565 1.00 14.15 O ATOM 729 CB ALA A 42 5.323 11.637 22.776 1.00 19.09 C ATOM 730 H ALA A 42 3.986 13.664 23.372 1.00 0.00 H ATOM 731 HA ALA A 42 3.286 11.116 22.437 1.00 0.00 H ATOM 732 HB1 ALA A 42 5.696 10.627 22.606 1.00 0.00 H ATOM 733 HB2 ALA A 42 5.387 12.208 21.850 1.00 0.00 H ATOM 734 HB3 ALA A 42 5.927 12.122 23.543 1.00 0.00 H ATOM 735 N THR A 43 3.260 9.480 24.271 1.00 16.63 N ATOM 736 CA THR A 43 3.241 8.517 25.361 1.00 16.63 C ATOM 737 C THR A 43 3.667 7.153 24.770 1.00 17.66 C ATOM 738 O THR A 43 3.342 6.827 23.645 1.00 23.52 O ATOM 739 CB THR A 43 1.854 8.327 25.975 1.00 21.44 C ATOM 740 OG1 THR A 43 0.986 7.905 24.925 1.00 28.38 O ATOM 741 CG2 THR A 43 1.343 9.615 26.592 1.00 24.72 C ATOM 742 H THR A 43 2.894 9.219 23.366 1.00 0.00 H ATOM 743 HA THR A 43 3.948 8.821 26.133 1.00 0.00 H ATOM 744 HB THR A 43 1.900 7.552 26.740 1.00 0.00 H ATOM 745 HG1 THR A 43 1.308 7.080 24.555 1.00 0.00 H ATOM 746 HG21 THR A 43 0.355 9.446 27.020 1.00 0.00 H ATOM 747 HG22 THR A 43 2.027 9.939 27.376 1.00 0.00 H ATOM 748 HG23 THR A 43 1.279 10.386 25.824 1.00 0.00 H ATOM 749 N ASN A 44 4.331 6.372 25.593 1.00 17.38 N ATOM 750 CA ASN A 44 4.755 5.019 25.135 1.00 17.36 C ATOM 751 C ASN A 44 4.576 4.064 26.314 1.00 16.77 C ATOM 752 O ASN A 44 5.152 4.263 27.386 1.00 16.39 O ATOM 753 CB ASN A 44 6.241 5.082 24.738 1.00 21.27 C ATOM 754 CG ASN A 44 6.834 3.751 24.383 1.00 33.34 C ATOM 755 OD1 ASN A 44 6.286 3.059 23.529 1.00 40.32 O ATOM 756 ND2 ASN A 44 7.952 3.388 25.019 1.00 43.32 N ATOM 757 H ASN A 44 4.549 6.691 26.526 1.00 0.00 H ATOM 758 HA ASN A 44 4.148 4.696 24.289 1.00 0.00 H ATOM 759 HB3 ASN A 44 6.814 5.528 25.551 1.00 0.00 H ATOM 760 HB2 ASN A 44 6.362 5.767 23.899 1.00 0.00 H ATOM 761 HD22 ASN A 44 8.386 2.500 24.811 1.00 0.00 H ATOM 762 HD21 ASN A 44 8.363 4.002 25.708 1.00 0.00 H ATOM 763 N TYR A 45 3.732 3.057 26.152 1.00 20.06 N ATOM 764 CA TYR A 45 3.513 2.063 27.172 1.00 19.26 C ATOM 765 C TYR A 45 4.540 0.925 27.028 1.00 18.33 C ATOM 766 O TYR A 45 4.715 0.435 25.928 1.00 21.79 O ATOM 767 CB TYR A 45 2.111 1.506 27.097 1.00 21.83 C ATOM 768 CG TYR A 45 1.801 0.453 28.123 1.00 20.44 C ATOM 769 CD1 TYR A 45 1.838 0.725 29.479 1.00 22.19 C ATOM 770 CD2 TYR A 45 1.462 -0.847 27.706 1.00 22.96 C ATOM 771 CE1 TYR A 45 1.572 -0.260 30.409 1.00 21.20 C ATOM 772 CE2 TYR A 45 1.190 -1.816 28.661 1.00 22.77 C ATOM 773 CZ TYR A 45 1.222 -1.521 29.974 1.00 22.00 C ATOM 774 OH TYR A 45 0.960 -2.513 30.936 1.00 25.95 O ATOM 775 H TYR A 45 3.214 2.966 25.290 1.00 0.00 H ATOM 776 HA TYR A 45 3.648 2.531 28.147 1.00 0.00 H ATOM 777 HB3 TYR A 45 1.936 1.101 26.100 1.00 0.00 H ATOM 778 HB2 TYR A 45 1.393 2.321 27.188 1.00 0.00 H ATOM 779 HD1 TYR A 45 2.078 1.720 29.824 1.00 0.00 H ATOM 780 HD2 TYR A 45 1.416 -1.081 26.653 1.00 0.00 H ATOM 781 HE1 TYR A 45 1.639 -0.039 31.464 1.00 0.00 H ATOM 782 HE2 TYR A 45 0.948 -2.823 28.355 1.00 0.00 H ATOM 783 HH TYR A 45 1.328 -2.245 31.781 1.00 0.00 H ATOM 784 N ASN A 46 5.173 0.578 28.130 1.00 17.53 N ATOM 785 CA ASN A 46 6.145 -0.535 28.156 1.00 18.07 C ATOM 786 C ASN A 46 5.452 -1.751 28.797 1.00 16.83 C ATOM 787 O ASN A 46 5.302 -1.863 30.007 1.00 18.09 O ATOM 788 CB ASN A 46 7.347 -0.113 29.017 1.00 19.02 C ATOM 789 CG ASN A 46 8.032 1.113 28.448 1.00 21.80 C ATOM 790 OD1 ASN A 46 8.568 1.111 27.341 1.00 27.14 O ATOM 791 ND2 ASN A 46 7.965 2.246 29.159 1.00 24.42 N ATOM 792 H ASN A 46 5.000 1.078 28.991 1.00 0.00 H ATOM 793 HA ASN A 46 6.471 -0.776 27.144 1.00 0.00 H ATOM 794 HB3 ASN A 46 8.061 -0.935 29.071 1.00 0.00 H ATOM 795 HB2 ASN A 46 7.010 0.098 30.032 1.00 0.00 H ATOM 796 HD22 ASN A 46 8.409 3.085 28.814 1.00 0.00 H ATOM 797 HD21 ASN A 46 7.471 2.261 30.040 1.00 0.00 H ATOM 798 N ALA A 47 4.949 -2.613 27.932 1.00 19.59 N ATOM 799 CA ALA A 47 4.180 -3.787 28.341 1.00 23.80 C ATOM 800 C ALA A 47 4.984 -4.675 29.243 1.00 22.64 C ATOM 801 O ALA A 47 4.428 -5.361 30.130 1.00 24.61 O ATOM 802 CB ALA A 47 3.767 -4.553 27.068 1.00 27.76 C ATOM 803 H ALA A 47 5.089 -2.475 26.941 1.00 0.00 H ATOM 804 HA ALA A 47 3.283 -3.461 28.868 1.00 0.00 H ATOM 805 HB1 ALA A 47 3.191 -5.436 27.345 1.00 0.00 H ATOM 806 HB2 ALA A 47 3.159 -3.906 26.436 1.00 0.00 H ATOM 807 HB3 ALA A 47 4.659 -4.859 26.522 1.00 0.00 H ATOM 808 N GLY A 48 6.291 -4.728 29.062 1.00 19.99 N ATOM 809 CA GLY A 48 7.121 -5.614 29.881 1.00 22.07 C ATOM 810 C GLY A 48 7.117 -5.302 31.337 1.00 19.81 C ATOM 811 O GLY A 48 7.070 -6.214 32.178 1.00 24.08 O ATOM 812 H GLY A 48 6.726 -4.154 28.354 1.00 0.00 H ATOM 813 HA3 GLY A 48 8.146 -5.593 29.510 1.00 0.00 H ATOM 814 HA2 GLY A 48 6.803 -6.646 29.732 1.00 0.00 H ATOM 815 N ASP A 49 7.207 -4.043 31.723 1.00 18.77 N ATOM 816 CA ASP A 49 7.294 -3.688 33.131 1.00 20.35 C ATOM 817 C ASP A 49 6.151 -2.839 33.617 1.00 17.80 C ATOM 818 O ASP A 49 6.133 -2.428 34.786 1.00 21.18 O ATOM 819 CB ASP A 49 8.646 -3.074 33.418 1.00 20.26 C ATOM 820 CG ASP A 49 8.837 -1.660 32.995 1.00 24.33 C ATOM 821 OD1 ASP A 49 7.959 -1.090 32.347 1.00 19.65 O ATOM 822 OD2 ASP A 49 9.836 -1.022 33.431 1.00 32.10 O1- ATOM 823 H ASP A 49 7.216 -3.303 31.035 1.00 0.00 H ATOM 824 HA ASP A 49 7.250 -4.622 33.692 1.00 0.00 H ATOM 825 HB3 ASP A 49 9.423 -3.691 32.968 1.00 0.00 H ATOM 826 HB2 ASP A 49 8.862 -3.162 34.483 1.00 0.00 H ATOM 827 N ARG A 50 5.158 -2.599 32.763 1.00 19.86 N ATOM 828 CA ARG A 50 3.939 -1.915 33.099 1.00 19.68 C ATOM 829 C ARG A 50 4.094 -0.457 33.384 1.00 18.06 C ATOM 830 O ARG A 50 3.206 0.202 33.985 1.00 22.50 O ATOM 831 CB ARG A 50 3.200 -2.645 34.216 1.00 26.39 C ATOM 832 CG ARG A 50 2.550 -3.939 33.724 1.00 33.44 C ATOM 833 CD ARG A 50 1.911 -4.700 34.872 1.00 35.73 C ATOM 834 NE ARG A 50 2.591 -5.971 35.054 1.00 39.51 N ATOM 835 CZ ARG A 50 2.175 -6.978 35.778 1.00 35.58 C ATOM 836 NH1 ARG A 50 0.873 -7.269 35.801 1.00 54.84 N ATOM 837 NH2 ARG A 50 3.065 -7.729 36.399 1.00 33.65 N1+ ATOM 838 H ARG A 50 5.232 -2.905 31.803 1.00 0.00 H ATOM 839 HA ARG A 50 3.301 -1.985 32.218 1.00 0.00 H ATOM 840 HB3 ARG A 50 2.434 -1.990 34.632 1.00 0.00 H ATOM 841 HB2 ARG A 50 3.897 -2.873 35.023 1.00 0.00 H ATOM 842 HG3 ARG A 50 3.304 -4.566 33.248 1.00 0.00 H ATOM 843 HG2 ARG A 50 1.791 -3.703 32.978 1.00 0.00 H ATOM 844 HD3 ARG A 50 0.860 -4.880 34.648 1.00 0.00 H ATOM 845 HD2 ARG A 50 1.990 -4.112 35.786 1.00 0.00 H ATOM 846 HE ARG A 50 3.466 -6.036 34.553 1.00 0.00 H ATOM 847 HH12 ARG A 50 0.538 -8.044 36.356 1.00 0.00 H ATOM 848 HH11 ARG A 50 0.222 -6.714 35.264 1.00 0.00 H ATOM 849 HH22 ARG A 50 2.761 -8.511 36.962 1.00 0.00 H ATOM 850 HH21 ARG A 50 4.050 -7.522 36.311 1.00 0.00 H ATOM 851 N SER A 51 5.152 0.137 32.914 1.00 16.75 N ATOM 852 CA SER A 51 5.374 1.603 33.083 1.00 15.62 C ATOM 853 C SER A 51 5.096 2.291 31.750 1.00 15.04 C ATOM 854 O SER A 51 5.018 1.698 30.714 1.00 16.06 O ATOM 855 CB SER A 51 6.841 1.812 33.449 1.00 14.40 C ATOM 856 OG SER A 51 7.714 1.576 32.374 1.00 15.71 O ATOM 857 H SER A 51 5.852 -0.396 32.418 1.00 0.00 H ATOM 858 HA SER A 51 4.724 2.001 33.862 1.00 0.00 H ATOM 859 HB3 SER A 51 7.104 1.157 34.279 1.00 0.00 H ATOM 860 HB2 SER A 51 6.982 2.830 33.813 1.00 0.00 H ATOM 861 HG SER A 51 7.864 0.632 32.284 1.00 0.00 H ATOM 862 N THR A 52 4.907 3.628 31.862 1.00 13.80 N ATOM 863 CA THR A 52 4.643 4.431 30.672 1.00 11.94 C ATOM 864 C THR A 52 5.639 5.601 30.639 1.00 12.46 C ATOM 865 O THR A 52 5.975 6.164 31.724 1.00 13.36 O ATOM 866 CB THR A 52 3.205 4.970 30.719 1.00 13.80 C ATOM 867 OG1 THR A 52 2.307 3.822 30.750 1.00 15.81 O ATOM 868 CG2 THR A 52 2.836 5.825 29.550 1.00 13.89 C ATOM 869 H THR A 52 4.949 4.070 32.769 1.00 0.00 H ATOM 870 HA THR A 52 4.773 3.816 29.781 1.00 0.00 H ATOM 871 HB THR A 52 3.073 5.547 31.634 1.00 0.00 H ATOM 872 HG1 THR A 52 2.741 3.087 31.189 1.00 0.00 H ATOM 873 HG21 THR A 52 1.806 6.165 29.659 1.00 0.00 H ATOM 874 HG22 THR A 52 3.501 6.688 29.506 1.00 0.00 H ATOM 875 HG23 THR A 52 2.932 5.246 28.631 1.00 0.00 H ATOM 876 N ASP A 53 6.075 5.980 29.482 1.00 12.43 N ATOM 877 CA ASP A 53 6.934 7.155 29.274 1.00 12.59 C ATOM 878 C ASP A 53 6.054 8.312 28.761 1.00 12.09 C ATOM 879 O ASP A 53 5.254 8.120 27.856 1.00 13.31 O ATOM 880 CB ASP A 53 8.006 6.834 28.245 1.00 14.50 C ATOM 881 CG ASP A 53 8.861 5.652 28.634 1.00 17.20 C ATOM 882 OD1 ASP A 53 9.299 5.611 29.781 1.00 20.85 O ATOM 883 OD2 ASP A 53 9.062 4.770 27.774 1.00 22.38 O1- ATOM 884 H ASP A 53 5.828 5.458 28.653 1.00 0.00 H ATOM 885 HA ASP A 53 7.402 7.439 30.216 1.00 0.00 H ATOM 886 HB3 ASP A 53 8.641 7.708 28.099 1.00 0.00 H ATOM 887 HB2 ASP A 53 7.536 6.639 27.281 1.00 0.00 H ATOM 888 N ASP A 54 6.236 9.474 29.392 1.00 12.07 N ATOM 889 CA ASP A 54 5.360 10.611 29.098 1.00 11.10 C ATOM 890 C ASP A 54 6.095 11.849 28.597 1.00 11.14 C ATOM 891 O ASP A 54 7.088 12.286 29.178 1.00 11.73 O ATOM 892 CB ASP A 54 4.649 11.025 30.400 1.00 0.00 C ATOM 893 CG ASP A 54 3.614 10.038 30.945 1.00 0.00 C ATOM 894 OD1 ASP A 54 4.024 9.161 31.740 1.00 0.00 O ATOM 895 OD2 ASP A 54 2.444 10.154 30.525 1.00 0.00 O1- ATOM 896 HB2 ASP A 54 5.387 11.157 31.191 1.00 0.00 H ATOM 897 HB3 ASP A 54 4.117 11.963 30.241 1.00 0.00 H ATOM 898 H ASP A 54 6.977 9.569 30.072 1.00 0.00 H ATOM 899 HA ASP A 54 4.615 10.311 28.361 1.00 0.00 H ATOM 900 N GLY A 55 5.509 12.446 27.561 1.00 12.01 N ATOM 901 CA GLY A 55 5.848 13.785 27.127 1.00 11.22 C ATOM 902 C GLY A 55 7.084 13.913 26.306 1.00 11.31 C ATOM 903 O GLY A 55 7.644 12.978 25.750 1.00 11.64 O ATOM 904 H GLY A 55 4.792 11.963 27.039 1.00 0.00 H ATOM 905 HA3 GLY A 55 5.926 14.436 27.998 1.00 0.00 H ATOM 906 HA2 GLY A 55 5.007 14.209 26.579 1.00 0.00 H ATOM 907 N ILE A 56 7.539 15.185 26.216 1.00 11.13 N ATOM 908 CA ILE A 56 8.581 15.546 25.294 1.00 11.06 C ATOM 909 C ILE A 56 9.899 14.887 25.555 1.00 10.21 C ATOM 910 O ILE A 56 10.688 14.614 24.618 1.00 12.58 O ATOM 911 CB ILE A 56 8.718 17.087 25.191 1.00 12.23 C ATOM 912 CG1 ILE A 56 9.460 17.541 23.947 1.00 12.28 C ATOM 913 CG2 ILE A 56 9.279 17.685 26.450 1.00 13.92 C ATOM 914 CD1 ILE A 56 9.256 19.016 23.599 1.00 18.90 C ATOM 915 H ILE A 56 7.145 15.905 26.805 1.00 0.00 H ATOM 916 HA ILE A 56 8.255 15.201 24.313 1.00 0.00 H ATOM 917 HB ILE A 56 7.704 17.475 25.097 1.00 0.00 H ATOM 918 HG13 ILE A 56 9.157 16.925 23.101 1.00 0.00 H ATOM 919 HG12 ILE A 56 10.525 17.343 24.069 1.00 0.00 H ATOM 920 HG21 ILE A 56 9.359 18.766 26.335 1.00 0.00 H ATOM 921 HG22 ILE A 56 8.619 17.457 27.287 1.00 0.00 H ATOM 922 HG23 ILE A 56 10.267 17.267 26.643 1.00 0.00 H ATOM 923 HD11 ILE A 56 9.820 19.259 22.698 1.00 0.00 H ATOM 924 HD12 ILE A 56 8.197 19.206 23.426 1.00 0.00 H ATOM 925 HD13 ILE A 56 9.606 19.636 24.424 1.00 0.00 H ATOM 926 N PHE A 57 10.194 14.578 26.826 1.00 10.80 N ATOM 927 CA PHE A 57 11.392 13.881 27.211 1.00 11.58 C ATOM 928 C PHE A 57 11.153 12.414 27.572 1.00 12.60 C ATOM 929 O PHE A 57 12.107 11.705 27.981 1.00 14.93 O ATOM 930 CB PHE A 57 12.050 14.560 28.421 1.00 13.21 C ATOM 931 CG PHE A 57 12.493 15.983 28.189 1.00 13.29 C ATOM 932 CD1 PHE A 57 13.406 16.296 27.217 1.00 15.83 C ATOM 933 CD2 PHE A 57 12.011 17.001 29.011 1.00 17.07 C ATOM 934 CE1 PHE A 57 13.802 17.586 27.020 1.00 21.11 C ATOM 935 CE2 PHE A 57 12.437 18.297 28.839 1.00 22.69 C ATOM 936 CZ PHE A 57 13.324 18.607 27.832 1.00 22.40 C ATOM 937 H PHE A 57 9.560 14.836 27.569 1.00 0.00 H ATOM 938 HA PHE A 57 12.092 13.918 26.376 1.00 0.00 H ATOM 939 HB3 PHE A 57 12.903 13.966 28.748 1.00 0.00 H ATOM 940 HB2 PHE A 57 11.365 14.529 29.268 1.00 0.00 H ATOM 941 HD1 PHE A 57 13.821 15.517 26.595 1.00 0.00 H ATOM 942 HD2 PHE A 57 11.298 16.774 29.790 1.00 0.00 H ATOM 943 HE1 PHE A 57 14.494 17.823 26.226 1.00 0.00 H ATOM 944 HE2 PHE A 57 12.076 19.076 29.495 1.00 0.00 H ATOM 945 HZ PHE A 57 13.649 19.624 27.668 1.00 0.00 H ATOM 946 N GLN A 58 9.949 11.934 27.405 1.00 11.15 N ATOM 947 CA GLN A 58 9.641 10.495 27.636 1.00 11.59 C ATOM 948 C GLN A 58 10.110 10.077 28.997 1.00 12.28 C ATOM 949 O GLN A 58 10.845 9.102 29.185 1.00 16.38 O ATOM 950 CB GLN A 58 10.172 9.645 26.519 1.00 12.66 C ATOM 951 CG GLN A 58 9.440 9.850 25.188 1.00 12.90 C ATOM 952 CD GLN A 58 8.038 9.280 25.220 1.00 13.93 C ATOM 953 OE1 GLN A 58 7.838 8.080 25.038 1.00 15.93 O ATOM 954 NE2 GLN A 58 7.070 10.112 25.509 1.00 13.81 N ATOM 955 H GLN A 58 9.199 12.543 27.112 1.00 0.00 H ATOM 956 HA GLN A 58 8.556 10.394 27.627 1.00 0.00 H ATOM 957 HB3 GLN A 58 10.115 8.595 26.805 1.00 0.00 H ATOM 958 HB2 GLN A 58 11.234 9.849 26.383 1.00 0.00 H ATOM 959 HG3 GLN A 58 10.006 9.376 24.386 1.00 0.00 H ATOM 960 HG2 GLN A 58 9.393 10.915 24.960 1.00 0.00 H ATOM 961 HE22 GLN A 58 6.115 9.784 25.544 1.00 0.00 H ATOM 962 HE21 GLN A 58 7.277 11.082 25.697 1.00 0.00 H ATOM 963 N ILE A 59 9.630 10.784 30.026 1.00 11.14 N ATOM 964 CA ILE A 59 9.972 10.499 31.409 1.00 12.69 C ATOM 965 C ILE A 59 9.100 9.381 31.948 1.00 11.92 C ATOM 966 O ILE A 59 7.878 9.355 31.733 1.00 12.81 O ATOM 967 CB ILE A 59 9.822 11.807 32.227 1.00 12.88 C ATOM 968 CG1 ILE A 59 10.977 12.787 31.806 1.00 16.58 C ATOM 969 CG2 ILE A 59 9.892 11.512 33.708 1.00 15.82 C ATOM 970 CD1 ILE A 59 10.767 14.197 32.249 1.00 20.06 C ATOM 971 H ILE A 59 9.000 11.555 29.859 1.00 0.00 H ATOM 972 HA ILE A 59 11.013 10.179 31.451 1.00 0.00 H ATOM 973 HB ILE A 59 8.860 12.266 31.997 1.00 0.00 H ATOM 974 HG13 ILE A 59 11.095 12.762 30.723 1.00 0.00 H ATOM 975 HG12 ILE A 59 11.924 12.421 32.202 1.00 0.00 H ATOM 976 HG21 ILE A 59 9.785 12.440 34.269 1.00 0.00 H ATOM 977 HG22 ILE A 59 9.088 10.828 33.981 1.00 0.00 H ATOM 978 HG23 ILE A 59 10.853 11.055 33.943 1.00 0.00 H ATOM 979 HD11 ILE A 59 11.606 14.810 31.920 1.00 0.00 H ATOM 980 HD12 ILE A 59 9.844 14.581 31.814 1.00 0.00 H ATOM 981 HD13 ILE A 59 10.697 14.230 33.336 1.00 0.00 H ATOM 982 N ASN A 60 9.748 8.405 32.578 1.00 13.13 N ATOM 983 CA ASN A 60 9.096 7.153 32.958 1.00 12.23 C ATOM 984 C ASN A 60 8.368 7.186 34.265 1.00 12.37 C ATOM 985 O ASN A 60 8.816 7.773 35.247 1.00 15.10 O ATOM 986 CB ASN A 60 10.197 6.057 32.944 1.00 14.92 C ATOM 987 CG ASN A 60 9.645 4.672 33.127 1.00 15.27 C ATOM 988 OD1 ASN A 60 9.650 4.123 34.223 1.00 18.11 O ATOM 989 ND2 ASN A 60 9.075 4.117 32.067 1.00 18.70 N ATOM 990 H ASN A 60 10.725 8.515 32.810 1.00 0.00 H ATOM 991 HA ASN A 60 8.372 6.906 32.181 1.00 0.00 H ATOM 992 HB3 ASN A 60 10.924 6.264 33.729 1.00 0.00 H ATOM 993 HB2 ASN A 60 10.746 6.107 32.003 1.00 0.00 H ATOM 994 HD22 ASN A 60 8.686 3.187 32.132 1.00 0.00 H ATOM 995 HD21 ASN A 60 9.029 4.624 31.195 1.00 0.00 H ATOM 996 N SER A 61 7.224 6.488 34.322 1.00 12.35 N ATOM 997 CA SER A 61 6.355 6.463 35.462 1.00 12.09 C ATOM 998 C SER A 61 6.755 5.505 36.545 1.00 13.49 C ATOM 999 O SER A 61 6.128 5.516 37.615 1.00 15.29 O ATOM 1000 CB SER A 61 4.896 6.110 35.014 1.00 14.79 C ATOM 1001 OG SER A 61 4.904 4.761 34.560 1.00 13.83 O ATOM 1002 H SER A 61 6.929 5.936 33.529 1.00 0.00 H ATOM 1003 HA SER A 61 6.339 7.465 35.892 1.00 0.00 H ATOM 1004 HB3 SER A 61 4.599 6.766 34.196 1.00 0.00 H ATOM 1005 HB2 SER A 61 4.223 6.202 35.866 1.00 0.00 H ATOM 1006 HG SER A 61 4.124 4.308 34.888 1.00 0.00 H ATOM 1007 N ARG A 62 7.800 4.703 36.380 1.00 15.46 N ATOM 1008 CA ARG A 62 8.231 3.884 37.510 1.00 16.61 C ATOM 1009 C ARG A 62 9.056 4.707 38.497 1.00 16.86 C ATOM 1010 O ARG A 62 8.971 4.544 39.714 1.00 26.96 O ATOM 1011 CB ARG A 62 9.018 2.669 37.051 1.00 19.91 C ATOM 1012 CG ARG A 62 9.535 1.846 38.250 1.00 26.96 C ATOM 1013 CD ARG A 62 9.706 0.415 37.830 1.00 41.99 C ATOM 1014 NE ARG A 62 8.441 -0.349 38.023 1.00 38.78 N ATOM 1015 CZ ARG A 62 7.824 -0.848 36.952 1.00 40.02 C ATOM 1016 NH1 ARG A 62 8.407 -0.643 35.767 1.00 45.48 N ATOM 1017 NH2 ARG A 62 6.838 -1.710 37.068 1.00 51.32 N1+ ATOM 1018 H ARG A 62 8.276 4.670 35.490 1.00 0.00 H ATOM 1019 HA ARG A 62 7.340 3.531 38.029 1.00 0.00 H ATOM 1020 HB3 ARG A 62 9.862 2.992 36.442 1.00 0.00 H ATOM 1021 HB2 ARG A 62 8.383 2.040 36.426 1.00 0.00 H ATOM 1022 HG3 ARG A 62 8.814 1.901 39.066 1.00 0.00 H ATOM 1023 HG2 ARG A 62 10.495 2.245 38.578 1.00 0.00 H ATOM 1024 HD3 ARG A 62 10.500 -0.044 38.419 1.00 0.00 H ATOM 1025 HD2 ARG A 62 9.996 0.377 36.780 1.00 0.00 H ATOM 1026 HE ARG A 62 8.050 -0.492 38.943 1.00 0.00 H ATOM 1027 HH12 ARG A 62 7.979 -1.001 34.925 1.00 0.00 H ATOM 1028 HH11 ARG A 62 9.275 -0.130 35.713 1.00 0.00 H ATOM 1029 HH22 ARG A 62 6.386 -2.074 36.242 1.00 0.00 H ATOM 1030 HH21 ARG A 62 6.533 -2.008 37.984 1.00 0.00 H ATOM 1031 N TYR A 63 9.936 5.563 37.960 1.00 17.34 N ATOM 1032 CA TYR A 63 10.848 6.296 38.851 1.00 17.97 C ATOM 1033 C TYR A 63 10.556 7.752 39.041 1.00 16.02 C ATOM 1034 O TYR A 63 10.961 8.311 40.083 1.00 19.73 O ATOM 1035 CB TYR A 63 12.265 6.192 38.188 1.00 25.58 C ATOM 1036 CG TYR A 63 12.647 4.742 37.965 1.00 28.37 C ATOM 1037 CD1 TYR A 63 12.970 3.955 39.072 1.00 32.48 C ATOM 1038 CD2 TYR A 63 12.647 4.167 36.709 1.00 34.89 C ATOM 1039 CE1 TYR A 63 13.317 2.629 38.919 1.00 37.71 C ATOM 1040 CE2 TYR A 63 12.991 2.820 36.551 1.00 35.23 C ATOM 1041 CZ TYR A 63 13.323 2.076 37.652 1.00 35.13 C ATOM 1042 OH TYR A 63 13.673 0.748 37.518 1.00 45.56 O ATOM 1043 H TYR A 63 9.965 5.696 36.959 1.00 0.00 H ATOM 1044 HA TYR A 63 10.870 5.805 39.824 1.00 0.00 H ATOM 1045 HB3 TYR A 63 13.004 6.667 38.834 1.00 0.00 H ATOM 1046 HB2 TYR A 63 12.258 6.717 37.233 1.00 0.00 H ATOM 1047 HD1 TYR A 63 12.950 4.383 40.063 1.00 0.00 H ATOM 1048 HD2 TYR A 63 12.381 4.757 35.845 1.00 0.00 H ATOM 1049 HE1 TYR A 63 13.580 2.036 39.783 1.00 0.00 H ATOM 1050 HE2 TYR A 63 12.993 2.375 35.567 1.00 0.00 H ATOM 1051 HH TYR A 63 14.084 0.610 36.662 1.00 0.00 H ATOM 1052 N TRP A 64 9.914 8.429 38.097 1.00 13.82 N ATOM 1053 CA TRP A 64 9.921 9.901 38.099 1.00 13.15 C ATOM 1054 C TRP A 64 8.596 10.559 38.321 1.00 11.80 C ATOM 1055 O TRP A 64 8.522 11.525 39.104 1.00 15.36 O ATOM 1056 CB TRP A 64 10.595 10.385 36.796 1.00 13.45 C ATOM 1057 CG TRP A 64 11.962 9.784 36.639 1.00 14.00 C ATOM 1058 CD1 TRP A 64 12.321 8.856 35.718 1.00 16.69 C ATOM 1059 CD2 TRP A 64 13.115 10.070 37.425 1.00 15.23 C ATOM 1060 NE1 TRP A 64 13.651 8.535 35.896 1.00 17.44 N ATOM 1061 CE2 TRP A 64 14.157 9.265 36.923 1.00 15.85 C ATOM 1062 CE3 TRP A 64 13.371 10.935 38.483 1.00 16.08 C ATOM 1063 CZ2 TRP A 64 15.443 9.296 37.475 1.00 17.87 C ATOM 1064 CZ3 TRP A 64 14.652 10.956 39.033 1.00 17.34 C ATOM 1065 CH2 TRP A 64 15.658 10.134 38.513 1.00 18.86 C ATOM 1066 H TRP A 64 9.416 7.934 37.371 1.00 0.00 H ATOM 1067 HA TRP A 64 10.567 10.211 38.920 1.00 0.00 H ATOM 1068 HB3 TRP A 64 10.676 11.472 36.811 1.00 0.00 H ATOM 1069 HB2 TRP A 64 9.976 10.107 35.943 1.00 0.00 H ATOM 1070 HD1 TRP A 64 11.596 8.495 35.004 1.00 0.00 H ATOM 1071 HE1 TRP A 64 14.089 7.847 35.300 1.00 0.00 H ATOM 1072 HE3 TRP A 64 12.586 11.572 38.862 1.00 0.00 H ATOM 1073 HZ2 TRP A 64 16.220 8.664 37.070 1.00 0.00 H ATOM 1074 HZ3 TRP A 64 14.872 11.609 39.865 1.00 0.00 H ATOM 1075 HH2 TRP A 64 16.634 10.186 38.972 1.00 0.00 H ATOM 1076 N CYS A 65 7.557 10.176 37.617 1.00 14.31 N ATOM 1077 CA CYS A 65 6.244 10.805 37.811 1.00 12.60 C ATOM 1078 C CYS A 65 5.245 9.712 38.213 1.00 14.32 C ATOM 1079 O CYS A 65 5.502 8.537 37.990 1.00 14.95 O ATOM 1080 CB CYS A 65 5.770 11.553 36.579 1.00 13.50 C ATOM 1081 SG CYS A 65 5.479 10.487 35.116 1.00 14.34 S ATOM 1082 H CYS A 65 7.655 9.440 36.932 1.00 0.00 H ATOM 1083 HA CYS A 65 6.323 11.516 38.634 1.00 0.00 H ATOM 1084 HB3 CYS A 65 6.495 12.326 36.324 1.00 0.00 H ATOM 1085 HB2 CYS A 65 4.856 12.098 36.816 1.00 0.00 H ATOM 1086 N ASN A 66 4.141 10.112 38.838 1.00 13.49 N ATOM 1087 CA ASN A 66 3.129 9.181 39.275 1.00 12.07 C ATOM 1088 C ASN A 66 1.927 9.164 38.356 1.00 13.15 C ATOM 1089 O ASN A 66 1.292 10.217 38.132 1.00 12.75 O ATOM 1090 CB ASN A 66 2.681 9.511 40.703 1.00 15.96 C ATOM 1091 CG ASN A 66 1.658 8.515 41.218 1.00 19.44 C ATOM 1092 OD1 ASN A 66 1.815 7.294 41.076 1.00 21.93 O ATOM 1093 ND2 ASN A 66 0.646 9.052 41.860 1.00 22.57 N ATOM 1094 H ASN A 66 3.991 11.094 39.020 1.00 0.00 H ATOM 1095 HA ASN A 66 3.566 8.183 39.279 1.00 0.00 H ATOM 1096 HB3 ASN A 66 2.255 10.514 40.727 1.00 0.00 H ATOM 1097 HB2 ASN A 66 3.548 9.514 41.363 1.00 0.00 H ATOM 1098 HD22 ASN A 66 -0.083 8.463 42.237 1.00 0.00 H ATOM 1099 HD21 ASN A 66 0.596 10.054 41.976 1.00 0.00 H ATOM 1100 N ASP A 67 1.540 7.994 37.876 1.00 12.42 N ATOM 1101 CA ASP A 67 0.316 7.813 37.121 1.00 13.42 C ATOM 1102 C ASP A 67 -0.665 6.926 37.841 1.00 13.40 C ATOM 1103 O ASP A 67 -1.748 6.656 37.327 1.00 16.86 O ATOM 1104 CB ASP A 67 0.521 7.391 35.697 1.00 12.34 C ATOM 1105 CG ASP A 67 1.148 6.020 35.466 1.00 13.28 C ATOM 1106 OD1 ASP A 67 1.302 5.246 36.458 1.00 14.28 O ATOM 1107 OD2 ASP A 67 1.451 5.688 34.292 1.00 14.87 O1- ATOM 1108 H ASP A 67 2.107 7.173 38.030 1.00 0.00 H ATOM 1109 HA ASP A 67 -0.152 8.796 37.075 1.00 0.00 H ATOM 1110 HB3 ASP A 67 1.112 8.147 35.181 1.00 0.00 H ATOM 1111 HB2 ASP A 67 -0.430 7.444 35.167 1.00 0.00 H ATOM 1112 N GLY A 68 -0.354 6.427 39.038 1.00 13.31 N ATOM 1113 CA GLY A 68 -1.237 5.601 39.777 1.00 14.71 C ATOM 1114 C GLY A 68 -1.299 4.150 39.386 1.00 17.90 C ATOM 1115 O GLY A 68 -1.716 3.325 40.201 1.00 27.90 O ATOM 1116 H GLY A 68 0.543 6.634 39.454 1.00 0.00 H ATOM 1117 HA3 GLY A 68 -2.240 6.025 39.740 1.00 0.00 H ATOM 1118 HA2 GLY A 68 -0.996 5.677 40.837 1.00 0.00 H ATOM 1119 N LYS A 69 -0.940 3.799 38.169 1.00 18.83 N ATOM 1120 CA LYS A 69 -1.117 2.434 37.678 1.00 17.60 C ATOM 1121 C LYS A 69 0.158 1.672 37.460 1.00 18.43 C ATOM 1122 O LYS A 69 0.142 0.597 36.907 1.00 23.74 O ATOM 1123 CB LYS A 69 -1.993 2.451 36.424 1.00 20.00 C ATOM 1124 CG LYS A 69 -1.400 3.242 35.259 1.00 19.72 C ATOM 1125 CD LYS A 69 -2.196 3.035 33.985 1.00 28.11 C ATOM 1126 CE LYS A 69 -1.386 3.360 32.756 1.00 40.33 C ATOM 1127 NZ LYS A 69 -2.007 4.518 32.007 1.00 48.89 N1+ ATOM 1128 H LYS A 69 -0.530 4.481 37.547 1.00 0.00 H ATOM 1129 HA LYS A 69 -1.676 1.896 38.443 1.00 0.00 H ATOM 1130 HB3 LYS A 69 -2.974 2.856 36.674 1.00 0.00 H ATOM 1131 HB2 LYS A 69 -2.186 1.427 36.104 1.00 0.00 H ATOM 1132 HG3 LYS A 69 -0.368 2.930 35.097 1.00 0.00 H ATOM 1133 HG2 LYS A 69 -1.387 4.303 35.510 1.00 0.00 H ATOM 1134 HD3 LYS A 69 -3.087 3.662 34.008 1.00 0.00 H ATOM 1135 HD2 LYS A 69 -2.534 2.000 33.933 1.00 0.00 H ATOM 1136 HE3 LYS A 69 -1.347 2.486 32.106 1.00 0.00 H ATOM 1137 HE2 LYS A 69 -0.369 3.621 33.050 1.00 0.00 H ATOM 1138 HZ1 LYS A 69 -1.451 4.728 31.191 1.00 0.00 H ATOM 1139 HZ2 LYS A 69 -2.944 4.271 31.721 1.00 0.00 H ATOM 1140 HZ3 LYS A 69 -2.042 5.329 32.608 1.00 0.00 H ATOM 1141 N THR A 70 1.290 2.237 37.833 1.00 17.05 N ATOM 1142 CA THR A 70 2.586 1.583 37.643 1.00 18.01 C ATOM 1143 C THR A 70 3.052 0.964 38.949 1.00 19.16 C ATOM 1144 O THR A 70 3.198 1.690 39.944 1.00 22.32 O ATOM 1145 CB THR A 70 3.632 2.665 37.254 1.00 17.38 C ATOM 1146 OG1 THR A 70 3.171 3.282 36.048 1.00 16.08 O ATOM 1147 CG2 THR A 70 4.948 1.973 36.907 1.00 18.56 C ATOM 1148 H THR A 70 1.280 3.150 38.265 1.00 0.00 H ATOM 1149 HA THR A 70 2.518 0.823 36.865 1.00 0.00 H ATOM 1150 HB THR A 70 3.764 3.397 38.051 1.00 0.00 H ATOM 1151 HG1 THR A 70 2.312 3.682 36.201 1.00 0.00 H ATOM 1152 HG21 THR A 70 5.691 2.721 36.632 1.00 0.00 H ATOM 1153 HG22 THR A 70 5.302 1.410 37.771 1.00 0.00 H ATOM 1154 HG23 THR A 70 4.792 1.292 36.070 1.00 0.00 H ATOM 1155 N PRO A 71 3.309 -0.326 38.966 1.00 20.91 N ATOM 1156 CA PRO A 71 3.801 -0.952 40.199 1.00 23.96 C ATOM 1157 C PRO A 71 5.211 -0.442 40.527 1.00 23.90 C ATOM 1158 O PRO A 71 5.988 -0.135 39.633 1.00 25.80 O ATOM 1159 CB PRO A 71 3.828 -2.423 39.889 1.00 25.33 C ATOM 1160 CG PRO A 71 2.993 -2.609 38.694 1.00 29.02 C ATOM 1161 CD PRO A 71 3.041 -1.296 37.916 1.00 23.02 C ATOM 1162 HA PRO A 71 3.121 -0.750 41.026 1.00 0.00 H ATOM 1163 HB3 PRO A 71 3.396 -2.977 40.723 1.00 0.00 H ATOM 1164 HB2 PRO A 71 4.851 -2.728 39.667 1.00 0.00 H ATOM 1165 HG3 PRO A 71 1.966 -2.813 38.998 1.00 0.00 H ATOM 1166 HG2 PRO A 71 3.410 -3.409 38.082 1.00 0.00 H ATOM 1167 HD2 PRO A 71 3.884 -1.319 37.225 1.00 0.00 H ATOM 1168 HD3 PRO A 71 2.059 -1.098 37.486 1.00 0.00 H ATOM 1169 N GLY A 72 5.465 -0.423 41.822 1.00 31.25 N ATOM 1170 CA GLY A 72 6.710 -0.057 42.413 1.00 31.98 C ATOM 1171 C GLY A 72 7.132 1.348 42.096 1.00 28.73 C ATOM 1172 O GLY A 72 8.321 1.629 42.055 1.00 39.18 O ATOM 1173 H GLY A 72 4.745 -0.682 42.482 1.00 0.00 H ATOM 1174 HA3 GLY A 72 7.484 -0.750 42.084 1.00 0.00 H ATOM 1175 HA2 GLY A 72 6.648 -0.181 43.494 1.00 0.00 H ATOM 1176 N ALA A 73 6.167 2.263 41.932 1.00 25.80 N ATOM 1177 CA ALA A 73 6.515 3.642 41.615 1.00 26.10 C ATOM 1178 C ALA A 73 7.131 4.398 42.786 1.00 24.83 C ATOM 1179 O ALA A 73 6.692 4.210 43.921 1.00 28.55 O ATOM 1180 CB ALA A 73 5.229 4.385 41.181 1.00 30.47 C ATOM 1181 H ALA A 73 5.197 1.997 42.028 1.00 0.00 H ATOM 1182 HA ALA A 73 7.220 3.645 40.784 1.00 0.00 H ATOM 1183 HB1 ALA A 73 5.471 5.420 40.940 1.00 0.00 H ATOM 1184 HB2 ALA A 73 4.806 3.897 40.303 1.00 0.00 H ATOM 1185 HB3 ALA A 73 4.504 4.362 41.994 1.00 0.00 H ATOM 1186 N VAL A 74 8.049 5.296 42.460 1.00 25.08 N ATOM 1187 CA VAL A 74 8.774 6.151 43.359 1.00 27.99 C ATOM 1188 C VAL A 74 8.397 7.608 43.356 1.00 23.91 C ATOM 1189 O VAL A 74 8.531 8.323 44.397 1.00 27.27 O ATOM 1190 CB VAL A 74 10.294 6.002 43.071 1.00 26.11 C ATOM 1191 CG1 VAL A 74 11.115 6.964 43.854 1.00 30.20 C ATOM 1192 CG2 VAL A 74 10.656 4.540 43.336 1.00 34.73 C ATOM 1193 H VAL A 74 8.301 5.432 41.491 1.00 0.00 H ATOM 1194 HA VAL A 74 8.600 5.777 44.368 1.00 0.00 H ATOM 1195 HB VAL A 74 10.458 6.203 42.012 1.00 0.00 H ATOM 1196 HG11 VAL A 74 12.169 6.820 43.617 1.00 0.00 H ATOM 1197 HG12 VAL A 74 10.822 7.983 43.600 1.00 0.00 H ATOM 1198 HG13 VAL A 74 10.956 6.795 44.919 1.00 0.00 H ATOM 1199 HG21 VAL A 74 11.718 4.388 43.146 1.00 0.00 H ATOM 1200 HG22 VAL A 74 10.434 4.293 44.374 1.00 0.00 H ATOM 1201 HG23 VAL A 74 10.074 3.896 42.677 1.00 0.00 H ATOM 1202 N ASN A 75 7.960 8.165 42.275 1.00 22.30 N ATOM 1203 CA ASN A 75 7.567 9.554 42.133 1.00 17.58 C ATOM 1204 C ASN A 75 8.627 10.529 42.604 1.00 16.17 C ATOM 1205 O ASN A 75 8.356 11.412 43.414 1.00 16.46 O ATOM 1206 CB ASN A 75 6.223 9.855 42.801 1.00 17.90 C ATOM 1207 CG ASN A 75 5.589 11.111 42.262 1.00 18.28 C ATOM 1208 OD1 ASN A 75 6.080 11.716 41.295 1.00 18.76 O ATOM 1209 ND2 ASN A 75 4.472 11.564 42.827 1.00 19.69 N ATOM 1210 H ASN A 75 7.868 7.622 41.429 1.00 0.00 H ATOM 1211 HA ASN A 75 7.432 9.732 41.066 1.00 0.00 H ATOM 1212 HB3 ASN A 75 6.367 9.955 43.877 1.00 0.00 H ATOM 1213 HB2 ASN A 75 5.547 9.014 42.650 1.00 0.00 H ATOM 1214 HD22 ASN A 75 4.034 12.405 42.478 1.00 0.00 H ATOM 1215 HD21 ASN A 75 4.062 11.067 43.605 1.00 0.00 H ATOM 1216 N ALA A 76 9.838 10.374 42.084 1.00 15.78 N ATOM 1217 CA ALA A 76 10.952 11.223 42.506 1.00 15.84 C ATOM 1218 C ALA A 76 10.749 12.663 42.105 1.00 16.60 C ATOM 1219 O ALA A 76 11.328 13.566 42.739 1.00 18.71 O ATOM 1220 CB ALA A 76 12.264 10.650 42.015 1.00 19.70 C ATOM 1221 H ALA A 76 10.001 9.662 41.386 1.00 0.00 H ATOM 1222 HA ALA A 76 10.979 11.196 43.595 1.00 0.00 H ATOM 1223 HB1 ALA A 76 13.084 11.292 42.336 1.00 0.00 H ATOM 1224 HB2 ALA A 76 12.402 9.651 42.428 1.00 0.00 H ATOM 1225 HB3 ALA A 76 12.252 10.594 40.927 1.00 0.00 H ATOM 1226 N CYS A 77 10.007 12.977 41.052 1.00 15.43 N ATOM 1227 CA CYS A 77 9.758 14.371 40.720 1.00 15.15 C ATOM 1228 C CYS A 77 8.583 14.976 41.491 1.00 15.94 C ATOM 1229 O CYS A 77 8.301 16.184 41.375 1.00 16.72 O ATOM 1230 CB CYS A 77 9.448 14.513 39.213 1.00 15.14 C ATOM 1231 SG CYS A 77 10.961 14.244 38.223 1.00 14.34 S ATOM 1232 H CYS A 77 9.612 12.247 40.477 1.00 0.00 H ATOM 1233 HA CYS A 77 10.655 14.947 40.946 1.00 0.00 H ATOM 1234 HB3 CYS A 77 9.057 15.511 39.015 1.00 0.00 H ATOM 1235 HB2 CYS A 77 8.692 13.781 38.927 1.00 0.00 H ATOM 1236 N HIS A 78 7.857 14.152 42.240 1.00 15.99 N ATOM 1237 CA HIS A 78 6.693 14.639 42.992 1.00 16.71 C ATOM 1238 C HIS A 78 5.720 15.394 42.117 1.00 17.72 C ATOM 1239 O HIS A 78 5.252 16.498 42.372 1.00 18.21 O ATOM 1240 CB HIS A 78 7.107 15.373 44.230 1.00 25.66 C ATOM 1241 CG HIS A 78 7.881 14.492 45.175 1.00 30.49 C ATOM 1242 ND1 HIS A 78 9.254 14.436 45.208 1.00 33.57 N ATOM 1243 CD2 HIS A 78 7.440 13.630 46.101 1.00 31.11 C ATOM 1244 CE1 HIS A 78 9.643 13.568 46.126 1.00 32.40 C ATOM 1245 NE2 HIS A 78 8.558 13.066 46.698 1.00 35.66 N ATOM 1246 H HIS A 78 8.103 13.174 42.299 1.00 0.00 H ATOM 1247 HA HIS A 78 6.163 13.750 43.333 1.00 0.00 H ATOM 1248 HB3 HIS A 78 6.222 15.758 44.736 1.00 0.00 H ATOM 1249 HB2 HIS A 78 7.717 16.233 43.955 1.00 0.00 H ATOM 1250 HD1 HIS A 78 9.798 15.013 44.582 1.00 0.00 H ATOM 1251 HD2 HIS A 78 6.379 13.495 46.252 1.00 0.00 H ATOM 1252 HE1 HIS A 78 10.696 13.387 46.287 1.00 0.00 H ATOM 1253 N LEU A 79 5.332 14.692 41.043 1.00 15.10 N ATOM 1254 CA LEU A 79 4.477 15.234 40.021 1.00 16.14 C ATOM 1255 C LEU A 79 3.569 14.136 39.446 1.00 14.36 C ATOM 1256 O LEU A 79 4.002 13.028 39.156 1.00 16.77 O ATOM 1257 CB LEU A 79 5.453 15.589 38.829 1.00 20.57 C ATOM 1258 CG LEU A 79 5.821 16.900 38.420 1.00 27.66 C ATOM 1259 CD1 LEU A 79 6.479 16.972 37.046 1.00 29.20 C ATOM 1260 CD2 LEU A 79 4.867 18.051 38.607 1.00 32.17 C ATOM 1261 H LEU A 79 5.641 13.738 40.925 1.00 0.00 H ATOM 1262 HA LEU A 79 3.913 16.100 40.368 1.00 0.00 H ATOM 1263 HB3 LEU A 79 5.131 15.034 37.948 1.00 0.00 H ATOM 1264 HB2 LEU A 79 6.363 15.000 38.945 1.00 0.00 H ATOM 1265 HG LEU A 79 6.639 17.147 39.097 1.00 0.00 H ATOM 1266 HD11 LEU A 79 6.726 18.008 36.815 1.00 0.00 H ATOM 1267 HD12 LEU A 79 7.390 16.373 37.047 1.00 0.00 H ATOM 1268 HD13 LEU A 79 5.792 16.586 36.293 1.00 0.00 H ATOM 1269 HD21 LEU A 79 5.325 18.967 38.235 1.00 0.00 H ATOM 1270 HD22 LEU A 79 3.948 17.855 38.055 1.00 0.00 H ATOM 1271 HD23 LEU A 79 4.637 18.164 39.666 1.00 0.00 H ATOM 1272 N SER A 80 2.353 14.557 39.108 1.00 12.78 N ATOM 1273 CA SER A 80 1.483 13.714 38.302 1.00 13.23 C ATOM 1274 C SER A 80 2.061 13.605 36.893 1.00 12.09 C ATOM 1275 O SER A 80 2.491 14.619 36.303 1.00 12.94 O ATOM 1276 CB SER A 80 0.083 14.348 38.208 1.00 14.70 C ATOM 1277 OG SER A 80 -0.719 13.660 37.289 1.00 14.92 O ATOM 1278 H SER A 80 2.031 15.465 39.411 1.00 0.00 H ATOM 1279 HA SER A 80 1.411 12.723 38.750 1.00 0.00 H ATOM 1280 HB3 SER A 80 0.176 15.389 37.900 1.00 0.00 H ATOM 1281 HB2 SER A 80 -0.391 14.328 39.189 1.00 0.00 H ATOM 1282 HG SER A 80 -0.861 12.762 37.597 1.00 0.00 H ATOM 1283 N CYS A 81 2.061 12.409 36.333 1.00 12.15 N ATOM 1284 CA CYS A 81 2.527 12.262 34.961 1.00 11.82 C ATOM 1285 C CYS A 81 1.727 13.119 33.997 1.00 11.57 C ATOM 1286 O CYS A 81 2.174 13.490 32.916 1.00 13.13 O ATOM 1287 CB CYS A 81 2.520 10.801 34.499 1.00 13.14 C ATOM 1288 SG CYS A 81 3.612 9.727 35.444 1.00 13.20 S ATOM 1289 H CYS A 81 1.740 11.607 36.856 1.00 0.00 H ATOM 1290 HA CYS A 81 3.559 12.610 34.928 1.00 0.00 H ATOM 1291 HB3 CYS A 81 2.791 10.754 33.444 1.00 0.00 H ATOM 1292 HB2 CYS A 81 1.503 10.412 34.545 1.00 0.00 H ATOM 1293 N SER A 82 0.477 13.429 34.353 1.00 12.73 N ATOM 1294 CA SER A 82 -0.337 14.320 33.519 1.00 13.54 C ATOM 1295 C SER A 82 0.293 15.686 33.299 1.00 11.95 C ATOM 1296 O SER A 82 0.078 16.310 32.247 1.00 13.03 O ATOM 1297 CB ASER A 82 -1.753 14.415 34.043 0.60 17.55 C ATOM 1298 CB BSER A 82 -1.700 14.550 34.238 0.40 15.56 C ATOM 1299 OG ASER A 82 -1.790 15.168 35.206 0.60 18.83 O ATOM 1300 OG BSER A 82 -2.531 15.491 33.556 0.40 19.98 O ATOM 1301 H SER A 82 0.085 13.049 35.203 1.00 0.00 H ATOM 1302 HA SER A 82 -0.402 13.849 32.538 1.00 0.00 H ATOM 1303 HB3ASER A 82 -2.133 13.414 34.247 0.60 0.00 H ATOM 1304 HB3BSER A 82 -1.519 14.897 35.255 0.40 0.00 H ATOM 1305 HB2ASER A 82 -2.389 14.880 33.289 0.60 0.00 H ATOM 1306 HB2BSER A 82 -2.227 13.600 34.328 0.40 0.00 H ATOM 1307 HG ASER A 82 -1.423 14.657 35.931 0.60 0.00 H ATOM 1308 HG BSER A 82 -3.355 15.598 34.036 0.40 0.00 H ATOM 1309 N ALA A 83 1.105 16.142 34.244 1.00 12.11 N ATOM 1310 CA ALA A 83 1.797 17.428 34.065 1.00 12.56 C ATOM 1311 C ALA A 83 2.760 17.403 32.889 1.00 13.55 C ATOM 1312 O ALA A 83 3.137 18.474 32.418 1.00 15.23 O ATOM 1313 CB ALA A 83 2.553 17.777 35.346 1.00 15.16 C ATOM 1314 H ALA A 83 1.249 15.606 35.088 1.00 0.00 H ATOM 1315 HA ALA A 83 1.050 18.200 33.883 1.00 0.00 H ATOM 1316 HB1 ALA A 83 3.067 18.729 35.217 1.00 0.00 H ATOM 1317 HB2 ALA A 83 1.849 17.854 36.175 1.00 0.00 H ATOM 1318 HB3 ALA A 83 3.283 16.997 35.562 1.00 0.00 H ATOM 1319 N LEU A 84 3.199 16.242 32.485 1.00 12.54 N ATOM 1320 CA LEU A 84 4.179 16.043 31.431 1.00 12.71 C ATOM 1321 C LEU A 84 3.491 15.897 30.074 1.00 13.40 C ATOM 1322 O LEU A 84 4.161 15.664 29.074 1.00 16.08 O ATOM 1323 CB LEU A 84 5.042 14.800 31.728 1.00 14.18 C ATOM 1324 CG LEU A 84 5.808 14.816 33.039 1.00 17.81 C ATOM 1325 CD1 LEU A 84 6.546 13.520 33.295 1.00 20.67 C ATOM 1326 CD2 LEU A 84 6.710 15.996 33.181 1.00 21.32 C ATOM 1327 H LEU A 84 2.855 15.395 32.914 1.00 0.00 H ATOM 1328 HA LEU A 84 4.831 16.916 31.396 1.00 0.00 H ATOM 1329 HB3 LEU A 84 5.740 14.642 30.906 1.00 0.00 H ATOM 1330 HB2 LEU A 84 4.415 13.909 31.689 1.00 0.00 H ATOM 1331 HG LEU A 84 5.062 14.904 33.829 1.00 0.00 H ATOM 1332 HD11 LEU A 84 7.077 13.585 34.245 1.00 0.00 H ATOM 1333 HD12 LEU A 84 5.833 12.697 33.334 1.00 0.00 H ATOM 1334 HD13 LEU A 84 7.261 13.343 32.491 1.00 0.00 H ATOM 1335 HD21 LEU A 84 7.227 15.946 34.139 1.00 0.00 H ATOM 1336 HD22 LEU A 84 7.442 15.994 32.373 1.00 0.00 H ATOM 1337 HD23 LEU A 84 6.121 16.912 33.134 1.00 0.00 H ATOM 1338 N LEU A 85 2.177 16.084 30.026 1.00 12.93 N ATOM 1339 CA LEU A 85 1.434 16.085 28.771 1.00 13.54 C ATOM 1340 C LEU A 85 0.863 17.458 28.422 1.00 13.88 C ATOM 1341 O LEU A 85 0.070 17.602 27.506 1.00 16.87 O ATOM 1342 CB LEU A 85 0.311 15.022 28.823 1.00 13.39 C ATOM 1343 CG LEU A 85 0.797 13.583 29.008 1.00 13.51 C ATOM 1344 CD1 LEU A 85 -0.390 12.643 29.196 1.00 18.29 C ATOM 1345 CD2 LEU A 85 1.680 13.105 27.872 1.00 16.82 C ATOM 1346 H LEU A 85 1.657 16.232 30.879 1.00 0.00 H ATOM 1347 HA LEU A 85 2.124 15.801 27.976 1.00 0.00 H ATOM 1348 HB3 LEU A 85 -0.289 15.086 27.915 1.00 0.00 H ATOM 1349 HB2 LEU A 85 -0.386 15.273 29.622 1.00 0.00 H ATOM 1350 HG LEU A 85 1.390 13.551 29.922 1.00 0.00 H ATOM 1351 HD11 LEU A 85 -0.029 11.623 29.326 1.00 0.00 H ATOM 1352 HD12 LEU A 85 -0.956 12.943 30.078 1.00 0.00 H ATOM 1353 HD13 LEU A 85 -1.034 12.690 28.318 1.00 0.00 H ATOM 1354 HD21 LEU A 85 1.992 12.078 28.061 1.00 0.00 H ATOM 1355 HD22 LEU A 85 1.124 13.148 26.936 1.00 0.00 H ATOM 1356 HD23 LEU A 85 2.560 13.745 27.801 1.00 0.00 H ATOM 1357 N GLN A 86 1.264 18.481 29.161 1.00 14.21 N ATOM 1358 CA GLN A 86 0.830 19.860 28.906 1.00 14.01 C ATOM 1359 C GLN A 86 1.581 20.459 27.720 1.00 14.22 C ATOM 1360 O GLN A 86 2.679 20.054 27.383 1.00 16.42 O ATOM 1361 CB GLN A 86 1.145 20.734 30.130 1.00 15.40 C ATOM 1362 CG GLN A 86 0.321 20.410 31.361 1.00 18.36 C ATOM 1363 CD GLN A 86 0.777 21.304 32.524 1.00 22.98 C ATOM 1364 OE1 GLN A 86 0.193 22.480 32.608 1.00 25.88 O ATOM 1365 NE2 GLN A 86 1.715 20.939 33.236 1.00 27.04 N ATOM 1366 H GLN A 86 1.894 18.328 29.936 1.00 0.00 H ATOM 1367 HA GLN A 86 -0.242 19.877 28.709 1.00 0.00 H ATOM 1368 HB3 GLN A 86 1.007 21.783 29.869 1.00 0.00 H ATOM 1369 HB2 GLN A 86 2.204 20.648 30.372 1.00 0.00 H ATOM 1370 HG3 GLN A 86 0.465 19.363 31.629 1.00 0.00 H ATOM 1371 HG2 GLN A 86 -0.733 20.596 31.152 1.00 0.00 H ATOM 1372 HE22 GLN A 86 2.022 21.520 34.003 1.00 0.00 H ATOM 1373 HE21 GLN A 86 2.176 20.059 33.052 1.00 0.00 H ATOM 1374 N ASP A 87 0.997 21.519 27.144 1.00 13.89 N ATOM 1375 CA ASP A 87 1.693 22.242 26.077 1.00 14.61 C ATOM 1376 C ASP A 87 2.847 23.069 26.642 1.00 16.13 C ATOM 1377 O ASP A 87 3.869 23.240 25.973 1.00 20.65 O ATOM 1378 CB ASP A 87 0.734 23.155 25.338 1.00 15.52 C ATOM 1379 CG ASP A 87 -0.164 22.507 24.344 1.00 15.85 C ATOM 1380 OD1 ASP A 87 -0.038 21.273 24.071 1.00 18.46 O ATOM 1381 OD2 ASP A 87 -1.006 23.238 23.788 1.00 18.72 O1- ATOM 1382 H ASP A 87 0.080 21.817 27.446 1.00 0.00 H ATOM 1383 HA ASP A 87 2.097 21.517 25.371 1.00 0.00 H ATOM 1384 HB3 ASP A 87 1.299 23.948 24.848 1.00 0.00 H ATOM 1385 HB2 ASP A 87 0.132 23.704 26.062 1.00 0.00 H ATOM 1386 N ASN A 88 2.657 23.546 27.848 1.00 15.81 N ATOM 1387 CA ASN A 88 3.699 24.287 28.579 1.00 17.79 C ATOM 1388 C ASN A 88 4.648 23.253 29.221 1.00 16.08 C ATOM 1389 O ASN A 88 4.209 22.383 29.925 1.00 19.07 O ATOM 1390 CB ASN A 88 2.980 25.077 29.706 1.00 20.11 C ATOM 1391 CG ASN A 88 3.961 26.004 30.397 1.00 22.92 C ATOM 1392 OD1 ASN A 88 4.868 25.577 31.063 1.00 26.75 O ATOM 1393 ND2 ASN A 88 3.766 27.301 30.166 1.00 44.22 N ATOM 1394 H ASN A 88 1.769 23.411 28.311 1.00 0.00 H ATOM 1395 HA ASN A 88 4.242 24.959 27.914 1.00 0.00 H ATOM 1396 HB3 ASN A 88 2.567 24.378 30.433 1.00 0.00 H ATOM 1397 HB2 ASN A 88 2.167 25.663 29.277 1.00 0.00 H ATOM 1398 HD22 ASN A 88 4.376 27.986 30.589 1.00 0.00 H ATOM 1399 HD21 ASN A 88 3.008 27.599 29.568 1.00 0.00 H ATOM 1400 N ILE A 89 5.939 23.387 28.974 1.00 12.57 N ATOM 1401 CA ILE A 89 6.897 22.386 29.384 1.00 12.70 C ATOM 1402 C ILE A 89 7.633 22.674 30.654 1.00 11.43 C ATOM 1403 O ILE A 89 8.589 21.985 31.014 1.00 12.56 O ATOM 1404 CB ILE A 89 7.868 22.023 28.223 1.00 12.99 C ATOM 1405 CG1 ILE A 89 8.795 23.173 27.880 1.00 14.29 C ATOM 1406 CG2 ILE A 89 7.072 21.503 27.032 1.00 16.72 C ATOM 1407 CD1 ILE A 89 9.875 22.815 26.847 1.00 17.23 C ATOM 1408 H ILE A 89 6.278 24.205 28.487 1.00 0.00 H ATOM 1409 HA ILE A 89 6.317 21.484 29.577 1.00 0.00 H ATOM 1410 HB ILE A 89 8.493 21.202 28.573 1.00 0.00 H ATOM 1411 HG13 ILE A 89 9.272 23.537 28.790 1.00 0.00 H ATOM 1412 HG12 ILE A 89 8.207 24.014 27.512 1.00 0.00 H ATOM 1413 HG21 ILE A 89 7.755 21.250 26.221 1.00 0.00 H ATOM 1414 HG22 ILE A 89 6.514 20.615 27.327 1.00 0.00 H ATOM 1415 HG23 ILE A 89 6.377 22.272 26.695 1.00 0.00 H ATOM 1416 HD11 ILE A 89 10.498 23.688 26.654 1.00 0.00 H ATOM 1417 HD12 ILE A 89 10.495 22.006 27.234 1.00 0.00 H ATOM 1418 HD13 ILE A 89 9.400 22.496 25.919 1.00 0.00 H ATOM 1419 N ALA A 90 7.247 23.691 31.408 1.00 12.52 N ATOM 1420 CA ALA A 90 7.968 24.041 32.627 1.00 11.88 C ATOM 1421 C ALA A 90 8.056 22.876 33.593 1.00 12.16 C ATOM 1422 O ALA A 90 9.117 22.634 34.150 1.00 12.58 O ATOM 1423 CB ALA A 90 7.335 25.237 33.333 1.00 16.43 C ATOM 1424 H ALA A 90 6.441 24.239 31.143 1.00 0.00 H ATOM 1425 HA ALA A 90 8.984 24.319 32.346 1.00 0.00 H ATOM 1426 HB1 ALA A 90 7.900 25.467 34.236 1.00 0.00 H ATOM 1427 HB2 ALA A 90 7.347 26.100 32.668 1.00 0.00 H ATOM 1428 HB3 ALA A 90 6.305 24.999 33.600 1.00 0.00 H ATOM 1429 N ASP A 91 6.980 22.125 33.818 1.00 12.34 N ATOM 1430 CA ASP A 91 7.018 20.988 34.743 1.00 13.06 C ATOM 1431 C ASP A 91 7.880 19.855 34.206 1.00 13.27 C ATOM 1432 O ASP A 91 8.629 19.220 34.973 1.00 14.41 O ATOM 1433 CB ASP A 91 5.625 20.499 35.093 1.00 16.70 C ATOM 1434 CG ASP A 91 4.848 21.453 35.998 1.00 21.64 C ATOM 1435 OD1 ASP A 91 5.428 22.205 36.792 1.00 25.67 O ATOM 1436 OD2 ASP A 91 3.624 21.358 35.954 1.00 30.98 O1- ATOM 1437 H ASP A 91 6.111 22.333 33.347 1.00 0.00 H ATOM 1438 HA ASP A 91 7.480 21.337 35.666 1.00 0.00 H ATOM 1439 HB3 ASP A 91 5.694 19.522 35.572 1.00 0.00 H ATOM 1440 HB2 ASP A 91 5.060 20.330 34.176 1.00 0.00 H ATOM 1441 N ALA A 92 7.827 19.607 32.901 1.00 12.68 N ATOM 1442 CA ALA A 92 8.688 18.613 32.289 1.00 12.92 C ATOM 1443 C ALA A 92 10.169 18.955 32.480 1.00 11.99 C ATOM 1444 O ALA A 92 10.990 18.083 32.753 1.00 13.19 O ATOM 1445 CB ALA A 92 8.369 18.445 30.833 1.00 14.28 C ATOM 1446 H ALA A 92 7.179 20.115 32.316 1.00 0.00 H ATOM 1447 HA ALA A 92 8.500 17.660 32.783 1.00 0.00 H ATOM 1448 HB1 ALA A 92 9.030 17.694 30.400 1.00 0.00 H ATOM 1449 HB2 ALA A 92 7.333 18.124 30.722 1.00 0.00 H ATOM 1450 HB3 ALA A 92 8.512 19.395 30.317 1.00 0.00 H ATOM 1451 N VAL A 93 10.484 20.228 32.281 1.00 11.60 N ATOM 1452 CA VAL A 93 11.853 20.715 32.472 1.00 11.58 C ATOM 1453 C VAL A 93 12.271 20.564 33.924 1.00 10.95 C ATOM 1454 O VAL A 93 13.399 20.102 34.199 1.00 12.78 O ATOM 1455 CB VAL A 93 11.986 22.164 31.977 1.00 12.54 C ATOM 1456 CG1 VAL A 93 13.247 22.807 32.490 1.00 15.10 C ATOM 1457 CG2 VAL A 93 11.984 22.166 30.441 1.00 14.14 C ATOM 1458 H VAL A 93 9.773 20.885 31.992 1.00 0.00 H ATOM 1459 HA VAL A 93 12.515 20.094 31.868 1.00 0.00 H ATOM 1460 HB VAL A 93 11.129 22.737 32.331 1.00 0.00 H ATOM 1461 HG11 VAL A 93 13.309 23.831 32.121 1.00 0.00 H ATOM 1462 HG12 VAL A 93 13.234 22.814 33.580 1.00 0.00 H ATOM 1463 HG13 VAL A 93 14.111 22.242 32.141 1.00 0.00 H ATOM 1464 HG21 VAL A 93 12.078 23.190 30.078 1.00 0.00 H ATOM 1465 HG22 VAL A 93 12.822 21.573 30.075 1.00 0.00 H ATOM 1466 HG23 VAL A 93 11.050 21.737 30.078 1.00 0.00 H ATOM 1467 N ALA A 94 11.446 20.889 34.907 1.00 11.32 N ATOM 1468 CA ALA A 94 11.802 20.743 36.304 1.00 14.03 C ATOM 1469 C ALA A 94 12.122 19.276 36.624 1.00 11.77 C ATOM 1470 O ALA A 94 13.023 18.941 37.363 1.00 13.70 O ATOM 1471 CB ALA A 94 10.683 21.271 37.205 1.00 15.14 C ATOM 1472 H ALA A 94 10.528 21.255 34.696 1.00 0.00 H ATOM 1473 HA ALA A 94 12.698 21.335 36.491 1.00 0.00 H ATOM 1474 HB1 ALA A 94 10.970 21.152 38.250 1.00 0.00 H ATOM 1475 HB2 ALA A 94 10.513 22.327 36.993 1.00 0.00 H ATOM 1476 HB3 ALA A 94 9.768 20.711 37.014 1.00 0.00 H ATOM 1477 N CYS A 95 11.290 18.382 36.069 1.00 11.92 N ATOM 1478 CA CYS A 95 11.502 16.937 36.293 1.00 11.46 C ATOM 1479 C CYS A 95 12.716 16.432 35.577 1.00 10.97 C ATOM 1480 O CYS A 95 13.523 15.654 36.140 1.00 12.53 O ATOM 1481 CB CYS A 95 10.233 16.192 35.991 1.00 12.67 C ATOM 1482 SG CYS A 95 10.311 14.394 36.325 1.00 13.56 S ATOM 1483 H CYS A 95 10.519 18.697 35.498 1.00 0.00 H ATOM 1484 HA CYS A 95 11.693 16.811 37.359 1.00 0.00 H ATOM 1485 HB3 CYS A 95 9.959 16.354 34.949 1.00 0.00 H ATOM 1486 HB2 CYS A 95 9.413 16.630 36.560 1.00 0.00 H ATOM 1487 N ALA A 96 13.007 16.889 34.370 1.00 10.42 N ATOM 1488 CA ALA A 96 14.241 16.508 33.671 1.00 11.09 C ATOM 1489 C ALA A 96 15.468 16.979 34.433 1.00 11.76 C ATOM 1490 O ALA A 96 16.490 16.261 34.477 1.00 13.14 O ATOM 1491 CB ALA A 96 14.255 17.054 32.263 1.00 13.08 C ATOM 1492 H ALA A 96 12.372 17.520 33.902 1.00 0.00 H ATOM 1493 HA ALA A 96 14.275 15.420 33.613 1.00 0.00 H ATOM 1494 HB1 ALA A 96 15.179 16.758 31.767 1.00 0.00 H ATOM 1495 HB2 ALA A 96 13.403 16.657 31.710 1.00 0.00 H ATOM 1496 HB3 ALA A 96 14.192 18.142 32.294 1.00 0.00 H ATOM 1497 N LYS A 97 15.408 18.176 35.028 1.00 11.55 N ATOM 1498 CA LYS A 97 16.504 18.653 35.878 1.00 11.67 C ATOM 1499 C LYS A 97 16.743 17.713 37.044 1.00 11.49 C ATOM 1500 O LYS A 97 17.884 17.391 37.359 1.00 14.28 O ATOM 1501 CB LYS A 97 16.212 20.088 36.357 1.00 12.72 C ATOM 1502 CG LYS A 97 16.368 21.133 35.251 1.00 12.67 C ATOM 1503 CD LYS A 97 15.985 22.506 35.764 1.00 13.88 C ATOM 1504 CE LYS A 97 16.226 23.587 34.721 1.00 14.34 C ATOM 1505 NZ LYS A 97 15.723 24.894 35.215 1.00 16.93 N1+ ATOM 1506 H LYS A 97 14.599 18.766 34.895 1.00 0.00 H ATOM 1507 HA LYS A 97 17.411 18.678 35.275 1.00 0.00 H ATOM 1508 HB3 LYS A 97 16.876 20.335 37.185 1.00 0.00 H ATOM 1509 HB2 LYS A 97 15.201 20.136 36.761 1.00 0.00 H ATOM 1510 HG3 LYS A 97 15.728 20.869 34.409 1.00 0.00 H ATOM 1511 HG2 LYS A 97 17.403 21.149 34.910 1.00 0.00 H ATOM 1512 HD3 LYS A 97 16.562 22.732 36.661 1.00 0.00 H ATOM 1513 HD2 LYS A 97 14.933 22.506 36.050 1.00 0.00 H ATOM 1514 HE3 LYS A 97 15.708 23.324 33.799 1.00 0.00 H ATOM 1515 HE2 LYS A 97 17.294 23.663 34.517 1.00 0.00 H ATOM 1516 HZ1 LYS A 97 15.496 25.487 34.429 1.00 0.00 H ATOM 1517 HZ2 LYS A 97 14.895 24.747 35.775 1.00 0.00 H ATOM 1518 HZ3 LYS A 97 16.435 25.339 35.777 1.00 0.00 H ATOM 1519 N ARG A 98 15.662 17.232 37.656 1.00 12.01 N ATOM 1520 CA ARG A 98 15.744 16.274 38.726 1.00 12.87 C ATOM 1521 C ARG A 98 16.404 14.968 38.280 1.00 12.26 C ATOM 1522 O ARG A 98 17.260 14.445 38.991 1.00 14.55 O ATOM 1523 CB ARG A 98 14.372 16.023 39.369 1.00 13.46 C ATOM 1524 CG ARG A 98 14.350 14.872 40.317 1.00 14.92 C ATOM 1525 CD ARG A 98 15.183 15.092 41.556 1.00 17.52 C ATOM 1526 NE ARG A 98 15.223 13.864 42.388 1.00 17.98 N ATOM 1527 CZ ARG A 98 16.113 12.885 42.319 1.00 18.76 C ATOM 1528 NH1 ARG A 98 17.051 12.827 41.371 1.00 21.63 N ATOM 1529 NH2 ARG A 98 16.020 11.928 43.233 1.00 21.98 N1+ ATOM 1530 H ARG A 98 14.743 17.539 37.372 1.00 0.00 H ATOM 1531 HA ARG A 98 16.383 16.708 39.495 1.00 0.00 H ATOM 1532 HB3 ARG A 98 13.630 15.861 38.587 1.00 0.00 H ATOM 1533 HB2 ARG A 98 14.045 16.925 39.887 1.00 0.00 H ATOM 1534 HG3 ARG A 98 14.695 13.974 39.804 1.00 0.00 H ATOM 1535 HG2 ARG A 98 13.320 14.661 40.606 1.00 0.00 H ATOM 1536 HD3 ARG A 98 14.759 15.911 42.138 1.00 0.00 H ATOM 1537 HD2 ARG A 98 16.197 15.368 41.267 1.00 0.00 H ATOM 1538 HE ARG A 98 14.472 13.817 43.062 1.00 0.00 H ATOM 1539 HH12 ARG A 98 17.709 12.061 41.358 1.00 0.00 H ATOM 1540 HH11 ARG A 98 17.103 13.549 40.667 1.00 0.00 H ATOM 1541 HH22 ARG A 98 16.673 11.158 43.226 1.00 0.00 H ATOM 1542 HH21 ARG A 98 15.296 11.969 43.936 1.00 0.00 H ATOM 1543 N VAL A 99 16.040 14.483 37.096 1.00 11.86 N ATOM 1544 CA VAL A 99 16.636 13.244 36.592 1.00 12.33 C ATOM 1545 C VAL A 99 18.139 13.381 36.528 1.00 12.78 C ATOM 1546 O VAL A 99 18.894 12.511 36.955 1.00 14.35 O ATOM 1547 CB VAL A 99 16.086 12.871 35.213 1.00 12.64 C ATOM 1548 CG1 VAL A 99 16.842 11.697 34.580 1.00 14.52 C ATOM 1549 CG2 VAL A 99 14.583 12.589 35.246 1.00 14.42 C ATOM 1550 H VAL A 99 15.350 14.970 36.541 1.00 0.00 H ATOM 1551 HA VAL A 99 16.394 12.440 37.287 1.00 0.00 H ATOM 1552 HB VAL A 99 16.235 13.734 34.565 1.00 0.00 H ATOM 1553 HG11 VAL A 99 16.413 11.472 33.604 1.00 0.00 H ATOM 1554 HG12 VAL A 99 17.893 11.962 34.462 1.00 0.00 H ATOM 1555 HG13 VAL A 99 16.758 10.821 35.223 1.00 0.00 H ATOM 1556 HG21 VAL A 99 14.240 12.329 34.245 1.00 0.00 H ATOM 1557 HG22 VAL A 99 14.383 11.760 35.925 1.00 0.00 H ATOM 1558 HG23 VAL A 99 14.054 13.477 35.592 1.00 0.00 H ATOM 1559 N VAL A 100 18.630 14.480 35.952 1.00 13.05 N ATOM 1560 CA VAL A 100 20.059 14.646 35.727 1.00 12.65 C ATOM 1561 C VAL A 100 20.831 15.025 36.950 1.00 14.23 C ATOM 1562 O VAL A 100 22.087 15.070 36.868 1.00 17.68 O ATOM 1563 CB VAL A 100 20.366 15.488 34.511 1.00 12.79 C ATOM 1564 CG1 VAL A 100 19.716 14.936 33.262 1.00 14.07 C ATOM 1565 CG2 VAL A 100 20.037 16.947 34.711 1.00 14.57 C ATOM 1566 H VAL A 100 18.006 15.220 35.662 1.00 0.00 H ATOM 1567 HA VAL A 100 20.417 13.649 35.471 1.00 0.00 H ATOM 1568 HB VAL A 100 21.443 15.429 34.354 1.00 0.00 H ATOM 1569 HG11 VAL A 100 19.963 15.572 32.412 1.00 0.00 H ATOM 1570 HG12 VAL A 100 20.082 13.926 33.078 1.00 0.00 H ATOM 1571 HG13 VAL A 100 18.634 14.912 33.395 1.00 0.00 H ATOM 1572 HG21 VAL A 100 20.279 17.502 33.805 1.00 0.00 H ATOM 1573 HG22 VAL A 100 18.974 17.054 34.930 1.00 0.00 H ATOM 1574 HG23 VAL A 100 20.620 17.341 35.544 1.00 0.00 H ATOM 1575 N ARG A 101 20.215 15.219 38.108 1.00 15.12 N ATOM 1576 CA ARG A 101 20.878 15.434 39.379 1.00 17.78 C ATOM 1577 C ARG A 101 21.423 14.145 39.971 1.00 20.08 C ATOM 1578 O ARG A 101 22.307 14.124 40.830 1.00 23.74 O ATOM 1579 CB ARG A 101 20.047 16.227 40.384 1.00 18.42 C ATOM 1580 CG ARG A 101 19.965 17.710 40.073 1.00 18.87 C ATOM 1581 CD ARG A 101 19.473 18.575 41.193 1.00 18.67 C ATOM 1582 NE ARG A 101 18.098 18.227 41.619 1.00 20.24 N ATOM 1583 CZ ARG A 101 16.991 18.782 41.195 1.00 16.31 C ATOM 1584 NH1 ARG A 101 16.974 19.592 40.127 1.00 19.85 N ATOM 1585 NH2 ARG A 101 15.828 18.489 41.766 1.00 21.13 N1+ ATOM 1586 H ARG A 101 19.206 15.224 38.149 1.00 0.00 H ATOM 1587 HA ARG A 101 21.749 16.052 39.160 1.00 0.00 H ATOM 1588 HB3 ARG A 101 20.460 16.089 41.383 1.00 0.00 H ATOM 1589 HB2 ARG A 101 19.041 15.811 40.429 1.00 0.00 H ATOM 1590 HG3 ARG A 101 19.333 17.860 39.198 1.00 0.00 H ATOM 1591 HG2 ARG A 101 20.943 18.064 39.747 1.00 0.00 H ATOM 1592 HD3 ARG A 101 19.503 19.620 40.884 1.00 0.00 H ATOM 1593 HD2 ARG A 101 20.149 18.486 42.043 1.00 0.00 H ATOM 1594 HE ARG A 101 18.061 17.485 42.303 1.00 0.00 H ATOM 1595 HH12 ARG A 101 16.105 20.007 39.822 1.00 0.00 H ATOM 1596 HH11 ARG A 101 17.830 19.787 39.628 1.00 0.00 H ATOM 1597 HH22 ARG A 101 14.978 18.922 41.433 1.00 0.00 H ATOM 1598 HH21 ARG A 101 15.793 17.833 42.534 1.00 0.00 H ATOM 1599 N ASP A 102 20.957 13.017 39.431 1.00 17.13 N ATOM 1600 CA ASP A 102 21.493 11.697 39.805 1.00 18.60 C ATOM 1601 C ASP A 102 22.811 11.524 39.069 1.00 18.33 C ATOM 1602 O ASP A 102 23.039 12.194 38.049 1.00 17.88 O ATOM 1603 CB ASP A 102 20.483 10.608 39.411 1.00 25.63 C ATOM 1604 CG ASP A 102 19.442 10.383 40.501 1.00 29.45 C ATOM 1605 OD1 ASP A 102 19.380 11.199 41.437 1.00 31.08 O ATOM 1606 OD2 ASP A 102 18.675 9.383 40.401 1.00 39.39 O1- ATOM 1607 H ASP A 102 20.216 13.054 38.745 1.00 0.00 H ATOM 1608 HA ASP A 102 21.667 11.664 40.881 1.00 0.00 H ATOM 1609 HB3 ASP A 102 21.013 9.675 39.217 1.00 0.00 H ATOM 1610 HB2 ASP A 102 19.983 10.895 38.486 1.00 0.00 H ATOM 1611 N PRO A 103 23.680 10.667 39.533 1.00 21.13 N ATOM 1612 CA PRO A 103 25.004 10.485 38.927 1.00 24.39 C ATOM 1613 C PRO A 103 25.060 10.189 37.455 1.00 20.09 C ATOM 1614 O PRO A 103 25.977 10.719 36.771 1.00 18.73 O ATOM 1615 CB PRO A 103 25.583 9.338 39.769 1.00 27.01 C ATOM 1616 CG PRO A 103 24.910 9.447 41.087 1.00 27.24 C ATOM 1617 CD PRO A 103 23.520 9.942 40.770 1.00 23.20 C ATOM 1618 HA PRO A 103 25.594 11.381 39.118 1.00 0.00 H ATOM 1619 HB3 PRO A 103 26.655 9.489 39.897 1.00 0.00 H ATOM 1620 HB2 PRO A 103 25.324 8.385 39.308 1.00 0.00 H ATOM 1621 HG3 PRO A 103 25.427 10.188 41.696 1.00 0.00 H ATOM 1622 HG2 PRO A 103 24.846 8.459 41.543 1.00 0.00 H ATOM 1623 HD2 PRO A 103 22.862 9.089 40.605 1.00 0.00 H ATOM 1624 HD3 PRO A 103 23.195 10.629 41.551 1.00 0.00 H ATOM 1625 N GLN A 104 24.152 9.405 36.895 1.00 18.34 N ATOM 1626 CA GLN A 104 24.190 9.021 35.457 1.00 21.23 C ATOM 1627 C GLN A 104 23.989 10.238 34.581 1.00 17.94 C ATOM 1628 O GLN A 104 24.287 10.232 33.393 1.00 18.00 O ATOM 1629 CB GLN A 104 22.964 8.102 35.159 1.00 24.12 C ATOM 1630 CG GLN A 104 23.171 6.659 35.036 1.00 47.13 C ATOM 1631 CD GLN A 104 21.992 5.892 34.431 1.00 47.32 C ATOM 1632 OE1 GLN A 104 22.165 5.001 33.612 1.00 60.39 O ATOM 1633 NE2 GLN A 104 20.778 6.322 34.790 1.00 62.61 N ATOM 1634 H GLN A 104 23.390 9.039 37.448 1.00 0.00 H ATOM 1635 HA GLN A 104 25.124 8.515 35.213 1.00 0.00 H ATOM 1636 HB3 GLN A 104 22.456 8.466 34.266 1.00 0.00 H ATOM 1637 HB2 GLN A 104 22.191 8.288 35.904 1.00 0.00 H ATOM 1638 HG3 GLN A 104 23.407 6.244 36.016 1.00 0.00 H ATOM 1639 HG2 GLN A 104 24.066 6.472 34.442 1.00 0.00 H ATOM 1640 HE22 GLN A 104 19.953 5.864 34.430 1.00 0.00 H ATOM 1641 HE21 GLN A 104 20.686 7.105 35.421 1.00 0.00 H ATOM 1642 N GLY A 105 23.358 11.270 35.149 1.00 16.59 N ATOM 1643 CA GLY A 105 23.096 12.414 34.292 1.00 17.91 C ATOM 1644 C GLY A 105 22.194 12.090 33.127 1.00 15.90 C ATOM 1645 O GLY A 105 21.209 11.346 33.219 1.00 17.09 O ATOM 1646 H GLY A 105 23.092 11.225 36.122 1.00 0.00 H ATOM 1647 HA3 GLY A 105 24.040 12.811 33.919 1.00 0.00 H ATOM 1648 HA2 GLY A 105 22.651 13.214 34.883 1.00 0.00 H ATOM 1649 N ILE A 106 22.493 12.610 31.941 1.00 15.81 N ATOM 1650 CA ILE A 106 21.634 12.390 30.789 1.00 17.11 C ATOM 1651 C ILE A 106 21.703 10.988 30.254 1.00 15.80 C ATOM 1652 O ILE A 106 20.898 10.593 29.413 1.00 16.82 O ATOM 1653 CB ILE A 106 21.928 13.435 29.715 1.00 17.55 C ATOM 1654 CG1 ILE A 106 20.871 13.542 28.615 1.00 19.14 C ATOM 1655 CG2 ILE A 106 23.310 13.288 29.154 1.00 21.03 C ATOM 1656 CD1 ILE A 106 20.770 14.868 27.974 1.00 17.90 C ATOM 1657 H ILE A 106 23.328 13.168 31.830 1.00 0.00 H ATOM 1658 HA ILE A 106 20.609 12.554 31.121 1.00 0.00 H ATOM 1659 HB ILE A 106 21.918 14.397 30.228 1.00 0.00 H ATOM 1660 HG13 ILE A 106 19.899 13.263 29.021 1.00 0.00 H ATOM 1661 HG12 ILE A 106 21.066 12.787 27.853 1.00 0.00 H ATOM 1662 HG21 ILE A 106 23.477 14.051 28.394 1.00 0.00 H ATOM 1663 HG22 ILE A 106 24.042 13.406 29.953 1.00 0.00 H ATOM 1664 HG23 ILE A 106 23.418 12.300 28.706 1.00 0.00 H ATOM 1665 HD11 ILE A 106 19.994 14.844 27.209 1.00 0.00 H ATOM 1666 HD12 ILE A 106 20.516 15.617 28.725 1.00 0.00 H ATOM 1667 HD13 ILE A 106 21.725 15.124 27.515 1.00 0.00 H ATOM 1668 N ARG A 107 22.670 10.205 30.755 1.00 16.58 N ATOM 1669 CA ARG A 107 22.734 8.799 30.334 1.00 17.13 C ATOM 1670 C ARG A 107 21.563 8.002 30.845 1.00 20.36 C ATOM 1671 O ARG A 107 21.400 6.838 30.388 1.00 21.86 O ATOM 1672 CB ARG A 107 24.049 8.174 30.806 1.00 18.94 C ATOM 1673 CG ARG A 107 25.244 8.763 30.064 1.00 23.89 C ATOM 1674 CD ARG A 107 26.575 8.217 30.583 1.00 39.98 C ATOM 1675 NE ARG A 107 27.680 9.103 30.108 1.00 47.72 N ATOM 1676 CZ ARG A 107 27.578 10.434 30.252 1.00 67.00 C ATOM 1677 NH1 ARG A 107 27.041 10.943 31.367 1.00 74.07 N ATOM 1678 NH2 ARG A 107 28.000 11.263 29.310 1.00 64.71 N1+ ATOM 1679 H ARG A 107 23.338 10.585 31.410 1.00 0.00 H ATOM 1680 HA ARG A 107 22.716 8.769 29.245 1.00 0.00 H ATOM 1681 HB3 ARG A 107 24.017 7.096 30.645 1.00 0.00 H ATOM 1682 HB2 ARG A 107 24.167 8.343 31.876 1.00 0.00 H ATOM 1683 HG3 ARG A 107 25.234 9.848 30.164 1.00 0.00 H ATOM 1684 HG2 ARG A 107 25.153 8.545 29.000 1.00 0.00 H ATOM 1685 HD3 ARG A 107 26.728 7.208 30.199 1.00 0.00 H ATOM 1686 HD2 ARG A 107 26.562 8.205 31.673 1.00 0.00 H ATOM 1687 HE ARG A 107 28.502 8.703 29.679 1.00 0.00 H ATOM 1688 HH12 ARG A 107 26.963 11.944 31.479 1.00 0.00 H ATOM 1689 HH11 ARG A 107 26.714 10.326 32.097 1.00 0.00 H ATOM 1690 HH22 ARG A 107 27.913 12.261 29.440 1.00 0.00 H ATOM 1691 HH21 ARG A 107 28.409 10.898 28.462 1.00 0.00 H ATOM 1692 N ALA A 108 20.754 8.564 31.725 1.00 18.54 N ATOM 1693 CA ALA A 108 19.540 7.875 32.177 1.00 21.58 C ATOM 1694 C ALA A 108 18.661 7.479 31.007 1.00 18.41 C ATOM 1695 O ALA A 108 17.903 6.494 31.080 1.00 24.26 O ATOM 1696 CB ALA A 108 18.756 8.713 33.161 1.00 25.52 C ATOM 1697 H ALA A 108 20.968 9.479 32.095 1.00 0.00 H ATOM 1698 HA ALA A 108 19.846 6.962 32.687 1.00 0.00 H ATOM 1699 HB1 ALA A 108 17.864 8.169 33.473 1.00 0.00 H ATOM 1700 HB2 ALA A 108 19.375 8.925 34.033 1.00 0.00 H ATOM 1701 HB3 ALA A 108 18.463 9.650 32.688 1.00 0.00 H ATOM 1702 N TRP A 109 18.681 8.283 29.948 1.00 16.15 N ATOM 1703 CA TRP A 109 17.886 7.997 28.764 1.00 16.79 C ATOM 1704 C TRP A 109 18.719 7.206 27.743 1.00 15.57 C ATOM 1705 O TRP A 109 19.705 7.706 27.190 1.00 17.44 O ATOM 1706 CB TRP A 109 17.375 9.246 28.157 1.00 14.21 C ATOM 1707 CG TRP A 109 16.350 10.031 28.841 1.00 14.22 C ATOM 1708 CD1 TRP A 109 14.971 9.855 28.742 1.00 17.01 C ATOM 1709 CD2 TRP A 109 16.510 11.158 29.734 1.00 13.07 C ATOM 1710 NE1 TRP A 109 14.344 10.803 29.467 1.00 16.16 N ATOM 1711 CE2 TRP A 109 15.227 11.615 30.085 1.00 14.95 C ATOM 1712 CE3 TRP A 109 17.601 11.846 30.198 1.00 14.74 C ATOM 1713 CZ2 TRP A 109 15.036 12.719 30.937 1.00 16.94 C ATOM 1714 CZ3 TRP A 109 17.440 12.926 31.026 1.00 14.74 C ATOM 1715 CH2 TRP A 109 16.162 13.378 31.386 1.00 16.52 C ATOM 1716 H TRP A 109 19.257 9.113 29.955 1.00 0.00 H ATOM 1717 HA TRP A 109 17.034 7.385 29.061 1.00 0.00 H ATOM 1718 HB3 TRP A 109 17.039 9.034 27.142 1.00 0.00 H ATOM 1719 HB2 TRP A 109 18.218 9.895 27.921 1.00 0.00 H ATOM 1720 HD1 TRP A 109 14.571 9.048 28.147 1.00 0.00 H ATOM 1721 HE1 TRP A 109 13.335 10.834 29.493 1.00 0.00 H ATOM 1722 HE3 TRP A 109 18.596 11.538 29.911 1.00 0.00 H ATOM 1723 HZ2 TRP A 109 14.037 13.020 31.215 1.00 0.00 H ATOM 1724 HZ3 TRP A 109 18.305 13.444 31.413 1.00 0.00 H ATOM 1725 HH2 TRP A 109 16.062 14.248 32.019 1.00 0.00 H ATOM 1726 N VAL A 110 18.304 5.964 27.500 1.00 18.17 N ATOM 1727 CA VAL A 110 19.064 5.156 26.553 1.00 20.77 C ATOM 1728 C VAL A 110 19.133 5.780 25.187 1.00 18.43 C ATOM 1729 O VAL A 110 20.183 5.634 24.513 1.00 20.67 O ATOM 1730 CB VAL A 110 18.659 3.693 26.474 1.00 28.20 C ATOM 1731 CG1 VAL A 110 18.477 3.043 27.789 1.00 32.48 C ATOM 1732 CG2 VAL A 110 17.581 3.447 25.474 1.00 32.96 C ATOM 1733 H VAL A 110 17.483 5.605 27.967 1.00 0.00 H ATOM 1734 HA VAL A 110 20.088 5.156 26.926 1.00 0.00 H ATOM 1735 HB VAL A 110 19.533 3.197 26.051 1.00 0.00 H ATOM 1736 HG11 VAL A 110 18.189 2.002 27.643 1.00 0.00 H ATOM 1737 HG12 VAL A 110 19.411 3.086 28.349 1.00 0.00 H ATOM 1738 HG13 VAL A 110 17.696 3.561 28.346 1.00 0.00 H ATOM 1739 HG21 VAL A 110 17.332 2.386 25.461 1.00 0.00 H ATOM 1740 HG22 VAL A 110 16.696 4.024 25.744 1.00 0.00 H ATOM 1741 HG23 VAL A 110 17.925 3.751 24.486 1.00 0.00 H ATOM 1742 N ALA A 111 18.079 6.414 24.710 1.00 18.39 N ATOM 1743 CA ALA A 111 18.074 7.015 23.377 1.00 20.08 C ATOM 1744 C ALA A 111 19.195 8.030 23.224 1.00 17.47 C ATOM 1745 O ALA A 111 19.738 8.169 22.116 1.00 19.35 O ATOM 1746 CB ALA A 111 16.743 7.714 23.086 1.00 21.74 C ATOM 1747 H ALA A 111 17.242 6.495 25.270 1.00 0.00 H ATOM 1748 HA ALA A 111 18.219 6.225 22.640 1.00 0.00 H ATOM 1749 HB1 ALA A 111 16.772 8.150 22.088 1.00 0.00 H ATOM 1750 HB2 ALA A 111 15.931 6.989 23.142 1.00 0.00 H ATOM 1751 HB3 ALA A 111 16.577 8.501 23.821 1.00 0.00 H ATOM 1752 N TRP A 112 19.556 8.729 24.302 1.00 16.39 N ATOM 1753 CA TRP A 112 20.683 9.662 24.228 1.00 14.27 C ATOM 1754 C TRP A 112 21.986 8.915 23.966 1.00 14.94 C ATOM 1755 O TRP A 112 22.813 9.351 23.142 1.00 14.58 O ATOM 1756 CB TRP A 112 20.769 10.512 25.521 1.00 14.56 C ATOM 1757 CG TRP A 112 21.869 11.541 25.399 1.00 15.83 C ATOM 1758 CD1 TRP A 112 21.779 12.797 24.865 1.00 15.71 C ATOM 1759 CD2 TRP A 112 23.223 11.363 25.820 1.00 15.54 C ATOM 1760 NE1 TRP A 112 23.009 13.410 24.937 1.00 15.81 N ATOM 1761 CE2 TRP A 112 23.915 12.559 25.527 1.00 16.34 C ATOM 1762 CE3 TRP A 112 23.914 10.336 26.444 1.00 16.24 C ATOM 1763 CZ2 TRP A 112 25.259 12.715 25.822 1.00 19.60 C ATOM 1764 CZ3 TRP A 112 25.263 10.491 26.734 1.00 19.22 C ATOM 1765 CH2 TRP A 112 25.928 11.675 26.421 1.00 21.44 C ATOM 1766 H TRP A 112 19.052 8.615 25.170 1.00 0.00 H ATOM 1767 HA TRP A 112 20.507 10.338 23.391 1.00 0.00 H ATOM 1768 HB3 TRP A 112 20.974 9.861 26.371 1.00 0.00 H ATOM 1769 HB2 TRP A 112 19.817 11.016 25.688 1.00 0.00 H ATOM 1770 HD1 TRP A 112 20.836 13.152 24.475 1.00 0.00 H ATOM 1771 HE1 TRP A 112 23.127 14.348 24.582 1.00 0.00 H ATOM 1772 HE3 TRP A 112 23.403 9.420 26.702 1.00 0.00 H ATOM 1773 HZ2 TRP A 112 25.761 13.641 25.581 1.00 0.00 H ATOM 1774 HZ3 TRP A 112 25.809 9.689 27.208 1.00 0.00 H ATOM 1775 HH2 TRP A 112 26.978 11.771 26.653 1.00 0.00 H ATOM 1776 N ARG A 113 22.178 7.753 24.595 1.00 15.14 N ATOM 1777 CA ARG A 113 23.397 6.975 24.338 1.00 16.43 C ATOM 1778 C ARG A 113 23.433 6.502 22.894 1.00 17.09 C ATOM 1779 O ARG A 113 24.494 6.505 22.258 1.00 18.84 O ATOM 1780 CB ARG A 113 23.438 5.738 25.255 1.00 19.05 C ATOM 1781 CG ARG A 113 23.334 6.042 26.736 1.00 21.06 C ATOM 1782 CD ARG A 113 23.357 4.758 27.550 1.00 31.33 C ATOM 1783 NE ARG A 113 22.665 4.876 28.808 1.00 32.96 N ATOM 1784 CZ ARG A 113 22.269 3.883 29.564 1.00 39.44 C ATOM 1785 NH1 ARG A 113 22.526 2.618 29.189 1.00 48.10 N ATOM 1786 NH2 ARG A 113 21.629 4.127 30.695 1.00 49.31 N1+ ATOM 1787 H ARG A 113 21.486 7.411 25.246 1.00 0.00 H ATOM 1788 HA ARG A 113 24.270 7.598 24.535 1.00 0.00 H ATOM 1789 HB3 ARG A 113 24.354 5.178 25.065 1.00 0.00 H ATOM 1790 HB2 ARG A 113 22.640 5.052 24.971 1.00 0.00 H ATOM 1791 HG3 ARG A 113 22.406 6.579 26.932 1.00 0.00 H ATOM 1792 HG2 ARG A 113 24.168 6.677 27.036 1.00 0.00 H ATOM 1793 HD3 ARG A 113 24.390 4.463 27.732 1.00 0.00 H ATOM 1794 HD2 ARG A 113 22.913 3.952 26.967 1.00 0.00 H ATOM 1795 HE ARG A 113 22.491 5.829 29.094 1.00 0.00 H ATOM 1796 HH12 ARG A 113 22.223 1.848 29.768 1.00 0.00 H ATOM 1797 HH11 ARG A 113 23.022 2.437 28.328 1.00 0.00 H ATOM 1798 HH22 ARG A 113 21.324 3.361 31.278 1.00 0.00 H ATOM 1799 HH21 ARG A 113 21.445 5.080 30.976 1.00 0.00 H ATOM 1800 N ASN A 114 22.283 6.038 22.378 1.00 15.91 N ATOM 1801 CA ASN A 114 22.246 5.518 21.030 1.00 17.99 C ATOM 1802 C ASN A 114 22.382 6.576 19.943 1.00 15.89 C ATOM 1803 O ASN A 114 23.011 6.320 18.926 1.00 20.21 O ATOM 1804 CB ASN A 114 20.939 4.758 20.742 1.00 22.77 C ATOM 1805 CG ASN A 114 20.619 3.644 21.688 1.00 26.98 C ATOM 1806 OD1 ASN A 114 21.335 3.210 22.532 1.00 28.93 O ATOM 1807 ND2 ASN A 114 19.339 3.202 21.546 1.00 33.78 N ATOM 1808 H ASN A 114 21.439 6.051 22.933 1.00 0.00 H ATOM 1809 HA ASN A 114 23.073 4.816 20.919 1.00 0.00 H ATOM 1810 HB3 ASN A 114 20.965 4.369 19.724 1.00 0.00 H ATOM 1811 HB2 ASN A 114 20.109 5.464 20.723 1.00 0.00 H ATOM 1812 HD22 ASN A 114 18.997 2.450 22.128 1.00 0.00 H ATOM 1813 HD21 ASN A 114 18.732 3.626 20.859 1.00 0.00 H ATOM 1814 N ARG A 115 21.724 7.748 20.133 1.00 16.64 N ATOM 1815 CA ARG A 115 21.611 8.718 19.070 1.00 17.38 C ATOM 1816 C ARG A 115 22.443 9.979 19.203 1.00 17.46 C ATOM 1817 O ARG A 115 22.536 10.754 18.223 1.00 20.36 O ATOM 1818 CB ARG A 115 20.124 9.144 19.001 1.00 18.38 C ATOM 1819 CG ARG A 115 19.165 8.021 18.737 1.00 24.94 C ATOM 1820 CD ARG A 115 19.052 7.770 17.230 1.00 30.28 C ATOM 1821 NE ARG A 115 18.018 6.713 17.049 1.00 32.22 N ATOM 1822 CZ ARG A 115 17.715 6.302 15.822 1.00 32.89 C ATOM 1823 NH1 ARG A 115 18.261 6.977 14.815 1.00 35.05 N ATOM 1824 NH2 ARG A 115 16.913 5.291 15.653 1.00 36.35 N1+ ATOM 1825 H ARG A 115 21.304 7.952 21.029 1.00 0.00 H ATOM 1826 HA ARG A 115 21.873 8.231 18.131 1.00 0.00 H ATOM 1827 HB3 ARG A 115 20.003 9.910 18.235 1.00 0.00 H ATOM 1828 HB2 ARG A 115 19.848 9.643 19.930 1.00 0.00 H ATOM 1829 HG3 ARG A 115 18.184 8.280 19.137 1.00 0.00 H ATOM 1830 HG2 ARG A 115 19.521 7.116 19.230 1.00 0.00 H ATOM 1831 HD3 ARG A 115 20.008 7.411 16.850 1.00 0.00 H ATOM 1832 HD2 ARG A 115 18.726 8.684 16.734 1.00 0.00 H ATOM 1833 HE ARG A 115 17.549 6.309 17.847 1.00 0.00 H ATOM 1834 HH12 ARG A 115 18.065 6.708 13.861 1.00 0.00 H ATOM 1835 HH11 ARG A 115 18.872 7.759 15.004 1.00 0.00 H ATOM 1836 HH22 ARG A 115 16.683 4.979 14.720 1.00 0.00 H ATOM 1837 HH21 ARG A 115 16.520 4.818 16.455 1.00 0.00 H ATOM 1838 N CYS A 116 22.938 10.276 20.386 1.00 15.08 N ATOM 1839 CA CYS A 116 23.530 11.545 20.690 1.00 14.67 C ATOM 1840 C CYS A 116 24.960 11.478 21.200 1.00 16.40 C ATOM 1841 O CYS A 116 25.784 12.341 20.865 1.00 18.54 O ATOM 1842 CB CYS A 116 22.688 12.315 21.712 1.00 14.17 C ATOM 1843 SG CYS A 116 20.914 12.467 21.292 1.00 14.27 S ATOM 1844 H CYS A 116 22.911 9.594 21.130 1.00 0.00 H ATOM 1845 HA CYS A 116 23.539 12.129 19.770 1.00 0.00 H ATOM 1846 HB3 CYS A 116 23.112 13.309 21.852 1.00 0.00 H ATOM 1847 HB2 CYS A 116 22.788 11.844 22.690 1.00 0.00 H ATOM 1848 N GLN A 117 25.238 10.534 22.088 1.00 16.23 N ATOM 1849 CA GLN A 117 26.555 10.446 22.718 1.00 18.20 C ATOM 1850 C GLN A 117 27.655 10.264 21.686 1.00 20.42 C ATOM 1851 O GLN A 117 27.518 9.436 20.784 1.00 20.59 O ATOM 1852 CB GLN A 117 26.575 9.254 23.679 1.00 19.87 C ATOM 1853 CG GLN A 117 27.882 9.048 24.401 1.00 23.21 C ATOM 1854 CD GLN A 117 27.774 8.034 25.535 1.00 24.24 C ATOM 1855 OE1 GLN A 117 28.650 8.176 26.521 1.00 33.47 O ATOM 1856 NE2 GLN A 117 26.944 7.161 25.523 1.00 37.16 N ATOM 1857 H GLN A 117 24.533 9.856 22.342 1.00 0.00 H ATOM 1858 HA GLN A 117 26.742 11.360 23.281 1.00 0.00 H ATOM 1859 HB3 GLN A 117 26.317 8.346 23.133 1.00 0.00 H ATOM 1860 HB2 GLN A 117 25.773 9.366 24.409 1.00 0.00 H ATOM 1861 HG3 GLN A 117 28.230 10.001 24.799 1.00 0.00 H ATOM 1862 HG2 GLN A 117 28.640 8.718 23.691 1.00 0.00 H ATOM 1863 HE22 GLN A 117 26.893 6.502 26.287 1.00 0.00 H ATOM 1864 HE21 GLN A 117 26.299 7.088 24.749 1.00 0.00 H ATOM 1865 N ASN A 118 28.773 10.962 21.869 1.00 23.71 N ATOM 1866 CA ASN A 118 29.903 10.776 20.985 1.00 28.55 C ATOM 1867 C ASN A 118 29.575 11.078 19.545 1.00 27.64 C ATOM 1868 O ASN A 118 30.234 10.565 18.634 1.00 33.21 O ATOM 1869 CB ASN A 118 30.529 9.378 21.108 1.00 34.02 C ATOM 1870 CG ASN A 118 31.004 9.059 22.511 1.00 36.99 C ATOM 1871 OD1 ASN A 118 31.633 9.884 23.158 1.00 41.09 O ATOM 1872 ND2 ASN A 118 30.686 7.858 23.001 1.00 45.69 N ATOM 1873 H ASN A 118 28.836 11.625 22.628 1.00 0.00 H ATOM 1874 HA ASN A 118 30.666 11.492 21.292 1.00 0.00 H ATOM 1875 HB3 ASN A 118 31.366 9.294 20.415 1.00 0.00 H ATOM 1876 HB2 ASN A 118 29.804 8.628 20.792 1.00 0.00 H ATOM 1877 HD22 ASN A 118 30.980 7.598 23.932 1.00 0.00 H ATOM 1878 HD21 ASN A 118 30.152 7.209 22.441 1.00 0.00 H ATOM 1879 N ARG A 119 28.617 11.950 19.311 1.00 26.95 N ATOM 1880 CA ARG A 119 28.268 12.385 17.970 1.00 29.41 C ATOM 1881 C ARG A 119 28.265 13.942 17.931 1.00 27.46 C ATOM 1882 O ARG A 119 28.129 14.584 18.952 1.00 28.03 O ATOM 1883 CB ARG A 119 26.826 11.979 17.612 1.00 27.29 C ATOM 1884 CG ARG A 119 26.624 10.524 17.340 1.00 29.07 C ATOM 1885 CD ARG A 119 25.240 10.265 16.745 1.00 33.27 C ATOM 1886 NE ARG A 119 24.901 8.847 16.957 1.00 34.40 N ATOM 1887 CZ ARG A 119 24.463 8.073 15.970 1.00 33.71 C ATOM 1888 NH1 ARG A 119 24.571 8.434 14.724 1.00 39.46 N ATOM 1889 NH2 ARG A 119 23.981 6.895 16.302 1.00 32.31 N1+ ATOM 1890 H ARG A 119 28.093 12.343 20.080 1.00 0.00 H ATOM 1891 HA ARG A 119 28.972 11.984 17.241 1.00 0.00 H ATOM 1892 HB3 ARG A 119 26.493 12.557 16.750 1.00 0.00 H ATOM 1893 HB2 ARG A 119 26.154 12.293 18.411 1.00 0.00 H ATOM 1894 HG3 ARG A 119 26.731 9.963 18.268 1.00 0.00 H ATOM 1895 HG2 ARG A 119 27.389 10.175 16.646 1.00 0.00 H ATOM 1896 HD3 ARG A 119 25.259 10.478 15.676 1.00 0.00 H ATOM 1897 HD2 ARG A 119 24.505 10.893 17.249 1.00 0.00 H ATOM 1898 HE ARG A 119 25.010 8.467 17.886 1.00 0.00 H ATOM 1899 HH12 ARG A 119 24.230 7.828 13.991 1.00 0.00 H ATOM 1900 HH11 ARG A 119 24.995 9.320 14.490 1.00 0.00 H ATOM 1901 HH22 ARG A 119 23.636 6.271 15.587 1.00 0.00 H ATOM 1902 HH21 ARG A 119 23.956 6.615 17.272 1.00 0.00 H ATOM 1903 N ASP A 120 28.337 14.437 16.715 1.00 30.41 N ATOM 1904 CA ASP A 120 28.271 15.903 16.516 1.00 27.35 C ATOM 1905 C ASP A 120 26.789 16.271 16.649 1.00 25.50 C ATOM 1906 O ASP A 120 26.003 15.786 15.837 1.00 30.21 O ATOM 1907 CB ASP A 120 28.684 16.101 15.013 1.00 31.42 C ATOM 1908 CG ASP A 120 28.893 17.572 14.722 1.00 38.14 C ATOM 1909 OD1 ASP A 120 28.414 18.386 15.568 1.00 41.12 O ATOM 1910 OD2 ASP A 120 29.379 17.905 13.645 1.00 34.42 O1- ATOM 1911 H ASP A 120 28.437 13.818 15.923 1.00 0.00 H ATOM 1912 HA ASP A 120 28.909 16.454 17.207 1.00 0.00 H ATOM 1913 HB3 ASP A 120 27.898 15.711 14.366 1.00 0.00 H ATOM 1914 HB2 ASP A 120 29.608 15.557 14.816 1.00 0.00 H ATOM 1915 N VAL A 121 26.432 17.026 17.687 1.00 22.52 N ATOM 1916 CA VAL A 121 25.045 17.377 17.914 1.00 21.13 C ATOM 1917 C VAL A 121 24.753 18.841 17.679 1.00 22.32 C ATOM 1918 O VAL A 121 23.663 19.328 17.944 1.00 18.74 O ATOM 1919 CB VAL A 121 24.536 16.935 19.292 1.00 22.58 C ATOM 1920 CG1 VAL A 121 24.511 15.422 19.415 1.00 30.69 C ATOM 1921 CG2 VAL A 121 25.292 17.595 20.419 1.00 25.84 C ATOM 1922 H VAL A 121 27.133 17.363 18.331 1.00 0.00 H ATOM 1923 HA VAL A 121 24.462 16.824 17.178 1.00 0.00 H ATOM 1924 HB VAL A 121 23.502 17.273 19.368 1.00 0.00 H ATOM 1925 HG11 VAL A 121 24.145 15.143 20.403 1.00 0.00 H ATOM 1926 HG12 VAL A 121 23.851 15.006 18.654 1.00 0.00 H ATOM 1927 HG13 VAL A 121 25.518 15.029 19.277 1.00 0.00 H ATOM 1928 HG21 VAL A 121 24.895 17.250 21.374 1.00 0.00 H ATOM 1929 HG22 VAL A 121 26.348 17.335 20.350 1.00 0.00 H ATOM 1930 HG23 VAL A 121 25.179 18.677 20.348 1.00 0.00 H ATOM 1931 N ARG A 122 25.745 19.598 17.192 1.00 27.46 N ATOM 1932 CA ARG A 122 25.526 21.038 16.940 1.00 27.65 C ATOM 1933 C ARG A 122 24.386 21.297 15.984 1.00 24.97 C ATOM 1934 O ARG A 122 23.764 22.376 16.020 1.00 25.46 O ATOM 1935 CB AARG A 122 26.825 21.689 16.496 0.50 29.85 C ATOM 1936 CB BARG A 122 26.848 21.527 16.242 0.50 28.87 C ATOM 1937 CG AARG A 122 26.907 21.967 15.006 0.50 34.26 C ATOM 1938 CG BARG A 122 28.061 21.210 17.122 0.50 37.32 C ATOM 1939 CD AARG A 122 27.758 23.200 14.705 0.50 33.83 C ATOM 1940 CD BARG A 122 27.907 22.022 18.426 0.50 40.48 C ATOM 1941 NE AARG A 122 29.183 22.837 14.658 0.50 37.37 N ATOM 1942 NE BARG A 122 26.936 23.095 18.208 0.50 40.95 N ATOM 1943 CZ AARG A 122 29.698 21.896 15.457 0.50 37.41 C ATOM 1944 CZ BARG A 122 26.457 23.895 19.152 0.50 41.42 C ATOM 1945 NH1AARG A 122 29.552 22.016 16.772 0.50 44.26 N ATOM 1946 NH1BARG A 122 26.123 23.403 20.334 0.50 44.41 N ATOM 1947 NH2AARG A 122 30.334 20.870 14.935 0.50 43.88 N1+ ATOM 1948 NH2BARG A 122 26.311 25.194 18.898 0.50 53.39 N1+ ATOM 1949 H ARG A 122 26.646 19.185 16.996 1.00 0.00 H ATOM 1950 HA ARG A 122 25.252 21.490 17.893 1.00 0.00 H ATOM 1951 HB3AARG A 122 27.664 21.060 16.793 0.50 0.00 H ATOM 1952 HB3BARG A 122 26.793 22.602 16.073 0.50 0.00 H ATOM 1953 HB2AARG A 122 26.969 22.619 17.045 0.50 0.00 H ATOM 1954 HB2BARG A 122 26.957 21.027 15.280 0.50 0.00 H ATOM 1955 HG3AARG A 122 25.903 22.114 14.609 0.50 0.00 H ATOM 1956 HG3BARG A 122 28.972 21.518 16.609 0.50 0.00 H ATOM 1957 HG2AARG A 122 27.331 21.101 14.498 0.50 0.00 H ATOM 1958 HG2BARG A 122 28.071 20.146 17.357 0.50 0.00 H ATOM 1959 HD3AARG A 122 27.600 23.949 15.481 0.50 0.00 H ATOM 1960 HD3BARG A 122 28.869 22.454 18.701 0.50 0.00 H ATOM 1961 HD2AARG A 122 27.459 23.622 13.746 0.50 0.00 H ATOM 1962 HD2BARG A 122 27.552 21.367 19.222 0.50 0.00 H ATOM 1963 HE AARG A 122 29.777 23.320 13.999 0.50 0.00 H ATOM 1964 HE BARG A 122 26.631 23.204 17.251 0.50 0.00 H ATOM 1965 HH12AARG A 122 29.935 21.314 17.389 0.50 0.00 H ATOM 1966 HH12BARG A 122 25.759 24.014 21.051 0.50 0.00 H ATOM 1967 HH11AARG A 122 29.058 22.809 17.155 0.50 0.00 H ATOM 1968 HH11BARG A 122 26.232 22.416 20.519 0.50 0.00 H ATOM 1969 HH22AARG A 122 30.724 20.158 15.536 0.50 0.00 H ATOM 1970 HH22BARG A 122 25.947 25.810 19.611 0.50 0.00 H ATOM 1971 HH21AARG A 122 30.433 20.794 13.933 0.50 0.00 H ATOM 1972 HH21BARG A 122 26.564 25.563 17.993 0.50 0.00 H ATOM 1973 N GLN A 123 24.047 20.371 15.095 1.00 26.01 N ATOM 1974 CA GLN A 123 22.995 20.582 14.121 1.00 28.19 C ATOM 1975 C GLN A 123 21.676 20.993 14.728 1.00 24.96 C ATOM 1976 O GLN A 123 20.892 21.751 14.172 1.00 26.43 O ATOM 1977 CB GLN A 123 22.800 19.339 13.215 1.00 33.36 C ATOM 1978 CG GLN A 123 22.096 18.179 13.899 1.00 45.52 C ATOM 1979 CD GLN A 123 22.122 16.888 13.113 1.00 48.33 C ATOM 1980 OE1 GLN A 123 22.654 15.854 13.556 1.00 50.12 O ATOM 1981 NE2 GLN A 123 21.457 16.882 11.959 1.00 61.45 N ATOM 1982 H GLN A 123 24.528 19.483 15.082 1.00 0.00 H ATOM 1983 HA GLN A 123 23.317 21.399 13.476 1.00 0.00 H ATOM 1984 HB3 GLN A 123 23.770 19.006 12.845 1.00 0.00 H ATOM 1985 HB2 GLN A 123 22.242 19.625 12.324 1.00 0.00 H ATOM 1986 HG3 GLN A 123 21.062 18.455 14.106 1.00 0.00 H ATOM 1987 HG2 GLN A 123 22.542 18.014 14.880 1.00 0.00 H ATOM 1988 HE22 GLN A 123 21.439 16.047 11.391 1.00 0.00 H ATOM 1989 HE21 GLN A 123 20.971 17.712 11.652 1.00 0.00 H ATOM 1990 N TYR A 124 21.392 20.453 15.914 1.00 21.23 N ATOM 1991 CA TYR A 124 20.128 20.668 16.556 1.00 20.57 C ATOM 1992 C TYR A 124 19.838 22.083 16.972 1.00 17.27 C ATOM 1993 O TYR A 124 18.682 22.504 17.083 1.00 19.70 O ATOM 1994 CB TYR A 124 19.866 19.675 17.698 1.00 20.32 C ATOM 1995 CG TYR A 124 19.956 18.240 17.252 1.00 17.15 C ATOM 1996 CD1 TYR A 124 18.931 17.651 16.526 1.00 23.75 C ATOM 1997 CD2 TYR A 124 21.052 17.469 17.525 1.00 19.77 C ATOM 1998 CE1 TYR A 124 19.014 16.340 16.128 1.00 24.75 C ATOM 1999 CE2 TYR A 124 21.154 16.156 17.104 1.00 21.05 C ATOM 2000 CZ TYR A 124 20.139 15.600 16.380 1.00 20.92 C ATOM 2001 OH TYR A 124 20.208 14.293 15.960 1.00 25.52 O ATOM 2002 H TYR A 124 22.076 19.876 16.383 1.00 0.00 H ATOM 2003 HA TYR A 124 19.380 20.435 15.798 1.00 0.00 H ATOM 2004 HB3 TYR A 124 18.879 19.862 18.121 1.00 0.00 H ATOM 2005 HB2 TYR A 124 20.581 19.850 18.502 1.00 0.00 H ATOM 2006 HD1 TYR A 124 18.054 18.225 16.267 1.00 0.00 H ATOM 2007 HD2 TYR A 124 21.876 17.882 18.087 1.00 0.00 H ATOM 2008 HE1 TYR A 124 18.186 15.880 15.609 1.00 0.00 H ATOM 2009 HE2 TYR A 124 22.033 15.577 17.348 1.00 0.00 H ATOM 2010 HH TYR A 124 21.072 13.933 16.173 1.00 0.00 H ATOM 2011 N VAL A 125 20.875 22.903 17.184 1.00 19.87 N ATOM 2012 CA VAL A 125 20.653 24.286 17.603 1.00 19.04 C ATOM 2013 C VAL A 125 21.089 25.301 16.589 1.00 21.10 C ATOM 2014 O VAL A 125 20.972 26.505 16.789 1.00 21.37 O ATOM 2015 CB VAL A 125 21.334 24.602 18.940 1.00 21.60 C ATOM 2016 CG1 VAL A 125 20.711 23.783 20.063 1.00 23.75 C ATOM 2017 CG2 VAL A 125 22.843 24.340 18.834 1.00 24.99 C ATOM 2018 H VAL A 125 21.819 22.567 17.055 1.00 0.00 H ATOM 2019 HA VAL A 125 19.580 24.413 17.748 1.00 0.00 H ATOM 2020 HB VAL A 125 21.183 25.659 19.161 1.00 0.00 H ATOM 2021 HG11 VAL A 125 21.207 24.020 21.004 1.00 0.00 H ATOM 2022 HG12 VAL A 125 19.650 24.021 20.141 1.00 0.00 H ATOM 2023 HG13 VAL A 125 20.830 22.721 19.848 1.00 0.00 H ATOM 2024 HG21 VAL A 125 23.320 24.567 19.788 1.00 0.00 H ATOM 2025 HG22 VAL A 125 23.014 23.293 18.583 1.00 0.00 H ATOM 2026 HG23 VAL A 125 23.269 24.974 18.056 1.00 0.00 H ATOM 2027 N GLN A 126 21.670 24.853 15.477 1.00 23.38 N ATOM 2028 CA GLN A 126 22.168 25.843 14.522 1.00 29.06 C ATOM 2029 C GLN A 126 21.097 26.730 13.956 1.00 27.13 C ATOM 2030 O GLN A 126 20.009 26.269 13.571 1.00 27.14 O ATOM 2031 CB AGLN A 126 22.930 25.109 13.409 0.50 31.28 C ATOM 2032 CB BGLN A 126 23.035 25.188 13.469 0.50 31.69 C ATOM 2033 CG AGLN A 126 22.032 24.320 12.467 0.50 33.72 C ATOM 2034 CG BGLN A 126 23.789 23.971 13.941 0.50 37.39 C ATOM 2035 CD AGLN A 126 22.551 24.371 11.034 0.50 47.22 C ATOM 2036 CD BGLN A 126 25.043 24.263 14.723 0.50 38.76 C ATOM 2037 OE1AGLN A 126 22.999 23.359 10.498 0.50 45.69 O ATOM 2038 OE1BGLN A 126 25.125 25.190 15.519 0.50 38.51 O ATOM 2039 NE2AGLN A 126 22.499 25.549 10.433 0.50 49.55 N ATOM 2040 NE2BGLN A 126 26.059 23.415 14.517 0.50 43.64 N ATOM 2041 H GLN A 126 21.755 23.859 15.316 1.00 0.00 H ATOM 2042 HA GLN A 126 22.881 26.479 15.047 1.00 0.00 H ATOM 2043 HB3AGLN A 126 23.664 24.438 13.855 0.50 0.00 H ATOM 2044 HB3BGLN A 126 23.741 25.920 13.076 0.50 0.00 H ATOM 2045 HB2AGLN A 126 23.513 25.829 12.834 0.50 0.00 H ATOM 2046 HB2BGLN A 126 22.419 24.920 12.610 0.50 0.00 H ATOM 2047 HG3AGLN A 126 21.022 24.728 12.502 0.50 0.00 H ATOM 2048 HG3BGLN A 126 24.036 23.345 13.084 0.50 0.00 H ATOM 2049 HG2AGLN A 126 21.981 23.283 12.798 0.50 0.00 H ATOM 2050 HG2BGLN A 126 23.127 23.347 14.541 0.50 0.00 H ATOM 2051 HE22AGLN A 126 22.828 25.646 9.483 0.50 0.00 H ATOM 2052 HE22BGLN A 126 26.933 23.546 15.006 0.50 0.00 H ATOM 2053 HE21AGLN A 126 22.130 26.351 10.924 0.50 0.00 H ATOM 2054 HE21BGLN A 126 25.951 22.645 13.873 0.50 0.00 H ATOM 2055 N GLY A 127 21.345 28.025 13.895 1.00 25.06 N ATOM 2056 CA GLY A 127 20.435 28.999 13.360 1.00 25.33 C ATOM 2057 C GLY A 127 19.323 29.437 14.270 1.00 23.89 C ATOM 2058 O GLY A 127 18.416 30.207 13.897 1.00 25.63 O ATOM 2059 H GLY A 127 22.223 28.388 14.238 1.00 0.00 H ATOM 2060 HA3 GLY A 127 20.011 28.621 12.430 1.00 0.00 H ATOM 2061 HA2 GLY A 127 20.997 29.874 13.032 1.00 0.00 H ATOM 2062 N CYS A 128 19.300 28.961 15.517 1.00 20.90 N ATOM 2063 CA CYS A 128 18.232 29.252 16.417 1.00 20.37 C ATOM 2064 C CYS A 128 18.392 30.491 17.276 1.00 21.95 C ATOM 2065 O CYS A 128 17.399 30.854 17.942 1.00 24.45 O ATOM 2066 CB CYS A 128 17.930 28.058 17.339 1.00 18.95 C ATOM 2067 SG CYS A 128 17.486 26.553 16.474 1.00 17.57 S ATOM 2068 H CYS A 128 20.054 28.376 15.848 1.00 0.00 H ATOM 2069 HA CYS A 128 17.343 29.408 15.806 1.00 0.00 H ATOM 2070 HB3 CYS A 128 17.130 28.328 18.029 1.00 0.00 H ATOM 2071 HB2 CYS A 128 18.793 27.867 17.977 1.00 0.00 H ATOM 2072 N GLY A 129 19.543 31.136 17.299 1.00 27.29 N ATOM 2073 CA GLY A 129 19.745 32.333 18.100 1.00 29.29 C ATOM 2074 C GLY A 129 20.031 32.063 19.557 1.00 28.62 C ATOM 2075 O GLY A 129 19.735 32.888 20.422 1.00 38.50 O ATOM 2076 H GLY A 129 20.321 30.801 16.748 1.00 0.00 H ATOM 2077 HA3 GLY A 129 18.868 32.975 18.017 1.00 0.00 H ATOM 2078 HA2 GLY A 129 20.560 32.919 17.675 1.00 0.00 H ATOM 2079 N VAL A 130 20.550 30.871 19.875 1.00 24.90 N ATOM 2080 CA VAL A 130 20.820 30.483 21.233 1.00 25.27 C ATOM 2081 C VAL A 130 22.283 30.274 21.545 1.00 33.46 C ATOM 2082 O VAL A 130 22.600 29.911 22.668 1.00 31.44 O ATOM 2083 CB VAL A 130 20.077 29.191 21.625 1.00 25.35 C ATOM 2084 CG1 VAL A 130 18.586 29.378 21.607 1.00 27.59 C ATOM 2085 CG2 VAL A 130 20.529 28.039 20.711 1.00 26.59 C ATOM 2086 OXT VAL A 130 22.912 30.451 20.615 1.00 47.97 O1- ATOM 2087 H VAL A 130 20.767 30.205 19.148 1.00 0.00 H ATOM 2088 HA VAL A 130 20.457 31.281 21.881 1.00 0.00 H ATOM 2089 HB VAL A 130 20.367 28.938 22.645 1.00 0.00 H ATOM 2090 HG11 VAL A 130 18.099 28.445 21.889 1.00 0.00 H ATOM 2091 HG12 VAL A 130 18.309 30.160 22.314 1.00 0.00 H ATOM 2092 HG13 VAL A 130 18.267 29.665 20.605 1.00 0.00 H ATOM 2093 HG21 VAL A 130 20.003 27.126 20.989 1.00 0.00 H ATOM 2094 HG22 VAL A 130 20.302 28.287 19.674 1.00 0.00 H ATOM 2095 HG23 VAL A 130 21.603 27.887 20.821 1.00 0.00 H CONECT 105 2067 CONECT 521 1843 CONECT 1081 1288 CONECT 1231 1482 CONECT 1288 1081 CONECT 1482 1231 CONECT 1843 521 CONECT 2067 105 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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