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*** HYDROLASE 05-JAN-98 1JSF ***elNémo ID: 2407240938541062747Job options:ID = 2407240938541062747 JOBID = HYDROLASE 05-JAN-98 1JSF USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER HYDROLASE 05-JAN-98 1JSF REMARK 4 1JSF COMPLIES WITH FORMAT V. 3.30, REMARK 888 REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) TITLE FULL-MATRIX LEAST-SQUARES REFINEMENT OF HUMAN LYSOZYME EXPDTA X-RAY DIFFRACTION REMARK 2 RESOLUTION. 1.15 ANGSTROMS REMARK 3 R VALUE : 0.112000 REMARK 3 FREE R VALUE : 0.157000 REMARK 200 TEMPERATURE (KELVIN) : 285.00 REMARK 200 PH : 4.50 REMARK 350 BIOMOLECULE: 1 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 CRYST1 57.050 60.960 32.960 90.00 90.00 90.00 P 21 21 21 4 MODEL 1 ATOM 1 N LYS A 1 1.396 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 ARG A 14 13.380 30.947 28.326 1.00 15.74 C ATOM 238 CG ARG A 14 13.528 32.142 27.389 1.00 21.21 C ATOM 239 CD ARG A 14 12.169 32.848 27.270 1.00 28.16 C ATOM 240 NE ARG A 14 11.142 31.958 26.823 1.00 30.61 N ATOM 241 CZ ARG A 14 10.890 31.694 25.536 1.00 30.91 C ATOM 242 NH1 ARG A 14 11.558 32.316 24.584 1.00 32.12 N ATOM 243 NH2 ARG A 14 9.986 30.766 25.270 1.00 31.46 N1+ ATOM 244 H ARG A 14 14.927 29.447 27.080 1.00 0.00 H ATOM 245 HA ARG A 14 15.371 31.426 29.101 1.00 0.00 H ATOM 246 HB3 ARG A 14 12.700 31.204 29.138 1.00 0.00 H ATOM 247 HB2 ARG A 14 12.958 30.105 27.777 1.00 0.00 H ATOM 248 HG3 ARG A 14 13.844 31.795 26.405 1.00 0.00 H ATOM 249 HG2 ARG A 14 14.263 32.835 27.798 1.00 0.00 H ATOM 250 HD3 ARG A 14 12.254 33.683 26.574 1.00 0.00 H ATOM 251 HD2 ARG A 14 11.891 33.265 28.238 1.00 0.00 H ATOM 252 HE ARG A 14 10.591 31.518 27.546 1.00 0.00 H ATOM 253 HH12 ARG A 14 11.363 32.112 23.614 1.00 0.00 H ATOM 254 HH11 ARG A 14 12.265 32.996 24.825 1.00 0.00 H ATOM 255 HH22 ARG A 14 9.766 30.536 24.312 1.00 0.00 H ATOM 256 HH21 ARG A 14 9.516 30.288 26.025 1.00 0.00 H ATOM 257 N LEU A 15 14.266 28.504 30.138 1.00 11.41 N ATOM 258 CA LEU A 15 13.989 27.679 31.290 1.00 11.71 C ATOM 259 C LEU A 15 15.226 27.171 31.999 1.00 12.33 C ATOM 260 O LEU A 15 15.131 26.442 32.984 1.00 15.00 O ATOM 261 CB LEU A 15 13.025 26.541 30.887 1.00 13.70 C ATOM 262 CG LEU A 15 11.605 26.947 30.585 1.00 15.21 C ATOM 263 CD1 LEU A 15 10.796 25.790 29.978 1.00 16.24 C ATOM 264 CD2 LEU A 15 10.881 27.458 31.822 1.00 20.49 C ATOM 265 H LEU A 15 14.306 28.050 29.237 1.00 0.00 H ATOM 266 HA LEU A 15 13.454 28.306 32.003 1.00 0.00 H ATOM 267 HB3 LEU A 15 13.023 25.779 31.666 1.00 0.00 H ATOM 268 HB2 LEU A 15 13.436 26.008 30.030 1.00 0.00 H ATOM 269 HG LEU A 15 11.635 27.756 29.855 1.00 0.00 H ATOM 270 HD11 LEU A 15 9.779 26.124 29.775 1.00 0.00 H ATOM 271 HD12 LEU A 15 11.264 25.467 29.048 1.00 0.00 H ATOM 272 HD13 LEU A 15 10.771 24.956 30.680 1.00 0.00 H ATOM 273 HD21 LEU A 15 9.862 27.739 31.557 1.00 0.00 H ATOM 274 HD22 LEU A 15 10.856 26.674 32.579 1.00 0.00 H ATOM 275 HD23 LEU A 15 11.406 28.328 32.217 1.00 0.00 H ATOM 276 N GLY A 16 16.399 27.649 31.597 1.00 12.66 N ATOM 277 CA GLY A 16 17.628 27.374 32.314 1.00 13.48 C ATOM 278 C GLY A 16 18.306 26.080 32.043 1.00 12.84 C ATOM 279 O GLY A 16 19.156 25.631 32.807 1.00 15.76 O ATOM 280 H GLY A 16 16.453 28.223 30.768 1.00 0.00 H ATOM 281 HA3 GLY A 16 17.445 27.465 33.385 1.00 0.00 H ATOM 282 HA2 GLY A 16 18.331 28.189 32.144 1.00 0.00 H ATOM 283 N MET A 17 18.044 25.479 30.872 1.00 11.57 N ATOM 284 CA MET A 17 18.651 24.206 30.534 1.00 11.60 C ATOM 285 C MET A 17 20.050 24.281 29.984 1.00 11.86 C ATOM 286 O MET A 17 20.726 23.233 29.968 1.00 14.20 O ATOM 287 CB MET A 17 17.738 23.430 29.574 1.00 13.14 C ATOM 288 CG MET A 17 16.406 23.065 30.250 1.00 14.11 C ATOM 289 SD MET A 17 16.664 21.747 31.446 1.00 18.03 S ATOM 290 CE MET A 17 15.942 20.348 30.495 1.00 24.42 C ATOM 291 H MET A 17 17.416 25.913 30.211 1.00 0.00 H ATOM 292 HA MET A 17 18.705 23.627 31.456 1.00 0.00 H ATOM 293 HB3 MET A 17 18.242 22.519 29.250 1.00 0.00 H ATOM 294 HB2 MET A 17 17.542 24.037 28.690 1.00 0.00 H ATOM 295 HG3 MET A 17 15.694 22.735 29.494 1.00 0.00 H ATOM 296 HG2 MET A 17 16.004 23.942 30.757 1.00 0.00 H ATOM 297 HE1 MET A 17 16.013 19.433 31.083 1.00 0.00 H ATOM 298 HE2 MET A 17 14.895 20.559 30.276 1.00 0.00 H ATOM 299 HE3 MET A 17 16.490 20.222 29.561 1.00 0.00 H ATOM 300 N ASP A 18 20.483 25.396 29.441 1.00 12.93 N ATOM 301 CA ASP A 18 21.804 25.450 28.804 1.00 14.41 C ATOM 302 C ASP A 18 22.879 25.342 29.841 1.00 14.70 C ATOM 303 O ASP A 18 23.110 26.255 30.622 1.00 17.65 O ATOM 304 CB ASP A 18 21.964 26.663 27.906 1.00 16.44 C ATOM 305 CG ASP A 18 23.170 26.601 27.001 1.00 19.56 C ATOM 306 OD1 ASP A 18 23.715 25.487 26.698 1.00 20.72 O ATOM 307 OD2 ASP A 18 23.627 27.648 26.572 1.00 29.13 O1- ATOM 308 H ASP A 18 19.906 26.224 29.460 1.00 0.00 H ATOM 309 HA ASP A 18 21.887 24.569 28.167 1.00 0.00 H ATOM 310 HB3 ASP A 18 22.018 27.562 28.520 1.00 0.00 H ATOM 311 HB2 ASP A 18 21.065 26.787 27.302 1.00 0.00 H ATOM 312 N GLY A 19 23.628 24.224 29.839 1.00 12.95 N ATOM 313 CA GLY A 19 24.682 24.003 30.776 1.00 15.05 C ATOM 314 C GLY A 19 24.239 23.464 32.103 1.00 12.69 C ATOM 315 O GLY A 19 25.062 23.346 33.026 1.00 15.26 O ATOM 316 H GLY A 19 23.454 23.501 29.156 1.00 0.00 H ATOM 317 HA3 GLY A 19 25.230 24.933 30.929 1.00 0.00 H ATOM 318 HA2 GLY A 19 25.417 23.327 30.339 1.00 0.00 H ATOM 319 N TYR A 20 22.952 23.094 32.229 1.00 13.11 N ATOM 320 CA TYR A 20 22.485 22.564 33.527 1.00 11.95 C ATOM 321 C TYR A 20 23.182 21.231 33.806 1.00 11.72 C ATOM 322 O TYR A 20 23.115 20.329 32.972 1.00 12.45 O ATOM 323 CB TYR A 20 20.955 22.340 33.453 1.00 12.49 C ATOM 324 CG TYR A 20 20.418 22.015 34.828 1.00 12.45 C ATOM 325 CD1 TYR A 20 20.105 23.006 35.723 1.00 15.37 C ATOM 326 CD2 TYR A 20 20.250 20.707 35.236 1.00 12.41 C ATOM 327 CE1 TYR A 20 19.621 22.714 36.994 1.00 16.89 C ATOM 328 CE2 TYR A 20 19.817 20.404 36.499 1.00 13.65 C ATOM 329 CZ TYR A 20 19.507 21.407 37.390 1.00 15.67 C ATOM 330 OH TYR A 20 19.060 21.105 38.655 1.00 20.08 O ATOM 331 H TYR A 20 22.322 23.181 31.444 1.00 0.00 H ATOM 332 HA TYR A 20 22.716 23.275 34.321 1.00 0.00 H ATOM 333 HB3 TYR A 20 20.741 21.514 32.775 1.00 0.00 H ATOM 334 HB2 TYR A 20 20.473 23.244 33.079 1.00 0.00 H ATOM 335 HD1 TYR A 20 20.233 24.042 35.447 1.00 0.00 H ATOM 336 HD2 TYR A 20 20.461 19.897 34.554 1.00 0.00 H ATOM 337 HE1 TYR A 20 19.338 23.515 37.661 1.00 0.00 H ATOM 338 HE2 TYR A 20 19.717 19.372 36.802 1.00 0.00 H ATOM 339 HH TYR A 20 18.821 21.915 39.112 1.00 0.00 H ATOM 340 N ARG A 21 23.859 21.134 34.935 1.00 13.06 N ATOM 341 CA ARG A 21 24.642 19.961 35.288 1.00 14.28 C ATOM 342 C ARG A 21 25.599 19.563 34.193 1.00 13.33 C ATOM 343 O ARG A 21 25.925 18.410 33.963 1.00 14.35 O ATOM 344 CB ARG A 21 23.740 18.801 35.734 1.00 16.78 C ATOM 345 CG ARG A 21 23.088 19.059 37.086 1.00 25.30 C ATOM 346 CD ARG A 21 23.859 18.352 38.197 1.00 33.61 C ATOM 347 NE ARG A 21 23.752 16.877 37.976 1.00 56.79 N ATOM 348 CZ ARG A 21 24.705 16.032 38.328 1.00 61.31 C ATOM 349 NH1 ARG A 21 25.569 16.384 39.274 1.00 60.56 N ATOM 350 NH2 ARG A 21 24.793 14.837 37.728 1.00 45.90 N1+ ATOM 351 H ARG A 21 23.847 21.896 35.598 1.00 0.00 H ATOM 352 HA ARG A 21 25.249 20.236 36.151 1.00 0.00 H ATOM 353 HB3 ARG A 21 24.327 17.884 35.784 1.00 0.00 H ATOM 354 HB2 ARG A 21 22.966 18.635 34.984 1.00 0.00 H ATOM 355 HG3 ARG A 21 22.061 18.695 37.069 1.00 0.00 H ATOM 356 HG2 ARG A 21 23.070 20.131 37.282 1.00 0.00 H ATOM 357 HD3 ARG A 21 23.421 18.607 39.162 1.00 0.00 H ATOM 358 HD2 ARG A 21 24.907 18.650 38.158 1.00 0.00 H ATOM 359 HE ARG A 21 22.909 16.534 37.538 1.00 0.00 H ATOM 360 HH12 ARG A 21 26.302 15.746 39.551 1.00 0.00 H ATOM 361 HH11 ARG A 21 25.493 17.289 39.716 1.00 0.00 H ATOM 362 HH22 ARG A 21 25.521 14.190 37.996 1.00 0.00 H ATOM 363 HH21 ARG A 21 24.132 14.583 37.008 1.00 0.00 H ATOM 364 N GLY A 22 26.128 20.591 33.491 1.00 12.43 N ATOM 365 CA GLY A 22 27.087 20.385 32.451 1.00 12.76 C ATOM 366 C GLY A 22 26.586 19.993 31.093 1.00 11.21 C ATOM 367 O GLY A 22 27.408 19.711 30.218 1.00 12.81 O ATOM 368 H GLY A 22 25.847 21.539 33.695 1.00 0.00 H ATOM 369 HA3 GLY A 22 27.823 19.654 32.784 1.00 0.00 H ATOM 370 HA2 GLY A 22 27.710 21.275 32.358 1.00 0.00 H ATOM 371 N ILE A 23 25.285 19.999 30.871 1.00 11.07 N ATOM 372 CA ILE A 23 24.650 19.514 29.659 1.00 11.77 C ATOM 373 C ILE A 23 24.285 20.670 28.748 1.00 10.74 C ATOM 374 O ILE A 23 23.453 21.531 29.081 1.00 12.48 O ATOM 375 CB ILE A 23 23.369 18.707 30.003 1.00 10.86 C ATOM 376 CG1 ILE A 23 23.694 17.562 30.989 1.00 12.80 C ATOM 377 CG2 ILE A 23 22.722 18.193 28.739 1.00 13.41 C ATOM 378 CD1 ILE A 23 22.419 16.978 31.643 1.00 14.46 C ATOM 379 H ILE A 23 24.655 20.360 31.573 1.00 0.00 H ATOM 380 HA ILE A 23 25.347 18.860 29.135 1.00 0.00 H ATOM 381 HB ILE A 23 22.666 19.382 30.491 1.00 0.00 H ATOM 382 HG13 ILE A 23 24.363 17.932 31.766 1.00 0.00 H ATOM 383 HG12 ILE A 23 24.226 16.770 30.462 1.00 0.00 H ATOM 384 HG21 ILE A 23 21.825 17.629 28.993 1.00 0.00 H ATOM 385 HG22 ILE A 23 22.453 19.034 28.100 1.00 0.00 H ATOM 386 HG23 ILE A 23 23.421 17.545 28.210 1.00 0.00 H ATOM 387 HD11 ILE A 23 22.696 16.177 32.328 1.00 0.00 H ATOM 388 HD12 ILE A 23 21.900 17.763 32.194 1.00 0.00 H ATOM 389 HD13 ILE A 23 21.761 16.583 30.869 1.00 0.00 H ATOM 390 N SER A 24 24.861 20.689 27.568 1.00 11.50 N ATOM 391 CA SER A 24 24.601 21.751 26.621 1.00 11.97 C ATOM 392 C SER A 24 23.203 21.666 26.049 1.00 11.84 C ATOM 393 O SER A 24 22.545 20.588 25.983 1.00 11.40 O ATOM 394 CB SER A 24 25.584 21.659 25.438 1.00 12.92 C ATOM 395 OG SER A 24 25.323 20.496 24.691 1.00 13.62 O ATOM 396 H SER A 24 25.500 19.952 27.306 1.00 0.00 H ATOM 397 HA SER A 24 24.727 22.713 27.118 1.00 0.00 H ATOM 398 HB3 SER A 24 26.606 21.626 25.817 1.00 0.00 H ATOM 399 HB2 SER A 24 25.467 22.535 24.799 1.00 0.00 H ATOM 400 HG SER A 24 25.788 20.543 23.852 1.00 0.00 H ATOM 401 N LEU A 25 22.710 22.782 25.568 1.00 12.17 N ATOM 402 CA LEU A 25 21.399 22.830 24.949 1.00 12.23 C ATOM 403 C LEU A 25 21.276 21.848 23.790 1.00 12.01 C ATOM 404 O LEU A 25 20.219 21.221 23.637 1.00 12.74 O ATOM 405 CB LEU A 25 21.144 24.277 24.521 1.00 14.96 C ATOM 406 CG LEU A 25 19.776 24.629 24.053 1.00 13.26 C ATOM 407 CD1 LEU A 25 18.708 24.285 25.059 1.00 18.00 C ATOM 408 CD2 LEU A 25 19.713 26.119 23.664 1.00 15.14 C ATOM 409 H LEU A 25 23.246 23.636 25.624 1.00 0.00 H ATOM 410 HA LEU A 25 20.657 22.562 25.702 1.00 0.00 H ATOM 411 HB3 LEU A 25 21.867 24.556 23.754 1.00 0.00 H ATOM 412 HB2 LEU A 25 21.427 24.945 25.334 1.00 0.00 H ATOM 413 HG LEU A 25 19.578 24.047 23.153 1.00 0.00 H ATOM 414 HD11 LEU A 25 17.732 24.564 24.663 1.00 0.00 H ATOM 415 HD12 LEU A 25 18.726 23.213 25.257 1.00 0.00 H ATOM 416 HD13 LEU A 25 18.893 24.828 25.986 1.00 0.00 H ATOM 417 HD21 LEU A 25 18.707 26.364 23.323 1.00 0.00 H ATOM 418 HD22 LEU A 25 19.962 26.732 24.530 1.00 0.00 H ATOM 419 HD23 LEU A 25 20.425 26.316 22.863 1.00 0.00 H ATOM 420 N ALA A 26 22.330 21.709 23.002 1.00 11.62 N ATOM 421 CA ALA A 26 22.285 20.816 21.828 1.00 12.16 C ATOM 422 C ALA A 26 22.019 19.384 22.294 1.00 12.03 C ATOM 423 O ALA A 26 21.354 18.630 21.597 1.00 12.52 O ATOM 424 CB ALA A 26 23.548 20.901 21.007 1.00 14.36 C ATOM 425 H ALA A 26 23.180 22.218 23.201 1.00 0.00 H ATOM 426 HA ALA A 26 21.451 21.127 21.199 1.00 0.00 H ATOM 427 HB1 ALA A 26 23.473 20.228 20.153 1.00 0.00 H ATOM 428 HB2 ALA A 26 23.684 21.923 20.653 1.00 0.00 H ATOM 429 HB3 ALA A 26 24.401 20.614 21.621 1.00 0.00 H ATOM 430 N ASN A 27 22.594 19.000 23.433 1.00 11.30 N ATOM 431 CA ASN A 27 22.364 17.645 23.968 1.00 11.72 C ATOM 432 C ASN A 27 20.916 17.455 24.406 1.00 11.31 C ATOM 433 O ASN A 27 20.321 16.409 24.137 1.00 12.02 O ATOM 434 CB ASN A 27 23.358 17.343 25.057 1.00 11.67 C ATOM 435 CG ASN A 27 24.659 16.758 24.507 1.00 12.91 C ATOM 436 OD1 ASN A 27 24.658 15.703 23.905 1.00 15.81 O ATOM 437 ND2 ASN A 27 25.726 17.487 24.735 1.00 15.94 N ATOM 438 H ASN A 27 23.193 19.639 23.937 1.00 0.00 H ATOM 439 HA ASN A 27 22.551 16.942 23.157 1.00 0.00 H ATOM 440 HB3 ASN A 27 22.917 16.643 25.766 1.00 0.00 H ATOM 441 HB2 ASN A 27 23.577 18.256 25.611 1.00 0.00 H ATOM 442 HD22 ASN A 27 26.629 17.176 24.407 1.00 0.00 H ATOM 443 HD21 ASN A 27 25.644 18.359 25.239 1.00 0.00 H ATOM 444 N TRP A 28 20.317 18.465 25.020 1.00 10.26 N ATOM 445 CA TRP A 28 18.914 18.410 25.379 1.00 10.77 C ATOM 446 C TRP A 28 18.021 18.339 24.139 1.00 11.26 C ATOM 447 O TRP A 28 17.013 17.619 24.140 1.00 11.17 O ATOM 448 CB TRP A 28 18.490 19.581 26.215 1.00 10.49 C ATOM 449 CG TRP A 28 19.015 19.640 27.607 1.00 10.02 C ATOM 450 CD1 TRP A 28 19.898 20.585 28.115 1.00 12.17 C ATOM 451 CD2 TRP A 28 18.692 18.799 28.705 1.00 10.69 C ATOM 452 NE1 TRP A 28 20.104 20.360 29.440 1.00 12.53 N ATOM 453 CE2 TRP A 28 19.378 19.278 29.852 1.00 11.35 C ATOM 454 CE3 TRP A 28 17.841 17.700 28.828 1.00 12.47 C ATOM 455 CZ2 TRP A 28 19.244 18.656 31.070 1.00 13.34 C ATOM 456 CZ3 TRP A 28 17.701 17.101 30.049 1.00 14.07 C ATOM 457 CH2 TRP A 28 18.396 17.587 31.155 1.00 14.86 C ATOM 458 H TRP A 28 20.840 19.298 25.249 1.00 0.00 H ATOM 459 HA TRP A 28 18.752 17.504 25.963 1.00 0.00 H ATOM 460 HB3 TRP A 28 17.401 19.628 26.240 1.00 0.00 H ATOM 461 HB2 TRP A 28 18.747 20.504 25.695 1.00 0.00 H ATOM 462 HD1 TRP A 28 20.305 21.347 27.467 1.00 0.00 H ATOM 463 HE1 TRP A 28 20.724 20.961 29.964 1.00 0.00 H ATOM 464 HE3 TRP A 28 17.304 17.334 27.966 1.00 0.00 H ATOM 465 HZ2 TRP A 28 19.800 19.015 31.924 1.00 0.00 H ATOM 466 HZ3 TRP A 28 17.049 16.247 30.160 1.00 0.00 H ATOM 467 HH2 TRP A 28 18.247 17.090 32.102 1.00 0.00 H ATOM 468 N MET A 29 18.378 19.077 23.099 1.00 10.67 N ATOM 469 CA MET A 29 17.629 19.053 21.849 1.00 10.61 C ATOM 470 C MET A 29 17.704 17.677 21.197 1.00 11.13 C ATOM 471 O MET A 29 16.693 17.162 20.709 1.00 11.94 O ATOM 472 CB MET A 29 18.119 20.125 20.912 1.00 11.54 C ATOM 473 CG MET A 29 17.793 21.552 21.320 1.00 12.10 C ATOM 474 SD MET A 29 16.044 21.919 21.253 1.00 14.40 S ATOM 475 CE MET A 29 15.774 21.743 19.482 1.00 17.16 C ATOM 476 H MET A 29 19.188 19.677 23.160 1.00 0.00 H ATOM 477 HA MET A 29 16.584 19.260 22.079 1.00 0.00 H ATOM 478 HB3 MET A 29 17.725 19.937 19.913 1.00 0.00 H ATOM 479 HB2 MET A 29 19.197 20.025 20.782 1.00 0.00 H ATOM 480 HG3 MET A 29 18.333 22.245 20.675 1.00 0.00 H ATOM 481 HG2 MET A 29 18.163 21.733 22.329 1.00 0.00 H ATOM 482 HE1 MET A 29 14.726 21.938 19.253 1.00 0.00 H ATOM 483 HE2 MET A 29 16.401 22.455 18.946 1.00 0.00 H ATOM 484 HE3 MET A 29 16.031 20.729 19.174 1.00 0.00 H ATOM 485 N CYS A 30 18.905 17.088 21.188 1.00 11.31 N ATOM 486 CA CYS A 30 19.059 15.756 20.596 1.00 11.47 C ATOM 487 C CYS A 30 18.210 14.760 21.372 1.00 12.45 C ATOM 488 O CYS A 30 17.528 13.948 20.763 1.00 12.88 O ATOM 489 CB CYS A 30 20.534 15.375 20.616 1.00 12.22 C ATOM 490 SG CYS A 30 20.905 13.819 19.777 1.00 13.65 S ATOM 491 H CYS A 30 19.702 17.561 21.588 1.00 0.00 H ATOM 492 HA CYS A 30 18.715 15.786 19.562 1.00 0.00 H ATOM 493 HB3 CYS A 30 20.879 15.320 21.648 1.00 0.00 H ATOM 494 HB2 CYS A 30 21.120 16.177 20.167 1.00 0.00 H ATOM 495 N LEU A 31 18.163 14.867 22.682 1.00 11.57 N ATOM 496 CA LEU A 31 17.315 13.996 23.506 1.00 12.27 C ATOM 497 C LEU A 31 15.845 14.119 23.126 1.00 11.08 C ATOM 498 O LEU A 31 15.130 13.145 22.869 1.00 12.30 O ATOM 499 CB LEU A 31 17.517 14.324 24.975 1.00 13.03 C ATOM 500 CG LEU A 31 16.648 13.518 25.963 1.00 12.69 C ATOM 501 CD1 LEU A 31 17.018 12.071 25.969 1.00 15.53 C ATOM 502 CD2 LEU A 31 16.673 14.158 27.341 1.00 16.22 C ATOM 503 H LEU A 31 18.722 15.565 23.152 1.00 0.00 H ATOM 504 HA LEU A 31 17.625 12.964 23.341 1.00 0.00 H ATOM 505 HB3 LEU A 31 17.348 15.389 25.133 1.00 0.00 H ATOM 506 HB2 LEU A 31 18.568 14.194 25.232 1.00 0.00 H ATOM 507 HG LEU A 31 15.621 13.580 25.604 1.00 0.00 H ATOM 508 HD11 LEU A 31 16.384 11.536 26.677 1.00 0.00 H ATOM 509 HD12 LEU A 31 16.878 11.656 24.971 1.00 0.00 H ATOM 510 HD13 LEU A 31 18.062 11.964 26.264 1.00 0.00 H ATOM 511 HD21 LEU A 31 16.055 13.576 28.024 1.00 0.00 H ATOM 512 HD22 LEU A 31 17.698 14.184 27.712 1.00 0.00 H ATOM 513 HD23 LEU A 31 16.285 15.174 27.277 1.00 0.00 H ATOM 514 N ALA A 32 15.341 15.359 23.084 1.00 11.51 N ATOM 515 CA ALA A 32 13.945 15.580 22.790 1.00 11.12 C ATOM 516 C ALA A 32 13.589 15.112 21.387 1.00 11.09 C ATOM 517 O ALA A 32 12.496 14.555 21.170 1.00 13.12 O ATOM 518 CB ALA A 32 13.587 17.056 22.965 1.00 12.81 C ATOM 519 H ALA A 32 15.939 16.154 23.259 1.00 0.00 H ATOM 520 HA ALA A 32 13.354 15.002 23.500 1.00 0.00 H ATOM 521 HB1 ALA A 32 12.531 17.204 22.739 1.00 0.00 H ATOM 522 HB2 ALA A 32 13.784 17.359 23.993 1.00 0.00 H ATOM 523 HB3 ALA A 32 14.191 17.660 22.287 1.00 0.00 H ATOM 524 N LYS A 33 14.467 15.342 20.432 1.00 10.96 N ATOM 525 CA LYS A 33 14.200 14.939 19.054 1.00 12.88 C ATOM 526 C LYS A 33 13.941 13.432 18.989 1.00 12.92 C ATOM 527 O LYS A 33 12.985 12.977 18.421 1.00 14.54 O ATOM 528 CB LYS A 33 15.400 15.308 18.131 1.00 14.78 C ATOM 529 CG LYS A 33 14.968 15.206 16.633 1.00 24.35 C ATOM 530 CD LYS A 33 15.364 13.972 15.980 1.00 31.88 C ATOM 531 CE LYS A 33 14.741 13.739 14.601 1.00 43.51 C ATOM 532 NZ LYS A 33 14.426 15.036 13.927 1.00 44.62 N1+ ATOM 533 H LYS A 33 15.339 15.803 20.648 1.00 0.00 H ATOM 534 HA LYS A 33 13.312 15.463 18.701 1.00 0.00 H ATOM 535 HB3 LYS A 33 16.226 14.622 18.318 1.00 0.00 H ATOM 536 HB2 LYS A 33 15.724 16.326 18.347 1.00 0.00 H ATOM 537 HG3 LYS A 33 15.375 16.053 16.081 1.00 0.00 H ATOM 538 HG2 LYS A 33 13.887 15.322 16.560 1.00 0.00 H ATOM 539 HD3 LYS A 33 15.128 13.129 16.629 1.00 0.00 H ATOM 540 HD2 LYS A 33 16.450 13.942 15.895 1.00 0.00 H ATOM 541 HE3 LYS A 33 13.827 13.155 14.710 1.00 0.00 H ATOM 542 HE2 LYS A 33 15.433 13.167 13.982 1.00 0.00 H ATOM 543 HZ1 LYS A 33 13.582 15.425 14.323 1.00 0.00 H ATOM 544 HZ2 LYS A 33 15.191 15.682 14.064 1.00 0.00 H ATOM 545 HZ3 LYS A 33 14.292 14.878 12.938 1.00 0.00 H ATOM 546 N TRP A 34 14.879 12.666 19.560 1.00 12.70 N ATOM 547 CA TRP A 34 14.788 11.225 19.449 1.00 13.46 C ATOM 548 C TRP A 34 13.802 10.596 20.365 1.00 13.18 C ATOM 549 O TRP A 34 13.317 9.481 20.088 1.00 18.23 O ATOM 550 CB TRP A 34 16.172 10.584 19.464 1.00 14.44 C ATOM 551 CG TRP A 34 16.954 11.032 18.252 1.00 13.70 C ATOM 552 CD1 TRP A 34 17.973 11.930 18.214 1.00 14.63 C ATOM 553 CD2 TRP A 34 16.685 10.657 16.901 1.00 16.12 C ATOM 554 NE1 TRP A 34 18.382 12.118 16.934 1.00 17.71 N ATOM 555 CE2 TRP A 34 17.619 11.344 16.089 1.00 16.71 C ATOM 556 CE3 TRP A 34 15.783 9.776 16.292 1.00 17.51 C ATOM 557 CZ2 TRP A 34 17.675 11.208 14.719 1.00 23.07 C ATOM 558 CZ3 TRP A 34 15.837 9.651 14.906 1.00 23.60 C ATOM 559 CH2 TRP A 34 16.751 10.345 14.140 1.00 24.86 C ATOM 560 H TRP A 34 15.643 13.094 20.064 1.00 0.00 H ATOM 561 HA TRP A 34 14.401 11.042 18.447 1.00 0.00 H ATOM 562 HB3 TRP A 34 16.070 9.499 19.449 1.00 0.00 H ATOM 563 HB2 TRP A 34 16.701 10.884 20.369 1.00 0.00 H ATOM 564 HD1 TRP A 34 18.335 12.375 19.129 1.00 0.00 H ATOM 565 HE1 TRP A 34 19.142 12.753 16.735 1.00 0.00 H ATOM 566 HE3 TRP A 34 15.078 9.222 16.895 1.00 0.00 H ATOM 567 HZ2 TRP A 34 18.411 11.758 14.151 1.00 0.00 H ATOM 568 HZ3 TRP A 34 15.149 8.994 14.396 1.00 0.00 H ATOM 569 HH2 TRP A 34 16.739 10.207 13.069 1.00 0.00 H ATOM 570 N GLU A 35 13.471 11.221 21.488 1.00 12.38 N ATOM 571 CA GLU A 35 12.479 10.646 22.385 1.00 13.11 C ATOM 572 C GLU A 35 11.060 10.828 21.880 1.00 13.40 C ATOM 573 O GLU A 35 10.262 9.902 21.956 1.00 14.31 O ATOM 574 CB GLU A 35 12.595 11.280 23.791 1.00 13.51 C ATOM 575 CG GLU A 35 13.817 10.822 24.565 1.00 13.78 C ATOM 576 CD GLU A 35 13.815 9.353 24.967 1.00 15.30 C ATOM 577 OE1 GLU A 35 12.820 8.666 24.771 1.00 17.48 O ATOM 578 OE2 GLU A 35 14.889 8.904 25.474 1.00 19.70 O1- ATOM 579 H GLU A 35 13.908 12.100 21.724 1.00 0.00 H ATOM 580 HA GLU A 35 12.676 9.578 22.474 1.00 0.00 H ATOM 581 HB3 GLU A 35 11.697 11.053 24.365 1.00 0.00 H ATOM 582 HB2 GLU A 35 12.612 12.366 23.698 1.00 0.00 H ATOM 583 HG3 GLU A 35 13.932 11.439 25.456 1.00 0.00 H ATOM 584 HG2 GLU A 35 14.713 11.035 23.983 1.00 0.00 H ATOM 585 N SER A 36 10.733 12.028 21.378 1.00 13.52 N ATOM 586 CA SER A 36 9.358 12.389 21.070 1.00 13.25 C ATOM 587 C SER A 36 9.132 13.121 19.778 1.00 13.07 C ATOM 588 O SER A 36 7.969 13.426 19.434 1.00 15.89 O ATOM 589 CB SER A 36 8.817 13.269 22.217 1.00 13.02 C ATOM 590 OG SER A 36 9.468 14.521 22.182 1.00 13.33 O ATOM 591 H SER A 36 11.452 12.715 21.202 1.00 0.00 H ATOM 592 HA SER A 36 8.768 11.473 21.044 1.00 0.00 H ATOM 593 HB3 SER A 36 9.016 12.783 23.172 1.00 0.00 H ATOM 594 HB2 SER A 36 7.744 13.414 22.089 1.00 0.00 H ATOM 595 HG SER A 36 10.147 14.548 22.860 1.00 0.00 H ATOM 596 N GLY A 37 10.165 13.482 19.060 1.00 14.49 N ATOM 597 CA GLY A 37 9.981 14.356 17.880 1.00 14.62 C ATOM 598 C GLY A 37 9.443 15.715 18.268 1.00 12.70 C ATOM 599 O GLY A 37 8.732 16.379 17.513 1.00 16.12 O ATOM 600 H GLY A 37 11.090 13.164 19.311 1.00 0.00 H ATOM 601 HA3 GLY A 37 9.294 13.880 17.180 1.00 0.00 H ATOM 602 HA2 GLY A 37 10.935 14.477 17.366 1.00 0.00 H ATOM 603 N TYR A 38 9.807 16.178 19.475 1.00 12.50 N ATOM 604 CA TYR A 38 9.408 17.471 19.976 1.00 12.41 C ATOM 605 C TYR A 38 7.935 17.584 20.274 1.00 12.36 C ATOM 606 O TYR A 38 7.348 18.680 20.241 1.00 15.84 O ATOM 607 CB TYR A 38 9.853 18.614 19.064 1.00 13.48 C ATOM 608 CG TYR A 38 11.281 18.626 18.580 1.00 12.71 C ATOM 609 CD1 TYR A 38 12.360 18.378 19.402 1.00 13.92 C ATOM 610 CD2 TYR A 38 11.559 18.981 17.243 1.00 15.27 C ATOM 611 CE1 TYR A 38 13.654 18.412 18.955 1.00 14.18 C ATOM 612 CE2 TYR A 38 12.861 19.046 16.797 1.00 16.12 C ATOM 613 CZ TYR A 38 13.912 18.754 17.634 1.00 14.45 C ATOM 614 OH TYR A 38 15.231 18.799 17.205 1.00 16.66 O ATOM 615 H TYR A 38 10.387 15.613 20.079 1.00 0.00 H ATOM 616 HA TYR A 38 9.928 17.610 20.924 1.00 0.00 H ATOM 617 HB3 TYR A 38 9.633 19.565 19.550 1.00 0.00 H ATOM 618 HB2 TYR A 38 9.185 18.666 18.205 1.00 0.00 H ATOM 619 HD1 TYR A 38 12.202 18.145 20.445 1.00 0.00 H ATOM 620 HD2 TYR A 38 10.749 19.203 16.564 1.00 0.00 H ATOM 621 HE1 TYR A 38 14.464 18.174 19.628 1.00 0.00 H ATOM 622 HE2 TYR A 38 13.068 19.330 15.776 1.00 0.00 H ATOM 623 HH TYR A 38 15.803 18.449 17.891 1.00 0.00 H ATOM 624 N ASN A 39 7.306 16.465 20.659 1.00 13.71 N ATOM 625 CA ASN A 39 5.879 16.359 20.885 1.00 13.00 C ATOM 626 C ASN A 39 5.551 16.131 22.346 1.00 12.31 C ATOM 627 O ASN A 39 5.908 15.115 22.912 1.00 13.82 O ATOM 628 CB ASN A 39 5.368 15.166 20.057 1.00 14.34 C ATOM 629 CG ASN A 39 3.885 14.906 20.192 1.00 15.85 C ATOM 630 OD1 ASN A 39 3.123 15.704 20.753 1.00 15.88 O ATOM 631 ND2 ASN A 39 3.464 13.758 19.662 1.00 20.01 N ATOM 632 H ASN A 39 7.833 15.617 20.812 1.00 0.00 H ATOM 633 HA ASN A 39 5.390 17.271 20.543 1.00 0.00 H ATOM 634 HB3 ASN A 39 5.919 14.269 20.338 1.00 0.00 H ATOM 635 HB2 ASN A 39 5.613 15.324 19.007 1.00 0.00 H ATOM 636 HD22 ASN A 39 2.487 13.508 19.710 1.00 0.00 H ATOM 637 HD21 ASN A 39 4.122 13.138 19.213 1.00 0.00 H ATOM 638 N THR A 40 4.861 17.102 22.952 1.00 11.81 N ATOM 639 CA THR A 40 4.480 17.062 24.330 1.00 12.68 C ATOM 640 C THR A 40 3.464 15.998 24.676 1.00 12.56 C ATOM 641 O THR A 40 3.341 15.671 25.857 1.00 15.38 O ATOM 642 CB THR A 40 4.053 18.413 24.887 1.00 13.66 C ATOM 643 OG1 THR A 40 2.833 18.798 24.300 1.00 14.74 O ATOM 644 CG2 THR A 40 5.052 19.505 24.682 1.00 15.36 C ATOM 645 H THR A 40 4.580 17.921 22.433 1.00 0.00 H ATOM 646 HA THR A 40 5.384 16.792 24.876 1.00 0.00 H ATOM 647 HB THR A 40 3.891 18.300 25.959 1.00 0.00 H ATOM 648 HG1 THR A 40 2.274 19.211 24.963 1.00 0.00 H ATOM 649 HG21 THR A 40 4.670 20.433 25.108 1.00 0.00 H ATOM 650 HG22 THR A 40 5.988 19.239 25.173 1.00 0.00 H ATOM 651 HG23 THR A 40 5.228 19.641 23.615 1.00 0.00 H ATOM 652 N ARG A 41 2.683 15.527 23.715 1.00 13.38 N ATOM 653 CA ARG A 41 1.611 14.570 23.940 1.00 16.46 C ATOM 654 C ARG A 41 2.084 13.133 23.804 1.00 15.27 C ATOM 655 O ARG A 41 1.300 12.234 24.012 1.00 19.49 O ATOM 656 CB ARG A 41 0.556 14.805 22.790 1.00 17.28 C ATOM 657 CG ARG A 41 -0.861 14.547 23.181 1.00 34.08 C ATOM 658 CD ARG A 41 -1.802 14.622 21.969 1.00 39.13 C ATOM 659 NE ARG A 41 -2.546 13.373 21.811 1.00 41.14 N ATOM 660 CZ ARG A 41 -3.514 12.949 22.600 1.00 39.71 C ATOM 661 NH1 ARG A 41 -4.337 13.805 23.213 1.00 40.71 N ATOM 662 NH2 ARG A 41 -3.707 11.645 22.786 1.00 42.79 N1+ ATOM 663 H ARG A 41 2.816 15.832 22.761 1.00 0.00 H ATOM 664 HA ARG A 41 1.154 14.731 24.916 1.00 0.00 H ATOM 665 HB3 ARG A 41 0.813 14.183 21.932 1.00 0.00 H ATOM 666 HB2 ARG A 41 0.648 15.826 22.419 1.00 0.00 H ATOM 667 HG3 ARG A 41 -1.171 15.279 23.927 1.00 0.00 H ATOM 668 HG2 ARG A 41 -0.937 13.561 23.639 1.00 0.00 H ATOM 669 HD3 ARG A 41 -1.219 14.814 21.068 1.00 0.00 H ATOM 670 HD2 ARG A 41 -2.502 15.447 22.103 1.00 0.00 H ATOM 671 HE ARG A 41 -2.262 12.818 21.017 1.00 0.00 H ATOM 672 HH12 ARG A 41 -5.072 13.458 23.813 1.00 0.00 H ATOM 673 HH11 ARG A 41 -4.225 14.799 23.076 1.00 0.00 H ATOM 674 HH22 ARG A 41 -4.450 11.326 23.391 1.00 0.00 H ATOM 675 HH21 ARG A 41 -3.111 10.975 22.322 1.00 0.00 H ATOM 676 N ALA A 42 3.337 12.897 23.473 1.00 15.38 N ATOM 677 CA ALA A 42 3.870 11.573 23.236 1.00 15.24 C ATOM 678 C ALA A 42 3.753 10.690 24.460 1.00 14.57 C ATOM 679 O ALA A 42 4.086 11.112 25.565 1.00 14.15 O ATOM 680 CB ALA A 42 5.323 11.637 22.776 1.00 19.09 C ATOM 681 H ALA A 42 3.986 13.664 23.372 1.00 0.00 H ATOM 682 HA ALA A 42 3.286 11.116 22.437 1.00 0.00 H ATOM 683 HB1 ALA A 42 5.696 10.627 22.606 1.00 0.00 H ATOM 684 HB2 ALA A 42 5.387 12.208 21.850 1.00 0.00 H ATOM 685 HB3 ALA A 42 5.927 12.122 23.543 1.00 0.00 H ATOM 686 N THR A 43 3.260 9.480 24.271 1.00 16.63 N ATOM 687 CA THR A 43 3.241 8.517 25.361 1.00 16.63 C ATOM 688 C THR A 43 3.667 7.153 24.770 1.00 17.66 C ATOM 689 O THR A 43 3.342 6.827 23.645 1.00 23.52 O ATOM 690 CB THR A 43 1.854 8.327 25.975 1.00 21.44 C ATOM 691 OG1 THR A 43 0.986 7.905 24.925 1.00 28.38 O ATOM 692 CG2 THR A 43 1.343 9.615 26.592 1.00 24.72 C ATOM 693 H THR A 43 2.894 9.219 23.366 1.00 0.00 H ATOM 694 HA THR A 43 3.948 8.821 26.133 1.00 0.00 H ATOM 695 HB THR A 43 1.900 7.552 26.740 1.00 0.00 H ATOM 696 HG1 THR A 43 1.308 7.080 24.555 1.00 0.00 H ATOM 697 HG21 THR A 43 0.355 9.446 27.020 1.00 0.00 H ATOM 698 HG22 THR A 43 2.027 9.939 27.376 1.00 0.00 H ATOM 699 HG23 THR A 43 1.279 10.386 25.824 1.00 0.00 H ATOM 700 N ASN A 44 4.331 6.372 25.593 1.00 17.38 N ATOM 701 CA ASN A 44 4.755 5.019 25.135 1.00 17.36 C ATOM 702 C ASN A 44 4.576 4.064 26.314 1.00 16.77 C ATOM 703 O ASN A 44 5.152 4.263 27.386 1.00 16.39 O ATOM 704 CB ASN A 44 6.241 5.082 24.738 1.00 21.27 C ATOM 705 CG ASN A 44 6.834 3.751 24.383 1.00 33.34 C ATOM 706 OD1 ASN A 44 6.286 3.059 23.529 1.00 40.32 O ATOM 707 ND2 ASN A 44 7.952 3.388 25.019 1.00 43.32 N ATOM 708 H ASN A 44 4.549 6.691 26.526 1.00 0.00 H ATOM 709 HA ASN A 44 4.148 4.696 24.289 1.00 0.00 H ATOM 710 HB3 ASN A 44 6.814 5.528 25.551 1.00 0.00 H ATOM 711 HB2 ASN A 44 6.362 5.767 23.899 1.00 0.00 H ATOM 712 HD22 ASN A 44 8.386 2.500 24.811 1.00 0.00 H ATOM 713 HD21 ASN A 44 8.363 4.002 25.708 1.00 0.00 H ATOM 714 N TYR A 45 3.732 3.057 26.152 1.00 20.06 N ATOM 715 CA TYR A 45 3.513 2.063 27.172 1.00 19.26 C ATOM 716 C TYR A 45 4.540 0.925 27.028 1.00 18.33 C ATOM 717 O TYR A 45 4.715 0.435 25.928 1.00 21.79 O ATOM 718 CB TYR A 45 2.111 1.506 27.097 1.00 21.83 C ATOM 719 CG TYR A 45 1.801 0.453 28.123 1.00 20.44 C ATOM 720 CD1 TYR A 45 1.838 0.725 29.479 1.00 22.19 C ATOM 721 CD2 TYR A 45 1.462 -0.847 27.706 1.00 22.96 C ATOM 722 CE1 TYR A 45 1.572 -0.260 30.409 1.00 21.20 C ATOM 723 CE2 TYR A 45 1.190 -1.816 28.661 1.00 22.77 C ATOM 724 CZ TYR A 45 1.222 -1.521 29.974 1.00 22.00 C ATOM 725 OH TYR A 45 0.960 -2.513 30.936 1.00 25.95 O ATOM 726 H TYR A 45 3.214 2.966 25.290 1.00 0.00 H ATOM 727 HA TYR A 45 3.648 2.531 28.147 1.00 0.00 H ATOM 728 HB3 TYR A 45 1.936 1.101 26.100 1.00 0.00 H ATOM 729 HB2 TYR A 45 1.393 2.321 27.188 1.00 0.00 H ATOM 730 HD1 TYR A 45 2.078 1.720 29.824 1.00 0.00 H ATOM 731 HD2 TYR A 45 1.416 -1.081 26.653 1.00 0.00 H ATOM 732 HE1 TYR A 45 1.639 -0.039 31.464 1.00 0.00 H ATOM 733 HE2 TYR A 45 0.948 -2.823 28.355 1.00 0.00 H ATOM 734 HH TYR A 45 1.328 -2.245 31.781 1.00 0.00 H ATOM 735 N ASN A 46 5.173 0.578 28.130 1.00 17.53 N ATOM 736 CA ASN A 46 6.145 -0.535 28.156 1.00 18.07 C ATOM 737 C ASN A 46 5.452 -1.751 28.797 1.00 16.83 C ATOM 738 O ASN A 46 5.302 -1.863 30.007 1.00 18.09 O ATOM 739 CB ASN A 46 7.347 -0.113 29.017 1.00 19.02 C ATOM 740 CG ASN A 46 8.032 1.113 28.448 1.00 21.80 C ATOM 741 OD1 ASN A 46 8.568 1.111 27.341 1.00 27.14 O ATOM 742 ND2 ASN A 46 7.965 2.246 29.159 1.00 24.42 N ATOM 743 H ASN A 46 5.000 1.078 28.991 1.00 0.00 H ATOM 744 HA ASN A 46 6.471 -0.776 27.144 1.00 0.00 H ATOM 745 HB3 ASN A 46 8.061 -0.935 29.071 1.00 0.00 H ATOM 746 HB2 ASN A 46 7.010 0.098 30.032 1.00 0.00 H ATOM 747 HD22 ASN A 46 8.409 3.085 28.814 1.00 0.00 H ATOM 748 HD21 ASN A 46 7.471 2.261 30.040 1.00 0.00 H ATOM 749 N ALA A 47 4.949 -2.613 27.932 1.00 19.59 N ATOM 750 CA ALA A 47 4.180 -3.787 28.341 1.00 23.80 C ATOM 751 C ALA A 47 4.984 -4.675 29.243 1.00 22.64 C ATOM 752 O ALA A 47 4.428 -5.361 30.130 1.00 24.61 O ATOM 753 CB ALA A 47 3.767 -4.553 27.068 1.00 27.76 C ATOM 754 H ALA A 47 5.089 -2.475 26.941 1.00 0.00 H ATOM 755 HA ALA A 47 3.283 -3.461 28.868 1.00 0.00 H ATOM 756 HB1 ALA A 47 3.191 -5.436 27.345 1.00 0.00 H ATOM 757 HB2 ALA A 47 3.159 -3.906 26.436 1.00 0.00 H ATOM 758 HB3 ALA A 47 4.659 -4.859 26.522 1.00 0.00 H ATOM 759 N GLY A 48 6.291 -4.728 29.062 1.00 19.99 N ATOM 760 CA GLY A 48 7.121 -5.614 29.881 1.00 22.07 C ATOM 761 C GLY A 48 7.117 -5.302 31.337 1.00 19.81 C ATOM 762 O GLY A 48 7.070 -6.214 32.178 1.00 24.08 O ATOM 763 H GLY A 48 6.726 -4.154 28.354 1.00 0.00 H ATOM 764 HA3 GLY A 48 8.146 -5.593 29.510 1.00 0.00 H ATOM 765 HA2 GLY A 48 6.803 -6.646 29.732 1.00 0.00 H ATOM 766 N ASP A 49 7.207 -4.043 31.723 1.00 18.77 N ATOM 767 CA ASP A 49 7.294 -3.688 33.131 1.00 20.35 C ATOM 768 C ASP A 49 6.151 -2.839 33.617 1.00 17.80 C ATOM 769 O ASP A 49 6.133 -2.428 34.786 1.00 21.18 O ATOM 770 CB ASP A 49 8.646 -3.074 33.418 1.00 20.26 C ATOM 771 CG ASP A 49 8.837 -1.660 32.995 1.00 24.33 C ATOM 772 OD1 ASP A 49 7.959 -1.090 32.347 1.00 19.65 O ATOM 773 OD2 ASP A 49 9.836 -1.022 33.431 1.00 32.10 O1- ATOM 774 H ASP A 49 7.216 -3.303 31.035 1.00 0.00 H ATOM 775 HA ASP A 49 7.250 -4.622 33.692 1.00 0.00 H ATOM 776 HB3 ASP A 49 9.423 -3.691 32.968 1.00 0.00 H ATOM 777 HB2 ASP A 49 8.862 -3.162 34.483 1.00 0.00 H ATOM 778 N ARG A 50 5.158 -2.599 32.763 1.00 19.86 N ATOM 779 CA ARG A 50 3.939 -1.915 33.099 1.00 19.68 C ATOM 780 C ARG A 50 4.094 -0.457 33.384 1.00 18.06 C ATOM 781 O ARG A 50 3.206 0.202 33.985 1.00 22.50 O ATOM 782 CB ARG A 50 3.200 -2.645 34.216 1.00 26.39 C ATOM 783 CG ARG A 50 2.550 -3.939 33.724 1.00 33.44 C ATOM 784 CD ARG A 50 1.911 -4.700 34.872 1.00 35.73 C ATOM 785 NE ARG A 50 2.591 -5.971 35.054 1.00 39.51 N ATOM 786 CZ ARG A 50 2.175 -6.978 35.778 1.00 35.58 C ATOM 787 NH1 ARG A 50 0.873 -7.269 35.801 1.00 54.84 N ATOM 788 NH2 ARG A 50 3.065 -7.729 36.399 1.00 33.65 N1+ ATOM 789 H ARG A 50 5.232 -2.905 31.803 1.00 0.00 H ATOM 790 HA ARG A 50 3.301 -1.985 32.218 1.00 0.00 H ATOM 791 HB3 ARG A 50 2.434 -1.990 34.632 1.00 0.00 H ATOM 792 HB2 ARG A 50 3.897 -2.873 35.023 1.00 0.00 H ATOM 793 HG3 ARG A 50 3.304 -4.566 33.248 1.00 0.00 H ATOM 794 HG2 ARG A 50 1.791 -3.703 32.978 1.00 0.00 H ATOM 795 HD3 ARG A 50 0.860 -4.880 34.648 1.00 0.00 H ATOM 796 HD2 ARG A 50 1.990 -4.112 35.786 1.00 0.00 H ATOM 797 HE ARG A 50 3.466 -6.036 34.553 1.00 0.00 H ATOM 798 HH12 ARG A 50 0.538 -8.044 36.356 1.00 0.00 H ATOM 799 HH11 ARG A 50 0.222 -6.714 35.264 1.00 0.00 H ATOM 800 HH22 ARG A 50 2.761 -8.511 36.962 1.00 0.00 H ATOM 801 HH21 ARG A 50 4.050 -7.522 36.311 1.00 0.00 H ATOM 802 N SER A 51 5.152 0.137 32.914 1.00 16.75 N ATOM 803 CA SER A 51 5.374 1.603 33.083 1.00 15.62 C ATOM 804 C SER A 51 5.096 2.291 31.750 1.00 15.04 C ATOM 805 O SER A 51 5.018 1.698 30.714 1.00 16.06 O ATOM 806 CB SER A 51 6.841 1.812 33.449 1.00 14.40 C ATOM 807 OG SER A 51 7.714 1.576 32.374 1.00 15.71 O ATOM 808 H SER A 51 5.852 -0.396 32.418 1.00 0.00 H ATOM 809 HA SER A 51 4.724 2.001 33.862 1.00 0.00 H ATOM 810 HB3 SER A 51 7.104 1.157 34.279 1.00 0.00 H ATOM 811 HB2 SER A 51 6.982 2.830 33.813 1.00 0.00 H ATOM 812 HG SER A 51 7.864 0.632 32.284 1.00 0.00 H ATOM 813 N THR A 52 4.907 3.628 31.862 1.00 13.80 N ATOM 814 CA THR A 52 4.643 4.431 30.672 1.00 11.94 C ATOM 815 C THR A 52 5.639 5.601 30.639 1.00 12.46 C ATOM 816 O THR A 52 5.975 6.164 31.724 1.00 13.36 O ATOM 817 CB THR A 52 3.205 4.970 30.719 1.00 13.80 C ATOM 818 OG1 THR A 52 2.307 3.822 30.750 1.00 15.81 O ATOM 819 CG2 THR A 52 2.836 5.825 29.550 1.00 13.89 C ATOM 820 H THR A 52 4.949 4.070 32.769 1.00 0.00 H ATOM 821 HA THR A 52 4.773 3.816 29.781 1.00 0.00 H ATOM 822 HB THR A 52 3.073 5.547 31.634 1.00 0.00 H ATOM 823 HG1 THR A 52 2.741 3.087 31.189 1.00 0.00 H ATOM 824 HG21 THR A 52 1.806 6.165 29.659 1.00 0.00 H ATOM 825 HG22 THR A 52 3.501 6.688 29.506 1.00 0.00 H ATOM 826 HG23 THR A 52 2.932 5.246 28.631 1.00 0.00 H ATOM 827 N ASP A 53 6.075 5.980 29.482 1.00 12.43 N ATOM 828 CA ASP A 53 6.934 7.155 29.274 1.00 12.59 C ATOM 829 C ASP A 53 6.054 8.312 28.761 1.00 12.09 C ATOM 830 O ASP A 53 5.254 8.120 27.856 1.00 13.31 O ATOM 831 CB ASP A 53 8.006 6.834 28.245 1.00 14.50 C ATOM 832 CG ASP A 53 8.861 5.652 28.634 1.00 17.20 C ATOM 833 OD1 ASP A 53 9.299 5.611 29.781 1.00 20.85 O ATOM 834 OD2 ASP A 53 9.062 4.770 27.774 1.00 22.38 O1- ATOM 835 H ASP A 53 5.828 5.458 28.653 1.00 0.00 H ATOM 836 HA ASP A 53 7.402 7.439 30.216 1.00 0.00 H ATOM 837 HB3 ASP A 53 8.641 7.708 28.099 1.00 0.00 H ATOM 838 HB2 ASP A 53 7.536 6.639 27.281 1.00 0.00 H ATOM 839 N TYR A 54 6.236 9.474 29.392 1.00 12.07 N ATOM 840 CA TYR A 54 5.360 10.611 29.098 1.00 11.10 C ATOM 841 C TYR A 54 6.095 11.849 28.597 1.00 11.14 C ATOM 842 O TYR A 54 7.088 12.286 29.178 1.00 11.73 O ATOM 843 CB TYR A 54 4.643 11.029 30.411 1.00 13.10 C ATOM 844 CG TYR A 54 3.632 10.025 30.910 1.00 11.22 C ATOM 845 CD1 TYR A 54 3.982 9.008 31.772 1.00 13.36 C ATOM 846 CD2 TYR A 54 2.288 10.169 30.587 1.00 13.72 C ATOM 847 CE1 TYR A 54 3.022 8.129 32.253 1.00 12.26 C ATOM 848 CE2 TYR A 54 1.353 9.248 31.031 1.00 13.52 C ATOM 849 CZ TYR A 54 1.723 8.275 31.899 1.00 12.36 C ATOM 850 OH TYR A 54 0.739 7.393 32.371 1.00 13.90 O ATOM 851 H TYR A 54 6.977 9.569 30.072 1.00 0.00 H ATOM 852 HA TYR A 54 4.615 10.311 28.361 1.00 0.00 H ATOM 853 HB3 TYR A 54 4.154 11.992 30.265 1.00 0.00 H ATOM 854 HB2 TYR A 54 5.387 11.209 31.187 1.00 0.00 H ATOM 855 HD1 TYR A 54 5.011 8.890 32.079 1.00 0.00 H ATOM 856 HD2 TYR A 54 1.964 11.005 29.985 1.00 0.00 H ATOM 857 HE1 TYR A 54 3.309 7.324 32.913 1.00 0.00 H ATOM 858 HE2 TYR A 54 0.331 9.306 30.685 1.00 0.00 H ATOM 859 HH TYR A 54 1.112 6.833 33.056 1.00 0.00 H ATOM 860 N GLY A 55 5.509 12.446 27.561 1.00 12.01 N ATOM 861 CA GLY A 55 5.848 13.785 27.127 1.00 11.22 C ATOM 862 C GLY A 55 7.084 13.913 26.306 1.00 11.31 C ATOM 863 O GLY A 55 7.644 12.978 25.750 1.00 11.64 O ATOM 864 H GLY A 55 4.792 11.963 27.039 1.00 0.00 H ATOM 865 HA3 GLY A 55 5.926 14.436 27.998 1.00 0.00 H ATOM 866 HA2 GLY A 55 5.007 14.209 26.579 1.00 0.00 H ATOM 867 N ILE A 56 7.539 15.185 26.216 1.00 11.13 N ATOM 868 CA ILE A 56 8.581 15.546 25.294 1.00 11.06 C ATOM 869 C ILE A 56 9.899 14.887 25.555 1.00 10.21 C ATOM 870 O ILE A 56 10.688 14.614 24.618 1.00 12.58 O ATOM 871 CB ILE A 56 8.718 17.087 25.191 1.00 12.23 C ATOM 872 CG1 ILE A 56 9.460 17.541 23.947 1.00 12.28 C ATOM 873 CG2 ILE A 56 9.279 17.685 26.450 1.00 13.92 C ATOM 874 CD1 ILE A 56 9.256 19.016 23.599 1.00 18.90 C ATOM 875 H ILE A 56 7.145 15.905 26.805 1.00 0.00 H ATOM 876 HA ILE A 56 8.255 15.201 24.313 1.00 0.00 H ATOM 877 HB ILE A 56 7.704 17.475 25.097 1.00 0.00 H ATOM 878 HG13 ILE A 56 9.157 16.925 23.101 1.00 0.00 H ATOM 879 HG12 ILE A 56 10.525 17.343 24.069 1.00 0.00 H ATOM 880 HG21 ILE A 56 9.359 18.766 26.335 1.00 0.00 H ATOM 881 HG22 ILE A 56 8.619 17.457 27.287 1.00 0.00 H ATOM 882 HG23 ILE A 56 10.267 17.267 26.643 1.00 0.00 H ATOM 883 HD11 ILE A 56 9.820 19.259 22.698 1.00 0.00 H ATOM 884 HD12 ILE A 56 8.197 19.206 23.426 1.00 0.00 H ATOM 885 HD13 ILE A 56 9.606 19.636 24.424 1.00 0.00 H ATOM 886 N PHE A 57 10.194 14.578 26.826 1.00 10.80 N ATOM 887 CA PHE A 57 11.392 13.881 27.211 1.00 11.58 C ATOM 888 C PHE A 57 11.153 12.414 27.572 1.00 12.60 C ATOM 889 O PHE A 57 12.107 11.705 27.981 1.00 14.93 O ATOM 890 CB PHE A 57 12.050 14.560 28.421 1.00 13.21 C ATOM 891 CG PHE A 57 12.493 15.983 28.189 1.00 13.29 C ATOM 892 CD1 PHE A 57 13.406 16.296 27.217 1.00 15.83 C ATOM 893 CD2 PHE A 57 12.011 17.001 29.011 1.00 17.07 C ATOM 894 CE1 PHE A 57 13.802 17.586 27.020 1.00 21.11 C ATOM 895 CE2 PHE A 57 12.437 18.297 28.839 1.00 22.69 C ATOM 896 CZ PHE A 57 13.324 18.607 27.832 1.00 22.40 C ATOM 897 H PHE A 57 9.560 14.836 27.569 1.00 0.00 H ATOM 898 HA PHE A 57 12.092 13.918 26.376 1.00 0.00 H ATOM 899 HB3 PHE A 57 12.903 13.966 28.748 1.00 0.00 H ATOM 900 HB2 PHE A 57 11.365 14.529 29.268 1.00 0.00 H ATOM 901 HD1 PHE A 57 13.821 15.517 26.595 1.00 0.00 H ATOM 902 HD2 PHE A 57 11.298 16.774 29.790 1.00 0.00 H ATOM 903 HE1 PHE A 57 14.494 17.823 26.226 1.00 0.00 H ATOM 904 HE2 PHE A 57 12.076 19.076 29.495 1.00 0.00 H ATOM 905 HZ PHE A 57 13.649 19.624 27.668 1.00 0.00 H ATOM 906 N GLN A 58 9.949 11.934 27.405 1.00 11.15 N ATOM 907 CA GLN A 58 9.641 10.495 27.636 1.00 11.59 C ATOM 908 C GLN A 58 10.110 10.077 28.997 1.00 12.28 C ATOM 909 O GLN A 58 10.845 9.102 29.185 1.00 16.38 O ATOM 910 CB GLN A 58 10.172 9.645 26.519 1.00 12.66 C ATOM 911 CG GLN A 58 9.440 9.850 25.188 1.00 12.90 C ATOM 912 CD GLN A 58 8.038 9.280 25.220 1.00 13.93 C ATOM 913 OE1 GLN A 58 7.838 8.080 25.038 1.00 15.93 O ATOM 914 NE2 GLN A 58 7.070 10.112 25.509 1.00 13.81 N ATOM 915 H GLN A 58 9.199 12.543 27.112 1.00 0.00 H ATOM 916 HA GLN A 58 8.556 10.394 27.627 1.00 0.00 H ATOM 917 HB3 GLN A 58 10.115 8.595 26.805 1.00 0.00 H ATOM 918 HB2 GLN A 58 11.234 9.849 26.383 1.00 0.00 H ATOM 919 HG3 GLN A 58 10.006 9.376 24.386 1.00 0.00 H ATOM 920 HG2 GLN A 58 9.393 10.915 24.960 1.00 0.00 H ATOM 921 HE22 GLN A 58 6.115 9.784 25.544 1.00 0.00 H ATOM 922 HE21 GLN A 58 7.277 11.082 25.697 1.00 0.00 H ATOM 923 N ILE A 59 9.630 10.784 30.026 1.00 11.14 N ATOM 924 CA ILE A 59 9.972 10.499 31.409 1.00 12.69 C ATOM 925 C ILE A 59 9.100 9.381 31.948 1.00 11.92 C ATOM 926 O ILE A 59 7.878 9.355 31.733 1.00 12.81 O ATOM 927 CB ILE A 59 9.822 11.807 32.227 1.00 12.88 C ATOM 928 CG1 ILE A 59 10.977 12.787 31.806 1.00 16.58 C ATOM 929 CG2 ILE A 59 9.892 11.512 33.708 1.00 15.82 C ATOM 930 CD1 ILE A 59 10.767 14.197 32.249 1.00 20.06 C ATOM 931 H ILE A 59 9.000 11.555 29.859 1.00 0.00 H ATOM 932 HA ILE A 59 11.013 10.179 31.451 1.00 0.00 H ATOM 933 HB ILE A 59 8.860 12.266 31.997 1.00 0.00 H ATOM 934 HG13 ILE A 59 11.095 12.762 30.723 1.00 0.00 H ATOM 935 HG12 ILE A 59 11.924 12.421 32.202 1.00 0.00 H ATOM 936 HG21 ILE A 59 9.785 12.440 34.269 1.00 0.00 H ATOM 937 HG22 ILE A 59 9.088 10.828 33.981 1.00 0.00 H ATOM 938 HG23 ILE A 59 10.853 11.055 33.943 1.00 0.00 H ATOM 939 HD11 ILE A 59 11.606 14.810 31.920 1.00 0.00 H ATOM 940 HD12 ILE A 59 9.844 14.581 31.814 1.00 0.00 H ATOM 941 HD13 ILE A 59 10.697 14.230 33.336 1.00 0.00 H ATOM 942 N ASN A 60 9.748 8.405 32.578 1.00 13.13 N ATOM 943 CA ASN A 60 9.096 7.153 32.958 1.00 12.23 C ATOM 944 C ASN A 60 8.368 7.186 34.265 1.00 12.37 C ATOM 945 O ASN A 60 8.816 7.773 35.247 1.00 15.10 O ATOM 946 CB ASN A 60 10.197 6.057 32.944 1.00 14.92 C ATOM 947 CG ASN A 60 9.645 4.672 33.127 1.00 15.27 C ATOM 948 OD1 ASN A 60 9.650 4.123 34.223 1.00 18.11 O ATOM 949 ND2 ASN A 60 9.075 4.117 32.067 1.00 18.70 N ATOM 950 H ASN A 60 10.725 8.515 32.810 1.00 0.00 H ATOM 951 HA ASN A 60 8.372 6.906 32.181 1.00 0.00 H ATOM 952 HB3 ASN A 60 10.924 6.264 33.729 1.00 0.00 H ATOM 953 HB2 ASN A 60 10.746 6.107 32.003 1.00 0.00 H ATOM 954 HD22 ASN A 60 8.686 3.187 32.132 1.00 0.00 H ATOM 955 HD21 ASN A 60 9.029 4.624 31.195 1.00 0.00 H ATOM 956 N SER A 61 7.224 6.488 34.322 1.00 12.35 N ATOM 957 CA SER A 61 6.355 6.463 35.462 1.00 12.09 C ATOM 958 C SER A 61 6.755 5.505 36.545 1.00 13.49 C ATOM 959 O SER A 61 6.128 5.516 37.615 1.00 15.29 O ATOM 960 CB SER A 61 4.896 6.110 35.014 1.00 14.79 C ATOM 961 OG SER A 61 4.904 4.761 34.560 1.00 13.83 O ATOM 962 H SER A 61 6.929 5.936 33.529 1.00 0.00 H ATOM 963 HA SER A 61 6.339 7.465 35.892 1.00 0.00 H ATOM 964 HB3 SER A 61 4.599 6.766 34.196 1.00 0.00 H ATOM 965 HB2 SER A 61 4.223 6.202 35.866 1.00 0.00 H ATOM 966 HG SER A 61 4.124 4.308 34.888 1.00 0.00 H ATOM 967 N ARG A 62 7.800 4.703 36.380 1.00 15.46 N ATOM 968 CA ARG A 62 8.231 3.884 37.510 1.00 16.61 C ATOM 969 C ARG A 62 9.056 4.707 38.497 1.00 16.86 C ATOM 970 O ARG A 62 8.971 4.544 39.714 1.00 26.96 O ATOM 971 CB ARG A 62 9.018 2.669 37.051 1.00 19.91 C ATOM 972 CG ARG A 62 9.535 1.846 38.250 1.00 26.96 C ATOM 973 CD ARG A 62 9.706 0.415 37.830 1.00 41.99 C ATOM 974 NE ARG A 62 8.441 -0.349 38.023 1.00 38.78 N ATOM 975 CZ ARG A 62 7.824 -0.848 36.952 1.00 40.02 C ATOM 976 NH1 ARG A 62 8.407 -0.643 35.767 1.00 45.48 N ATOM 977 NH2 ARG A 62 6.838 -1.710 37.068 1.00 51.32 N1+ ATOM 978 H ARG A 62 8.276 4.670 35.490 1.00 0.00 H ATOM 979 HA ARG A 62 7.340 3.531 38.029 1.00 0.00 H ATOM 980 HB3 ARG A 62 9.862 2.992 36.442 1.00 0.00 H ATOM 981 HB2 ARG A 62 8.383 2.040 36.426 1.00 0.00 H ATOM 982 HG3 ARG A 62 8.814 1.901 39.066 1.00 0.00 H ATOM 983 HG2 ARG A 62 10.495 2.245 38.578 1.00 0.00 H ATOM 984 HD3 ARG A 62 10.500 -0.044 38.419 1.00 0.00 H ATOM 985 HD2 ARG A 62 9.996 0.377 36.780 1.00 0.00 H ATOM 986 HE ARG A 62 8.050 -0.492 38.943 1.00 0.00 H ATOM 987 HH12 ARG A 62 7.979 -1.001 34.925 1.00 0.00 H ATOM 988 HH11 ARG A 62 9.275 -0.130 35.713 1.00 0.00 H ATOM 989 HH22 ARG A 62 6.386 -2.074 36.242 1.00 0.00 H ATOM 990 HH21 ARG A 62 6.533 -2.008 37.984 1.00 0.00 H ATOM 991 N TYR A 63 9.936 5.563 37.960 1.00 17.34 N ATOM 992 CA TYR A 63 10.848 6.296 38.851 1.00 17.97 C ATOM 993 C TYR A 63 10.556 7.752 39.041 1.00 16.02 C ATOM 994 O TYR A 63 10.961 8.311 40.083 1.00 19.73 O ATOM 995 CB TYR A 63 12.265 6.192 38.188 1.00 25.58 C ATOM 996 CG TYR A 63 12.647 4.742 37.965 1.00 28.37 C ATOM 997 CD1 TYR A 63 12.970 3.955 39.072 1.00 32.48 C ATOM 998 CD2 TYR A 63 12.647 4.167 36.709 1.00 34.89 C ATOM 999 CE1 TYR A 63 13.317 2.629 38.919 1.00 37.71 C ATOM 1000 CE2 TYR A 63 12.991 2.820 36.551 1.00 35.23 C ATOM 1001 CZ TYR A 63 13.323 2.076 37.652 1.00 35.13 C ATOM 1002 OH TYR A 63 13.673 0.748 37.518 1.00 45.56 O ATOM 1003 H TYR A 63 9.965 5.696 36.959 1.00 0.00 H ATOM 1004 HA TYR A 63 10.870 5.805 39.824 1.00 0.00 H ATOM 1005 HB3 TYR A 63 13.004 6.667 38.834 1.00 0.00 H ATOM 1006 HB2 TYR A 63 12.258 6.717 37.233 1.00 0.00 H ATOM 1007 HD1 TYR A 63 12.950 4.383 40.063 1.00 0.00 H ATOM 1008 HD2 TYR A 63 12.381 4.757 35.845 1.00 0.00 H ATOM 1009 HE1 TYR A 63 13.580 2.036 39.783 1.00 0.00 H ATOM 1010 HE2 TYR A 63 12.993 2.375 35.567 1.00 0.00 H ATOM 1011 HH TYR A 63 14.084 0.610 36.662 1.00 0.00 H ATOM 1012 N ARG A 64 9.914 8.429 38.097 1.00 13.82 N ATOM 1013 CA ARG A 64 9.921 9.901 38.099 1.00 13.15 C ATOM 1014 C ARG A 64 8.596 10.559 38.321 1.00 11.80 C ATOM 1015 O ARG A 64 8.522 11.525 39.104 1.00 15.36 O ATOM 1016 CB ARG A 64 10.587 10.379 36.812 1.00 0.00 C ATOM 1017 CG ARG A 64 12.005 9.879 36.455 1.00 0.00 C ATOM 1018 CD ARG A 64 12.177 8.922 35.276 1.00 0.00 C ATOM 1019 NE ARG A 64 13.578 8.541 35.067 1.00 0.00 N ATOM 1020 CZ ARG A 64 14.451 9.224 34.305 1.00 0.00 C ATOM 1021 NH1 ARG A 64 14.048 10.313 33.615 1.00 0.00 N ATOM 1022 NH2 ARG A 64 15.725 8.788 34.241 1.00 0.00 N1+ ATOM 1023 H ARG A 64 9.416 7.934 37.371 1.00 0.00 H ATOM 1024 HA ARG A 64 10.567 10.211 38.920 1.00 0.00 H ATOM 1025 HB2 ARG A 64 9.977 10.087 35.957 1.00 0.00 H ATOM 1026 HB3 ARG A 64 10.684 11.465 36.834 1.00 0.00 H ATOM 1027 HG2 ARG A 64 12.640 10.730 36.211 1.00 0.00 H ATOM 1028 HG3 ARG A 64 12.426 9.343 37.306 1.00 0.00 H ATOM 1029 HD2 ARG A 64 11.604 8.013 35.458 1.00 0.00 H ATOM 1030 HD3 ARG A 64 11.818 9.400 34.364 1.00 0.00 H ATOM 1031 HE ARG A 64 13.873 7.702 35.546 1.00 0.00 H ATOM 1032 HH12 ARG A 64 14.708 10.822 33.044 1.00 0.00 H ATOM 1033 HH11 ARG A 64 13.087 10.619 33.670 1.00 0.00 H ATOM 1034 HH22 ARG A 64 16.401 9.282 33.676 1.00 0.00 H ATOM 1035 HH21 ARG A 64 16.004 7.967 34.759 1.00 0.00 H ATOM 1036 N CYS A 65 7.557 10.176 37.617 1.00 14.31 N ATOM 1037 CA CYS A 65 6.244 10.805 37.811 1.00 12.60 C ATOM 1038 C CYS A 65 5.245 9.712 38.213 1.00 14.32 C ATOM 1039 O CYS A 65 5.502 8.537 37.990 1.00 14.95 O ATOM 1040 CB CYS A 65 5.770 11.553 36.579 1.00 13.50 C ATOM 1041 SG CYS A 65 5.479 10.487 35.116 1.00 14.34 S ATOM 1042 H CYS A 65 7.655 9.440 36.932 1.00 0.00 H ATOM 1043 HA CYS A 65 6.323 11.516 38.634 1.00 0.00 H ATOM 1044 HB3 CYS A 65 6.495 12.326 36.324 1.00 0.00 H ATOM 1045 HB2 CYS A 65 4.856 12.098 36.816 1.00 0.00 H ATOM 1046 N ASN A 66 4.141 10.112 38.838 1.00 13.49 N ATOM 1047 CA ASN A 66 3.129 9.181 39.275 1.00 12.07 C ATOM 1048 C ASN A 66 1.927 9.164 38.356 1.00 13.15 C ATOM 1049 O ASN A 66 1.292 10.217 38.132 1.00 12.75 O ATOM 1050 CB ASN A 66 2.681 9.511 40.703 1.00 15.96 C ATOM 1051 CG ASN A 66 1.658 8.515 41.218 1.00 19.44 C ATOM 1052 OD1 ASN A 66 1.815 7.294 41.076 1.00 21.93 O ATOM 1053 ND2 ASN A 66 0.646 9.052 41.860 1.00 22.57 N ATOM 1054 H ASN A 66 3.991 11.094 39.020 1.00 0.00 H ATOM 1055 HA ASN A 66 3.566 8.183 39.279 1.00 0.00 H ATOM 1056 HB3 ASN A 66 2.255 10.514 40.727 1.00 0.00 H ATOM 1057 HB2 ASN A 66 3.548 9.514 41.363 1.00 0.00 H ATOM 1058 HD22 ASN A 66 -0.083 8.463 42.237 1.00 0.00 H ATOM 1059 HD21 ASN A 66 0.596 10.054 41.976 1.00 0.00 H ATOM 1060 N ASP A 67 1.540 7.994 37.876 1.00 12.42 N ATOM 1061 CA ASP A 67 0.316 7.813 37.121 1.00 13.42 C ATOM 1062 C ASP A 67 -0.665 6.926 37.841 1.00 13.40 C ATOM 1063 O ASP A 67 -1.748 6.656 37.327 1.00 16.86 O ATOM 1064 CB ASP A 67 0.521 7.391 35.697 1.00 12.34 C ATOM 1065 CG ASP A 67 1.148 6.020 35.466 1.00 13.28 C ATOM 1066 OD1 ASP A 67 1.302 5.246 36.458 1.00 14.28 O ATOM 1067 OD2 ASP A 67 1.451 5.688 34.292 1.00 14.87 O1- ATOM 1068 H ASP A 67 2.107 7.173 38.030 1.00 0.00 H ATOM 1069 HA ASP A 67 -0.152 8.796 37.075 1.00 0.00 H ATOM 1070 HB3 ASP A 67 1.112 8.147 35.181 1.00 0.00 H ATOM 1071 HB2 ASP A 67 -0.430 7.444 35.167 1.00 0.00 H ATOM 1072 N GLY A 68 -0.354 6.427 39.038 1.00 13.31 N ATOM 1073 CA GLY A 68 -1.237 5.601 39.777 1.00 14.71 C ATOM 1074 C GLY A 68 -1.299 4.150 39.386 1.00 17.90 C ATOM 1075 O GLY A 68 -1.716 3.325 40.201 1.00 27.90 O ATOM 1076 H GLY A 68 0.543 6.634 39.454 1.00 0.00 H ATOM 1077 HA3 GLY A 68 -2.240 6.025 39.740 1.00 0.00 H ATOM 1078 HA2 GLY A 68 -0.996 5.677 40.837 1.00 0.00 H ATOM 1079 N LYS A 69 -0.940 3.799 38.169 1.00 18.83 N ATOM 1080 CA LYS A 69 -1.117 2.434 37.678 1.00 17.60 C ATOM 1081 C LYS A 69 0.158 1.672 37.460 1.00 18.43 C ATOM 1082 O LYS A 69 0.142 0.597 36.907 1.00 23.74 O ATOM 1083 CB LYS A 69 -1.993 2.451 36.424 1.00 20.00 C ATOM 1084 CG LYS A 69 -1.400 3.242 35.259 1.00 19.72 C ATOM 1085 CD LYS A 69 -2.196 3.035 33.985 1.00 28.11 C ATOM 1086 CE LYS A 69 -1.386 3.360 32.756 1.00 40.33 C ATOM 1087 NZ LYS A 69 -2.007 4.518 32.007 1.00 48.89 N1+ ATOM 1088 H LYS A 69 -0.530 4.481 37.547 1.00 0.00 H ATOM 1089 HA LYS A 69 -1.676 1.896 38.443 1.00 0.00 H ATOM 1090 HB3 LYS A 69 -2.974 2.856 36.674 1.00 0.00 H ATOM 1091 HB2 LYS A 69 -2.186 1.427 36.104 1.00 0.00 H ATOM 1092 HG3 LYS A 69 -0.368 2.930 35.097 1.00 0.00 H ATOM 1093 HG2 LYS A 69 -1.387 4.303 35.510 1.00 0.00 H ATOM 1094 HD3 LYS A 69 -3.087 3.662 34.008 1.00 0.00 H ATOM 1095 HD2 LYS A 69 -2.534 2.000 33.933 1.00 0.00 H ATOM 1096 HE3 LYS A 69 -1.347 2.486 32.106 1.00 0.00 H ATOM 1097 HE2 LYS A 69 -0.369 3.621 33.050 1.00 0.00 H ATOM 1098 HZ1 LYS A 69 -1.451 4.728 31.191 1.00 0.00 H ATOM 1099 HZ2 LYS A 69 -2.944 4.271 31.721 1.00 0.00 H ATOM 1100 HZ3 LYS A 69 -2.042 5.329 32.608 1.00 0.00 H ATOM 1101 N THR A 70 1.290 2.237 37.833 1.00 17.05 N ATOM 1102 CA THR A 70 2.586 1.583 37.643 1.00 18.01 C ATOM 1103 C THR A 70 3.052 0.964 38.949 1.00 19.16 C ATOM 1104 O THR A 70 3.198 1.690 39.944 1.00 22.32 O ATOM 1105 CB THR A 70 3.632 2.665 37.254 1.00 17.38 C ATOM 1106 OG1 THR A 70 3.171 3.282 36.048 1.00 16.08 O ATOM 1107 CG2 THR A 70 4.948 1.973 36.907 1.00 18.56 C ATOM 1108 H THR A 70 1.280 3.150 38.265 1.00 0.00 H ATOM 1109 HA THR A 70 2.518 0.823 36.865 1.00 0.00 H ATOM 1110 HB THR A 70 3.764 3.397 38.051 1.00 0.00 H ATOM 1111 HG1 THR A 70 2.312 3.682 36.201 1.00 0.00 H ATOM 1112 HG21 THR A 70 5.691 2.721 36.632 1.00 0.00 H ATOM 1113 HG22 THR A 70 5.302 1.410 37.771 1.00 0.00 H ATOM 1114 HG23 THR A 70 4.792 1.292 36.070 1.00 0.00 H ATOM 1115 N PRO A 71 3.309 -0.326 38.966 1.00 20.91 N ATOM 1116 CA PRO A 71 3.801 -0.952 40.199 1.00 23.96 C ATOM 1117 C PRO A 71 5.211 -0.442 40.527 1.00 23.90 C ATOM 1118 O PRO A 71 5.988 -0.135 39.633 1.00 25.80 O ATOM 1119 CB PRO A 71 3.828 -2.423 39.889 1.00 25.33 C ATOM 1120 CG PRO A 71 2.993 -2.609 38.694 1.00 29.02 C ATOM 1121 CD PRO A 71 3.041 -1.296 37.916 1.00 23.02 C ATOM 1122 HA PRO A 71 3.121 -0.750 41.026 1.00 0.00 H ATOM 1123 HB3 PRO A 71 3.396 -2.977 40.723 1.00 0.00 H ATOM 1124 HB2 PRO A 71 4.851 -2.728 39.667 1.00 0.00 H ATOM 1125 HG3 PRO A 71 1.966 -2.813 38.998 1.00 0.00 H ATOM 1126 HG2 PRO A 71 3.410 -3.409 38.082 1.00 0.00 H ATOM 1127 HD2 PRO A 71 3.884 -1.319 37.225 1.00 0.00 H ATOM 1128 HD3 PRO A 71 2.059 -1.098 37.486 1.00 0.00 H ATOM 1129 N GLY A 72 5.465 -0.423 41.822 1.00 31.25 N ATOM 1130 CA GLY A 72 6.710 -0.057 42.413 1.00 31.98 C ATOM 1131 C GLY A 72 7.132 1.348 42.096 1.00 28.73 C ATOM 1132 O GLY A 72 8.321 1.629 42.055 1.00 39.18 O ATOM 1133 H GLY A 72 4.745 -0.682 42.482 1.00 0.00 H ATOM 1134 HA3 GLY A 72 7.484 -0.750 42.084 1.00 0.00 H ATOM 1135 HA2 GLY A 72 6.648 -0.181 43.494 1.00 0.00 H ATOM 1136 N ALA A 73 6.167 2.263 41.932 1.00 25.80 N ATOM 1137 CA ALA A 73 6.515 3.642 41.615 1.00 26.10 C ATOM 1138 C ALA A 73 7.131 4.398 42.786 1.00 24.83 C ATOM 1139 O ALA A 73 6.692 4.210 43.921 1.00 28.55 O ATOM 1140 CB ALA A 73 5.229 4.385 41.181 1.00 30.47 C ATOM 1141 H ALA A 73 5.197 1.997 42.028 1.00 0.00 H ATOM 1142 HA ALA A 73 7.220 3.645 40.784 1.00 0.00 H ATOM 1143 HB1 ALA A 73 5.471 5.420 40.940 1.00 0.00 H ATOM 1144 HB2 ALA A 73 4.806 3.897 40.303 1.00 0.00 H ATOM 1145 HB3 ALA A 73 4.504 4.362 41.994 1.00 0.00 H ATOM 1146 N VAL A 74 8.049 5.296 42.460 1.00 25.08 N ATOM 1147 CA VAL A 74 8.774 6.151 43.359 1.00 27.99 C ATOM 1148 C VAL A 74 8.397 7.608 43.356 1.00 23.91 C ATOM 1149 O VAL A 74 8.531 8.323 44.397 1.00 27.27 O ATOM 1150 CB VAL A 74 10.294 6.002 43.071 1.00 26.11 C ATOM 1151 CG1 VAL A 74 11.115 6.964 43.854 1.00 30.20 C ATOM 1152 CG2 VAL A 74 10.656 4.540 43.336 1.00 34.73 C ATOM 1153 H VAL A 74 8.301 5.432 41.491 1.00 0.00 H ATOM 1154 HA VAL A 74 8.600 5.777 44.368 1.00 0.00 H ATOM 1155 HB VAL A 74 10.458 6.203 42.012 1.00 0.00 H ATOM 1156 HG11 VAL A 74 12.169 6.820 43.617 1.00 0.00 H ATOM 1157 HG12 VAL A 74 10.822 7.983 43.600 1.00 0.00 H ATOM 1158 HG13 VAL A 74 10.956 6.795 44.919 1.00 0.00 H ATOM 1159 HG21 VAL A 74 11.718 4.388 43.146 1.00 0.00 H ATOM 1160 HG22 VAL A 74 10.434 4.293 44.374 1.00 0.00 H ATOM 1161 HG23 VAL A 74 10.074 3.896 42.677 1.00 0.00 H ATOM 1162 N ASN A 75 7.960 8.165 42.275 1.00 22.30 N ATOM 1163 CA ASN A 75 7.567 9.554 42.133 1.00 17.58 C ATOM 1164 C ASN A 75 8.627 10.529 42.604 1.00 16.17 C ATOM 1165 O ASN A 75 8.356 11.412 43.414 1.00 16.46 O ATOM 1166 CB ASN A 75 6.223 9.855 42.801 1.00 17.90 C ATOM 1167 CG ASN A 75 5.589 11.111 42.262 1.00 18.28 C ATOM 1168 OD1 ASN A 75 6.080 11.716 41.295 1.00 18.76 O ATOM 1169 ND2 ASN A 75 4.472 11.564 42.827 1.00 19.69 N ATOM 1170 H ASN A 75 7.868 7.622 41.429 1.00 0.00 H ATOM 1171 HA ASN A 75 7.432 9.732 41.066 1.00 0.00 H ATOM 1172 HB3 ASN A 75 6.367 9.955 43.877 1.00 0.00 H ATOM 1173 HB2 ASN A 75 5.547 9.014 42.650 1.00 0.00 H ATOM 1174 HD22 ASN A 75 4.034 12.405 42.478 1.00 0.00 H ATOM 1175 HD21 ASN A 75 4.062 11.067 43.605 1.00 0.00 H ATOM 1176 N ALA A 76 9.838 10.374 42.084 1.00 15.78 N ATOM 1177 CA ALA A 76 10.952 11.223 42.506 1.00 15.84 C ATOM 1178 C ALA A 76 10.749 12.663 42.105 1.00 16.60 C ATOM 1179 O ALA A 76 11.328 13.566 42.739 1.00 18.71 O ATOM 1180 CB ALA A 76 12.264 10.650 42.015 1.00 19.70 C ATOM 1181 H ALA A 76 10.001 9.662 41.386 1.00 0.00 H ATOM 1182 HA ALA A 76 10.979 11.196 43.595 1.00 0.00 H ATOM 1183 HB1 ALA A 76 13.084 11.292 42.336 1.00 0.00 H ATOM 1184 HB2 ALA A 76 12.402 9.651 42.428 1.00 0.00 H ATOM 1185 HB3 ALA A 76 12.252 10.594 40.927 1.00 0.00 H ATOM 1186 N CYS A 77 10.007 12.977 41.052 1.00 15.43 N ATOM 1187 CA CYS A 77 9.758 14.371 40.720 1.00 15.15 C ATOM 1188 C CYS A 77 8.583 14.976 41.491 1.00 15.94 C ATOM 1189 O CYS A 77 8.301 16.184 41.375 1.00 16.72 O ATOM 1190 CB CYS A 77 9.448 14.513 39.213 1.00 15.14 C ATOM 1191 SG CYS A 77 10.961 14.244 38.223 1.00 14.34 S ATOM 1192 H CYS A 77 9.612 12.247 40.477 1.00 0.00 H ATOM 1193 HA CYS A 77 10.655 14.947 40.946 1.00 0.00 H ATOM 1194 HB3 CYS A 77 9.057 15.511 39.015 1.00 0.00 H ATOM 1195 HB2 CYS A 77 8.692 13.781 38.927 1.00 0.00 H ATOM 1196 N HIS A 78 7.857 14.152 42.240 1.00 15.99 N ATOM 1197 CA HIS A 78 6.693 14.639 42.992 1.00 16.71 C ATOM 1198 C HIS A 78 5.720 15.394 42.117 1.00 17.72 C ATOM 1199 O HIS A 78 5.252 16.498 42.372 1.00 18.21 O ATOM 1200 CB HIS A 78 7.107 15.373 44.230 1.00 25.66 C ATOM 1201 CG HIS A 78 7.881 14.492 45.175 1.00 30.49 C ATOM 1202 ND1 HIS A 78 9.254 14.436 45.208 1.00 33.57 N ATOM 1203 CD2 HIS A 78 7.440 13.630 46.101 1.00 31.11 C ATOM 1204 CE1 HIS A 78 9.643 13.568 46.126 1.00 32.40 C ATOM 1205 NE2 HIS A 78 8.558 13.066 46.698 1.00 35.66 N ATOM 1206 H HIS A 78 8.103 13.174 42.299 1.00 0.00 H ATOM 1207 HA HIS A 78 6.163 13.750 43.333 1.00 0.00 H ATOM 1208 HB3 HIS A 78 6.222 15.758 44.736 1.00 0.00 H ATOM 1209 HB2 HIS A 78 7.717 16.233 43.955 1.00 0.00 H ATOM 1210 HD1 HIS A 78 9.798 15.013 44.582 1.00 0.00 H ATOM 1211 HD2 HIS A 78 6.379 13.495 46.252 1.00 0.00 H ATOM 1212 HE1 HIS A 78 10.696 13.387 46.287 1.00 0.00 H ATOM 1213 N LEU A 79 5.332 14.692 41.043 1.00 15.10 N ATOM 1214 CA LEU A 79 4.477 15.234 40.021 1.00 16.14 C ATOM 1215 C LEU A 79 3.569 14.136 39.446 1.00 14.36 C ATOM 1216 O LEU A 79 4.002 13.028 39.156 1.00 16.77 O ATOM 1217 CB LEU A 79 5.453 15.589 38.829 1.00 20.57 C ATOM 1218 CG LEU A 79 5.821 16.900 38.420 1.00 27.66 C ATOM 1219 CD1 LEU A 79 6.479 16.972 37.046 1.00 29.20 C ATOM 1220 CD2 LEU A 79 4.867 18.051 38.607 1.00 32.17 C ATOM 1221 H LEU A 79 5.641 13.738 40.925 1.00 0.00 H ATOM 1222 HA LEU A 79 3.913 16.100 40.368 1.00 0.00 H ATOM 1223 HB3 LEU A 79 5.131 15.034 37.948 1.00 0.00 H ATOM 1224 HB2 LEU A 79 6.363 15.000 38.945 1.00 0.00 H ATOM 1225 HG LEU A 79 6.639 17.147 39.097 1.00 0.00 H ATOM 1226 HD11 LEU A 79 6.726 18.008 36.815 1.00 0.00 H ATOM 1227 HD12 LEU A 79 7.390 16.373 37.047 1.00 0.00 H ATOM 1228 HD13 LEU A 79 5.792 16.586 36.293 1.00 0.00 H ATOM 1229 HD21 LEU A 79 5.325 18.967 38.235 1.00 0.00 H ATOM 1230 HD22 LEU A 79 3.948 17.855 38.055 1.00 0.00 H ATOM 1231 HD23 LEU A 79 4.637 18.164 39.666 1.00 0.00 H ATOM 1232 N SER A 80 2.353 14.557 39.108 1.00 12.78 N ATOM 1233 CA SER A 80 1.483 13.714 38.302 1.00 13.23 C ATOM 1234 C SER A 80 2.061 13.605 36.893 1.00 12.09 C ATOM 1235 O SER A 80 2.491 14.619 36.303 1.00 12.94 O ATOM 1236 CB SER A 80 0.083 14.348 38.208 1.00 14.70 C ATOM 1237 OG SER A 80 -0.719 13.660 37.289 1.00 14.92 O ATOM 1238 H SER A 80 2.031 15.465 39.411 1.00 0.00 H ATOM 1239 HA SER A 80 1.411 12.723 38.750 1.00 0.00 H ATOM 1240 HB3 SER A 80 0.176 15.389 37.900 1.00 0.00 H ATOM 1241 HB2 SER A 80 -0.391 14.328 39.189 1.00 0.00 H ATOM 1242 HG SER A 80 -0.861 12.762 37.597 1.00 0.00 H ATOM 1243 N CYS A 81 2.061 12.409 36.333 1.00 12.15 N ATOM 1244 CA CYS A 81 2.527 12.262 34.961 1.00 11.82 C ATOM 1245 C CYS A 81 1.727 13.119 33.997 1.00 11.57 C ATOM 1246 O CYS A 81 2.174 13.490 32.916 1.00 13.13 O ATOM 1247 CB CYS A 81 2.520 10.801 34.499 1.00 13.14 C ATOM 1248 SG CYS A 81 3.612 9.727 35.444 1.00 13.20 S ATOM 1249 H CYS A 81 1.740 11.607 36.856 1.00 0.00 H ATOM 1250 HA CYS A 81 3.559 12.610 34.928 1.00 0.00 H ATOM 1251 HB3 CYS A 81 2.791 10.754 33.444 1.00 0.00 H ATOM 1252 HB2 CYS A 81 1.503 10.412 34.545 1.00 0.00 H ATOM 1253 N SER A 82 0.477 13.429 34.353 1.00 12.73 N ATOM 1254 CA SER A 82 -0.337 14.320 33.519 1.00 13.54 C ATOM 1255 C SER A 82 0.293 15.686 33.299 1.00 11.95 C ATOM 1256 O SER A 82 0.078 16.310 32.247 1.00 13.03 O ATOM 1257 CB SER A 82 -1.753 14.415 34.043 1.00 17.55 C ATOM 1258 OG SER A 82 -1.790 15.168 35.206 1.00 18.83 O ATOM 1259 H SER A 82 0.085 13.049 35.203 1.00 0.00 H ATOM 1260 HA SER A 82 -0.402 13.849 32.538 1.00 0.00 H ATOM 1261 HB3 SER A 82 -2.133 13.414 34.247 1.00 0.00 H ATOM 1262 HB2 SER A 82 -2.389 14.880 33.289 1.00 0.00 H ATOM 1263 HG SER A 82 -1.423 14.657 35.931 1.00 0.00 H ATOM 1264 N ALA A 83 1.105 16.142 34.244 1.00 12.11 N ATOM 1265 CA ALA A 83 1.797 17.428 34.065 1.00 12.56 C ATOM 1266 C ALA A 83 2.760 17.403 32.889 1.00 13.55 C ATOM 1267 O ALA A 83 3.137 18.474 32.418 1.00 15.23 O ATOM 1268 CB ALA A 83 2.553 17.777 35.346 1.00 15.16 C ATOM 1269 H ALA A 83 1.249 15.606 35.088 1.00 0.00 H ATOM 1270 HA ALA A 83 1.050 18.200 33.883 1.00 0.00 H ATOM 1271 HB1 ALA A 83 3.067 18.729 35.217 1.00 0.00 H ATOM 1272 HB2 ALA A 83 1.849 17.854 36.175 1.00 0.00 H ATOM 1273 HB3 ALA A 83 3.283 16.997 35.562 1.00 0.00 H ATOM 1274 N LEU A 84 3.199 16.242 32.485 1.00 12.54 N ATOM 1275 CA LEU A 84 4.179 16.043 31.431 1.00 12.71 C ATOM 1276 C LEU A 84 3.491 15.897 30.074 1.00 13.40 C ATOM 1277 O LEU A 84 4.161 15.664 29.074 1.00 16.08 O ATOM 1278 CB LEU A 84 5.042 14.800 31.728 1.00 14.18 C ATOM 1279 CG LEU A 84 5.808 14.816 33.039 1.00 17.81 C ATOM 1280 CD1 LEU A 84 6.546 13.520 33.295 1.00 20.67 C ATOM 1281 CD2 LEU A 84 6.710 15.996 33.181 1.00 21.32 C ATOM 1282 H LEU A 84 2.855 15.395 32.914 1.00 0.00 H ATOM 1283 HA LEU A 84 4.831 16.916 31.396 1.00 0.00 H ATOM 1284 HB3 LEU A 84 5.740 14.642 30.906 1.00 0.00 H ATOM 1285 HB2 LEU A 84 4.415 13.909 31.689 1.00 0.00 H ATOM 1286 HG LEU A 84 5.062 14.904 33.829 1.00 0.00 H ATOM 1287 HD11 LEU A 84 7.077 13.585 34.245 1.00 0.00 H ATOM 1288 HD12 LEU A 84 5.833 12.697 33.334 1.00 0.00 H ATOM 1289 HD13 LEU A 84 7.261 13.343 32.491 1.00 0.00 H ATOM 1290 HD21 LEU A 84 7.227 15.946 34.139 1.00 0.00 H ATOM 1291 HD22 LEU A 84 7.442 15.994 32.373 1.00 0.00 H ATOM 1292 HD23 LEU A 84 6.121 16.912 33.134 1.00 0.00 H ATOM 1293 N LEU A 85 2.177 16.084 30.026 1.00 12.93 N ATOM 1294 CA LEU A 85 1.434 16.085 28.771 1.00 13.54 C ATOM 1295 C LEU A 85 0.863 17.458 28.422 1.00 13.88 C ATOM 1296 O LEU A 85 0.070 17.602 27.506 1.00 16.87 O ATOM 1297 CB LEU A 85 0.311 15.022 28.823 1.00 13.39 C ATOM 1298 CG LEU A 85 0.797 13.583 29.008 1.00 13.51 C ATOM 1299 CD1 LEU A 85 -0.390 12.643 29.196 1.00 18.29 C ATOM 1300 CD2 LEU A 85 1.680 13.105 27.872 1.00 16.82 C ATOM 1301 H LEU A 85 1.657 16.232 30.879 1.00 0.00 H ATOM 1302 HA LEU A 85 2.124 15.801 27.976 1.00 0.00 H ATOM 1303 HB3 LEU A 85 -0.289 15.086 27.915 1.00 0.00 H ATOM 1304 HB2 LEU A 85 -0.386 15.273 29.622 1.00 0.00 H ATOM 1305 HG LEU A 85 1.390 13.551 29.922 1.00 0.00 H ATOM 1306 HD11 LEU A 85 -0.029 11.623 29.326 1.00 0.00 H ATOM 1307 HD12 LEU A 85 -0.956 12.943 30.078 1.00 0.00 H ATOM 1308 HD13 LEU A 85 -1.034 12.690 28.318 1.00 0.00 H ATOM 1309 HD21 LEU A 85 1.992 12.078 28.061 1.00 0.00 H ATOM 1310 HD22 LEU A 85 1.124 13.148 26.936 1.00 0.00 H ATOM 1311 HD23 LEU A 85 2.560 13.745 27.801 1.00 0.00 H ATOM 1312 N GLN A 86 1.264 18.481 29.161 1.00 14.21 N ATOM 1313 CA GLN A 86 0.830 19.860 28.906 1.00 14.01 C ATOM 1314 C GLN A 86 1.581 20.459 27.720 1.00 14.22 C ATOM 1315 O GLN A 86 2.679 20.054 27.383 1.00 16.42 O ATOM 1316 CB GLN A 86 1.145 20.734 30.130 1.00 15.40 C ATOM 1317 CG GLN A 86 0.321 20.410 31.361 1.00 18.36 C ATOM 1318 CD GLN A 86 0.777 21.304 32.524 1.00 22.98 C ATOM 1319 OE1 GLN A 86 0.193 22.480 32.608 1.00 25.88 O ATOM 1320 NE2 GLN A 86 1.715 20.939 33.236 1.00 27.04 N ATOM 1321 H GLN A 86 1.894 18.328 29.936 1.00 0.00 H ATOM 1322 HA GLN A 86 -0.242 19.877 28.709 1.00 0.00 H ATOM 1323 HB3 GLN A 86 1.007 21.783 29.869 1.00 0.00 H ATOM 1324 HB2 GLN A 86 2.204 20.648 30.372 1.00 0.00 H ATOM 1325 HG3 GLN A 86 0.465 19.363 31.629 1.00 0.00 H ATOM 1326 HG2 GLN A 86 -0.733 20.596 31.152 1.00 0.00 H ATOM 1327 HE22 GLN A 86 2.022 21.520 34.003 1.00 0.00 H ATOM 1328 HE21 GLN A 86 2.176 20.059 33.052 1.00 0.00 H ATOM 1329 N ASP A 87 0.997 21.519 27.144 1.00 13.89 N ATOM 1330 CA ASP A 87 1.693 22.242 26.077 1.00 14.61 C ATOM 1331 C ASP A 87 2.847 23.069 26.642 1.00 16.13 C ATOM 1332 O ASP A 87 3.869 23.240 25.973 1.00 20.65 O ATOM 1333 CB ASP A 87 0.734 23.155 25.338 1.00 15.52 C ATOM 1334 CG ASP A 87 -0.164 22.507 24.344 1.00 15.85 C ATOM 1335 OD1 ASP A 87 -0.038 21.273 24.071 1.00 18.46 O ATOM 1336 OD2 ASP A 87 -1.006 23.238 23.788 1.00 18.72 O1- ATOM 1337 H ASP A 87 0.080 21.817 27.446 1.00 0.00 H ATOM 1338 HA ASP A 87 2.097 21.517 25.371 1.00 0.00 H ATOM 1339 HB3 ASP A 87 1.299 23.948 24.848 1.00 0.00 H ATOM 1340 HB2 ASP A 87 0.132 23.704 26.062 1.00 0.00 H ATOM 1341 N ASN A 88 2.657 23.546 27.848 1.00 15.81 N ATOM 1342 CA ASN A 88 3.699 24.287 28.579 1.00 17.79 C ATOM 1343 C ASN A 88 4.648 23.253 29.221 1.00 16.08 C ATOM 1344 O ASN A 88 4.209 22.383 29.925 1.00 19.07 O ATOM 1345 CB ASN A 88 2.980 25.077 29.706 1.00 20.11 C ATOM 1346 CG ASN A 88 3.961 26.004 30.397 1.00 22.92 C ATOM 1347 OD1 ASN A 88 4.868 25.577 31.063 1.00 26.75 O ATOM 1348 ND2 ASN A 88 3.766 27.301 30.166 1.00 44.22 N ATOM 1349 H ASN A 88 1.769 23.411 28.311 1.00 0.00 H ATOM 1350 HA ASN A 88 4.242 24.959 27.914 1.00 0.00 H ATOM 1351 HB3 ASN A 88 2.567 24.378 30.433 1.00 0.00 H ATOM 1352 HB2 ASN A 88 2.167 25.663 29.277 1.00 0.00 H ATOM 1353 HD22 ASN A 88 4.376 27.986 30.589 1.00 0.00 H ATOM 1354 HD21 ASN A 88 3.008 27.599 29.568 1.00 0.00 H ATOM 1355 N ILE A 89 5.939 23.387 28.974 1.00 12.57 N ATOM 1356 CA ILE A 89 6.897 22.386 29.384 1.00 12.70 C ATOM 1357 C ILE A 89 7.633 22.674 30.654 1.00 11.43 C ATOM 1358 O ILE A 89 8.589 21.985 31.014 1.00 12.56 O ATOM 1359 CB ILE A 89 7.868 22.023 28.223 1.00 12.99 C ATOM 1360 CG1 ILE A 89 8.795 23.173 27.880 1.00 14.29 C ATOM 1361 CG2 ILE A 89 7.072 21.503 27.032 1.00 16.72 C ATOM 1362 CD1 ILE A 89 9.875 22.815 26.847 1.00 17.23 C ATOM 1363 H ILE A 89 6.278 24.205 28.487 1.00 0.00 H ATOM 1364 HA ILE A 89 6.317 21.484 29.577 1.00 0.00 H ATOM 1365 HB ILE A 89 8.493 21.202 28.573 1.00 0.00 H ATOM 1366 HG13 ILE A 89 9.272 23.537 28.790 1.00 0.00 H ATOM 1367 HG12 ILE A 89 8.207 24.014 27.512 1.00 0.00 H ATOM 1368 HG21 ILE A 89 7.755 21.250 26.221 1.00 0.00 H ATOM 1369 HG22 ILE A 89 6.514 20.615 27.327 1.00 0.00 H ATOM 1370 HG23 ILE A 89 6.377 22.272 26.695 1.00 0.00 H ATOM 1371 HD11 ILE A 89 10.498 23.688 26.654 1.00 0.00 H ATOM 1372 HD12 ILE A 89 10.495 22.006 27.234 1.00 0.00 H ATOM 1373 HD13 ILE A 89 9.400 22.496 25.919 1.00 0.00 H ATOM 1374 N ALA A 90 7.247 23.691 31.408 1.00 12.52 N ATOM 1375 CA ALA A 90 7.968 24.041 32.627 1.00 11.88 C ATOM 1376 C ALA A 90 8.056 22.876 33.593 1.00 12.16 C ATOM 1377 O ALA A 90 9.117 22.634 34.150 1.00 12.58 O ATOM 1378 CB ALA A 90 7.335 25.237 33.333 1.00 16.43 C ATOM 1379 H ALA A 90 6.441 24.239 31.143 1.00 0.00 H ATOM 1380 HA ALA A 90 8.984 24.319 32.346 1.00 0.00 H ATOM 1381 HB1 ALA A 90 7.900 25.467 34.236 1.00 0.00 H ATOM 1382 HB2 ALA A 90 7.347 26.100 32.668 1.00 0.00 H ATOM 1383 HB3 ALA A 90 6.305 24.999 33.600 1.00 0.00 H ATOM 1384 N ASP A 91 6.980 22.125 33.818 1.00 12.34 N ATOM 1385 CA ASP A 91 7.018 20.988 34.743 1.00 13.06 C ATOM 1386 C ASP A 91 7.880 19.855 34.206 1.00 13.27 C ATOM 1387 O ASP A 91 8.629 19.220 34.973 1.00 14.41 O ATOM 1388 CB ASP A 91 5.625 20.499 35.093 1.00 16.70 C ATOM 1389 CG ASP A 91 4.848 21.453 35.998 1.00 21.64 C ATOM 1390 OD1 ASP A 91 5.428 22.205 36.792 1.00 25.67 O ATOM 1391 OD2 ASP A 91 3.624 21.358 35.954 1.00 30.98 O1- ATOM 1392 H ASP A 91 6.111 22.333 33.347 1.00 0.00 H ATOM 1393 HA ASP A 91 7.480 21.337 35.666 1.00 0.00 H ATOM 1394 HB3 ASP A 91 5.694 19.522 35.572 1.00 0.00 H ATOM 1395 HB2 ASP A 91 5.060 20.330 34.176 1.00 0.00 H ATOM 1396 N ALA A 92 7.827 19.607 32.901 1.00 12.68 N ATOM 1397 CA ALA A 92 8.688 18.613 32.289 1.00 12.92 C ATOM 1398 C ALA A 92 10.169 18.955 32.480 1.00 11.99 C ATOM 1399 O ALA A 92 10.990 18.083 32.753 1.00 13.19 O ATOM 1400 CB ALA A 92 8.369 18.445 30.833 1.00 14.28 C ATOM 1401 H ALA A 92 7.179 20.115 32.316 1.00 0.00 H ATOM 1402 HA ALA A 92 8.500 17.660 32.783 1.00 0.00 H ATOM 1403 HB1 ALA A 92 9.030 17.694 30.400 1.00 0.00 H ATOM 1404 HB2 ALA A 92 7.333 18.124 30.722 1.00 0.00 H ATOM 1405 HB3 ALA A 92 8.512 19.395 30.317 1.00 0.00 H ATOM 1406 N VAL A 93 10.484 20.228 32.281 1.00 11.60 N ATOM 1407 CA VAL A 93 11.853 20.715 32.472 1.00 11.58 C ATOM 1408 C VAL A 93 12.271 20.564 33.924 1.00 10.95 C ATOM 1409 O VAL A 93 13.399 20.102 34.199 1.00 12.78 O ATOM 1410 CB VAL A 93 11.986 22.164 31.977 1.00 12.54 C ATOM 1411 CG1 VAL A 93 13.247 22.807 32.490 1.00 15.10 C ATOM 1412 CG2 VAL A 93 11.984 22.166 30.441 1.00 14.14 C ATOM 1413 H VAL A 93 9.773 20.885 31.992 1.00 0.00 H ATOM 1414 HA VAL A 93 12.515 20.094 31.868 1.00 0.00 H ATOM 1415 HB VAL A 93 11.129 22.737 32.331 1.00 0.00 H ATOM 1416 HG11 VAL A 93 13.309 23.831 32.121 1.00 0.00 H ATOM 1417 HG12 VAL A 93 13.234 22.814 33.580 1.00 0.00 H ATOM 1418 HG13 VAL A 93 14.111 22.242 32.141 1.00 0.00 H ATOM 1419 HG21 VAL A 93 12.078 23.190 30.078 1.00 0.00 H ATOM 1420 HG22 VAL A 93 12.822 21.573 30.075 1.00 0.00 H ATOM 1421 HG23 VAL A 93 11.050 21.737 30.078 1.00 0.00 H ATOM 1422 N ALA A 94 11.446 20.889 34.907 1.00 11.32 N ATOM 1423 CA ALA A 94 11.802 20.743 36.304 1.00 14.03 C ATOM 1424 C ALA A 94 12.122 19.276 36.624 1.00 11.77 C ATOM 1425 O ALA A 94 13.023 18.941 37.363 1.00 13.70 O ATOM 1426 CB ALA A 94 10.683 21.271 37.205 1.00 15.14 C ATOM 1427 H ALA A 94 10.528 21.255 34.696 1.00 0.00 H ATOM 1428 HA ALA A 94 12.698 21.335 36.491 1.00 0.00 H ATOM 1429 HB1 ALA A 94 10.970 21.152 38.250 1.00 0.00 H ATOM 1430 HB2 ALA A 94 10.513 22.327 36.993 1.00 0.00 H ATOM 1431 HB3 ALA A 94 9.768 20.711 37.014 1.00 0.00 H ATOM 1432 N CYS A 95 11.290 18.382 36.069 1.00 11.92 N ATOM 1433 CA CYS A 95 11.502 16.937 36.293 1.00 11.46 C ATOM 1434 C CYS A 95 12.716 16.432 35.577 1.00 10.97 C ATOM 1435 O CYS A 95 13.523 15.654 36.140 1.00 12.53 O ATOM 1436 CB CYS A 95 10.233 16.192 35.991 1.00 12.67 C ATOM 1437 SG CYS A 95 10.311 14.394 36.325 1.00 13.56 S ATOM 1438 H CYS A 95 10.519 18.697 35.498 1.00 0.00 H ATOM 1439 HA CYS A 95 11.693 16.811 37.359 1.00 0.00 H ATOM 1440 HB3 CYS A 95 9.959 16.354 34.949 1.00 0.00 H ATOM 1441 HB2 CYS A 95 9.413 16.630 36.560 1.00 0.00 H ATOM 1442 N ALA A 96 13.007 16.889 34.370 1.00 10.42 N ATOM 1443 CA ALA A 96 14.241 16.508 33.671 1.00 11.09 C ATOM 1444 C ALA A 96 15.468 16.979 34.433 1.00 11.76 C ATOM 1445 O ALA A 96 16.490 16.261 34.477 1.00 13.14 O ATOM 1446 CB ALA A 96 14.255 17.054 32.263 1.00 13.08 C ATOM 1447 H ALA A 96 12.372 17.520 33.902 1.00 0.00 H ATOM 1448 HA ALA A 96 14.275 15.420 33.613 1.00 0.00 H ATOM 1449 HB1 ALA A 96 15.179 16.758 31.767 1.00 0.00 H ATOM 1450 HB2 ALA A 96 13.403 16.657 31.710 1.00 0.00 H ATOM 1451 HB3 ALA A 96 14.192 18.142 32.294 1.00 0.00 H ATOM 1452 N LYS A 97 15.408 18.176 35.028 1.00 11.55 N ATOM 1453 CA LYS A 97 16.504 18.653 35.878 1.00 11.67 C ATOM 1454 C LYS A 97 16.743 17.713 37.044 1.00 11.49 C ATOM 1455 O LYS A 97 17.884 17.391 37.359 1.00 14.28 O ATOM 1456 CB LYS A 97 16.212 20.088 36.357 1.00 12.72 C ATOM 1457 CG LYS A 97 16.368 21.133 35.251 1.00 12.67 C ATOM 1458 CD LYS A 97 15.985 22.506 35.764 1.00 13.88 C ATOM 1459 CE LYS A 97 16.226 23.587 34.721 1.00 14.34 C ATOM 1460 NZ LYS A 97 15.723 24.894 35.215 1.00 16.93 N1+ ATOM 1461 H LYS A 97 14.599 18.766 34.895 1.00 0.00 H ATOM 1462 HA LYS A 97 17.411 18.678 35.275 1.00 0.00 H ATOM 1463 HB3 LYS A 97 16.876 20.335 37.185 1.00 0.00 H ATOM 1464 HB2 LYS A 97 15.201 20.136 36.761 1.00 0.00 H ATOM 1465 HG3 LYS A 97 15.728 20.869 34.409 1.00 0.00 H ATOM 1466 HG2 LYS A 97 17.403 21.149 34.910 1.00 0.00 H ATOM 1467 HD3 LYS A 97 16.562 22.732 36.661 1.00 0.00 H ATOM 1468 HD2 LYS A 97 14.933 22.506 36.050 1.00 0.00 H ATOM 1469 HE3 LYS A 97 15.708 23.324 33.799 1.00 0.00 H ATOM 1470 HE2 LYS A 97 17.294 23.663 34.517 1.00 0.00 H ATOM 1471 HZ1 LYS A 97 15.496 25.487 34.429 1.00 0.00 H ATOM 1472 HZ2 LYS A 97 14.895 24.747 35.775 1.00 0.00 H ATOM 1473 HZ3 LYS A 97 16.435 25.339 35.777 1.00 0.00 H ATOM 1474 N ARG A 98 15.662 17.232 37.656 1.00 12.01 N ATOM 1475 CA ARG A 98 15.744 16.274 38.726 1.00 12.87 C ATOM 1476 C ARG A 98 16.404 14.968 38.280 1.00 12.26 C ATOM 1477 O ARG A 98 17.260 14.445 38.991 1.00 14.55 O ATOM 1478 CB ARG A 98 14.372 16.023 39.369 1.00 13.46 C ATOM 1479 CG ARG A 98 14.350 14.872 40.317 1.00 14.92 C ATOM 1480 CD ARG A 98 15.183 15.092 41.556 1.00 17.52 C ATOM 1481 NE ARG A 98 15.223 13.864 42.388 1.00 17.98 N ATOM 1482 CZ ARG A 98 16.113 12.885 42.319 1.00 18.76 C ATOM 1483 NH1 ARG A 98 17.051 12.827 41.371 1.00 21.63 N ATOM 1484 NH2 ARG A 98 16.020 11.928 43.233 1.00 21.98 N1+ ATOM 1485 H ARG A 98 14.743 17.539 37.372 1.00 0.00 H ATOM 1486 HA ARG A 98 16.383 16.708 39.495 1.00 0.00 H ATOM 1487 HB3 ARG A 98 13.630 15.861 38.587 1.00 0.00 H ATOM 1488 HB2 ARG A 98 14.045 16.925 39.887 1.00 0.00 H ATOM 1489 HG3 ARG A 98 14.695 13.974 39.804 1.00 0.00 H ATOM 1490 HG2 ARG A 98 13.320 14.661 40.606 1.00 0.00 H ATOM 1491 HD3 ARG A 98 14.759 15.911 42.138 1.00 0.00 H ATOM 1492 HD2 ARG A 98 16.197 15.368 41.267 1.00 0.00 H ATOM 1493 HE ARG A 98 14.472 13.817 43.062 1.00 0.00 H ATOM 1494 HH12 ARG A 98 17.709 12.061 41.358 1.00 0.00 H ATOM 1495 HH11 ARG A 98 17.103 13.549 40.667 1.00 0.00 H ATOM 1496 HH22 ARG A 98 16.673 11.158 43.226 1.00 0.00 H ATOM 1497 HH21 ARG A 98 15.296 11.969 43.936 1.00 0.00 H ATOM 1498 N VAL A 99 16.040 14.483 37.096 1.00 11.86 N ATOM 1499 CA VAL A 99 16.636 13.244 36.592 1.00 12.33 C ATOM 1500 C VAL A 99 18.139 13.381 36.528 1.00 12.78 C ATOM 1501 O VAL A 99 18.894 12.511 36.955 1.00 14.35 O ATOM 1502 CB VAL A 99 16.086 12.871 35.213 1.00 12.64 C ATOM 1503 CG1 VAL A 99 16.842 11.697 34.580 1.00 14.52 C ATOM 1504 CG2 VAL A 99 14.583 12.589 35.246 1.00 14.42 C ATOM 1505 H VAL A 99 15.350 14.970 36.541 1.00 0.00 H ATOM 1506 HA VAL A 99 16.394 12.440 37.287 1.00 0.00 H ATOM 1507 HB VAL A 99 16.235 13.734 34.565 1.00 0.00 H ATOM 1508 HG11 VAL A 99 16.413 11.472 33.604 1.00 0.00 H ATOM 1509 HG12 VAL A 99 17.893 11.962 34.462 1.00 0.00 H ATOM 1510 HG13 VAL A 99 16.758 10.821 35.223 1.00 0.00 H ATOM 1511 HG21 VAL A 99 14.240 12.329 34.245 1.00 0.00 H ATOM 1512 HG22 VAL A 99 14.383 11.760 35.925 1.00 0.00 H ATOM 1513 HG23 VAL A 99 14.054 13.477 35.592 1.00 0.00 H ATOM 1514 N VAL A 100 18.630 14.480 35.952 1.00 13.05 N ATOM 1515 CA VAL A 100 20.059 14.646 35.727 1.00 12.65 C ATOM 1516 C VAL A 100 20.831 15.025 36.950 1.00 14.23 C ATOM 1517 O VAL A 100 22.087 15.070 36.868 1.00 17.68 O ATOM 1518 CB VAL A 100 20.366 15.488 34.511 1.00 12.79 C ATOM 1519 CG1 VAL A 100 19.716 14.936 33.262 1.00 14.07 C ATOM 1520 CG2 VAL A 100 20.037 16.947 34.711 1.00 14.57 C ATOM 1521 H VAL A 100 18.006 15.220 35.662 1.00 0.00 H ATOM 1522 HA VAL A 100 20.417 13.649 35.471 1.00 0.00 H ATOM 1523 HB VAL A 100 21.443 15.429 34.354 1.00 0.00 H ATOM 1524 HG11 VAL A 100 19.963 15.572 32.412 1.00 0.00 H ATOM 1525 HG12 VAL A 100 20.082 13.926 33.078 1.00 0.00 H ATOM 1526 HG13 VAL A 100 18.634 14.912 33.395 1.00 0.00 H ATOM 1527 HG21 VAL A 100 20.279 17.502 33.805 1.00 0.00 H ATOM 1528 HG22 VAL A 100 18.974 17.054 34.930 1.00 0.00 H ATOM 1529 HG23 VAL A 100 20.620 17.341 35.544 1.00 0.00 H ATOM 1530 N ARG A 101 20.215 15.219 38.108 1.00 15.12 N ATOM 1531 CA ARG A 101 20.878 15.434 39.379 1.00 17.78 C ATOM 1532 C ARG A 101 21.423 14.145 39.971 1.00 20.08 C ATOM 1533 O ARG A 101 22.307 14.124 40.830 1.00 23.74 O ATOM 1534 CB ARG A 101 20.047 16.227 40.384 1.00 18.42 C ATOM 1535 CG ARG A 101 19.965 17.710 40.073 1.00 18.87 C ATOM 1536 CD ARG A 101 19.473 18.575 41.193 1.00 18.67 C ATOM 1537 NE ARG A 101 18.098 18.227 41.619 1.00 20.24 N ATOM 1538 CZ ARG A 101 16.991 18.782 41.195 1.00 16.31 C ATOM 1539 NH1 ARG A 101 16.974 19.592 40.127 1.00 19.85 N ATOM 1540 NH2 ARG A 101 15.828 18.489 41.766 1.00 21.13 N1+ ATOM 1541 H ARG A 101 19.206 15.224 38.149 1.00 0.00 H ATOM 1542 HA ARG A 101 21.749 16.052 39.160 1.00 0.00 H ATOM 1543 HB3 ARG A 101 20.460 16.089 41.383 1.00 0.00 H ATOM 1544 HB2 ARG A 101 19.041 15.811 40.429 1.00 0.00 H ATOM 1545 HG3 ARG A 101 19.333 17.860 39.198 1.00 0.00 H ATOM 1546 HG2 ARG A 101 20.943 18.064 39.747 1.00 0.00 H ATOM 1547 HD3 ARG A 101 19.503 19.620 40.884 1.00 0.00 H ATOM 1548 HD2 ARG A 101 20.149 18.486 42.043 1.00 0.00 H ATOM 1549 HE ARG A 101 18.061 17.485 42.303 1.00 0.00 H ATOM 1550 HH12 ARG A 101 16.105 20.007 39.822 1.00 0.00 H ATOM 1551 HH11 ARG A 101 17.830 19.787 39.628 1.00 0.00 H ATOM 1552 HH22 ARG A 101 14.978 18.922 41.433 1.00 0.00 H ATOM 1553 HH21 ARG A 101 15.793 17.833 42.534 1.00 0.00 H ATOM 1554 N ASP A 102 20.957 13.017 39.431 1.00 17.13 N ATOM 1555 CA ASP A 102 21.493 11.697 39.805 1.00 18.60 C ATOM 1556 C ASP A 102 22.811 11.524 39.069 1.00 18.33 C ATOM 1557 O ASP A 102 23.039 12.194 38.049 1.00 17.88 O ATOM 1558 CB ASP A 102 20.483 10.608 39.411 1.00 25.63 C ATOM 1559 CG ASP A 102 19.442 10.383 40.501 1.00 29.45 C ATOM 1560 OD1 ASP A 102 19.380 11.199 41.437 1.00 31.08 O ATOM 1561 OD2 ASP A 102 18.675 9.383 40.401 1.00 39.39 O1- ATOM 1562 H ASP A 102 20.216 13.054 38.745 1.00 0.00 H ATOM 1563 HA ASP A 102 21.667 11.664 40.881 1.00 0.00 H ATOM 1564 HB3 ASP A 102 21.013 9.675 39.217 1.00 0.00 H ATOM 1565 HB2 ASP A 102 19.983 10.895 38.486 1.00 0.00 H ATOM 1566 N PRO A 103 23.680 10.667 39.533 1.00 21.13 N ATOM 1567 CA PRO A 103 25.004 10.485 38.927 1.00 24.39 C ATOM 1568 C PRO A 103 25.060 10.189 37.455 1.00 20.09 C ATOM 1569 O PRO A 103 25.977 10.719 36.771 1.00 18.73 O ATOM 1570 CB PRO A 103 25.583 9.338 39.769 1.00 27.01 C ATOM 1571 CG PRO A 103 24.910 9.447 41.087 1.00 27.24 C ATOM 1572 CD PRO A 103 23.520 9.942 40.770 1.00 23.20 C ATOM 1573 HA PRO A 103 25.594 11.381 39.118 1.00 0.00 H ATOM 1574 HB3 PRO A 103 26.655 9.489 39.897 1.00 0.00 H ATOM 1575 HB2 PRO A 103 25.324 8.385 39.308 1.00 0.00 H ATOM 1576 HG3 PRO A 103 25.427 10.188 41.696 1.00 0.00 H ATOM 1577 HG2 PRO A 103 24.846 8.459 41.543 1.00 0.00 H ATOM 1578 HD2 PRO A 103 22.862 9.089 40.605 1.00 0.00 H ATOM 1579 HD3 PRO A 103 23.195 10.629 41.551 1.00 0.00 H ATOM 1580 N GLN A 104 24.152 9.405 36.895 1.00 18.34 N ATOM 1581 CA GLN A 104 24.190 9.021 35.457 1.00 21.23 C ATOM 1582 C GLN A 104 23.989 10.238 34.581 1.00 17.94 C ATOM 1583 O GLN A 104 24.287 10.232 33.393 1.00 18.00 O ATOM 1584 CB GLN A 104 22.964 8.102 35.159 1.00 24.12 C ATOM 1585 CG GLN A 104 23.171 6.659 35.036 1.00 47.13 C ATOM 1586 CD GLN A 104 21.992 5.892 34.431 1.00 47.32 C ATOM 1587 OE1 GLN A 104 22.165 5.001 33.612 1.00 60.39 O ATOM 1588 NE2 GLN A 104 20.778 6.322 34.790 1.00 62.61 N ATOM 1589 H GLN A 104 23.390 9.039 37.448 1.00 0.00 H ATOM 1590 HA GLN A 104 25.124 8.515 35.213 1.00 0.00 H ATOM 1591 HB3 GLN A 104 22.456 8.466 34.266 1.00 0.00 H ATOM 1592 HB2 GLN A 104 22.191 8.288 35.904 1.00 0.00 H ATOM 1593 HG3 GLN A 104 23.407 6.244 36.016 1.00 0.00 H ATOM 1594 HG2 GLN A 104 24.066 6.472 34.442 1.00 0.00 H ATOM 1595 HE22 GLN A 104 19.953 5.864 34.430 1.00 0.00 H ATOM 1596 HE21 GLN A 104 20.686 7.105 35.421 1.00 0.00 H ATOM 1597 N GLY A 105 23.358 11.270 35.149 1.00 16.59 N ATOM 1598 CA GLY A 105 23.096 12.414 34.292 1.00 17.91 C ATOM 1599 C GLY A 105 22.194 12.090 33.127 1.00 15.90 C ATOM 1600 O GLY A 105 21.209 11.346 33.219 1.00 17.09 O ATOM 1601 H GLY A 105 23.092 11.225 36.122 1.00 0.00 H ATOM 1602 HA3 GLY A 105 24.040 12.811 33.919 1.00 0.00 H ATOM 1603 HA2 GLY A 105 22.651 13.214 34.883 1.00 0.00 H ATOM 1604 N ILE A 106 22.493 12.610 31.941 1.00 15.81 N ATOM 1605 CA ILE A 106 21.634 12.390 30.789 1.00 17.11 C ATOM 1606 C ILE A 106 21.703 10.988 30.254 1.00 15.80 C ATOM 1607 O ILE A 106 20.898 10.593 29.413 1.00 16.82 O ATOM 1608 CB ILE A 106 21.928 13.435 29.715 1.00 17.55 C ATOM 1609 CG1 ILE A 106 20.871 13.542 28.615 1.00 19.14 C ATOM 1610 CG2 ILE A 106 23.310 13.288 29.154 1.00 21.03 C ATOM 1611 CD1 ILE A 106 20.770 14.868 27.974 1.00 17.90 C ATOM 1612 H ILE A 106 23.328 13.168 31.830 1.00 0.00 H ATOM 1613 HA ILE A 106 20.609 12.554 31.121 1.00 0.00 H ATOM 1614 HB ILE A 106 21.918 14.397 30.228 1.00 0.00 H ATOM 1615 HG13 ILE A 106 19.899 13.263 29.021 1.00 0.00 H ATOM 1616 HG12 ILE A 106 21.066 12.787 27.853 1.00 0.00 H ATOM 1617 HG21 ILE A 106 23.477 14.051 28.394 1.00 0.00 H ATOM 1618 HG22 ILE A 106 24.042 13.406 29.953 1.00 0.00 H ATOM 1619 HG23 ILE A 106 23.418 12.300 28.706 1.00 0.00 H ATOM 1620 HD11 ILE A 106 19.994 14.844 27.209 1.00 0.00 H ATOM 1621 HD12 ILE A 106 20.516 15.617 28.725 1.00 0.00 H ATOM 1622 HD13 ILE A 106 21.725 15.124 27.515 1.00 0.00 H ATOM 1623 N ARG A 107 22.670 10.205 30.755 1.00 16.58 N ATOM 1624 CA ARG A 107 22.734 8.799 30.334 1.00 17.13 C ATOM 1625 C ARG A 107 21.563 8.002 30.845 1.00 20.36 C ATOM 1626 O ARG A 107 21.400 6.838 30.388 1.00 21.86 O ATOM 1627 CB ARG A 107 24.049 8.174 30.806 1.00 18.94 C ATOM 1628 CG ARG A 107 25.244 8.763 30.064 1.00 23.89 C ATOM 1629 CD ARG A 107 26.575 8.217 30.583 1.00 39.98 C ATOM 1630 NE ARG A 107 27.680 9.103 30.108 1.00 47.72 N ATOM 1631 CZ ARG A 107 27.578 10.434 30.252 1.00 67.00 C ATOM 1632 NH1 ARG A 107 27.041 10.943 31.367 1.00 74.07 N ATOM 1633 NH2 ARG A 107 28.000 11.263 29.310 1.00 64.71 N1+ ATOM 1634 H ARG A 107 23.338 10.585 31.410 1.00 0.00 H ATOM 1635 HA ARG A 107 22.716 8.769 29.245 1.00 0.00 H ATOM 1636 HB3 ARG A 107 24.017 7.096 30.645 1.00 0.00 H ATOM 1637 HB2 ARG A 107 24.167 8.343 31.876 1.00 0.00 H ATOM 1638 HG3 ARG A 107 25.234 9.848 30.164 1.00 0.00 H ATOM 1639 HG2 ARG A 107 25.153 8.545 29.000 1.00 0.00 H ATOM 1640 HD3 ARG A 107 26.728 7.208 30.199 1.00 0.00 H ATOM 1641 HD2 ARG A 107 26.562 8.205 31.673 1.00 0.00 H ATOM 1642 HE ARG A 107 28.502 8.703 29.679 1.00 0.00 H ATOM 1643 HH12 ARG A 107 26.963 11.944 31.479 1.00 0.00 H ATOM 1644 HH11 ARG A 107 26.714 10.326 32.097 1.00 0.00 H ATOM 1645 HH22 ARG A 107 27.913 12.261 29.440 1.00 0.00 H ATOM 1646 HH21 ARG A 107 28.409 10.898 28.462 1.00 0.00 H ATOM 1647 N ALA A 108 20.754 8.564 31.725 1.00 18.54 N ATOM 1648 CA ALA A 108 19.540 7.875 32.177 1.00 21.58 C ATOM 1649 C ALA A 108 18.661 7.479 31.007 1.00 18.41 C ATOM 1650 O ALA A 108 17.903 6.494 31.080 1.00 24.26 O ATOM 1651 CB ALA A 108 18.756 8.713 33.161 1.00 25.52 C ATOM 1652 H ALA A 108 20.968 9.479 32.095 1.00 0.00 H ATOM 1653 HA ALA A 108 19.846 6.962 32.687 1.00 0.00 H ATOM 1654 HB1 ALA A 108 17.864 8.169 33.473 1.00 0.00 H ATOM 1655 HB2 ALA A 108 19.375 8.925 34.033 1.00 0.00 H ATOM 1656 HB3 ALA A 108 18.463 9.650 32.688 1.00 0.00 H ATOM 1657 N TRP A 109 18.681 8.283 29.948 1.00 16.15 N ATOM 1658 CA TRP A 109 17.886 7.997 28.764 1.00 16.79 C ATOM 1659 C TRP A 109 18.719 7.206 27.743 1.00 15.57 C ATOM 1660 O TRP A 109 19.705 7.706 27.190 1.00 17.44 O ATOM 1661 CB TRP A 109 17.375 9.246 28.157 1.00 14.21 C ATOM 1662 CG TRP A 109 16.350 10.031 28.841 1.00 14.22 C ATOM 1663 CD1 TRP A 109 14.971 9.855 28.742 1.00 17.01 C ATOM 1664 CD2 TRP A 109 16.510 11.158 29.734 1.00 13.07 C ATOM 1665 NE1 TRP A 109 14.344 10.803 29.467 1.00 16.16 N ATOM 1666 CE2 TRP A 109 15.227 11.615 30.085 1.00 14.95 C ATOM 1667 CE3 TRP A 109 17.601 11.846 30.198 1.00 14.74 C ATOM 1668 CZ2 TRP A 109 15.036 12.719 30.937 1.00 16.94 C ATOM 1669 CZ3 TRP A 109 17.440 12.926 31.026 1.00 14.74 C ATOM 1670 CH2 TRP A 109 16.162 13.378 31.386 1.00 16.52 C ATOM 1671 H TRP A 109 19.257 9.113 29.955 1.00 0.00 H ATOM 1672 HA TRP A 109 17.034 7.385 29.061 1.00 0.00 H ATOM 1673 HB3 TRP A 109 17.039 9.034 27.142 1.00 0.00 H ATOM 1674 HB2 TRP A 109 18.218 9.895 27.921 1.00 0.00 H ATOM 1675 HD1 TRP A 109 14.571 9.048 28.147 1.00 0.00 H ATOM 1676 HE1 TRP A 109 13.335 10.834 29.493 1.00 0.00 H ATOM 1677 HE3 TRP A 109 18.596 11.538 29.911 1.00 0.00 H ATOM 1678 HZ2 TRP A 109 14.037 13.020 31.215 1.00 0.00 H ATOM 1679 HZ3 TRP A 109 18.305 13.444 31.413 1.00 0.00 H ATOM 1680 HH2 TRP A 109 16.062 14.248 32.019 1.00 0.00 H ATOM 1681 N VAL A 110 18.304 5.964 27.500 1.00 18.17 N ATOM 1682 CA VAL A 110 19.064 5.156 26.553 1.00 20.77 C ATOM 1683 C VAL A 110 19.133 5.780 25.187 1.00 18.43 C ATOM 1684 O VAL A 110 20.183 5.634 24.513 1.00 20.67 O ATOM 1685 CB VAL A 110 18.659 3.693 26.474 1.00 28.20 C ATOM 1686 CG1 VAL A 110 18.477 3.043 27.789 1.00 32.48 C ATOM 1687 CG2 VAL A 110 17.581 3.447 25.474 1.00 32.96 C ATOM 1688 H VAL A 110 17.483 5.605 27.967 1.00 0.00 H ATOM 1689 HA VAL A 110 20.088 5.156 26.926 1.00 0.00 H ATOM 1690 HB VAL A 110 19.533 3.197 26.051 1.00 0.00 H ATOM 1691 HG11 VAL A 110 18.189 2.002 27.643 1.00 0.00 H ATOM 1692 HG12 VAL A 110 19.411 3.086 28.349 1.00 0.00 H ATOM 1693 HG13 VAL A 110 17.696 3.561 28.346 1.00 0.00 H ATOM 1694 HG21 VAL A 110 17.332 2.386 25.461 1.00 0.00 H ATOM 1695 HG22 VAL A 110 16.696 4.024 25.744 1.00 0.00 H ATOM 1696 HG23 VAL A 110 17.925 3.751 24.486 1.00 0.00 H ATOM 1697 N ALA A 111 18.079 6.414 24.710 1.00 18.39 N ATOM 1698 CA ALA A 111 18.074 7.015 23.377 1.00 20.08 C ATOM 1699 C ALA A 111 19.195 8.030 23.224 1.00 17.47 C ATOM 1700 O ALA A 111 19.738 8.169 22.116 1.00 19.35 O ATOM 1701 CB ALA A 111 16.743 7.714 23.086 1.00 21.74 C ATOM 1702 H ALA A 111 17.242 6.495 25.270 1.00 0.00 H ATOM 1703 HA ALA A 111 18.219 6.225 22.640 1.00 0.00 H ATOM 1704 HB1 ALA A 111 16.772 8.150 22.088 1.00 0.00 H ATOM 1705 HB2 ALA A 111 15.931 6.989 23.142 1.00 0.00 H ATOM 1706 HB3 ALA A 111 16.577 8.501 23.821 1.00 0.00 H ATOM 1707 N TRP A 112 19.556 8.729 24.302 1.00 16.39 N ATOM 1708 CA TRP A 112 20.683 9.662 24.228 1.00 14.27 C ATOM 1709 C TRP A 112 21.986 8.915 23.966 1.00 14.94 C ATOM 1710 O TRP A 112 22.813 9.351 23.142 1.00 14.58 O ATOM 1711 CB TRP A 112 20.769 10.512 25.521 1.00 14.56 C ATOM 1712 CG TRP A 112 21.869 11.541 25.399 1.00 15.83 C ATOM 1713 CD1 TRP A 112 21.779 12.797 24.865 1.00 15.71 C ATOM 1714 CD2 TRP A 112 23.223 11.363 25.820 1.00 15.54 C ATOM 1715 NE1 TRP A 112 23.009 13.410 24.937 1.00 15.81 N ATOM 1716 CE2 TRP A 112 23.915 12.559 25.527 1.00 16.34 C ATOM 1717 CE3 TRP A 112 23.914 10.336 26.444 1.00 16.24 C ATOM 1718 CZ2 TRP A 112 25.259 12.715 25.822 1.00 19.60 C ATOM 1719 CZ3 TRP A 112 25.263 10.491 26.734 1.00 19.22 C ATOM 1720 CH2 TRP A 112 25.928 11.675 26.421 1.00 21.44 C ATOM 1721 H TRP A 112 19.052 8.615 25.170 1.00 0.00 H ATOM 1722 HA TRP A 112 20.507 10.338 23.391 1.00 0.00 H ATOM 1723 HB3 TRP A 112 20.974 9.861 26.371 1.00 0.00 H ATOM 1724 HB2 TRP A 112 19.817 11.016 25.688 1.00 0.00 H ATOM 1725 HD1 TRP A 112 20.836 13.152 24.475 1.00 0.00 H ATOM 1726 HE1 TRP A 112 23.127 14.348 24.582 1.00 0.00 H ATOM 1727 HE3 TRP A 112 23.403 9.420 26.702 1.00 0.00 H ATOM 1728 HZ2 TRP A 112 25.761 13.641 25.581 1.00 0.00 H ATOM 1729 HZ3 TRP A 112 25.809 9.689 27.208 1.00 0.00 H ATOM 1730 HH2 TRP A 112 26.978 11.771 26.653 1.00 0.00 H ATOM 1731 N ARG A 113 22.178 7.753 24.595 1.00 15.14 N ATOM 1732 CA ARG A 113 23.397 6.975 24.338 1.00 16.43 C ATOM 1733 C ARG A 113 23.433 6.502 22.894 1.00 17.09 C ATOM 1734 O ARG A 113 24.494 6.505 22.258 1.00 18.84 O ATOM 1735 CB ARG A 113 23.438 5.738 25.255 1.00 19.05 C ATOM 1736 CG ARG A 113 23.334 6.042 26.736 1.00 21.06 C ATOM 1737 CD ARG A 113 23.357 4.758 27.550 1.00 31.33 C ATOM 1738 NE ARG A 113 22.665 4.876 28.808 1.00 32.96 N ATOM 1739 CZ ARG A 113 22.269 3.883 29.564 1.00 39.44 C ATOM 1740 NH1 ARG A 113 22.526 2.618 29.189 1.00 48.10 N ATOM 1741 NH2 ARG A 113 21.629 4.127 30.695 1.00 49.31 N1+ ATOM 1742 H ARG A 113 21.486 7.411 25.246 1.00 0.00 H ATOM 1743 HA ARG A 113 24.270 7.598 24.535 1.00 0.00 H ATOM 1744 HB3 ARG A 113 24.354 5.178 25.065 1.00 0.00 H ATOM 1745 HB2 ARG A 113 22.640 5.052 24.971 1.00 0.00 H ATOM 1746 HG3 ARG A 113 22.406 6.579 26.932 1.00 0.00 H ATOM 1747 HG2 ARG A 113 24.168 6.677 27.036 1.00 0.00 H ATOM 1748 HD3 ARG A 113 24.390 4.463 27.732 1.00 0.00 H ATOM 1749 HD2 ARG A 113 22.913 3.952 26.967 1.00 0.00 H ATOM 1750 HE ARG A 113 22.491 5.829 29.094 1.00 0.00 H ATOM 1751 HH12 ARG A 113 22.223 1.848 29.768 1.00 0.00 H ATOM 1752 HH11 ARG A 113 23.022 2.437 28.328 1.00 0.00 H ATOM 1753 HH22 ARG A 113 21.324 3.361 31.278 1.00 0.00 H ATOM 1754 HH21 ARG A 113 21.445 5.080 30.976 1.00 0.00 H ATOM 1755 N ASN A 114 22.283 6.038 22.378 1.00 15.91 N ATOM 1756 CA ASN A 114 22.246 5.518 21.030 1.00 17.99 C ATOM 1757 C ASN A 114 22.382 6.576 19.943 1.00 15.89 C ATOM 1758 O ASN A 114 23.011 6.320 18.926 1.00 20.21 O ATOM 1759 CB ASN A 114 20.939 4.758 20.742 1.00 22.77 C ATOM 1760 CG ASN A 114 20.619 3.644 21.688 1.00 26.98 C ATOM 1761 OD1 ASN A 114 21.335 3.210 22.532 1.00 28.93 O ATOM 1762 ND2 ASN A 114 19.339 3.202 21.546 1.00 33.78 N ATOM 1763 H ASN A 114 21.439 6.051 22.933 1.00 0.00 H ATOM 1764 HA ASN A 114 23.073 4.816 20.919 1.00 0.00 H ATOM 1765 HB3 ASN A 114 20.965 4.369 19.724 1.00 0.00 H ATOM 1766 HB2 ASN A 114 20.109 5.464 20.723 1.00 0.00 H ATOM 1767 HD22 ASN A 114 18.997 2.450 22.128 1.00 0.00 H ATOM 1768 HD21 ASN A 114 18.732 3.626 20.859 1.00 0.00 H ATOM 1769 N ARG A 115 21.724 7.748 20.133 1.00 16.64 N ATOM 1770 CA ARG A 115 21.611 8.718 19.070 1.00 17.38 C ATOM 1771 C ARG A 115 22.443 9.979 19.203 1.00 17.46 C ATOM 1772 O ARG A 115 22.536 10.754 18.223 1.00 20.36 O ATOM 1773 CB ARG A 115 20.124 9.144 19.001 1.00 18.38 C ATOM 1774 CG ARG A 115 19.165 8.021 18.737 1.00 24.94 C ATOM 1775 CD ARG A 115 19.052 7.770 17.230 1.00 30.28 C ATOM 1776 NE ARG A 115 18.018 6.713 17.049 1.00 32.22 N ATOM 1777 CZ ARG A 115 17.715 6.302 15.822 1.00 32.89 C ATOM 1778 NH1 ARG A 115 18.261 6.977 14.815 1.00 35.05 N ATOM 1779 NH2 ARG A 115 16.913 5.291 15.653 1.00 36.35 N1+ ATOM 1780 H ARG A 115 21.304 7.952 21.029 1.00 0.00 H ATOM 1781 HA ARG A 115 21.873 8.231 18.131 1.00 0.00 H ATOM 1782 HB3 ARG A 115 20.003 9.910 18.235 1.00 0.00 H ATOM 1783 HB2 ARG A 115 19.848 9.643 19.930 1.00 0.00 H ATOM 1784 HG3 ARG A 115 18.184 8.280 19.137 1.00 0.00 H ATOM 1785 HG2 ARG A 115 19.521 7.116 19.230 1.00 0.00 H ATOM 1786 HD3 ARG A 115 20.008 7.411 16.850 1.00 0.00 H ATOM 1787 HD2 ARG A 115 18.726 8.684 16.734 1.00 0.00 H ATOM 1788 HE ARG A 115 17.549 6.309 17.847 1.00 0.00 H ATOM 1789 HH12 ARG A 115 18.065 6.708 13.861 1.00 0.00 H ATOM 1790 HH11 ARG A 115 18.872 7.759 15.004 1.00 0.00 H ATOM 1791 HH22 ARG A 115 16.683 4.979 14.720 1.00 0.00 H ATOM 1792 HH21 ARG A 115 16.520 4.818 16.455 1.00 0.00 H ATOM 1793 N CYS A 116 22.938 10.276 20.386 1.00 15.08 N ATOM 1794 CA CYS A 116 23.530 11.545 20.690 1.00 14.67 C ATOM 1795 C CYS A 116 24.960 11.478 21.200 1.00 16.40 C ATOM 1796 O CYS A 116 25.784 12.341 20.865 1.00 18.54 O ATOM 1797 CB CYS A 116 22.688 12.315 21.712 1.00 14.17 C ATOM 1798 SG CYS A 116 20.914 12.467 21.292 1.00 14.27 S ATOM 1799 H CYS A 116 22.911 9.594 21.130 1.00 0.00 H ATOM 1800 HA CYS A 116 23.539 12.129 19.770 1.00 0.00 H ATOM 1801 HB3 CYS A 116 23.112 13.309 21.852 1.00 0.00 H ATOM 1802 HB2 CYS A 116 22.788 11.844 22.690 1.00 0.00 H ATOM 1803 N GLN A 117 25.238 10.534 22.088 1.00 16.23 N ATOM 1804 CA GLN A 117 26.555 10.446 22.718 1.00 18.20 C ATOM 1805 C GLN A 117 27.655 10.264 21.686 1.00 20.42 C ATOM 1806 O GLN A 117 27.518 9.436 20.784 1.00 20.59 O ATOM 1807 CB GLN A 117 26.575 9.254 23.679 1.00 19.87 C ATOM 1808 CG GLN A 117 27.882 9.048 24.401 1.00 23.21 C ATOM 1809 CD GLN A 117 27.774 8.034 25.535 1.00 24.24 C ATOM 1810 OE1 GLN A 117 28.650 8.176 26.521 1.00 33.47 O ATOM 1811 NE2 GLN A 117 26.944 7.161 25.523 1.00 37.16 N ATOM 1812 H GLN A 117 24.533 9.856 22.342 1.00 0.00 H ATOM 1813 HA GLN A 117 26.742 11.360 23.281 1.00 0.00 H ATOM 1814 HB3 GLN A 117 26.317 8.346 23.133 1.00 0.00 H ATOM 1815 HB2 GLN A 117 25.773 9.366 24.409 1.00 0.00 H ATOM 1816 HG3 GLN A 117 28.230 10.001 24.799 1.00 0.00 H ATOM 1817 HG2 GLN A 117 28.640 8.718 23.691 1.00 0.00 H ATOM 1818 HE22 GLN A 117 26.893 6.502 26.287 1.00 0.00 H ATOM 1819 HE21 GLN A 117 26.299 7.088 24.749 1.00 0.00 H ATOM 1820 N ASN A 118 28.773 10.962 21.869 1.00 23.71 N ATOM 1821 CA ASN A 118 29.903 10.776 20.985 1.00 28.55 C ATOM 1822 C ASN A 118 29.575 11.078 19.545 1.00 27.64 C ATOM 1823 O ASN A 118 30.234 10.565 18.634 1.00 33.21 O ATOM 1824 CB ASN A 118 30.529 9.378 21.108 1.00 34.02 C ATOM 1825 CG ASN A 118 31.004 9.059 22.511 1.00 36.99 C ATOM 1826 OD1 ASN A 118 31.633 9.884 23.158 1.00 41.09 O ATOM 1827 ND2 ASN A 118 30.686 7.858 23.001 1.00 45.69 N ATOM 1828 H ASN A 118 28.836 11.625 22.628 1.00 0.00 H ATOM 1829 HA ASN A 118 30.666 11.492 21.292 1.00 0.00 H ATOM 1830 HB3 ASN A 118 31.366 9.294 20.415 1.00 0.00 H ATOM 1831 HB2 ASN A 118 29.804 8.628 20.792 1.00 0.00 H ATOM 1832 HD22 ASN A 118 30.980 7.598 23.932 1.00 0.00 H ATOM 1833 HD21 ASN A 118 30.152 7.209 22.441 1.00 0.00 H ATOM 1834 N ARG A 119 28.617 11.950 19.311 1.00 26.95 N ATOM 1835 CA ARG A 119 28.268 12.385 17.970 1.00 29.41 C ATOM 1836 C ARG A 119 28.265 13.942 17.931 1.00 27.46 C ATOM 1837 O ARG A 119 28.129 14.584 18.952 1.00 28.03 O ATOM 1838 CB ARG A 119 26.826 11.979 17.612 1.00 27.29 C ATOM 1839 CG ARG A 119 26.624 10.524 17.340 1.00 29.07 C ATOM 1840 CD ARG A 119 25.240 10.265 16.745 1.00 33.27 C ATOM 1841 NE ARG A 119 24.901 8.847 16.957 1.00 34.40 N ATOM 1842 CZ ARG A 119 24.463 8.073 15.970 1.00 33.71 C ATOM 1843 NH1 ARG A 119 24.571 8.434 14.724 1.00 39.46 N ATOM 1844 NH2 ARG A 119 23.981 6.895 16.302 1.00 32.31 N1+ ATOM 1845 H ARG A 119 28.093 12.343 20.080 1.00 0.00 H ATOM 1846 HA ARG A 119 28.972 11.984 17.241 1.00 0.00 H ATOM 1847 HB3 ARG A 119 26.493 12.557 16.750 1.00 0.00 H ATOM 1848 HB2 ARG A 119 26.154 12.293 18.411 1.00 0.00 H ATOM 1849 HG3 ARG A 119 26.731 9.963 18.268 1.00 0.00 H ATOM 1850 HG2 ARG A 119 27.389 10.175 16.646 1.00 0.00 H ATOM 1851 HD3 ARG A 119 25.259 10.478 15.676 1.00 0.00 H ATOM 1852 HD2 ARG A 119 24.505 10.893 17.249 1.00 0.00 H ATOM 1853 HE ARG A 119 25.010 8.467 17.886 1.00 0.00 H ATOM 1854 HH12 ARG A 119 24.230 7.828 13.991 1.00 0.00 H ATOM 1855 HH11 ARG A 119 24.995 9.320 14.490 1.00 0.00 H ATOM 1856 HH22 ARG A 119 23.636 6.271 15.587 1.00 0.00 H ATOM 1857 HH21 ARG A 119 23.956 6.615 17.272 1.00 0.00 H ATOM 1858 N ASP A 120 28.337 14.437 16.715 1.00 30.41 N ATOM 1859 CA ASP A 120 28.271 15.903 16.516 1.00 27.35 C ATOM 1860 C ASP A 120 26.789 16.271 16.649 1.00 25.50 C ATOM 1861 O ASP A 120 26.003 15.786 15.837 1.00 30.21 O ATOM 1862 CB ASP A 120 28.684 16.101 15.013 1.00 31.42 C ATOM 1863 CG ASP A 120 28.893 17.572 14.722 1.00 38.14 C ATOM 1864 OD1 ASP A 120 28.414 18.386 15.568 1.00 41.12 O ATOM 1865 OD2 ASP A 120 29.379 17.905 13.645 1.00 34.42 O1- ATOM 1866 H ASP A 120 28.437 13.818 15.923 1.00 0.00 H ATOM 1867 HA ASP A 120 28.909 16.454 17.207 1.00 0.00 H ATOM 1868 HB3 ASP A 120 27.898 15.711 14.366 1.00 0.00 H ATOM 1869 HB2 ASP A 120 29.608 15.557 14.816 1.00 0.00 H ATOM 1870 N VAL A 121 26.432 17.026 17.687 1.00 22.52 N ATOM 1871 CA VAL A 121 25.045 17.377 17.914 1.00 21.13 C ATOM 1872 C VAL A 121 24.753 18.841 17.679 1.00 22.32 C ATOM 1873 O VAL A 121 23.663 19.328 17.944 1.00 18.74 O ATOM 1874 CB VAL A 121 24.536 16.935 19.292 1.00 22.58 C ATOM 1875 CG1 VAL A 121 24.511 15.422 19.415 1.00 30.69 C ATOM 1876 CG2 VAL A 121 25.292 17.595 20.419 1.00 25.84 C ATOM 1877 H VAL A 121 27.133 17.363 18.331 1.00 0.00 H ATOM 1878 HA VAL A 121 24.462 16.824 17.178 1.00 0.00 H ATOM 1879 HB VAL A 121 23.502 17.273 19.368 1.00 0.00 H ATOM 1880 HG11 VAL A 121 24.145 15.143 20.403 1.00 0.00 H ATOM 1881 HG12 VAL A 121 23.851 15.006 18.654 1.00 0.00 H ATOM 1882 HG13 VAL A 121 25.518 15.029 19.277 1.00 0.00 H ATOM 1883 HG21 VAL A 121 24.895 17.250 21.374 1.00 0.00 H ATOM 1884 HG22 VAL A 121 26.348 17.335 20.350 1.00 0.00 H ATOM 1885 HG23 VAL A 121 25.179 18.677 20.348 1.00 0.00 H ATOM 1886 N ARG A 122 25.745 19.598 17.192 1.00 27.46 N ATOM 1887 CA ARG A 122 25.526 21.038 16.940 1.00 27.65 C ATOM 1888 C ARG A 122 24.386 21.297 15.984 1.00 24.97 C ATOM 1889 O ARG A 122 23.764 22.376 16.020 1.00 25.46 O ATOM 1890 CB ARG A 122 26.825 21.689 16.496 1.00 29.85 C ATOM 1891 CG ARG A 122 26.907 21.967 15.006 1.00 34.26 C ATOM 1892 CD ARG A 122 27.758 23.200 14.705 1.00 33.83 C ATOM 1893 NE ARG A 122 29.183 22.837 14.658 1.00 37.37 N ATOM 1894 CZ ARG A 122 29.698 21.896 15.457 1.00 37.41 C ATOM 1895 NH1 ARG A 122 29.552 22.016 16.772 1.00 44.26 N ATOM 1896 NH2 ARG A 122 30.334 20.870 14.935 1.00 43.88 N1+ ATOM 1897 H ARG A 122 26.646 19.185 16.996 1.00 0.00 H ATOM 1898 HA ARG A 122 25.252 21.490 17.893 1.00 0.00 H ATOM 1899 HB3 ARG A 122 27.664 21.060 16.793 1.00 0.00 H ATOM 1900 HB2 ARG A 122 26.969 22.619 17.045 1.00 0.00 H ATOM 1901 HG3 ARG A 122 25.903 22.114 14.609 1.00 0.00 H ATOM 1902 HG2 ARG A 122 27.331 21.101 14.498 1.00 0.00 H ATOM 1903 HD3 ARG A 122 27.600 23.949 15.481 1.00 0.00 H ATOM 1904 HD2 ARG A 122 27.459 23.622 13.746 1.00 0.00 H ATOM 1905 HE ARG A 122 29.777 23.320 13.999 1.00 0.00 H ATOM 1906 HH12 ARG A 122 29.935 21.314 17.389 1.00 0.00 H ATOM 1907 HH11 ARG A 122 29.058 22.809 17.155 1.00 0.00 H ATOM 1908 HH22 ARG A 122 30.724 20.158 15.536 1.00 0.00 H ATOM 1909 HH21 ARG A 122 30.433 20.794 13.933 1.00 0.00 H ATOM 1910 N GLN A 123 24.047 20.371 15.095 1.00 26.01 N ATOM 1911 CA GLN A 123 22.995 20.582 14.121 1.00 28.19 C ATOM 1912 C GLN A 123 21.676 20.993 14.728 1.00 24.96 C ATOM 1913 O GLN A 123 20.892 21.751 14.172 1.00 26.43 O ATOM 1914 CB GLN A 123 22.800 19.339 13.215 1.00 33.36 C ATOM 1915 CG GLN A 123 22.096 18.179 13.899 1.00 45.52 C ATOM 1916 CD GLN A 123 22.122 16.888 13.113 1.00 48.33 C ATOM 1917 OE1 GLN A 123 22.654 15.854 13.556 1.00 50.12 O ATOM 1918 NE2 GLN A 123 21.457 16.882 11.959 1.00 61.45 N ATOM 1919 H GLN A 123 24.528 19.483 15.082 1.00 0.00 H ATOM 1920 HA GLN A 123 23.317 21.399 13.476 1.00 0.00 H ATOM 1921 HB3 GLN A 123 23.770 19.006 12.845 1.00 0.00 H ATOM 1922 HB2 GLN A 123 22.242 19.625 12.324 1.00 0.00 H ATOM 1923 HG3 GLN A 123 21.062 18.455 14.106 1.00 0.00 H ATOM 1924 HG2 GLN A 123 22.542 18.014 14.880 1.00 0.00 H ATOM 1925 HE22 GLN A 123 21.439 16.047 11.391 1.00 0.00 H ATOM 1926 HE21 GLN A 123 20.971 17.712 11.652 1.00 0.00 H ATOM 1927 N TYR A 124 21.392 20.453 15.914 1.00 21.23 N ATOM 1928 CA TYR A 124 20.128 20.668 16.556 1.00 20.57 C ATOM 1929 C TYR A 124 19.838 22.083 16.972 1.00 17.27 C ATOM 1930 O TYR A 124 18.682 22.504 17.083 1.00 19.70 O ATOM 1931 CB TYR A 124 19.866 19.675 17.698 1.00 20.32 C ATOM 1932 CG TYR A 124 19.956 18.240 17.252 1.00 17.15 C ATOM 1933 CD1 TYR A 124 18.931 17.651 16.526 1.00 23.75 C ATOM 1934 CD2 TYR A 124 21.052 17.469 17.525 1.00 19.77 C ATOM 1935 CE1 TYR A 124 19.014 16.340 16.128 1.00 24.75 C ATOM 1936 CE2 TYR A 124 21.154 16.156 17.104 1.00 21.05 C ATOM 1937 CZ TYR A 124 20.139 15.600 16.380 1.00 20.92 C ATOM 1938 OH TYR A 124 20.208 14.293 15.960 1.00 25.52 O ATOM 1939 H TYR A 124 22.076 19.876 16.383 1.00 0.00 H ATOM 1940 HA TYR A 124 19.380 20.435 15.798 1.00 0.00 H ATOM 1941 HB3 TYR A 124 18.879 19.862 18.121 1.00 0.00 H ATOM 1942 HB2 TYR A 124 20.581 19.850 18.502 1.00 0.00 H ATOM 1943 HD1 TYR A 124 18.054 18.225 16.267 1.00 0.00 H ATOM 1944 HD2 TYR A 124 21.876 17.882 18.087 1.00 0.00 H ATOM 1945 HE1 TYR A 124 18.186 15.880 15.609 1.00 0.00 H ATOM 1946 HE2 TYR A 124 22.033 15.577 17.348 1.00 0.00 H ATOM 1947 HH TYR A 124 21.072 13.933 16.173 1.00 0.00 H ATOM 1948 N VAL A 125 20.875 22.903 17.184 1.00 19.87 N ATOM 1949 CA VAL A 125 20.653 24.286 17.603 1.00 19.04 C ATOM 1950 C VAL A 125 21.089 25.301 16.589 1.00 21.10 C ATOM 1951 O VAL A 125 20.972 26.505 16.789 1.00 21.37 O ATOM 1952 CB VAL A 125 21.334 24.602 18.940 1.00 21.60 C ATOM 1953 CG1 VAL A 125 20.711 23.783 20.063 1.00 23.75 C ATOM 1954 CG2 VAL A 125 22.843 24.340 18.834 1.00 24.99 C ATOM 1955 H VAL A 125 21.819 22.567 17.055 1.00 0.00 H ATOM 1956 HA VAL A 125 19.580 24.413 17.748 1.00 0.00 H ATOM 1957 HB VAL A 125 21.183 25.659 19.161 1.00 0.00 H ATOM 1958 HG11 VAL A 125 21.207 24.020 21.004 1.00 0.00 H ATOM 1959 HG12 VAL A 125 19.650 24.021 20.141 1.00 0.00 H ATOM 1960 HG13 VAL A 125 20.830 22.721 19.848 1.00 0.00 H ATOM 1961 HG21 VAL A 125 23.320 24.567 19.788 1.00 0.00 H ATOM 1962 HG22 VAL A 125 23.014 23.293 18.583 1.00 0.00 H ATOM 1963 HG23 VAL A 125 23.269 24.974 18.056 1.00 0.00 H ATOM 1964 N GLN A 126 21.670 24.853 15.477 1.00 23.38 N ATOM 1965 CA GLN A 126 22.168 25.843 14.522 1.00 29.06 C ATOM 1966 C GLN A 126 21.097 26.730 13.956 1.00 27.13 C ATOM 1967 O GLN A 126 20.009 26.269 13.571 1.00 27.14 O ATOM 1968 CB GLN A 126 22.930 25.109 13.409 1.00 31.28 C ATOM 1969 CG GLN A 126 22.032 24.320 12.467 1.00 33.72 C ATOM 1970 CD GLN A 126 22.551 24.371 11.034 1.00 47.22 C ATOM 1971 OE1 GLN A 126 22.999 23.359 10.498 1.00 45.69 O ATOM 1972 NE2 GLN A 126 22.499 25.549 10.433 1.00 49.55 N ATOM 1973 H GLN A 126 21.755 23.859 15.316 1.00 0.00 H ATOM 1974 HA GLN A 126 22.881 26.479 15.047 1.00 0.00 H ATOM 1975 HB3 GLN A 126 23.664 24.438 13.855 1.00 0.00 H ATOM 1976 HB2 GLN A 126 23.513 25.829 12.834 1.00 0.00 H ATOM 1977 HG3 GLN A 126 21.022 24.728 12.502 1.00 0.00 H ATOM 1978 HG2 GLN A 126 21.981 23.283 12.798 1.00 0.00 H ATOM 1979 HE22 GLN A 126 22.828 25.646 9.483 1.00 0.00 H ATOM 1980 HE21 GLN A 126 22.130 26.351 10.924 1.00 0.00 H ATOM 1981 N GLY A 127 21.345 28.025 13.895 1.00 25.06 N ATOM 1982 CA GLY A 127 20.435 28.999 13.360 1.00 25.33 C ATOM 1983 C GLY A 127 19.323 29.437 14.270 1.00 23.89 C ATOM 1984 O GLY A 127 18.416 30.207 13.897 1.00 25.63 O ATOM 1985 H GLY A 127 22.223 28.388 14.238 1.00 0.00 H ATOM 1986 HA3 GLY A 127 20.011 28.621 12.430 1.00 0.00 H ATOM 1987 HA2 GLY A 127 20.997 29.874 13.032 1.00 0.00 H ATOM 1988 N CYS A 128 19.300 28.961 15.517 1.00 20.90 N ATOM 1989 CA CYS A 128 18.232 29.252 16.417 1.00 20.37 C ATOM 1990 C CYS A 128 18.392 30.491 17.276 1.00 21.95 C ATOM 1991 O CYS A 128 17.399 30.854 17.942 1.00 24.45 O ATOM 1992 CB CYS A 128 17.930 28.058 17.339 1.00 18.95 C ATOM 1993 SG CYS A 128 17.486 26.553 16.474 1.00 17.57 S ATOM 1994 H CYS A 128 20.054 28.376 15.848 1.00 0.00 H ATOM 1995 HA CYS A 128 17.343 29.408 15.806 1.00 0.00 H ATOM 1996 HB3 CYS A 128 17.130 28.328 18.029 1.00 0.00 H ATOM 1997 HB2 CYS A 128 18.793 27.867 17.977 1.00 0.00 H ATOM 1998 N GLY A 129 19.543 31.136 17.299 1.00 27.29 N ATOM 1999 CA GLY A 129 19.745 32.333 18.100 1.00 29.29 C ATOM 2000 C GLY A 129 20.031 32.063 19.557 1.00 28.62 C ATOM 2001 O GLY A 129 19.735 32.888 20.422 1.00 38.50 O ATOM 2002 H GLY A 129 20.321 30.801 16.748 1.00 0.00 H ATOM 2003 HA3 GLY A 129 18.868 32.975 18.017 1.00 0.00 H ATOM 2004 HA2 GLY A 129 20.560 32.919 17.675 1.00 0.00 H ATOM 2005 N VAL A 130 20.550 30.871 19.875 1.00 24.90 N ATOM 2006 CA VAL A 130 20.820 30.483 21.233 1.00 25.27 C ATOM 2007 C VAL A 130 22.283 30.274 21.545 1.00 33.46 C ATOM 2008 O VAL A 130 22.600 29.911 22.668 1.00 31.44 O ATOM 2009 CB VAL A 130 20.077 29.191 21.625 1.00 25.35 C ATOM 2010 CG1 VAL A 130 18.586 29.378 21.607 1.00 27.59 C ATOM 2011 CG2 VAL A 130 20.529 28.039 20.711 1.00 26.59 C ATOM 2012 OXT VAL A 130 22.912 30.451 20.615 1.00 47.97 O1- ATOM 2013 H VAL A 130 20.767 30.205 19.148 1.00 0.00 H ATOM 2014 HA VAL A 130 20.457 31.281 21.881 1.00 0.00 H ATOM 2015 HB VAL A 130 20.367 28.938 22.645 1.00 0.00 H ATOM 2016 HG11 VAL A 130 18.099 28.445 21.889 1.00 0.00 H ATOM 2017 HG12 VAL A 130 18.309 30.160 22.314 1.00 0.00 H ATOM 2018 HG13 VAL A 130 18.267 29.665 20.605 1.00 0.00 H ATOM 2019 HG21 VAL A 130 20.003 27.126 20.989 1.00 0.00 H ATOM 2020 HG22 VAL A 130 20.302 28.287 19.674 1.00 0.00 H ATOM 2021 HG23 VAL A 130 21.603 27.887 20.821 1.00 0.00 H CONECT 105 1993 CONECT 490 1798 CONECT 1041 1248 CONECT 1191 1437 CONECT 1248 1041 CONECT 1437 1191 CONECT 1798 490 CONECT 1993 105 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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