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*** HYDROLASE 01-APR-22 7XF6 ***elNémo ID: 2407290632521908234Job options:ID = 2407290632521908234 JOBID = HYDROLASE 01-APR-22 7XF6 USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER HYDROLASE 01-APR-22 7XF6 REMARK 4 7XF6 COMPLIES WITH FORMAT V. 3.30, REMARK 888 REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) TITLE CRYSTAL STRUCTURE OF HUMAN LYSOZYME EXPDTA X-RAY DIFFRACTION REMARK 2 RESOLUTION. 1.30 ANGSTROMS REMARK 3 R VALUE : 0.151000 REMARK 3 FREE R VALUE : 0.171000 REMARK 200 TEMPERATURE (KELVIN) : 100.00 REMARK 200 PH : NULL REMARK 350 BIOMOLECULE: 1 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.000000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.000000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.000000 CRYST1 33.035 56.062 61.063 90.00 90.00 90.00 P 21 21 21 4 MODEL 1 ATOM 1 N LYS A 19 -10.534 -0.785 10.851 1.00 10.27 N1+ ATOM 2 CA LYS A 19 -11.765 -1.273 10.206 1.00 10.95 C ATOM 3 C LYS A 19 -12.283 -2.535 10.901 1.00 9.75 C ATOM 4 O LYS A 19 -11.495 -3.296 11.458 1.00 10.02 O ATOM 5 CB LYS A 19 -11.553 -1.536 8.695 1.00 11.54 C ATOM 6 CG LYS A 19 -10.600 -2.704 8.343 1.00 11.02 C ATOM 7 CD LYS A 19 -10.534 -3.020 6.841 1.00 14.03 C ATOM 8 CE LYS A 19 -11.801 -3.714 6.314 1.00 13.31 C ATOM 9 NZ LYS A 19 -11.623 -4.176 4.928 1.00 14.37 N1+ ATOM 10 HA LYS A 19 -12.510 -0.484 10.319 1.00 13.14 H ATOM 11 HB2 LYS A 19 -12.529 -1.728 8.249 1.00 13.84 H ATOM 12 HB3 LYS A 19 -11.194 -0.623 8.218 1.00 13.84 H ATOM 13 HG2 LYS A 19 -9.601 -2.460 8.700 1.00 13.22 H ATOM 14 HG3 LYS A 19 -10.880 -3.619 8.863 1.00 13.22 H ATOM 15 HD2 LYS A 19 -10.338 -2.110 6.274 1.00 16.84 H ATOM 16 HD3 LYS A 19 -9.677 -3.674 6.672 1.00 16.84 H ATOM 17 HE2 LYS A 19 -12.051 -4.574 6.935 1.00 15.98 H ATOM 18 HE3 LYS A 19 -12.655 -3.038 6.349 1.00 15.98 H ATOM 19 HZ1 LYS A 19 -12.475 -4.612 4.604 1.00 17.25 H ATOM 20 HZ2 LYS A 19 -11.402 -3.390 4.334 1.00 17.25 H ATOM 21 HZ3 LYS A 19 -10.869 -4.847 4.892 1.00 17.25 H ATOM 22 H1 LYS A 19 -10.105 -0.050 10.301 1.00 0.00 H ATOM 23 H2 LYS A 19 -10.744 -0.444 11.777 1.00 0.00 H ATOM 24 H3 LYS A 19 -9.873 -1.548 10.930 1.00 0.00 H ATOM 25 N VAL A 20 -13.592 -2.793 10.771 1.00 9.28 N ATOM 26 CA VAL A 20 -14.204 -4.099 11.005 1.00 10.27 C ATOM 27 C VAL A 20 -14.415 -4.716 9.613 1.00 10.05 C ATOM 28 O VAL A 20 -15.060 -4.106 8.758 1.00 10.27 O ATOM 29 CB VAL A 20 -15.562 -3.925 11.739 1.00 11.16 C ATOM 30 CG1 VAL A 20 -16.262 -5.275 11.999 1.00 11.81 C ATOM 31 CG2 VAL A 20 -15.399 -3.179 13.076 1.00 13.16 C ATOM 32 H VAL A 20 -14.168 -2.113 10.297 1.00 11.14 H ATOM 33 HA VAL A 20 -13.558 -4.743 11.597 1.00 12.33 H ATOM 34 HB VAL A 20 -16.227 -3.324 11.116 1.00 13.40 H ATOM 35 HG11 VAL A 20 -17.187 -5.138 12.560 1.00 14.18 H ATOM 36 HG12 VAL A 20 -16.528 -5.785 11.073 1.00 14.18 H ATOM 37 HG13 VAL A 20 -15.624 -5.946 12.576 1.00 14.18 H ATOM 38 HG21 VAL A 20 -16.358 -3.062 13.581 1.00 15.80 H ATOM 39 HG22 VAL A 20 -14.739 -3.726 13.747 1.00 15.80 H ATOM 40 HG23 VAL A 20 -14.984 -2.180 12.942 1.00 15.80 H ATOM 41 N PHE A 21 -13.880 -5.927 9.394 1.00 10.00 N ATOM 42 CA PHE A 21 -14.090 -6.699 8.170 1.00 9.20 C ATOM 43 C PHE A 21 -15.429 -7.448 8.239 1.00 8.58 C ATOM 44 O PHE A 21 -15.852 -7.897 9.306 1.00 10.43 O ATOM 45 CB PHE A 21 -13.004 -7.789 8.034 1.00 10.08 C ATOM 46 CG PHE A 21 -11.657 -7.360 7.491 1.00 8.38 C ATOM 47 CD1 PHE A 21 -10.695 -6.780 8.342 1.00 8.92 C ATOM 48 CD2 PHE A 21 -11.338 -7.606 6.137 1.00 10.07 C ATOM 49 CE1 PHE A 21 -9.420 -6.455 7.840 1.00 9.52 C ATOM 50 CE2 PHE A 21 -10.062 -7.280 5.639 1.00 10.00 C ATOM 51 CZ PHE A 21 -9.101 -6.706 6.493 1.00 11.80 C ATOM 52 H PHE A 21 -13.359 -6.368 10.141 1.00 12.00 H ATOM 53 HA PHE A 21 -14.076 -6.050 7.292 1.00 11.04 H ATOM 54 HB2 PHE A 21 -12.842 -8.300 8.981 1.00 12.10 H ATOM 55 HB3 PHE A 21 -13.366 -8.556 7.350 1.00 12.10 H ATOM 56 HD1 PHE A 21 -10.925 -6.597 9.382 1.00 10.70 H ATOM 57 HD2 PHE A 21 -12.062 -8.064 5.479 1.00 12.09 H ATOM 58 HE1 PHE A 21 -8.680 -6.019 8.489 1.00 11.42 H ATOM 59 HE2 PHE A 21 -9.819 -7.478 4.606 1.00 12.00 H ATOM 60 HZ PHE A 21 -8.119 -6.458 6.116 1.00 14.16 H ATOM 61 N GLU A 22 -16.035 -7.658 7.060 1.00 9.98 N ATOM 62 CA GLU A 22 -17.063 -8.667 6.818 1.00 10.99 C ATOM 63 C GLU A 22 -16.377 -10.047 6.783 1.00 10.37 C ATOM 64 O GLU A 22 -15.266 -10.169 6.263 1.00 10.91 O ATOM 65 CB GLU A 22 -17.755 -8.327 5.473 1.00 13.49 C ATOM 66 CG GLU A 22 -18.947 -9.225 5.059 1.00 25.96 C ATOM 67 CD GLU A 22 -18.564 -10.534 4.362 1.00 19.10 C ATOM 68 OE1 GLU A 22 -17.736 -10.473 3.426 1.00 14.40 O ATOM 69 OE2 GLU A 22 -19.084 -11.584 4.796 1.00 16.01 O1- ATOM 70 H GLU A 22 -15.621 -7.241 6.239 1.00 11.98 H ATOM 71 HA GLU A 22 -17.800 -8.636 7.623 1.00 13.19 H ATOM 72 HB2 GLU A 22 -18.131 -7.305 5.541 1.00 16.19 H ATOM 73 HB3 GLU A 22 -17.014 -8.299 4.672 1.00 16.19 H ATOM 74 HG2 GLU A 22 -19.580 -9.432 5.923 1.00 31.16 H ATOM 75 HG3 GLU A 22 -19.572 -8.674 4.355 1.00 31.16 H ATOM 76 N ARG A 23 -17.050 -11.062 7.354 1.00 9.96 N ATOM 77 CA ARG A 23 -16.634 -12.460 7.509 1.00 9.81 C ATOM 78 C ARG A 23 -15.883 -13.066 6.311 1.00 8.57 C ATOM 79 O ARG A 23 -14.736 -13.491 6.445 1.00 9.05 O ATOM 80 CB ARG A 23 -17.857 -13.295 7.952 1.00 10.50 C ATOM 81 CG ARG A 23 -17.607 -14.808 8.126 1.00 9.40 C ATOM 82 CD ARG A 23 -18.871 -15.574 8.540 1.00 10.25 C ATOM 83 NE ARG A 23 -19.833 -15.664 7.431 1.00 12.06 N ATOM 84 CZ ARG A 23 -19.865 -16.616 6.482 1.00 10.26 C ATOM 85 NH1 ARG A 23 -18.964 -17.606 6.449 1.00 11.28 N ATOM 86 NH2 ARG A 23 -20.813 -16.576 5.538 1.00 13.53 N1+ ATOM 87 H ARG A 23 -17.959 -10.837 7.730 1.00 11.96 H ATOM 88 HA ARG A 23 -15.927 -12.462 8.341 1.00 11.77 H ATOM 89 HB2 ARG A 23 -18.240 -12.892 8.890 1.00 12.60 H ATOM 90 HB3 ARG A 23 -18.655 -13.154 7.222 1.00 12.60 H ATOM 91 HG2 ARG A 23 -17.226 -15.248 7.204 1.00 11.28 H ATOM 92 HG3 ARG A 23 -16.832 -14.963 8.877 1.00 11.28 H ATOM 93 HD2 ARG A 23 -18.616 -16.578 8.875 1.00 12.30 H ATOM 94 HD3 ARG A 23 -19.349 -15.082 9.388 1.00 12.30 H ATOM 95 HE ARG A 23 -20.509 -14.916 7.377 1.00 14.48 H ATOM 96 HH11 ARG A 23 -18.229 -17.650 7.138 1.00 13.54 H ATOM 97 HH12 ARG A 23 -18.999 -18.292 5.705 1.00 13.54 H ATOM 98 HH21 ARG A 23 -21.499 -15.837 5.525 1.00 16.24 H ATOM 99 HH22 ARG A 23 -20.825 -17.279 4.810 1.00 16.24 H ATOM 100 N CYS A 24 -16.532 -13.101 5.141 1.00 8.99 N ATOM 101 CA CYS A 24 -16.009 -13.759 3.952 1.00 9.28 C ATOM 102 C CYS A 24 -14.936 -12.956 3.210 1.00 10.27 C ATOM 103 O CYS A 24 -14.109 -13.568 2.535 1.00 9.24 O ATOM 104 CB CYS A 24 -17.168 -14.055 2.988 1.00 9.17 C ATOM 105 SG CYS A 24 -18.205 -15.464 3.457 1.00 10.48 S ATOM 106 H CYS A 24 -17.457 -12.690 5.080 1.00 10.79 H ATOM 107 HA CYS A 24 -15.522 -14.685 4.252 1.00 11.13 H ATOM 108 HB2 CYS A 24 -17.802 -13.179 2.855 1.00 11.00 H ATOM 109 HB3 CYS A 24 -16.778 -14.294 1.999 1.00 11.00 H ATOM 110 N GLU A 25 -14.900 -11.620 3.358 1.00 10.69 N ATOM 111 CA GLU A 25 -13.824 -10.796 2.812 1.00 10.93 C ATOM 112 C GLU A 25 -12.539 -10.920 3.648 1.00 9.14 C ATOM 113 O GLU A 25 -11.454 -10.875 3.072 1.00 9.21 O ATOM 114 CB GLU A 25 -14.278 -9.322 2.706 1.00 15.64 C ATOM 115 CG GLU A 25 -13.246 -8.357 2.066 1.00 16.72 C ATOM 116 CD GLU A 25 -12.727 -8.820 0.695 1.00 26.70 C ATOM 117 OE1 GLU A 25 -13.552 -9.325 -0.099 1.00 24.72 O ATOM 118 OE2 GLU A 25 -11.502 -8.697 0.474 1.00 26.66 O1- ATOM 119 H GLU A 25 -15.630 -11.164 3.891 1.00 12.83 H ATOM 120 HA GLU A 25 -13.598 -11.170 1.813 1.00 13.12 H ATOM 121 HB2 GLU A 25 -15.203 -9.278 2.129 1.00 18.77 H ATOM 122 HB3 GLU A 25 -14.539 -8.949 3.697 1.00 18.77 H ATOM 123 HG2 GLU A 25 -13.697 -7.373 1.941 1.00 20.07 H ATOM 124 HG3 GLU A 25 -12.398 -8.215 2.737 1.00 20.07 H ATOM 125 N LEU A 26 -12.646 -11.153 4.971 1.00 8.63 N ATOM 126 CA LEU A 26 -11.507 -11.464 5.836 1.00 8.42 C ATOM 127 C LEU A 26 -10.928 -12.850 5.514 1.00 8.46 C ATOM 128 O LEU A 26 -9.710 -12.995 5.505 1.00 8.37 O ATOM 129 CB LEU A 26 -11.930 -11.412 7.319 1.00 8.24 C ATOM 130 CG LEU A 26 -10.795 -11.653 8.343 1.00 8.89 C ATOM 131 CD1 LEU A 26 -9.639 -10.650 8.218 1.00 8.85 C ATOM 132 CD2 LEU A 26 -11.349 -11.648 9.767 1.00 9.25 C ATOM 133 H LEU A 26 -13.569 -11.173 5.385 1.00 10.36 H ATOM 134 HA LEU A 26 -10.744 -10.707 5.655 1.00 10.11 H ATOM 135 HB2 LEU A 26 -12.376 -10.445 7.526 1.00 9.89 H ATOM 136 HB3 LEU A 26 -12.725 -12.137 7.495 1.00 9.89 H ATOM 137 HG LEU A 26 -10.379 -12.646 8.181 1.00 10.67 H ATOM 138 HD11 LEU A 26 -8.876 -10.848 8.971 1.00 10.62 H ATOM 139 HD12 LEU A 26 -9.146 -10.714 7.248 1.00 10.62 H ATOM 140 HD13 LEU A 26 -9.984 -9.626 8.354 1.00 10.62 H ATOM 141 HD21 LEU A 26 -10.561 -11.835 10.495 1.00 11.10 H ATOM 142 HD22 LEU A 26 -11.811 -10.690 10.006 1.00 11.10 H ATOM 143 HD23 LEU A 26 -12.103 -12.424 9.892 1.00 11.10 H ATOM 144 N ALA A 27 -11.782 -13.844 5.206 1.00 8.04 N ATOM 145 CA ALA A 27 -11.375 -15.195 4.821 1.00 8.57 C ATOM 146 C ALA A 27 -10.568 -15.201 3.510 1.00 8.88 C ATOM 147 O ALA A 27 -9.565 -15.905 3.416 1.00 9.38 O ATOM 148 CB ALA A 27 -12.625 -16.080 4.688 1.00 10.11 C ATOM 149 H ALA A 27 -12.773 -13.652 5.250 1.00 9.65 H ATOM 150 HA ALA A 27 -10.744 -15.601 5.615 1.00 10.29 H ATOM 151 HB1 ALA A 27 -12.349 -17.116 4.493 1.00 12.13 H ATOM 152 HB2 ALA A 27 -13.213 -16.070 5.607 1.00 12.13 H ATOM 153 HB3 ALA A 27 -13.274 -15.751 3.877 1.00 12.13 H ATOM 154 N ARG A 28 -10.957 -14.365 2.531 1.00 9.04 N ATOM 155 CA ARG A 28 -10.227 -14.172 1.279 1.00 9.00 C ATOM 156 C ARG A 28 -8.948 -13.337 1.472 1.00 9.44 C ATOM 157 O ARG A 28 -7.964 -13.612 0.791 1.00 10.00 O ATOM 158 CB ARG A 28 -11.135 -13.463 0.256 1.00 11.56 C ATOM 159 CG ARG A 28 -12.283 -14.355 -0.253 1.00 11.63 C ATOM 160 CD ARG A 28 -13.128 -13.686 -1.347 1.00 12.19 C ATOM 161 NE ARG A 28 -13.863 -12.517 -0.837 1.00 12.29 N ATOM 162 CZ ARG A 28 -15.161 -12.468 -0.495 1.00 12.76 C ATOM 163 NH1 ARG A 28 -15.946 -13.555 -0.536 1.00 10.91 N ATOM 164 NH2 ARG A 28 -15.675 -11.297 -0.102 1.00 11.93 N1+ ATOM 165 H ARG A 28 -11.792 -13.814 2.676 1.00 10.85 H ATOM 166 HA ARG A 28 -9.936 -15.146 0.880 1.00 10.80 H ATOM 167 HB2 ARG A 28 -11.538 -12.546 0.690 1.00 13.88 H ATOM 168 HB3 ARG A 28 -10.540 -13.154 -0.605 1.00 13.88 H ATOM 169 HG2 ARG A 28 -11.864 -15.276 -0.659 1.00 13.96 H ATOM 170 HG3 ARG A 28 -12.926 -14.666 0.569 1.00 13.96 H ATOM 171 HD2 ARG A 28 -12.483 -13.357 -2.162 1.00 14.63 H ATOM 172 HD3 ARG A 28 -13.819 -14.407 -1.783 1.00 14.63 H ATOM 173 HE ARG A 28 -13.331 -11.660 -0.751 1.00 14.75 H ATOM 174 HH11 ARG A 28 -15.555 -14.452 -0.793 1.00 13.10 H ATOM 175 HH12 ARG A 28 -16.925 -13.490 -0.299 1.00 13.10 H ATOM 176 HH21 ARG A 28 -15.076 -10.475 -0.074 1.00 14.32 H ATOM 177 HH22 ARG A 28 -16.640 -11.217 0.187 1.00 14.32 H ATOM 178 N THR A 29 -8.925 -12.362 2.402 1.00 9.28 N ATOM 179 CA THR A 29 -7.748 -11.535 2.710 1.00 8.95 C ATOM 180 C THR A 29 -6.652 -12.378 3.388 1.00 7.71 C ATOM 181 O THR A 29 -5.486 -12.263 3.016 1.00 9.73 O ATOM 182 CB THR A 29 -8.148 -10.338 3.615 1.00 9.02 C ATOM 183 OG1 THR A 29 -9.006 -9.478 2.893 1.00 11.11 O ATOM 184 CG2 THR A 29 -6.972 -9.446 4.057 1.00 9.94 C ATOM 185 H THR A 29 -9.768 -12.186 2.932 1.00 11.14 H ATOM 186 HA THR A 29 -7.335 -11.151 1.776 1.00 10.75 H ATOM 187 HB THR A 29 -8.676 -10.690 4.501 1.00 10.83 H ATOM 188 HG1 THR A 29 -9.834 -9.921 2.756 1.00 13.34 H ATOM 189 HG21 THR A 29 -7.324 -8.595 4.640 1.00 11.93 H ATOM 190 HG22 THR A 29 -6.260 -9.985 4.681 1.00 11.93 H ATOM 191 HG23 THR A 29 -6.424 -9.056 3.198 1.00 11.93 H ATOM 192 N LEU A 30 -7.031 -13.250 4.338 1.00 8.00 N ATOM 193 CA LEU A 30 -6.139 -14.162 5.050 1.00 9.63 C ATOM 194 C LEU A 30 -5.576 -15.260 4.129 1.00 9.37 C ATOM 195 O LEU A 30 -4.401 -15.599 4.264 1.00 9.24 O ATOM 196 CB LEU A 30 -6.911 -14.818 6.218 1.00 9.38 C ATOM 197 CG LEU A 30 -7.248 -13.894 7.407 1.00 9.49 C ATOM 198 CD1 LEU A 30 -8.246 -14.583 8.350 1.00 10.01 C ATOM 199 CD2 LEU A 30 -6.005 -13.452 8.186 1.00 10.35 C ATOM 200 H LEU A 30 -8.011 -13.279 4.592 1.00 9.60 H ATOM 201 HA LEU A 30 -5.291 -13.595 5.434 1.00 11.56 H ATOM 202 HB2 LEU A 30 -7.847 -15.209 5.822 1.00 11.26 H ATOM 203 HB3 LEU A 30 -6.362 -15.681 6.599 1.00 11.26 H ATOM 204 HG LEU A 30 -7.721 -12.989 7.030 1.00 11.39 H ATOM 205 HD11 LEU A 30 -8.525 -13.932 9.180 1.00 12.02 H ATOM 206 HD12 LEU A 30 -9.159 -14.851 7.820 1.00 12.02 H ATOM 207 HD13 LEU A 30 -7.830 -15.499 8.772 1.00 12.02 H ATOM 208 HD21 LEU A 30 -6.282 -12.780 8.998 1.00 12.42 H ATOM 209 HD22 LEU A 30 -5.482 -14.305 8.617 1.00 12.42 H ATOM 210 HD23 LEU A 30 -5.310 -12.910 7.549 1.00 12.42 H ATOM 211 N LYS A 31 -6.371 -15.778 3.173 1.00 9.81 N ATOM 212 CA LYS A 31 -5.931 -16.791 2.208 1.00 9.17 C ATOM 213 C LYS A 31 -4.978 -16.205 1.143 1.00 10.37 C ATOM 214 O LYS A 31 -4.046 -16.899 0.738 1.00 9.74 O ATOM 215 CB LYS A 31 -7.160 -17.440 1.530 1.00 10.57 C ATOM 216 CG LYS A 31 -6.787 -18.679 0.691 1.00 15.00 C ATOM 217 CD LYS A 31 -7.985 -19.449 0.122 1.00 17.75 C ATOM 218 CE LYS A 31 -7.518 -20.653 -0.712 1.00 20.53 C ATOM 219 NZ LYS A 31 -8.646 -21.367 -1.330 1.00 24.59 N1+ ATOM 220 H LYS A 31 -7.330 -15.462 3.115 1.00 11.78 H ATOM 221 HA LYS A 31 -5.394 -17.566 2.759 1.00 11.01 H ATOM 222 HB2 LYS A 31 -7.864 -17.749 2.304 1.00 12.69 H ATOM 223 HB3 LYS A 31 -7.689 -16.711 0.914 1.00 12.69 H ATOM 224 HG2 LYS A 31 -6.146 -18.383 -0.139 1.00 18.00 H ATOM 225 HG3 LYS A 31 -6.195 -19.359 1.305 1.00 18.00 H ATOM 226 HD2 LYS A 31 -8.620 -19.794 0.938 1.00 21.31 H ATOM 227 HD3 LYS A 31 -8.592 -18.781 -0.491 1.00 21.31 H ATOM 228 HE2 LYS A 31 -6.844 -20.327 -1.505 1.00 24.64 H ATOM 229 HE3 LYS A 31 -6.962 -21.353 -0.089 1.00 24.64 H ATOM 230 HZ1 LYS A 31 -9.288 -21.689 -0.609 1.00 29.51 H ATOM 231 HZ2 LYS A 31 -9.142 -20.750 -1.957 1.00 29.51 H ATOM 232 HZ3 LYS A 31 -8.303 -22.166 -1.842 1.00 29.51 H ATOM 233 N ARG A 32 -5.159 -14.932 0.737 1.00 9.68 N ATOM 234 CA ARG A 32 -4.244 -14.207 -0.157 1.00 8.69 C ATOM 235 C ARG A 32 -2.905 -13.868 0.525 1.00 10.00 C ATOM 236 O ARG A 32 -1.887 -13.779 -0.160 1.00 11.20 O ATOM 237 CB ARG A 32 -4.898 -12.890 -0.633 1.00 11.01 C ATOM 238 CG ARG A 32 -5.977 -13.091 -1.714 1.00 10.66 C ATOM 239 CD ARG A 32 -6.577 -11.776 -2.241 1.00 16.16 C ATOM 240 NE ARG A 32 -7.235 -10.991 -1.181 0.52 13.44 N ATOM 241 CZ ARG A 32 -8.512 -10.563 -1.149 0.66 13.55 C ATOM 242 NH1 ARG A 32 -8.918 -9.789 -0.136 0.62 16.10 N ATOM 243 NH2 ARG A 32 -9.395 -10.887 -2.103 1.00 16.78 N1+ ATOM 244 H ARG A 32 -5.953 -14.422 1.100 1.00 11.61 H ATOM 245 HA ARG A 32 -4.024 -14.832 -1.025 1.00 10.43 H ATOM 246 HB2 ARG A 32 -5.317 -12.360 0.223 1.00 13.21 H ATOM 247 HB3 ARG A 32 -4.136 -12.229 -1.050 1.00 13.21 H ATOM 248 HG2 ARG A 32 -5.528 -13.618 -2.556 1.00 12.80 H ATOM 249 HG3 ARG A 32 -6.769 -13.748 -1.361 1.00 12.80 H ATOM 250 HD2 ARG A 32 -5.791 -11.160 -2.679 1.00 19.39 H ATOM 251 HD3 ARG A 32 -7.274 -11.996 -3.048 1.00 19.39 H ATOM 252 HE ARG A 32 -6.630 -10.712 -0.422 1.00 16.13 H ATOM 253 HH11 ARG A 32 -8.285 -9.534 0.610 0.00 19.32 H ATOM 254 HH12 ARG A 32 -9.876 -9.449 -0.081 0.00 19.32 H ATOM 255 HH21 ARG A 32 -9.115 -11.470 -2.877 1.00 20.14 H ATOM 256 HH22 ARG A 32 -10.341 -10.536 -2.057 1.00 20.14 H ATOM 257 N LEU A 33 -2.897 -13.723 1.862 1.00 10.67 N ATOM 258 CA LEU A 33 -1.699 -13.539 2.683 1.00 8.80 C ATOM 259 C LEU A 33 -1.120 -14.888 3.174 1.00 9.68 C ATOM 260 O LEU A 33 -0.156 -14.885 3.937 1.00 11.55 O ATOM 261 CB LEU A 33 -2.056 -12.652 3.898 1.00 9.95 C ATOM 262 CG LEU A 33 -2.423 -11.189 3.553 1.00 9.32 C ATOM 263 CD1 LEU A 33 -3.103 -10.500 4.745 1.00 9.98 C ATOM 264 CD2 LEU A 33 -1.200 -10.373 3.101 1.00 11.94 C ATOM 265 H LEU A 33 -3.779 -13.790 2.350 1.00 12.80 H ATOM 266 HA LEU A 33 -0.914 -13.053 2.102 1.00 10.56 H ATOM 267 HB2 LEU A 33 -2.877 -13.117 4.447 1.00 11.94 H ATOM 268 HB3 LEU A 33 -1.212 -12.617 4.586 1.00 11.94 H ATOM 269 HG LEU A 33 -3.138 -11.187 2.732 1.00 11.18 H ATOM 270 HD11 LEU A 33 -3.417 -9.488 4.490 1.00 11.98 H ATOM 271 HD12 LEU A 33 -3.990 -11.046 5.067 1.00 11.98 H ATOM 272 HD13 LEU A 33 -2.427 -10.430 5.598 1.00 11.98 H ATOM 273 HD21 LEU A 33 -1.476 -9.339 2.892 1.00 14.33 H ATOM 274 HD22 LEU A 33 -0.426 -10.357 3.870 1.00 14.33 H ATOM 275 HD23 LEU A 33 -0.759 -10.777 2.191 1.00 14.33 H ATOM 276 N GLY A 34 -1.653 -16.032 2.705 1.00 10.75 N ATOM 277 CA GLY A 34 -1.066 -17.364 2.853 1.00 12.23 C ATOM 278 C GLY A 34 -1.243 -18.030 4.224 1.00 10.02 C ATOM 279 O GLY A 34 -0.375 -18.805 4.625 1.00 10.96 O ATOM 280 H GLY A 34 -2.452 -15.958 2.091 1.00 12.90 H ATOM 281 HA2 GLY A 34 -1.524 -18.013 2.107 1.00 14.68 H ATOM 282 HA3 GLY A 34 -0.004 -17.321 2.608 1.00 14.68 H ATOM 283 N MET A 35 -2.330 -17.721 4.951 1.00 8.76 N ATOM 284 CA MET A 35 -2.611 -18.267 6.283 1.00 9.20 C ATOM 285 C MET A 35 -3.302 -19.639 6.245 1.00 9.55 C ATOM 286 O MET A 35 -3.176 -20.385 7.214 1.00 9.81 O ATOM 287 CB MET A 35 -3.546 -17.296 7.033 1.00 8.96 C ATOM 288 CG MET A 35 -2.794 -16.070 7.559 1.00 10.01 C ATOM 289 SD MET A 35 -1.791 -16.437 9.027 1.00 11.11 S ATOM 290 CE MET A 35 -2.755 -15.568 10.286 1.00 11.68 C ATOM 291 H MET A 35 -2.990 -17.053 4.572 1.00 10.51 H ATOM 292 HA MET A 35 -1.681 -18.382 6.843 1.00 11.04 H ATOM 293 HB2 MET A 35 -4.365 -16.990 6.385 1.00 10.75 H ATOM 294 HB3 MET A 35 -4.023 -17.783 7.885 1.00 10.75 H ATOM 295 HG2 MET A 35 -2.147 -15.666 6.781 1.00 12.02 H ATOM 296 HG3 MET A 35 -3.500 -15.278 7.802 1.00 12.02 H ATOM 297 HE1 MET A 35 -2.336 -15.762 11.270 1.00 14.01 H ATOM 298 HE2 MET A 35 -2.729 -14.494 10.113 1.00 14.01 H ATOM 299 HE3 MET A 35 -3.794 -15.899 10.275 1.00 14.01 H ATOM 300 N ASP A 36 -4.008 -19.985 5.152 1.00 10.62 N ATOM 301 CA ASP A 36 -4.737 -21.246 5.001 1.00 11.73 C ATOM 302 C ASP A 36 -3.765 -22.441 4.965 1.00 10.90 C ATOM 303 O ASP A 36 -3.002 -22.600 4.012 1.00 11.00 O ATOM 304 CB ASP A 36 -5.610 -21.172 3.722 1.00 15.98 C ATOM 305 CG ASP A 36 -6.542 -22.373 3.494 1.00 22.16 C ATOM 306 OD1 ASP A 36 -6.832 -23.093 4.478 1.00 20.36 O ATOM 307 OD2 ASP A 36 -6.982 -22.524 2.334 1.00 26.95 O1- ATOM 308 H ASP A 36 -4.045 -19.334 4.382 1.00 12.75 H ATOM 309 HA ASP A 36 -5.397 -21.345 5.866 1.00 14.08 H ATOM 310 HB2 ASP A 36 -6.235 -20.280 3.755 1.00 19.18 H ATOM 311 HB3 ASP A 36 -4.973 -21.059 2.843 1.00 19.18 H ATOM 312 N GLY A 37 -3.790 -23.251 6.034 1.00 9.62 N ATOM 313 CA GLY A 37 -2.932 -24.413 6.234 1.00 9.26 C ATOM 314 C GLY A 37 -1.527 -24.098 6.769 1.00 9.18 C ATOM 315 O GLY A 37 -0.693 -25.004 6.778 1.00 10.74 O ATOM 316 H GLY A 37 -4.426 -23.024 6.785 1.00 11.54 H ATOM 317 HA2 GLY A 37 -3.425 -25.075 6.946 1.00 11.11 H ATOM 318 HA3 GLY A 37 -2.844 -24.975 5.302 1.00 11.11 H ATOM 319 N TYR A 38 -1.247 -22.851 7.205 1.00 8.87 N ATOM 320 CA TYR A 38 0.059 -22.422 7.716 1.00 9.41 C ATOM 321 C TYR A 38 0.359 -23.112 9.058 1.00 9.20 C ATOM 322 O TYR A 38 -0.255 -22.794 10.077 1.00 9.87 O ATOM 323 CB TYR A 38 0.100 -20.884 7.884 1.00 9.19 C ATOM 324 CG TYR A 38 1.481 -20.369 8.269 1.00 9.60 C ATOM 325 CD1 TYR A 38 2.448 -20.145 7.267 1.00 11.77 C ATOM 326 CD2 TYR A 38 1.830 -20.187 9.625 1.00 8.38 C ATOM 327 CE1 TYR A 38 3.762 -19.778 7.618 1.00 11.72 C ATOM 328 CE2 TYR A 38 3.145 -19.824 9.976 1.00 11.79 C ATOM 329 CZ TYR A 38 4.115 -19.630 8.974 1.00 12.32 C ATOM 330 OH TYR A 38 5.397 -19.311 9.314 1.00 15.03 O ATOM 331 H TYR A 38 -1.987 -22.161 7.180 1.00 10.65 H ATOM 332 HA TYR A 38 0.816 -22.706 6.983 1.00 11.30 H ATOM 333 HB2 TYR A 38 -0.189 -20.410 6.946 1.00 11.03 H ATOM 334 HB3 TYR A 38 -0.632 -20.551 8.622 1.00 11.03 H ATOM 335 HD1 TYR A 38 2.191 -20.285 6.227 1.00 14.13 H ATOM 336 HD2 TYR A 38 1.099 -20.358 10.401 1.00 10.06 H ATOM 337 HE1 TYR A 38 4.499 -19.628 6.843 1.00 14.07 H ATOM 338 HE2 TYR A 38 3.414 -19.708 11.015 1.00 14.15 H ATOM 339 HH TYR A 38 5.972 -19.295 8.563 1.00 18.04 H ATOM 340 N ARG A 39 1.283 -24.087 9.018 1.00 11.21 N ATOM 341 CA ARG A 39 1.736 -24.923 10.134 1.00 11.32 C ATOM 342 C ARG A 39 0.624 -25.855 10.655 1.00 10.79 C ATOM 343 O ARG A 39 0.537 -26.128 11.852 1.00 10.51 O ATOM 344 CB ARG A 39 2.472 -24.101 11.220 1.00 12.37 C ATOM 345 CG ARG A 39 3.804 -23.534 10.690 1.00 16.73 C ATOM 346 CD ARG A 39 4.674 -22.845 11.749 1.00 18.13 C ATOM 347 NE ARG A 39 4.975 -23.728 12.884 1.00 17.88 N ATOM 348 CZ ARG A 39 5.912 -24.689 12.939 1.00 20.33 C ATOM 349 NH1 ARG A 39 6.690 -24.973 11.885 1.00 17.77 N ATOM 350 NH2 ARG A 39 6.069 -25.378 14.077 1.00 19.34 N1+ ATOM 351 H ARG A 39 1.700 -24.283 8.119 1.00 13.45 H ATOM 352 HA ARG A 39 2.466 -25.608 9.703 1.00 13.59 H ATOM 353 HB2 ARG A 39 1.845 -23.296 11.605 1.00 14.84 H ATOM 354 HB3 ARG A 39 2.683 -24.747 12.071 1.00 14.84 H ATOM 355 HG2 ARG A 39 4.383 -24.337 10.232 1.00 20.08 H ATOM 356 HG3 ARG A 39 3.601 -22.823 9.889 1.00 20.08 H ATOM 357 HD2 ARG A 39 5.602 -22.494 11.300 1.00 21.75 H ATOM 358 HD3 ARG A 39 4.162 -21.962 12.131 1.00 21.75 H ATOM 359 HE ARG A 39 4.417 -23.557 13.713 1.00 21.45 H ATOM 360 HH11 ARG A 39 6.575 -24.461 11.023 1.00 21.33 H ATOM 361 HH12 ARG A 39 7.391 -25.698 11.942 1.00 21.33 H ATOM 362 HH21 ARG A 39 5.495 -25.168 14.882 1.00 23.21 H ATOM 363 HH22 ARG A 39 6.767 -26.104 14.147 1.00 23.21 H ATOM 364 N GLY A 40 -0.234 -26.326 9.733 1.00 9.83 N ATOM 365 CA GLY A 40 -1.363 -27.216 9.981 1.00 9.85 C ATOM 366 C GLY A 40 -2.650 -26.511 10.430 1.00 8.86 C ATOM 367 O GLY A 40 -3.666 -27.183 10.598 1.00 9.38 O ATOM 368 H GLY A 40 -0.098 -26.029 8.776 1.00 11.79 H ATOM 369 HA2 GLY A 40 -1.574 -27.756 9.058 1.00 11.82 H ATOM 370 HA3 GLY A 40 -1.093 -27.968 10.725 1.00 11.82 H ATOM 371 N ILE A 41 -2.622 -25.180 10.625 1.00 8.10 N ATOM 372 CA ILE A 41 -3.755 -24.386 11.095 1.00 8.47 C ATOM 373 C ILE A 41 -4.517 -23.917 9.847 1.00 6.88 C ATOM 374 O ILE A 41 -4.017 -23.097 9.075 1.00 8.80 O ATOM 375 CB ILE A 41 -3.243 -23.156 11.901 1.00 8.75 C ATOM 376 CG1 ILE A 41 -2.305 -23.559 13.066 1.00 9.42 C ATOM 377 CG2 ILE A 41 -4.417 -22.314 12.452 1.00 11.21 C ATOM 378 CD1 ILE A 41 -1.374 -22.425 13.504 1.00 9.97 C ATOM 379 H ILE A 41 -1.754 -24.689 10.459 1.00 9.73 H ATOM 380 HA ILE A 41 -4.404 -24.986 11.737 1.00 10.17 H ATOM 381 HB ILE A 41 -2.666 -22.522 11.226 1.00 10.51 H ATOM 382 HG12 ILE A 41 -2.895 -23.911 13.912 1.00 11.31 H ATOM 383 HG13 ILE A 41 -1.662 -24.395 12.795 1.00 11.31 H ATOM 384 HG21 ILE A 41 -4.063 -21.432 12.981 1.00 13.45 H ATOM 385 HG22 ILE A 41 -5.078 -21.953 11.665 1.00 13.45 H ATOM 386 HG23 ILE A 41 -5.025 -22.892 13.149 1.00 13.45 H ATOM 387 HD11 ILE A 41 -0.793 -22.723 14.376 1.00 11.96 H ATOM 388 HD12 ILE A 41 -0.674 -22.167 12.710 1.00 11.96 H ATOM 389 HD13 ILE A 41 -1.928 -21.525 13.762 1.00 11.96 H ATOM 390 N SER A 42 -5.735 -24.448 9.666 1.00 8.05 N ATOM 391 CA SER A 42 -6.652 -24.109 8.579 1.00 8.11 C ATOM 392 C SER A 42 -7.213 -22.685 8.731 1.00 9.35 C ATOM 393 O SER A 42 -7.213 -22.111 9.823 1.00 8.68 O ATOM 394 CB SER A 42 -7.792 -25.154 8.557 1.00 9.85 C ATOM 395 OG SER A 42 -8.701 -25.017 9.633 1.00 10.65 O ATOM 396 H SER A 42 -6.065 -25.119 10.343 1.00 9.67 H ATOM 397 HA SER A 42 -6.102 -24.173 7.639 1.00 9.73 H ATOM 398 HB2 SER A 42 -8.358 -25.058 7.629 1.00 11.82 H ATOM 399 HB3 SER A 42 -7.383 -26.165 8.562 1.00 11.82 H ATOM 400 HG SER A 42 -9.377 -25.672 9.537 1.00 12.78 H ATOM 401 N LEU A 43 -7.722 -22.138 7.617 1.00 8.30 N ATOM 402 CA LEU A 43 -8.350 -20.819 7.509 1.00 9.69 C ATOM 403 C LEU A 43 -9.569 -20.637 8.432 1.00 9.06 C ATOM 404 O LEU A 43 -9.830 -19.523 8.876 1.00 9.58 O ATOM 405 CB LEU A 43 -8.742 -20.631 6.034 1.00 12.67 C ATOM 406 CG LEU A 43 -9.211 -19.227 5.617 1.00 16.19 C ATOM 407 CD1 LEU A 43 -8.078 -18.196 5.704 1.00 21.21 C ATOM 408 CD2 LEU A 43 -9.775 -19.291 4.195 1.00 18.92 C ATOM 409 H LEU A 43 -7.661 -22.673 6.761 1.00 9.96 H ATOM 410 HA LEU A 43 -7.600 -20.078 7.782 1.00 11.63 H ATOM 411 HB2 LEU A 43 -7.885 -20.881 5.415 1.00 15.21 H ATOM 412 HB3 LEU A 43 -9.510 -21.363 5.779 1.00 15.21 H ATOM 413 HG LEU A 43 -10.024 -18.902 6.266 1.00 19.44 H ATOM 414 HD11 LEU A 43 -8.417 -17.240 5.317 1.00 25.46 H ATOM 415 HD12 LEU A 43 -7.752 -18.034 6.732 1.00 25.46 H ATOM 416 HD13 LEU A 43 -7.209 -18.497 5.118 1.00 25.46 H ATOM 417 HD21 LEU A 43 -10.201 -18.337 3.892 1.00 22.71 H ATOM 418 HD22 LEU A 43 -9.004 -19.563 3.474 1.00 22.71 H ATOM 419 HD23 LEU A 43 -10.568 -20.035 4.128 1.00 22.71 H ATOM 420 N ALA A 44 -10.278 -21.733 8.751 1.00 8.55 N ATOM 421 CA ALA A 44 -11.436 -21.784 9.638 1.00 9.39 C ATOM 422 C ALA A 44 -11.082 -21.540 11.116 1.00 8.80 C ATOM 423 O ALA A 44 -11.904 -20.989 11.845 1.00 9.44 O ATOM 424 CB ALA A 44 -12.061 -23.177 9.495 1.00 9.98 C ATOM 425 H ALA A 44 -9.974 -22.610 8.352 1.00 10.26 H ATOM 426 HA ALA A 44 -12.160 -21.032 9.324 1.00 11.27 H ATOM 427 HB1 ALA A 44 -12.964 -23.262 10.091 1.00 11.98 H ATOM 428 HB2 ALA A 44 -12.336 -23.382 8.460 1.00 11.98 H ATOM 429 HB3 ALA A 44 -11.377 -23.963 9.817 1.00 11.98 H ATOM 430 N ASN A 45 -9.860 -21.908 11.543 1.00 8.35 N ATOM 431 CA ASN A 45 -9.330 -21.676 12.890 1.00 8.29 C ATOM 432 C ASN A 45 -8.716 -20.274 13.046 1.00 7.29 C ATOM 433 O ASN A 45 -8.752 -19.731 14.150 1.00 8.36 O ATOM 434 CB ASN A 45 -8.234 -22.722 13.197 1.00 9.15 C ATOM 435 CG ASN A 45 -8.830 -24.084 13.555 1.00 7.80 C ATOM 436 OD1 ASN A 45 -9.429 -24.234 14.617 1.00 9.83 O ATOM 437 ND2 ASN A 45 -8.688 -25.076 12.676 1.00 10.16 N ATOM 438 H ASN A 45 -9.238 -22.340 10.874 1.00 10.02 H ATOM 439 HA ASN A 45 -10.135 -21.763 13.624 1.00 9.94 H ATOM 440 HB2 ASN A 45 -7.543 -22.821 12.359 1.00 10.98 H ATOM 441 HB3 ASN A 45 -7.624 -22.408 14.045 1.00 10.98 H ATOM 442 HD21 ASN A 45 -9.075 -25.984 12.886 1.00 12.19 H ATOM 443 HD22 ASN A 45 -8.237 -24.910 11.786 1.00 12.19 H ATOM 444 N TRP A 46 -8.209 -19.667 11.957 1.00 8.38 N ATOM 445 CA TRP A 46 -7.744 -18.276 11.923 1.00 7.43 C ATOM 446 C TRP A 46 -8.920 -17.287 11.883 1.00 8.72 C ATOM 447 O TRP A 46 -8.827 -16.201 12.455 1.00 8.67 O ATOM 448 CB TRP A 46 -6.893 -18.049 10.659 1.00 9.00 C ATOM 449 CG TRP A 46 -5.541 -18.691 10.659 1.00 8.66 C ATOM 450 CD1 TRP A 46 -5.102 -19.609 9.771 1.00 7.66 C ATOM 451 CD2 TRP A 46 -4.420 -18.443 11.561 1.00 8.38 C ATOM 452 NE1 TRP A 46 -3.793 -19.936 10.050 1.00 9.10 N ATOM 453 CE2 TRP A 46 -3.309 -19.228 11.127 1.00 8.80 C ATOM 454 CE3 TRP A 46 -4.220 -17.617 12.692 1.00 9.84 C ATOM 455 CZ2 TRP A 46 -2.056 -19.173 11.759 1.00 9.81 C ATOM 456 CZ3 TRP A 46 -2.972 -17.560 13.341 1.00 9.21 C ATOM 457 CH2 TRP A 46 -1.888 -18.324 12.866 1.00 9.49 C ATOM 458 H TRP A 46 -8.194 -20.182 11.087 1.00 10.06 H ATOM 459 HA TRP A 46 -7.149 -18.065 12.813 1.00 8.92 H ATOM 460 HB2 TRP A 46 -7.440 -18.373 9.771 1.00 10.81 H ATOM 461 HB3 TRP A 46 -6.713 -16.982 10.523 1.00 10.81 H ATOM 462 HD1 TRP A 46 -5.683 -20.005 8.953 1.00 9.19 H ATOM 463 HE1 TRP A 46 -3.273 -20.595 9.485 1.00 10.92 H ATOM 464 HE3 TRP A 46 -5.033 -17.004 13.050 1.00 11.81 H ATOM 465 HZ2 TRP A 46 -1.234 -19.771 11.394 1.00 11.78 H ATOM 466 HZ3 TRP A 46 -2.844 -16.913 14.194 1.00 11.05 H ATOM 467 HH2 TRP A 46 -0.928 -18.258 13.349 1.00 11.39 H ATOM 468 N MET A 47 -10.030 -17.682 11.239 1.00 8.42 N ATOM 469 CA MET A 47 -11.280 -16.933 11.171 1.00 8.29 C ATOM 470 C MET A 47 -12.091 -17.053 12.472 1.00 7.63 C ATOM 471 O MET A 47 -12.816 -16.120 12.812 1.00 9.01 O ATOM 472 CB MET A 47 -12.128 -17.502 10.013 1.00 7.25 C ATOM 473 CG MET A 47 -11.790 -16.901 8.640 1.00 10.01 C ATOM 474 SD MET A 47 -12.031 -15.110 8.491 1.00 9.49 S ATOM 475 CE MET A 47 -13.770 -14.941 8.955 1.00 11.00 C ATOM 476 H MET A 47 -10.006 -18.574 10.764 1.00 10.11 H ATOM 477 HA MET A 47 -11.066 -15.875 11.013 1.00 9.95 H ATOM 478 HB2 MET A 47 -12.041 -18.588 9.976 1.00 8.70 H ATOM 479 HB3 MET A 47 -13.181 -17.319 10.196 1.00 8.70 H ATOM 480 HG2 MET A 47 -10.754 -17.114 8.381 1.00 12.02 H ATOM 481 HG3 MET A 47 -12.403 -17.379 7.877 1.00 12.02 H ATOM 482 HE1 MET A 47 -14.060 -13.892 8.919 1.00 13.20 H ATOM 483 HE2 MET A 47 -14.406 -15.508 8.277 1.00 13.20 H ATOM 484 HE3 MET A 47 -13.935 -15.288 9.971 1.00 13.20 H ATOM 485 N CYS A 48 -11.945 -18.164 13.214 1.00 8.20 N ATOM 486 CA CYS A 48 -12.531 -18.343 14.541 1.00 8.82 C ATOM 487 C CYS A 48 -11.748 -17.530 15.589 1.00 8.30 C ATOM 488 O CYS A 48 -12.368 -16.917 16.456 1.00 9.35 O ATOM 489 CB CYS A 48 -12.518 -19.842 14.901 1.00 9.34 C ATOM 490 SG CYS A 48 -13.390 -20.255 16.435 1.00 10.09 S ATOM 491 H CYS A 48 -11.355 -18.904 12.861 1.00 9.84 H ATOM 492 HA CYS A 48 -13.567 -17.999 14.523 1.00 10.58 H ATOM 493 HB2 CYS A 48 -13.016 -20.401 14.111 1.00 11.21 H ATOM 494 HB3 CYS A 48 -11.500 -20.230 14.953 1.00 11.21 H ATOM 495 N LEU A 49 -10.406 -17.470 15.484 1.00 8.24 N ATOM 496 CA LEU A 49 -9.538 -16.642 16.327 1.00 10.22 C ATOM 497 C LEU A 49 -9.881 -15.148 16.192 1.00 9.36 C ATOM 498 O LEU A 49 -10.081 -14.480 17.203 1.00 9.29 O ATOM 499 CB LEU A 49 -8.053 -16.919 15.979 1.00 9.36 C ATOM 500 CG LEU A 49 -7.012 -16.056 16.735 1.00 8.94 C ATOM 501 CD1 LEU A 49 -6.980 -16.358 18.239 1.00 9.82 C ATOM 502 CD2 LEU A 49 -5.613 -16.213 16.128 1.00 11.19 C ATOM 503 H LEU A 49 -9.957 -18.009 14.756 1.00 9.88 H ATOM 504 HA LEU A 49 -9.717 -16.939 17.362 1.00 12.27 H ATOM 505 HB2 LEU A 49 -7.832 -17.973 16.154 1.00 11.23 H ATOM 506 HB3 LEU A 49 -7.914 -16.767 14.908 1.00 11.23 H ATOM 507 HG LEU A 49 -7.267 -15.003 16.623 1.00 10.73 H ATOM 508 HD11 LEU A 49 -6.340 -15.644 18.754 1.00 11.79 H ATOM 509 HD12 LEU A 49 -7.966 -16.284 18.697 1.00 11.79 H ATOM 510 HD13 LEU A 49 -6.590 -17.356 18.432 1.00 11.79 H ATOM 511 HD21 LEU A 49 -4.911 -15.516 16.586 1.00 13.43 H ATOM 512 HD22 LEU A 49 -5.226 -17.219 16.274 1.00 13.43 H ATOM 513 HD23 LEU A 49 -5.619 -16.009 15.059 1.00 13.43 H ATOM 514 N ALA A 50 -9.993 -14.642 14.952 1.00 9.34 N ATOM 515 CA ALA A 50 -10.291 -13.243 14.642 1.00 8.56 C ATOM 516 C ALA A 50 -11.705 -12.796 15.065 1.00 8.67 C ATOM 517 O ALA A 50 -11.904 -11.617 15.361 1.00 10.03 O ATOM 518 CB ALA A 50 -10.126 -13.040 13.130 1.00 10.80 C ATOM 519 H ALA A 50 -9.818 -15.259 14.170 1.00 11.21 H ATOM 520 HA ALA A 50 -9.564 -12.621 15.165 1.00 10.27 H ATOM 521 HB1 ALA A 50 -10.317 -12.004 12.853 1.00 12.97 H ATOM 522 HB2 ALA A 50 -9.111 -13.279 12.811 1.00 12.97 H ATOM 523 HB3 ALA A 50 -10.810 -13.671 12.560 1.00 12.97 H ATOM 524 N LYS A 51 -12.667 -13.735 15.121 1.00 9.15 N ATOM 525 CA LYS A 51 -14.051 -13.509 15.536 1.00 8.90 C ATOM 526 C LYS A 51 -14.159 -13.329 17.058 1.00 10.16 C ATOM 527 O LYS A 51 -14.863 -12.429 17.511 1.00 9.93 O ATOM 528 CB LYS A 51 -14.897 -14.737 15.109 1.00 12.70 C ATOM 529 CG LYS A 51 -16.387 -14.715 15.508 1.00 21.19 C ATOM 530 CD LYS A 51 -17.183 -13.564 14.874 1.00 28.10 C ATOM 531 CE LYS A 51 -18.665 -13.589 15.262 0.40 22.64 C ATOM 532 NZ LYS A 51 -19.404 -12.502 14.598 0.93 23.06 N1+ ATOM 533 H LYS A 51 -12.416 -14.680 14.864 1.00 10.98 H ATOM 534 HA LYS A 51 -14.424 -12.611 15.040 1.00 10.69 H ATOM 535 HB2 LYS A 51 -14.834 -14.857 14.029 1.00 15.24 H ATOM 536 HB3 LYS A 51 -14.456 -15.645 15.521 1.00 15.24 H ATOM 537 HG2 LYS A 51 -16.834 -15.659 15.200 1.00 25.42 H ATOM 538 HG3 LYS A 51 -16.495 -14.689 16.593 1.00 25.42 H ATOM 539 HD2 LYS A 51 -16.751 -12.607 15.166 1.00 33.72 H ATOM 540 HD3 LYS A 51 -17.098 -13.626 13.790 1.00 33.72 H ATOM 541 HE2 LYS A 51 -19.116 -14.542 14.981 1.00 27.17 H ATOM 542 HE3 LYS A 51 -18.775 -13.485 16.342 1.00 27.17 H ATOM 543 HZ1 LYS A 51 -19.009 -11.612 14.867 0.65 27.67 H ATOM 544 HZ2 LYS A 51 -19.336 -12.610 13.597 0.00 27.67 H ATOM 545 HZ3 LYS A 51 -20.375 -12.535 14.875 1.00 27.67 H ATOM 546 N TRP A 52 -13.491 -14.192 17.838 1.00 9.58 N ATOM 547 CA TRP A 52 -13.643 -14.265 19.291 1.00 9.20 C ATOM 548 C TRP A 52 -12.622 -13.424 20.069 1.00 9.99 C ATOM 549 O TRP A 52 -12.805 -13.241 21.272 1.00 12.95 O ATOM 550 CB TRP A 52 -13.552 -15.744 19.708 1.00 10.40 C ATOM 551 CG TRP A 52 -14.807 -16.503 19.395 1.00 9.68 C ATOM 552 CD1 TRP A 52 -14.949 -17.462 18.454 1.00 11.73 C ATOM 553 CD2 TRP A 52 -16.127 -16.342 19.999 1.00 11.66 C ATOM 554 NE1 TRP A 52 -16.259 -17.887 18.417 1.00 13.63 N ATOM 555 CE2 TRP A 52 -17.034 -17.234 19.350 1.00 14.70 C ATOM 556 CE3 TRP A 52 -16.654 -15.526 21.027 1.00 14.50 C ATOM 557 CZ2 TRP A 52 -18.393 -17.308 19.698 1.00 21.86 C ATOM 558 CZ3 TRP A 52 -18.016 -15.591 21.385 1.00 20.19 C ATOM 559 CH2 TRP A 52 -18.886 -16.480 20.723 1.00 21.74 C ATOM 560 H TRP A 52 -12.926 -14.905 17.396 1.00 11.50 H ATOM 561 HA TRP A 52 -14.625 -13.886 19.582 1.00 11.04 H ATOM 562 HB2 TRP A 52 -12.698 -16.228 19.230 1.00 12.49 H ATOM 563 HB3 TRP A 52 -13.385 -15.834 20.782 1.00 12.49 H ATOM 564 HD1 TRP A 52 -14.157 -17.824 17.821 1.00 14.08 H ATOM 565 HE1 TRP A 52 -16.588 -18.577 17.754 1.00 16.36 H ATOM 566 HE3 TRP A 52 -16.002 -14.838 21.545 1.00 17.40 H ATOM 567 HZ2 TRP A 52 -19.052 -17.993 19.184 1.00 26.24 H ATOM 568 HZ3 TRP A 52 -18.395 -14.955 22.172 1.00 24.23 H ATOM 569 HH2 TRP A 52 -19.928 -16.524 21.000 1.00 26.09 H ATOM 570 N GLU A 53 -11.597 -12.873 19.399 1.00 8.76 N ATOM 571 CA GLU A 53 -10.640 -11.944 19.996 1.00 9.00 C ATOM 572 C GLU A 53 -11.102 -10.487 19.812 1.00 9.36 C ATOM 573 O GLU A 53 -10.953 -9.700 20.745 1.00 9.98 O ATOM 574 CB GLU A 53 -9.275 -12.112 19.289 1.00 9.37 C ATOM 575 CG GLU A 53 -8.511 -13.395 19.690 1.00 9.75 C ATOM 576 CD GLU A 53 -7.897 -13.400 21.096 1.00 10.90 C ATOM 577 OE1 GLU A 53 -8.214 -12.496 21.899 1.00 11.96 O ATOM 578 OE2 GLU A 53 -7.122 -14.343 21.357 1.00 11.64 O1- ATOM 579 H GLU A 53 -11.482 -13.099 18.421 1.00 10.51 H ATOM 580 HA GLU A 53 -10.541 -12.130 21.066 1.00 10.81 H ATOM 581 HB2 GLU A 53 -9.414 -12.100 18.207 1.00 11.25 H ATOM 582 HB3 GLU A 53 -8.637 -11.254 19.493 1.00 11.25 H ATOM 583 HG2 GLU A 53 -9.166 -14.262 19.616 1.00 11.70 H ATOM 584 HG3 GLU A 53 -7.706 -13.560 18.975 1.00 11.70 H ATOM 585 N SER A 54 -11.662 -10.121 18.643 1.00 8.75 N ATOM 586 CA SER A 54 -11.927 -8.726 18.269 1.00 11.00 C ATOM 587 C SER A 54 -13.281 -8.465 17.591 1.00 10.47 C ATOM 588 O SER A 54 -13.660 -7.301 17.458 1.00 11.59 O ATOM 589 CB SER A 54 -10.740 -8.181 17.450 1.00 10.27 C ATOM 590 OG SER A 54 -10.780 -8.674 16.124 1.00 9.22 O ATOM 591 H SER A 54 -11.772 -10.824 17.928 1.00 10.50 H ATOM 592 HA SER A 54 -11.974 -8.126 19.180 1.00 13.20 H ATOM 593 HB2 SER A 54 -10.792 -7.093 17.410 1.00 12.32 H ATOM 594 HB3 SER A 54 -9.782 -8.430 17.908 1.00 12.32 H ATOM 595 HG SER A 54 -10.524 -9.585 16.133 1.00 11.07 H ATOM 596 N GLY A 55 -13.984 -9.507 17.118 1.00 9.88 N ATOM 597 CA GLY A 55 -15.173 -9.368 16.275 1.00 10.71 C ATOM 598 C GLY A 55 -14.860 -8.938 14.833 1.00 10.22 C ATOM 599 O GLY A 55 -15.745 -8.410 14.161 1.00 11.29 O ATOM 600 H GLY A 55 -13.644 -10.444 17.286 1.00 11.85 H ATOM 601 HA2 GLY A 55 -15.695 -10.323 16.237 1.00 12.85 H ATOM 602 HA3 GLY A 55 -15.867 -8.655 16.725 1.00 12.85 H ATOM 603 N TYR A 56 -13.603 -9.127 14.389 1.00 8.53 N ATOM 604 CA TYR A 56 -13.023 -8.777 13.087 1.00 8.67 C ATOM 605 C TYR A 56 -12.444 -7.348 13.024 1.00 8.03 C ATOM 606 O TYR A 56 -12.114 -6.876 11.935 1.00 10.00 O ATOM 607 CB TYR A 56 -13.922 -9.145 11.877 1.00 10.14 C ATOM 608 CG TYR A 56 -14.464 -10.566 11.809 1.00 9.25 C ATOM 609 CD1 TYR A 56 -13.637 -11.669 12.101 1.00 8.59 C ATOM 610 CD2 TYR A 56 -15.801 -10.791 11.415 1.00 10.36 C ATOM 611 CE1 TYR A 56 -14.132 -12.980 11.983 1.00 8.74 C ATOM 612 CE2 TYR A 56 -16.302 -12.103 11.313 1.00 11.22 C ATOM 613 CZ TYR A 56 -15.466 -13.201 11.593 1.00 8.27 C ATOM 614 OH TYR A 56 -15.950 -14.473 11.495 1.00 10.54 O ATOM 615 H TYR A 56 -12.964 -9.566 15.039 1.00 10.24 H ATOM 616 HA TYR A 56 -12.138 -9.409 13.019 1.00 10.40 H ATOM 617 HB2 TYR A 56 -14.750 -8.439 11.803 1.00 12.17 H ATOM 618 HB3 TYR A 56 -13.348 -9.005 10.965 1.00 12.17 H ATOM 619 HD1 TYR A 56 -12.610 -11.521 12.398 1.00 10.31 H ATOM 620 HD2 TYR A 56 -16.445 -9.955 11.184 1.00 12.44 H ATOM 621 HE1 TYR A 56 -13.477 -13.809 12.195 1.00 10.49 H ATOM 622 HE2 TYR A 56 -17.326 -12.265 11.015 1.00 13.47 H ATOM 623 HH TYR A 56 -15.308 -15.127 11.731 1.00 12.65 H ATOM 624 N ASN A 57 -12.331 -6.658 14.174 1.00 9.64 N ATOM 625 CA ASN A 57 -11.924 -5.258 14.292 1.00 9.61 C ATOM 626 C ASN A 57 -10.395 -5.153 14.429 1.00 8.54 C ATOM 627 O ASN A 57 -9.814 -5.666 15.385 1.00 9.69 O ATOM 628 CB ASN A 57 -12.595 -4.683 15.564 1.00 9.00 C ATOM 629 CG ASN A 57 -12.483 -3.157 15.692 1.00 9.01 C ATOM 630 OD1 ASN A 57 -12.340 -2.444 14.701 1.00 9.75 O ATOM 631 ND2 ASN A 57 -12.521 -2.651 16.926 1.00 10.80 N ATOM 632 H ASN A 57 -12.587 -7.131 15.029 1.00 11.57 H ATOM 633 HA ASN A 57 -12.271 -4.710 13.419 1.00 11.53 H ATOM 634 HB2 ASN A 57 -13.659 -4.925 15.555 1.00 10.80 H ATOM 635 HB3 ASN A 57 -12.192 -5.155 16.462 1.00 10.80 H ATOM 636 HD21 ASN A 57 -12.453 -1.653 17.060 1.00 12.97 H ATOM 637 HD22 ASN A 57 -12.641 -3.264 17.719 1.00 12.97 H ATOM 638 N THR A 58 -9.755 -4.443 13.486 1.00 8.53 N ATOM 639 CA THR A 58 -8.308 -4.235 13.442 1.00 9.03 C ATOM 640 C THR A 58 -7.825 -3.148 14.420 1.00 10.21 C ATOM 641 O THR A 58 -6.694 -3.249 14.881 1.00 10.36 O ATOM 642 CB THR A 58 -7.859 -3.847 12.008 1.00 9.50 C ATOM 643 OG1 THR A 58 -8.300 -2.563 11.604 1.00 9.02 O ATOM 644 CG2 THR A 58 -8.239 -4.861 10.925 1.00 9.07 C ATOM 645 H THR A 58 -10.301 -4.040 12.734 1.00 10.24 H ATOM 646 HA THR A 58 -7.815 -5.170 13.713 1.00 10.84 H ATOM 647 HB THR A 58 -6.770 -3.797 12.029 1.00 11.40 H ATOM 648 HG1 THR A 58 -7.704 -2.245 10.940 1.00 10.83 H ATOM 649 HG21 THR A 58 -7.809 -4.568 9.967 1.00 10.88 H ATOM 650 HG22 THR A 58 -7.857 -5.852 11.167 1.00 10.88 H ATOM 651 HG23 THR A 58 -9.319 -4.938 10.797 1.00 10.88 H ATOM 652 N ARG A 59 -8.635 -2.123 14.746 1.00 9.47 N ATOM 653 CA ARG A 59 -8.193 -0.986 15.568 1.00 12.65 C ATOM 654 C ARG A 59 -8.373 -1.228 17.083 1.00 16.50 C ATOM 655 O ARG A 59 -8.130 -0.313 17.871 1.00 30.02 O ATOM 656 CB ARG A 59 -8.941 0.296 15.120 1.00 14.01 C ATOM 657 CG ARG A 59 -10.383 0.507 15.640 0.87 12.49 C ATOM 658 CD ARG A 59 -11.017 1.836 15.192 0.76 10.72 C ATOM 659 NE ARG A 59 -10.159 2.995 15.488 0.78 11.64 N ATOM 660 CZ ARG A 59 -9.939 3.552 16.692 0.72 9.90 C ATOM 661 NH1 ARG A 59 -10.530 3.087 17.802 1.00 15.32 N ATOM 662 NH2 ARG A 59 -9.103 4.594 16.784 0.89 14.33 N1+ ATOM 663 H ARG A 59 -9.567 -2.098 14.358 1.00 11.36 H ATOM 664 HA ARG A 59 -7.130 -0.813 15.390 1.00 15.19 H ATOM 665 HB2 ARG A 59 -8.331 1.139 15.447 1.00 16.81 H ATOM 666 HB3 ARG A 59 -8.939 0.351 14.031 1.00 16.81 H ATOM 667 HG2 ARG A 59 -11.007 -0.314 15.292 0.00 14.99 H ATOM 668 HG3 ARG A 59 -10.423 0.467 16.728 0.97 14.99 H ATOM 669 HD2 ARG A 59 -11.186 1.812 14.115 0.92 12.86 H ATOM 670 HD3 ARG A 59 -11.994 1.972 15.657 0.00 12.86 H ATOM 671 HE ARG A 59 -9.663 3.376 14.694 1.00 13.97 H ATOM 672 HH11 ARG A 59 -11.158 2.299 17.746 1.00 18.39 H ATOM 673 HH12 ARG A 59 -10.345 3.510 18.700 1.00 18.39 H ATOM 674 HH21 ARG A 59 -8.646 4.958 15.961 0.00 17.20 H ATOM 675 HH22 ARG A 59 -8.918 5.025 17.679 0.85 17.20 H ATOM 676 N ALA A 60 -8.792 -2.439 17.492 1.00 15.68 N ATOM 677 CA ALA A 60 -9.074 -2.827 18.871 1.00 22.83 C ATOM 678 C ALA A 60 -7.803 -2.877 19.736 1.00 20.53 C ATOM 679 O ALA A 60 -6.789 -3.446 19.329 1.00 12.68 O ATOM 680 CB ALA A 60 -9.726 -4.220 18.849 1.00 25.64 C ATOM 681 H ALA A 60 -8.939 -3.143 16.783 1.00 18.82 H ATOM 682 HA ALA A 60 -9.779 -2.110 19.296 1.00 27.39 H ATOM 683 HB1 ALA A 60 -9.940 -4.576 19.858 1.00 30.77 H ATOM 684 HB2 ALA A 60 -10.669 -4.206 18.305 1.00 30.77 H ATOM 685 HB3 ALA A 60 -9.085 -4.957 18.363 1.00 30.77 H ATOM 686 N THR A 61 -7.898 -2.302 20.945 1.00 20.69 N ATOM 687 CA THR A 61 -6.889 -2.325 22.003 1.00 14.73 C ATOM 688 C THR A 61 -7.566 -2.643 23.340 1.00 17.23 C ATOM 689 O THR A 61 -8.580 -2.028 23.675 1.00 18.36 O ATOM 690 CB THR A 61 -6.043 -1.026 22.041 1.00 21.49 C ATOM 691 OG1 THR A 61 -6.836 0.112 22.323 1.00 29.61 O ATOM 692 CG2 THR A 61 -5.220 -0.774 20.776 1.00 21.21 C ATOM 693 H THR A 61 -8.769 -1.851 21.183 1.00 24.82 H ATOM 694 HA THR A 61 -6.208 -3.145 21.789 1.00 17.68 H ATOM 695 HB THR A 61 -5.336 -1.119 22.867 1.00 25.79 H ATOM 696 HG1 THR A 61 -7.309 -0.044 23.128 1.00 35.53 H ATOM 697 HG21 THR A 61 -4.565 0.090 20.896 1.00 25.45 H ATOM 698 HG22 THR A 61 -4.595 -1.638 20.565 1.00 25.45 H ATOM 699 HG23 THR A 61 -5.854 -0.593 19.908 1.00 25.45 H ATOM 700 N ASN A 62 -6.986 -3.579 24.107 1.00 14.95 N ATOM 701 CA ASN A 62 -7.440 -3.989 25.436 1.00 16.66 C ATOM 702 C ASN A 62 -6.239 -4.062 26.380 1.00 13.10 C ATOM 703 O ASN A 62 -5.361 -4.903 26.195 1.00 12.43 O ATOM 704 CB ASN A 62 -8.237 -5.314 25.378 1.00 16.81 C ATOM 705 CG ASN A 62 -9.603 -5.173 24.698 1.00 33.44 C ATOM 706 OD1 ASN A 62 -10.499 -4.523 25.231 1.00 24.52 O ATOM 707 ND2 ASN A 62 -9.764 -5.763 23.513 1.00 26.13 N ATOM 708 H ASN A 62 -6.159 -4.041 23.750 1.00 17.94 H ATOM 709 HA ASN A 62 -8.104 -3.223 25.843 1.00 19.99 H ATOM 710 HB2 ASN A 62 -7.649 -6.087 24.881 1.00 20.17 H ATOM 711 HB3 ASN A 62 -8.417 -5.680 26.390 1.00 20.17 H ATOM 712 HD21 ASN A 62 -9.000 -6.291 23.105 1.00 31.36 H ATOM 713 HD22 ASN A 62 -10.650 -5.694 23.034 1.00 31.36 H ATOM 714 N TYR A 63 -6.214 -3.178 27.391 1.00 13.64 N ATOM 715 CA TYR A 63 -5.181 -3.108 28.422 1.00 14.52 C ATOM 716 C TYR A 63 -5.457 -4.171 29.496 1.00 14.84 C ATOM 717 O TYR A 63 -6.558 -4.244 30.044 1.00 15.92 O ATOM 718 CB TYR A 63 -5.234 -1.708 29.078 1.00 12.30 C ATOM 719 CG TYR A 63 -4.257 -1.479 30.225 1.00 13.76 C ATOM 720 CD1 TYR A 63 -2.868 -1.570 30.000 1.00 12.86 C ATOM 721 CD2 TYR A 63 -4.728 -1.182 31.521 1.00 16.08 C ATOM 722 CE1 TYR A 63 -1.957 -1.366 31.051 1.00 13.60 C ATOM 723 CE2 TYR A 63 -3.817 -0.973 32.576 1.00 14.06 C ATOM 724 CZ TYR A 63 -2.431 -1.068 32.342 1.00 15.19 C ATOM 725 OH TYR A 63 -1.547 -0.874 33.362 1.00 18.21 O ATOM 726 H TYR A 63 -6.983 -2.530 27.473 1.00 16.37 H ATOM 727 HA TYR A 63 -4.199 -3.265 27.974 1.00 17.43 H ATOM 728 HB2 TYR A 63 -5.028 -0.952 28.320 1.00 14.76 H ATOM 729 HB3 TYR A 63 -6.246 -1.501 29.432 1.00 14.76 H ATOM 730 HD1 TYR A 63 -2.494 -1.805 29.020 1.00 15.43 H ATOM 731 HD2 TYR A 63 -5.789 -1.115 31.714 1.00 19.29 H ATOM 732 HE1 TYR A 63 -0.897 -1.440 30.860 1.00 16.32 H ATOM 733 HE2 TYR A 63 -4.184 -0.746 33.566 1.00 16.88 H ATOM 734 HH TYR A 63 -0.649 -0.956 33.081 1.00 21.86 H ATOM 735 N ASN A 64 -4.421 -4.961 29.807 1.00 12.94 N ATOM 736 CA ASN A 64 -4.392 -5.943 30.884 1.00 14.89 C ATOM 737 C ASN A 64 -3.684 -5.270 32.066 1.00 12.52 C ATOM 738 O ASN A 64 -2.464 -5.102 32.061 1.00 12.34 O ATOM 739 CB ASN A 64 -3.574 -7.174 30.426 1.00 13.89 C ATOM 740 CG ASN A 64 -4.208 -7.880 29.226 1.00 23.79 C ATOM 741 OD1 ASN A 64 -5.280 -8.467 29.348 1.00 22.60 O ATOM 742 ND2 ASN A 64 -3.570 -7.793 28.058 1.00 30.37 N ATOM 743 H ASN A 64 -3.548 -4.812 29.316 1.00 15.53 H ATOM 744 HA ASN A 64 -5.398 -6.254 31.171 1.00 17.87 H ATOM 745 HB2 ASN A 64 -2.551 -6.891 30.176 1.00 16.67 H ATOM 746 HB3 ASN A 64 -3.498 -7.897 31.240 1.00 16.67 H ATOM 747 HD21 ASN A 64 -2.689 -7.305 27.991 1.00 36.44 H ATOM 748 HD22 ASN A 64 -3.993 -8.214 27.236 1.00 36.44 H ATOM 749 N ALA A 65 -4.469 -4.868 33.077 1.00 14.23 N ATOM 750 CA ALA A 65 -4.002 -4.150 34.266 1.00 15.03 C ATOM 751 C ALA A 65 -3.283 -5.052 35.287 1.00 13.29 C ATOM 752 O ALA A 65 -2.637 -4.532 36.196 1.00 15.98 O ATOM 753 CB ALA A 65 -5.229 -3.522 34.948 1.00 16.68 C ATOM 754 H ALA A 65 -5.463 -5.027 32.997 1.00 17.07 H ATOM 755 HA ALA A 65 -3.312 -3.362 33.965 1.00 18.03 H ATOM 756 HB1 ALA A 65 -4.941 -2.936 35.822 1.00 20.02 H ATOM 757 HB2 ALA A 65 -5.751 -2.849 34.268 1.00 20.02 H ATOM 758 HB3 ALA A 65 -5.941 -4.281 35.276 1.00 20.02 H ATOM 759 N GLY A 66 -3.369 -6.385 35.130 1.00 14.25 N ATOM 760 CA GLY A 66 -2.749 -7.378 36.003 1.00 14.41 C ATOM 761 C GLY A 66 -1.249 -7.600 35.765 1.00 14.03 C ATOM 762 O GLY A 66 -0.587 -8.152 36.642 1.00 13.49 O ATOM 763 H GLY A 66 -3.912 -6.732 34.352 1.00 17.11 H ATOM 764 HA2 GLY A 66 -2.911 -7.106 37.048 1.00 17.29 H ATOM 765 HA3 GLY A 66 -3.260 -8.329 35.850 1.00 17.29 H ATOM 766 N ASP A 67 -0.711 -7.165 34.611 1.00 12.94 N ATOM 767 CA ASP A 67 0.703 -7.297 34.235 1.00 13.69 C ATOM 768 C ASP A 67 1.249 -6.051 33.511 1.00 11.28 C ATOM 769 O ASP A 67 2.461 -5.952 33.331 1.00 12.51 O ATOM 770 CB ASP A 67 0.947 -8.627 33.475 1.00 13.45 C ATOM 771 CG ASP A 67 0.531 -8.621 31.997 1.00 14.70 C ATOM 772 OD1 ASP A 67 -0.549 -8.070 31.691 1.00 13.41 O ATOM 773 OD2 ASP A 67 1.330 -9.134 31.185 1.00 17.51 O1- ATOM 774 H ASP A 67 -1.332 -6.762 33.925 1.00 15.53 H ATOM 775 HA ASP A 67 1.286 -7.350 35.156 1.00 16.43 H ATOM 776 HB2 ASP A 67 2.012 -8.863 33.521 1.00 16.15 H ATOM 777 HB3 ASP A 67 0.440 -9.452 33.975 1.00 16.15 H ATOM 778 N ARG A 68 0.373 -5.126 33.082 1.00 10.42 N ATOM 779 CA ARG A 68 0.665 -3.860 32.400 1.00 12.11 C ATOM 780 C ARG A 68 0.863 -3.989 30.877 1.00 14.54 C ATOM 781 O ARG A 68 1.261 -3.017 30.236 0.96 14.73 O ATOM 782 CB ARG A 68 1.730 -2.988 33.109 1.00 15.70 C ATOM 783 CG ARG A 68 1.433 -2.705 34.590 1.00 13.65 C ATOM 784 CD ARG A 68 2.452 -1.740 35.207 1.00 15.13 C ATOM 785 NE ARG A 68 2.164 -1.505 36.628 0.69 11.92 N ATOM 786 CZ ARG A 68 1.403 -0.518 37.131 0.86 12.89 C ATOM 787 NH1 ARG A 68 0.791 0.373 36.337 0.88 14.94 N ATOM 788 NH2 ARG A 68 1.246 -0.426 38.457 1.00 14.20 N1+ ATOM 789 H ARG A 68 -0.607 -5.315 33.234 1.00 12.50 H ATOM 790 HA ARG A 68 -0.272 -3.311 32.487 1.00 14.54 H ATOM 791 HB2 ARG A 68 2.713 -3.445 33.021 1.00 18.85 H ATOM 792 HB3 ARG A 68 1.809 -2.032 32.589 1.00 18.85 H ATOM 793 HG2 ARG A 68 0.431 -2.287 34.688 1.00 16.38 H ATOM 794 HG3 ARG A 68 1.431 -3.636 35.158 1.00 16.38 H ATOM 795 HD2 ARG A 68 3.452 -2.167 35.134 1.00 18.16 H ATOM 796 HD3 ARG A 68 2.480 -0.795 34.663 1.00 18.16 H ATOM 797 HE ARG A 68 2.572 -2.170 37.270 0.61 14.30 H ATOM 798 HH11 ARG A 68 0.897 0.311 35.335 0.26 17.93 H ATOM 799 HH12 ARG A 68 0.216 1.104 36.728 0.01 17.93 H ATOM 800 HH21 ARG A 68 1.695 -1.089 39.073 1.00 17.04 H ATOM 801 HH22 ARG A 68 0.675 0.304 38.856 1.00 17.04 H ATOM 802 N SER A 69 0.568 -5.164 30.291 1.00 12.46 N ATOM 803 CA SER A 69 0.586 -5.399 28.846 1.00 11.30 C ATOM 804 C SER A 69 -0.720 -4.914 28.190 1.00 11.21 C ATOM 805 O SER A 69 -1.705 -4.626 28.870 1.00 10.56 O ATOM 806 CB SER A 69 0.798 -6.907 28.582 1.00 11.03 C ATOM 807 OG SER A 69 -0.335 -7.704 28.872 1.00 11.98 O ATOM 808 H SER A 69 0.227 -5.916 30.875 1.00 14.96 H ATOM 809 HA SER A 69 1.415 -4.851 28.404 1.00 13.56 H ATOM 810 HB2 SER A 69 1.044 -7.055 27.530 1.00 13.24 H ATOM 811 HB3 SER A 69 1.653 -7.281 29.146 1.00 13.24 H ATOM 812 HG SER A 69 -0.411 -7.792 29.817 1.00 14.38 H ATOM 813 N THR A 70 -0.716 -4.832 26.853 1.00 9.48 N ATOM 814 CA THR A 70 -1.866 -4.488 26.022 1.00 10.61 C ATOM 815 C THR A 70 -1.929 -5.487 24.860 1.00 9.70 C ATOM 816 O THR A 70 -0.907 -5.810 24.256 1.00 9.33 O ATOM 817 CB THR A 70 -1.786 -3.005 25.574 1.00 9.35 C ATOM 818 OG1 THR A 70 -1.844 -2.153 26.694 1.00 10.49 O ATOM 819 CG2 THR A 70 -2.928 -2.561 24.641 1.00 11.80 C ATOM 820 H THR A 70 0.138 -5.060 26.359 1.00 11.38 H ATOM 821 HA THR A 70 -2.780 -4.623 26.602 1.00 12.73 H ATOM 822 HB THR A 70 -0.825 -2.821 25.100 1.00 11.22 H ATOM 823 HG1 THR A 70 -1.134 -2.388 27.274 1.00 12.59 H ATOM 824 HG21 THR A 70 -2.840 -1.504 24.389 1.00 14.16 H ATOM 825 HG22 THR A 70 -2.925 -3.112 23.701 1.00 14.16 H ATOM 826 HG23 THR A 70 -3.902 -2.708 25.106 1.00 14.16 H ATOM 827 N ASP A 71 -3.144 -5.949 24.540 1.00 10.29 N ATOM 828 CA ASP A 71 -3.463 -6.774 23.378 1.00 9.50 C ATOM 829 C ASP A 71 -3.884 -5.855 22.224 1.00 9.43 C ATOM 830 O ASP A 71 -4.674 -4.934 22.428 1.00 12.21 O ATOM 831 CB ASP A 71 -4.656 -7.683 23.729 1.00 11.63 C ATOM 832 CG ASP A 71 -4.367 -8.678 24.853 1.00 14.48 C ATOM 833 OD1 ASP A 71 -3.312 -9.343 24.779 1.00 17.84 O ATOM 834 OD2 ASP A 71 -5.199 -8.744 25.783 1.00 22.06 O1- ATOM 835 H ASP A 71 -3.929 -5.644 25.102 1.00 12.35 H ATOM 836 HA ASP A 71 -2.608 -7.381 23.079 1.00 11.40 H ATOM 837 HB2 ASP A 71 -5.517 -7.079 24.017 1.00 13.96 H ATOM 838 HB3 ASP A 71 -4.944 -8.249 22.850 1.00 13.96 H ATOM 839 N TYR A 72 -3.328 -6.099 21.027 1.00 8.76 N ATOM 840 CA TYR A 72 -3.436 -5.240 19.848 1.00 9.97 C ATOM 841 C TYR A 72 -3.910 -6.024 18.622 1.00 10.08 C ATOM 842 O TYR A 72 -3.407 -7.112 18.342 1.00 8.53 O ATOM 843 CB TYR A 72 -2.056 -4.630 19.542 1.00 8.72 C ATOM 844 CG TYR A 72 -1.562 -3.597 20.531 1.00 10.11 C ATOM 845 CD1 TYR A 72 -0.754 -3.982 21.618 1.00 9.30 C ATOM 846 CD2 TYR A 72 -1.865 -2.235 20.337 1.00 10.66 C ATOM 847 CE1 TYR A 72 -0.250 -3.005 22.495 1.00 10.18 C ATOM 848 CE2 TYR A 72 -1.378 -1.260 21.227 1.00 10.32 C ATOM 849 CZ TYR A 72 -0.565 -1.647 22.308 1.00 8.28 C ATOM 850 OH TYR A 72 -0.082 -0.715 23.178 1.00 11.00 O ATOM 851 H TYR A 72 -2.690 -6.881 20.955 1.00 10.51 H ATOM 852 HA TYR A 72 -4.145 -4.429 20.025 1.00 11.97 H ATOM 853 HB2 TYR A 72 -1.312 -5.426 19.475 1.00 10.46 H ATOM 854 HB3 TYR A 72 -2.070 -4.153 18.561 1.00 10.46 H ATOM 855 HD1 TYR A 72 -0.500 -5.022 21.765 1.00 11.16 H ATOM 856 HD2 TYR A 72 -2.462 -1.938 19.492 1.00 12.79 H ATOM 857 HE1 TYR A 72 0.378 -3.294 23.321 1.00 12.22 H ATOM 858 HE2 TYR A 72 -1.619 -0.219 21.072 1.00 12.38 H ATOM 859 HH TYR A 72 0.522 -1.088 23.810 1.00 13.20 H ATOM 860 N GLY A 73 -4.810 -5.415 17.839 1.00 8.94 N ATOM 861 CA GLY A 73 -5.150 -5.853 16.493 1.00 8.48 C ATOM 862 C GLY A 73 -6.352 -6.792 16.406 1.00 9.58 C ATOM 863 O GLY A 73 -7.082 -7.001 17.374 1.00 9.01 O ATOM 864 H GLY A 73 -5.203 -4.536 18.149 1.00 10.73 H ATOM 865 HA2 GLY A 73 -5.360 -4.967 15.907 1.00 10.18 H ATOM 866 HA3 GLY A 73 -4.289 -6.327 16.018 1.00 10.18 H ATOM 867 N ILE A 74 -6.537 -7.356 15.203 1.00 8.28 N ATOM 868 CA ILE A 74 -7.602 -8.293 14.843 1.00 8.77 C ATOM 869 C ILE A 74 -7.456 -9.671 15.528 1.00 8.20 C ATOM 870 O ILE A 74 -8.451 -10.370 15.709 1.00 8.99 O ATOM 871 CB ILE A 74 -7.649 -8.406 13.292 1.00 7.92 C ATOM 872 CG1 ILE A 74 -8.924 -9.120 12.795 1.00 9.22 C ATOM 873 CG2 ILE A 74 -6.378 -9.027 12.671 1.00 8.93 C ATOM 874 CD1 ILE A 74 -9.298 -8.773 11.348 1.00 8.99 C ATOM 875 H ILE A 74 -5.887 -7.112 14.469 1.00 9.93 H ATOM 876 HA ILE A 74 -8.536 -7.854 15.185 1.00 10.53 H ATOM 877 HB ILE A 74 -7.710 -7.382 12.924 1.00 9.51 H ATOM 878 HG12 ILE A 74 -8.813 -10.199 12.898 1.00 11.06 H ATOM 879 HG13 ILE A 74 -9.765 -8.840 13.430 1.00 11.06 H ATOM 880 HG21 ILE A 74 -6.391 -8.955 11.584 1.00 10.72 H ATOM 881 HG22 ILE A 74 -5.471 -8.525 13.009 1.00 10.72 H ATOM 882 HG23 ILE A 74 -6.285 -10.084 12.921 1.00 10.72 H ATOM 883 HD11 ILE A 74 -10.227 -9.264 11.064 1.00 10.79 H ATOM 884 HD12 ILE A 74 -9.450 -7.701 11.226 1.00 10.79 H ATOM 885 HD13 ILE A 74 -8.528 -9.085 10.643 1.00 10.79 H ATOM 886 N PHE A 75 -6.230 -10.041 15.931 1.00 9.03 N ATOM 887 CA PHE A 75 -5.911 -11.282 16.635 1.00 8.83 C ATOM 888 C PHE A 75 -5.639 -11.049 18.133 1.00 9.36 C ATOM 889 O PHE A 75 -5.526 -12.031 18.863 1.00 10.32 O ATOM 890 CB PHE A 75 -4.642 -11.882 15.993 1.00 9.08 C ATOM 891 CG PHE A 75 -4.792 -12.300 14.540 1.00 8.99 C ATOM 892 CD1 PHE A 75 -5.773 -13.243 14.167 1.00 9.98 C ATOM 893 CD2 PHE A 75 -3.941 -11.755 13.555 1.00 11.34 C ATOM 894 CE1 PHE A 75 -5.887 -13.659 12.828 1.00 12.85 C ATOM 895 CE2 PHE A 75 -4.057 -12.167 12.213 1.00 12.32 C ATOM 896 CZ PHE A 75 -5.023 -13.125 11.853 1.00 12.44 C ATOM 897 H PHE A 75 -5.464 -9.413 15.741 1.00 10.84 H ATOM 898 HA PHE A 75 -6.730 -12.000 16.563 1.00 10.59 H ATOM 899 HB2 PHE A 75 -3.823 -11.167 16.070 1.00 10.90 H ATOM 900 HB3 PHE A 75 -4.323 -12.767 16.546 1.00 10.90 H ATOM 901 HD1 PHE A 75 -6.437 -13.660 14.909 1.00 11.97 H ATOM 902 HD2 PHE A 75 -3.188 -11.028 13.823 1.00 13.61 H ATOM 903 HE1 PHE A 75 -6.630 -14.391 12.550 1.00 15.42 H ATOM 904 HE2 PHE A 75 -3.398 -11.755 11.464 1.00 14.78 H ATOM 905 HZ PHE A 75 -5.097 -13.455 10.830 1.00 14.92 H ATOM 906 N GLN A 76 -5.517 -9.786 18.593 1.00 9.36 N ATOM 907 CA GLN A 76 -5.296 -9.377 19.991 1.00 10.14 C ATOM 908 C GLN A 76 -3.955 -9.896 20.539 1.00 10.71 C ATOM 909 O GLN A 76 -3.884 -10.506 21.605 1.00 11.55 O ATOM 910 CB GLN A 76 -6.520 -9.707 20.878 1.00 9.89 C ATOM 911 CG GLN A 76 -7.728 -8.792 20.612 1.00 12.05 C ATOM 912 CD GLN A 76 -7.521 -7.358 21.105 1.00 10.74 C ATOM 913 OE1 GLN A 76 -7.458 -7.113 22.305 1.00 12.83 O ATOM 914 NE2 GLN A 76 -7.432 -6.398 20.187 1.00 10.48 N ATOM 915 H GLN A 76 -5.635 -9.038 17.925 1.00 11.23 H ATOM 916 HA GLN A 76 -5.179 -8.295 19.977 1.00 12.17 H ATOM 917 HB2 GLN A 76 -6.807 -10.742 20.724 1.00 11.87 H ATOM 918 HB3 GLN A 76 -6.277 -9.656 21.937 1.00 11.87 H ATOM 919 HG2 GLN A 76 -8.005 -8.806 19.557 1.00 14.46 H ATOM 920 HG3 GLN A 76 -8.573 -9.194 21.165 1.00 14.46 H ATOM 921 HE21 GLN A 76 -7.469 -6.632 19.202 1.00 12.58 H ATOM 922 HE22 GLN A 76 -7.280 -5.441 20.472 1.00 12.58 H ATOM 923 N ILE A 77 -2.890 -9.663 19.760 1.00 9.27 N ATOM 924 CA ILE A 77 -1.513 -10.067 20.015 1.00 9.59 C ATOM 925 C ILE A 77 -0.919 -9.171 21.119 1.00 10.77 C ATOM 926 O ILE A 77 -0.938 -7.943 21.014 1.00 9.71 O ATOM 927 CB ILE A 77 -0.746 -9.957 18.666 1.00 8.88 C ATOM 928 CG1 ILE A 77 -1.191 -11.086 17.703 1.00 10.69 C ATOM 929 CG2 ILE A 77 0.781 -9.978 18.827 1.00 9.97 C ATOM 930 CD1 ILE A 77 -0.822 -10.858 16.229 1.00 11.50 C ATOM 931 H ILE A 77 -3.050 -9.126 18.919 1.00 11.12 H ATOM 932 HA ILE A 77 -1.500 -11.106 20.352 1.00 11.52 H ATOM 933 HB ILE A 77 -1.009 -9.003 18.209 1.00 10.66 H ATOM 934 HG12 ILE A 77 -0.772 -12.035 18.039 1.00 12.83 H ATOM 935 HG13 ILE A 77 -2.271 -11.212 17.755 1.00 12.83 H ATOM 936 HG21 ILE A 77 1.274 -9.916 17.864 1.00 11.97 H ATOM 937 HG22 ILE A 77 1.150 -9.130 19.404 1.00 11.97 H ATOM 938 HG23 ILE A 77 1.106 -10.898 19.312 1.00 11.97 H ATOM 939 HD11 ILE A 77 -1.236 -11.648 15.603 1.00 13.81 H ATOM 940 HD12 ILE A 77 -1.215 -9.909 15.863 1.00 13.81 H ATOM 941 HD13 ILE A 77 0.256 -10.860 16.072 1.00 13.81 H ATOM 942 N ASN A 78 -0.410 -9.819 22.177 1.00 10.18 N ATOM 943 CA ASN A 78 0.039 -9.209 23.426 1.00 9.75 C ATOM 944 C ASN A 78 1.462 -8.633 23.288 1.00 10.77 C ATOM 945 O ASN A 78 2.353 -9.243 22.697 1.00 11.55 O ATOM 946 CB ASN A 78 0.026 -10.319 24.500 1.00 11.51 C ATOM 947 CG ASN A 78 0.098 -9.761 25.922 1.00 11.65 C ATOM 948 OD1 ASN A 78 1.184 -9.618 26.475 1.00 13.26 O ATOM 949 ND2 ASN A 78 -1.050 -9.441 26.515 1.00 13.26 N ATOM 950 H ASN A 78 -0.437 -10.828 22.159 1.00 12.22 H ATOM 951 HA ASN A 78 -0.664 -8.423 23.701 1.00 11.70 H ATOM 952 HB2 ASN A 78 -0.894 -10.903 24.421 1.00 13.81 H ATOM 953 HB3 ASN A 78 0.843 -11.026 24.347 1.00 13.81 H ATOM 954 HD21 ASN A 78 -1.036 -9.054 27.451 1.00 15.91 H ATOM 955 HD22 ASN A 78 -1.927 -9.536 26.009 1.00 15.91 H ATOM 956 N SER A 79 1.662 -7.448 23.878 1.00 9.38 N ATOM 957 CA SER A 79 2.885 -6.652 23.827 1.00 10.10 C ATOM 958 C SER A 79 3.962 -7.042 24.859 1.00 11.02 C ATOM 959 O SER A 79 4.978 -6.353 24.942 1.00 13.62 O ATOM 960 CB SER A 79 2.459 -5.189 24.037 1.00 9.94 C ATOM 961 OG SER A 79 1.908 -4.960 25.320 1.00 10.82 O ATOM 962 H SER A 79 0.874 -7.015 24.341 1.00 11.25 H ATOM 963 HA SER A 79 3.324 -6.751 22.834 1.00 12.12 H ATOM 964 HB2 SER A 79 3.297 -4.507 23.883 1.00 11.93 H ATOM 965 HB3 SER A 79 1.717 -4.938 23.283 1.00 11.93 H ATOM 966 HG SER A 79 2.618 -4.856 25.941 1.00 12.98 H ATOM 967 N ARG A 80 3.781 -8.133 25.624 1.00 12.57 N ATOM 968 CA ARG A 80 4.796 -8.659 26.541 1.00 13.19 C ATOM 969 C ARG A 80 5.862 -9.500 25.812 1.00 15.61 C ATOM 970 O ARG A 80 6.958 -9.666 26.348 1.00 15.07 O ATOM 971 CB ARG A 80 4.099 -9.521 27.620 1.00 16.00 C ATOM 972 CG ARG A 80 5.058 -10.122 28.666 1.00 16.59 C ATOM 973 CD ARG A 80 4.408 -10.408 30.027 1.00 17.15 C ATOM 974 NE ARG A 80 4.141 -9.166 30.765 1.00 17.96 N ATOM 975 CZ ARG A 80 5.060 -8.327 31.274 1.00 14.63 C ATOM 976 NH1 ARG A 80 6.374 -8.580 31.192 1.00 17.35 N ATOM 977 NH2 ARG A 80 4.666 -7.202 31.879 1.00 17.26 N1+ ATOM 978 H ARG A 80 2.914 -8.646 25.540 1.00 15.09 H ATOM 979 HA ARG A 80 5.303 -7.831 27.038 1.00 15.82 H ATOM 980 HB2 ARG A 80 3.363 -8.893 28.124 1.00 19.20 H ATOM 981 HB3 ARG A 80 3.539 -10.334 27.157 1.00 19.20 H ATOM 982 HG2 ARG A 80 5.492 -11.043 28.277 1.00 19.91 H ATOM 983 HG3 ARG A 80 5.897 -9.442 28.808 1.00 19.91 H ATOM 984 HD2 ARG A 80 3.474 -10.957 29.897 1.00 20.58 H ATOM 985 HD3 ARG A 80 5.062 -11.036 30.633 1.00 20.58 H ATOM 986 HE ARG A 80 3.152 -8.952 30.889 1.00 21.56 H ATOM 987 HH11 ARG A 80 6.703 -9.427 30.752 1.00 20.82 H ATOM 988 HH12 ARG A 80 7.041 -7.906 31.547 1.00 20.82 H ATOM 989 HH21 ARG A 80 3.684 -6.992 32.004 1.00 20.71 H ATOM 990 HH22 ARG A 80 5.356 -6.561 32.246 1.00 20.71 H ATOM 991 N TYR A 81 5.569 -10.017 24.606 1.00 12.51 N ATOM 992 CA TYR A 81 6.467 -10.908 23.873 1.00 12.69 C ATOM 993 C TYR A 81 6.513 -10.648 22.364 1.00 13.05 C ATOM 994 O TYR A 81 7.546 -10.916 21.755 1.00 13.13 O ATOM 995 CB TYR A 81 6.186 -12.380 24.256 1.00 15.27 C ATOM 996 CG TYR A 81 7.273 -13.366 23.857 1.00 18.52 C ATOM 997 CD1 TYR A 81 7.228 -14.008 22.603 1.00 17.75 C ATOM 998 CD2 TYR A 81 8.345 -13.632 24.734 1.00 20.09 C ATOM 999 CE1 TYR A 81 8.254 -14.890 22.215 1.00 20.00 C ATOM 1000 CE2 TYR A 81 9.375 -14.513 24.347 1.00 19.28 C ATOM 1001 CZ TYR A 81 9.333 -15.136 23.084 1.00 22.52 C ATOM 1002 OH TYR A 81 10.338 -15.975 22.699 1.00 24.82 O ATOM 1003 H TYR A 81 4.660 -9.826 24.211 1.00 15.01 H ATOM 1004 HA TYR A 81 7.481 -10.688 24.200 1.00 15.22 H ATOM 1005 HB2 TYR A 81 6.056 -12.460 25.336 1.00 18.33 H ATOM 1006 HB3 TYR A 81 5.238 -12.701 23.822 1.00 18.33 H ATOM 1007 HD1 TYR A 81 6.412 -13.807 21.929 1.00 21.30 H ATOM 1008 HD2 TYR A 81 8.390 -13.147 25.698 1.00 24.11 H ATOM 1009 HE1 TYR A 81 8.213 -15.372 21.248 1.00 24.00 H ATOM 1010 HE2 TYR A 81 10.198 -14.699 25.020 1.00 23.14 H ATOM 1011 HH TYR A 81 10.992 -16.103 23.368 1.00 29.78 H ATOM 1012 N TRP A 82 5.425 -10.154 21.753 1.00 11.91 N ATOM 1013 CA TRP A 82 5.263 -10.152 20.298 1.00 12.61 C ATOM 1014 C TRP A 82 5.470 -8.773 19.658 1.00 9.16 C ATOM 1015 O TRP A 82 5.970 -8.721 18.538 1.00 10.86 O ATOM 1016 CB TRP A 82 3.855 -10.678 19.976 1.00 10.88 C ATOM 1017 CG TRP A 82 3.554 -12.032 20.550 1.00 10.66 C ATOM 1018 CD1 TRP A 82 2.608 -12.310 21.476 1.00 10.69 C ATOM 1019 CD2 TRP A 82 4.229 -13.298 20.277 1.00 11.32 C ATOM 1020 NE1 TRP A 82 2.675 -13.643 21.822 1.00 11.88 N ATOM 1021 CE2 TRP A 82 3.668 -14.299 21.129 1.00 11.31 C ATOM 1022 CE3 TRP A 82 5.261 -13.707 19.399 1.00 11.09 C ATOM 1023 CZ2 TRP A 82 4.127 -15.627 21.132 1.00 13.41 C ATOM 1024 CZ3 TRP A 82 5.740 -15.032 19.401 1.00 11.48 C ATOM 1025 CH2 TRP A 82 5.174 -15.989 20.268 1.00 13.76 C ATOM 1026 H TRP A 82 4.609 -9.934 22.306 1.00 14.30 H ATOM 1027 HA TRP A 82 5.979 -10.831 19.832 1.00 15.14 H ATOM 1028 HB2 TRP A 82 3.114 -9.971 20.345 1.00 13.05 H ATOM 1029 HB3 TRP A 82 3.712 -10.736 18.897 1.00 13.05 H ATOM 1030 HD1 TRP A 82 1.926 -11.587 21.895 1.00 12.83 H ATOM 1031 HE1 TRP A 82 2.060 -14.060 22.508 1.00 14.26 H ATOM 1032 HE3 TRP A 82 5.692 -12.988 18.718 1.00 13.30 H ATOM 1033 HZ2 TRP A 82 3.678 -16.361 21.784 1.00 16.09 H ATOM 1034 HZ3 TRP A 82 6.534 -15.323 18.730 1.00 13.78 H ATOM 1035 HH2 TRP A 82 5.521 -17.009 20.251 1.00 16.52 H ATOM 1036 N CYS A 83 5.138 -7.671 20.348 1.00 11.60 N ATOM 1037 CA CYS A 83 5.264 -6.302 19.840 1.00 10.46 C ATOM 1038 C CYS A 83 5.784 -5.351 20.921 1.00 10.93 C ATOM 1039 O CYS A 83 5.557 -5.582 22.107 1.00 10.60 O ATOM 1040 CB CYS A 83 3.972 -5.853 19.122 1.00 11.79 C ATOM 1041 SG CYS A 83 2.521 -5.526 20.170 1.00 11.11 S ATOM 1042 H CYS A 83 4.772 -7.778 21.284 1.00 13.93 H ATOM 1043 HA CYS A 83 6.034 -6.300 19.072 1.00 12.56 H ATOM 1044 HB2 CYS A 83 4.175 -4.951 18.543 1.00 14.15 H ATOM 1045 HB3 CYS A 83 3.691 -6.610 18.390 1.00 14.15 H ATOM 1046 N ASN A 84 6.460 -4.267 20.508 1.00 9.95 N ATOM 1047 CA ASN A 84 6.919 -3.198 21.395 1.00 10.15 C ATOM 1048 C ASN A 84 5.911 -2.038 21.335 1.00 9.84 C ATOM 1049 O ASN A 84 5.615 -1.519 20.258 1.00 9.19 O ATOM 1050 CB ASN A 84 8.293 -2.696 20.889 1.00 9.38 C ATOM 1051 CG ASN A 84 8.948 -1.685 21.839 1.00 11.29 C ATOM 1052 OD1 ASN A 84 9.163 -1.980 23.013 1.00 11.33 O ATOM 1053 ND2 ASN A 84 9.224 -0.475 21.350 1.00 10.85 N ATOM 1054 H ASN A 84 6.610 -4.143 19.515 1.00 11.94 H ATOM 1055 HA ASN A 84 7.019 -3.564 22.420 1.00 12.18 H ATOM 1056 HB2 ASN A 84 8.978 -3.539 20.812 1.00 11.26 H ATOM 1057 HB3 ASN A 84 8.213 -2.280 19.883 1.00 11.26 H ATOM 1058 HD21 ASN A 84 9.642 0.220 21.952 1.00 13.02 H ATOM 1059 HD22 ASN A 84 9.020 -0.257 20.386 1.00 13.02 H ATOM 1060 N ASP A 85 5.437 -1.610 22.514 1.00 9.70 N ATOM 1061 CA ASP A 85 4.650 -0.391 22.728 1.00 9.23 C ATOM 1062 C ASP A 85 5.400 0.601 23.641 1.00 10.79 C ATOM 1063 O ASP A 85 4.926 1.721 23.829 1.00 10.38 O ATOM 1064 CB ASP A 85 3.238 -0.739 23.268 1.00 9.37 C ATOM 1065 CG ASP A 85 3.129 -1.485 24.608 1.00 10.80 C ATOM 1066 OD1 ASP A 85 4.171 -1.767 25.243 1.00 10.73 O ATOM 1067 OD2 ASP A 85 1.966 -1.736 24.992 1.00 10.91 O1- ATOM 1068 H ASP A 85 5.681 -2.133 23.344 1.00 11.64 H ATOM 1069 HA ASP A 85 4.512 0.130 21.780 1.00 11.08 H ATOM 1070 HB2 ASP A 85 2.662 0.182 23.364 1.00 11.24 H ATOM 1071 HB3 ASP A 85 2.707 -1.329 22.522 1.00 11.24 H ATOM 1072 N GLY A 86 6.564 0.207 24.190 1.00 9.82 N ATOM 1073 CA GLY A 86 7.433 1.026 25.032 1.00 11.04 C ATOM 1074 C GLY A 86 6.926 1.274 26.461 1.00 12.20 C ATOM 1075 O GLY A 86 7.514 2.099 27.159 1.00 16.67 O ATOM 1076 H GLY A 86 6.888 -0.726 23.981 1.00 11.79 H ATOM 1077 HA2 GLY A 86 8.403 0.532 25.095 1.00 13.25 H ATOM 1078 HA3 GLY A 86 7.606 1.987 24.546 1.00 13.25 H ATOM 1079 N LYS A 87 5.850 0.591 26.891 1.00 12.38 N ATOM 1080 CA LYS A 87 5.150 0.815 28.160 1.00 12.49 C ATOM 1081 C LYS A 87 4.874 -0.467 28.961 1.00 13.12 C ATOM 1082 O LYS A 87 4.453 -0.367 30.114 1.00 13.86 O ATOM 1083 CB LYS A 87 3.893 1.688 27.938 1.00 13.02 C ATOM 1084 CG LYS A 87 2.848 1.044 27.009 1.00 13.21 C ATOM 1085 CD LYS A 87 1.523 1.813 26.935 1.00 13.58 C ATOM 1086 CE LYS A 87 0.527 1.121 25.994 1.00 16.52 C ATOM 1087 NZ LYS A 87 -0.754 1.841 25.926 1.00 18.09 N1+ ATOM 1088 H LYS A 87 5.423 -0.062 26.246 1.00 14.86 H ATOM 1089 HA LYS A 87 5.806 1.390 28.816 1.00 14.98 H ATOM 1090 HB2 LYS A 87 3.431 1.899 28.904 1.00 15.63 H ATOM 1091 HB3 LYS A 87 4.188 2.657 27.534 1.00 15.63 H ATOM 1092 HG2 LYS A 87 3.268 0.972 26.007 1.00 15.85 H ATOM 1093 HG3 LYS A 87 2.640 0.024 27.332 1.00 15.85 H ATOM 1094 HD2 LYS A 87 1.092 1.892 27.934 1.00 16.29 H ATOM 1095 HD3 LYS A 87 1.711 2.832 26.593 1.00 16.29 H ATOM 1096 HE2 LYS A 87 0.946 1.061 24.989 1.00 19.83 H ATOM 1097 HE3 LYS A 87 0.335 0.100 26.325 1.00 19.83 H ATOM 1098 HZ1 LYS A 87 -1.374 1.353 25.294 1.00 21.71 H ATOM 1099 HZ2 LYS A 87 -1.172 1.877 26.844 1.00 21.71 H ATOM 1100 HZ3 LYS A 87 -0.599 2.779 25.586 1.00 21.71 H ATOM 1101 N THR A 88 5.122 -1.655 28.384 1.00 11.76 N ATOM 1102 CA THR A 88 4.980 -2.941 29.070 1.00 12.41 C ATOM 1103 C THR A 88 6.355 -3.263 29.703 1.00 15.64 C ATOM 1104 O THR A 88 7.344 -3.337 28.970 1.00 13.69 O ATOM 1105 CB THR A 88 4.616 -4.033 28.036 1.00 11.28 C ATOM 1106 OG1 THR A 88 3.432 -3.652 27.369 1.00 11.06 O ATOM 1107 CG2 THR A 88 4.320 -5.397 28.689 1.00 12.99 C ATOM 1108 H THR A 88 5.458 -1.672 27.431 1.00 14.11 H ATOM 1109 HA THR A 88 4.173 -2.882 29.800 1.00 14.89 H ATOM 1110 HB THR A 88 5.396 -4.140 27.280 1.00 13.53 H ATOM 1111 HG1 THR A 88 3.615 -2.895 26.823 1.00 13.27 H ATOM 1112 HG21 THR A 88 3.973 -6.118 27.950 1.00 15.59 H ATOM 1113 HG22 THR A 88 5.198 -5.820 29.176 1.00 15.59 H ATOM 1114 HG23 THR A 88 3.545 -5.309 29.451 1.00 15.59 H ATOM 1115 N PRO A 89 6.452 -3.435 31.042 1.00 15.61 N ATOM 1116 CA PRO A 89 7.733 -3.597 31.744 1.00 15.27 C ATOM 1117 C PRO A 89 8.292 -5.023 31.598 1.00 16.56 C ATOM 1118 O PRO A 89 7.579 -6.000 31.830 1.00 18.85 O ATOM 1119 CB PRO A 89 7.401 -3.285 33.211 1.00 18.75 C ATOM 1120 CG PRO A 89 5.938 -3.670 33.367 1.00 19.79 C ATOM 1121 CD PRO A 89 5.334 -3.404 31.988 1.00 16.10 C ATOM 1122 HA PRO A 89 8.464 -2.874 31.375 1.00 18.32 H ATOM 1123 HB2 PRO A 89 8.046 -3.797 33.927 1.00 22.51 H ATOM 1124 HB3 PRO A 89 7.513 -2.214 33.386 1.00 22.51 H ATOM 1125 HG2 PRO A 89 5.859 -4.732 33.605 1.00 23.76 H ATOM 1126 HG3 PRO A 89 5.438 -3.117 34.162 1.00 23.76 H ATOM 1127 HD2 PRO A 89 4.578 -4.149 31.739 1.00 19.33 H ATOM 1128 HD3 PRO A 89 4.869 -2.418 31.971 1.00 19.33 H ATOM 1129 N GLY A 90 9.575 -5.128 31.214 1.00 18.12 N ATOM 1130 CA GLY A 90 10.292 -6.389 31.016 1.00 20.13 C ATOM 1131 C GLY A 90 9.925 -7.139 29.726 1.00 17.86 C ATOM 1132 O GLY A 90 10.218 -8.328 29.617 1.00 21.94 O ATOM 1133 H GLY A 90 10.091 -4.278 31.043 1.00 21.75 H ATOM 1134 HA2 GLY A 90 11.360 -6.175 30.994 1.00 24.16 H ATOM 1135 HA3 GLY A 90 10.125 -7.045 31.872 1.00 24.16 H ATOM 1136 N ALA A 91 9.265 -6.461 28.772 1.00 18.22 N ATOM 1137 CA ALA A 91 8.748 -7.030 27.532 1.00 13.72 C ATOM 1138 C ALA A 91 9.833 -7.210 26.461 1.00 12.70 C ATOM 1139 O ALA A 91 10.891 -6.581 26.512 1.00 18.93 O ATOM 1140 CB ALA A 91 7.711 -6.051 26.969 1.00 18.41 C ATOM 1141 H ALA A 91 9.072 -5.484 28.938 1.00 21.86 H ATOM 1142 HA ALA A 91 8.277 -7.989 27.749 1.00 16.47 H ATOM 1143 HB1 ALA A 91 7.299 -6.408 26.025 1.00 22.10 H ATOM 1144 HB2 ALA A 91 6.882 -5.938 27.662 1.00 22.10 H ATOM 1145 HB3 ALA A 91 8.135 -5.061 26.791 1.00 22.10 H ATOM 1146 N VAL A 92 9.518 -8.050 25.462 1.00 13.64 N ATOM 1147 CA VAL A 92 10.301 -8.291 24.250 1.00 12.90 C ATOM 1148 C VAL A 92 9.404 -8.159 23.005 1.00 16.52 C ATOM 1149 O VAL A 92 8.203 -7.901 23.110 1.00 15.47 O ATOM 1150 CB VAL A 92 11.132 -9.603 24.349 1.00 16.29 C ATOM 1151 CG1 VAL A 92 12.143 -9.577 25.508 1.00 18.13 C ATOM 1152 CG2 VAL A 92 10.275 -10.877 24.411 1.00 17.83 C ATOM 1153 H VAL A 92 8.619 -8.512 25.510 1.00 16.37 H ATOM 1154 HA VAL A 92 11.017 -7.474 24.144 1.00 15.48 H ATOM 1155 HB VAL A 92 11.728 -9.677 23.438 1.00 19.55 H ATOM 1156 HG11 VAL A 92 12.802 -10.444 25.472 1.00 21.76 H ATOM 1157 HG12 VAL A 92 12.771 -8.687 25.464 1.00 21.76 H ATOM 1158 HG13 VAL A 92 11.645 -9.586 26.478 1.00 21.76 H ATOM 1159 HG21 VAL A 92 10.902 -11.765 24.484 1.00 21.40 H ATOM 1160 HG22 VAL A 92 9.613 -10.870 25.277 1.00 21.40 H ATOM 1161 HG23 VAL A 92 9.667 -10.992 23.515 1.00 21.40 H ATOM 1162 N ASN A 93 10.021 -8.288 21.822 1.00 13.21 N ATOM 1163 CA ASN A 93 9.444 -7.980 20.517 1.00 13.69 C ATOM 1164 C ASN A 93 9.913 -9.041 19.512 1.00 13.08 C ATOM 1165 O ASN A 93 10.854 -8.816 18.750 1.00 13.49 O ATOM 1166 CB ASN A 93 9.806 -6.513 20.179 1.00 11.38 C ATOM 1167 CG ASN A 93 9.218 -5.981 18.871 1.00 13.32 C ATOM 1168 OD1 ASN A 93 8.339 -6.592 18.271 1.00 11.66 O ATOM 1169 ND2 ASN A 93 9.734 -4.843 18.404 1.00 13.35 N ATOM 1170 H ASN A 93 11.002 -8.524 21.829 1.00 15.85 H ATOM 1171 HA ASN A 93 8.356 -8.058 20.575 1.00 16.43 H ATOM 1172 HB2 ASN A 93 9.451 -5.863 20.980 1.00 13.66 H ATOM 1173 HB3 ASN A 93 10.891 -6.397 20.148 1.00 13.66 H ATOM 1174 HD21 ASN A 93 9.366 -4.448 17.550 1.00 16.02 H ATOM 1175 HD22 ASN A 93 10.472 -4.374 18.908 1.00 16.02 H ATOM 1176 N ALA A 94 9.247 -10.206 19.529 1.00 13.40 N ATOM 1177 CA ALA A 94 9.570 -11.384 18.728 1.00 12.41 C ATOM 1178 C ALA A 94 9.128 -11.270 17.258 1.00 14.61 C ATOM 1179 O ALA A 94 9.733 -11.926 16.410 1.00 14.88 O ATOM 1180 CB ALA A 94 8.855 -12.589 19.357 1.00 14.56 C ATOM 1181 H ALA A 94 8.507 -10.312 20.212 1.00 16.08 H ATOM 1182 HA ALA A 94 10.647 -11.554 18.756 1.00 14.90 H ATOM 1183 HB1 ALA A 94 9.009 -13.501 18.781 1.00 17.47 H ATOM 1184 HB2 ALA A 94 9.225 -12.776 20.365 1.00 17.47 H ATOM 1185 HB3 ALA A 94 7.782 -12.422 19.429 1.00 17.47 H ATOM 1186 N CYS A 95 8.119 -10.435 16.942 1.00 11.48 N ATOM 1187 CA CYS A 95 7.690 -10.150 15.566 1.00 11.35 C ATOM 1188 C CYS A 95 8.467 -8.976 14.952 1.00 10.77 C ATOM 1189 O CYS A 95 8.323 -8.746 13.753 1.00 12.23 O ATOM 1190 CB CYS A 95 6.203 -9.749 15.549 1.00 11.14 C ATOM 1191 SG CYS A 95 5.069 -10.990 16.217 1.00 10.97 S ATOM 1192 H CYS A 95 7.654 -9.932 17.685 1.00 13.77 H ATOM 1193 HA CYS A 95 7.830 -11.023 14.927 1.00 13.62 H ATOM 1194 HB2 CYS A 95 6.043 -8.804 16.065 1.00 13.37 H ATOM 1195 HB3 CYS A 95 5.889 -9.575 14.519 1.00 13.37 H ATOM 1196 N HIS A 96 9.250 -8.232 15.759 1.00 12.43 N ATOM 1197 CA HIS A 96 10.117 -7.098 15.407 1.00 12.76 C ATOM 1198 C HIS A 96 9.343 -5.902 14.809 1.00 11.82 C ATOM 1199 O HIS A 96 9.839 -5.211 13.919 1.00 13.01 O ATOM 1200 CB HIS A 96 11.402 -7.524 14.646 1.00 16.04 C ATOM 1201 CG HIS A 96 11.259 -8.306 13.363 1.00 16.64 C ATOM 1202 ND1 HIS A 96 10.788 -7.753 12.186 1.00 16.32 N ATOM 1203 CD2 HIS A 96 11.510 -9.631 13.076 1.00 16.64 C ATOM 1204 CE1 HIS A 96 10.758 -8.731 11.276 1.00 17.18 C ATOM 1205 NE2 HIS A 96 11.187 -9.897 11.744 1.00 18.09 N ATOM 1206 H HIS A 96 9.273 -8.503 16.732 1.00 14.91 H ATOM 1207 HA HIS A 96 10.474 -6.721 16.364 1.00 15.32 H ATOM 1208 HB2 HIS A 96 12.020 -6.650 14.438 1.00 19.25 H ATOM 1209 HB3 HIS A 96 11.999 -8.140 15.320 1.00 19.25 H ATOM 1210 HD2 HIS A 96 11.881 -10.410 13.726 1.00 19.97 H ATOM 1211 HE1 HIS A 96 10.418 -8.588 10.261 1.00 20.62 H ATOM 1212 HD1 HIS A 96 10.488 -6.797 12.054 1.00 0.00 H ATOM 1213 N LEU A 97 8.116 -5.681 15.311 1.00 11.70 N ATOM 1214 CA LEU A 97 7.189 -4.616 14.937 1.00 10.81 C ATOM 1215 C LEU A 97 6.895 -3.712 16.142 1.00 10.76 C ATOM 1216 O LEU A 97 6.923 -4.153 17.292 1.00 10.31 O ATOM 1217 CB LEU A 97 5.847 -5.245 14.498 1.00 13.73 C ATOM 1218 CG LEU A 97 5.882 -6.064 13.193 1.00 14.82 C ATOM 1219 CD1 LEU A 97 4.589 -6.877 13.059 1.00 14.61 C ATOM 1220 CD2 LEU A 97 6.095 -5.184 11.952 1.00 14.89 C ATOM 1221 H LEU A 97 7.811 -6.292 16.057 1.00 14.04 H ATOM 1222 HA LEU A 97 7.600 -4.000 14.136 1.00 12.98 H ATOM 1223 HB2 LEU A 97 5.484 -5.883 15.307 1.00 16.48 H ATOM 1224 HB3 LEU A 97 5.090 -4.468 14.382 1.00 16.48 H ATOM 1225 HG LEU A 97 6.704 -6.774 13.247 1.00 17.78 H ATOM 1226 HD11 LEU A 97 4.618 -7.524 12.182 1.00 17.54 H ATOM 1227 HD12 LEU A 97 4.445 -7.508 13.935 1.00 17.54 H ATOM 1228 HD13 LEU A 97 3.716 -6.230 12.974 1.00 17.54 H ATOM 1229 HD21 LEU A 97 6.085 -5.785 11.041 1.00 17.87 H ATOM 1230 HD22 LEU A 97 5.310 -4.432 11.857 1.00 17.87 H ATOM 1231 HD23 LEU A 97 7.053 -4.667 11.986 1.00 17.87 H ATOM 1232 N SER A 98 6.488 -2.467 15.855 1.00 9.75 N ATOM 1233 CA SER A 98 5.729 -1.631 16.782 1.00 8.88 C ATOM 1234 C SER A 98 4.290 -2.177 16.850 1.00 9.73 C ATOM 1235 O SER A 98 3.757 -2.636 15.838 1.00 9.81 O ATOM 1236 CB SER A 98 5.715 -0.185 16.240 1.00 9.22 C ATOM 1237 OG SER A 98 4.980 0.690 17.077 1.00 10.73 O ATOM 1238 H SER A 98 6.489 -2.183 14.886 1.00 11.70 H ATOM 1239 HA SER A 98 6.197 -1.655 17.766 1.00 10.66 H ATOM 1240 HB2 SER A 98 6.734 0.196 16.154 1.00 11.06 H ATOM 1241 HB3 SER A 98 5.279 -0.150 15.240 1.00 11.06 H ATOM 1242 HG SER A 98 5.424 0.756 17.910 1.00 12.88 H ATOM 1243 N CYS A 99 3.647 -2.108 18.026 1.00 9.95 N ATOM 1244 CA CYS A 99 2.262 -2.549 18.229 1.00 9.99 C ATOM 1245 C CYS A 99 1.218 -1.711 17.455 1.00 10.66 C ATOM 1246 O CYS A 99 0.080 -2.151 17.304 1.00 9.93 O ATOM 1247 CB CYS A 99 1.922 -2.504 19.724 1.00 11.41 C ATOM 1248 SG CYS A 99 2.819 -3.622 20.836 1.00 10.48 S ATOM 1249 H CYS A 99 4.144 -1.743 18.829 1.00 11.94 H ATOM 1250 HA CYS A 99 2.172 -3.577 17.877 1.00 11.99 H ATOM 1251 HB2 CYS A 99 2.051 -1.490 20.105 1.00 13.69 H ATOM 1252 HB3 CYS A 99 0.871 -2.737 19.844 1.00 13.69 H ATOM 1253 N SER A 100 1.617 -0.539 16.926 1.00 10.50 N ATOM 1254 CA SER A 100 0.834 0.323 16.041 1.00 10.17 C ATOM 1255 C SER A 100 0.696 -0.264 14.617 1.00 10.06 C ATOM 1256 O SER A 100 -0.243 0.097 13.908 1.00 9.66 O ATOM 1257 CB SER A 100 1.550 1.690 15.977 1.00 12.00 C ATOM 1258 OG SER A 100 0.818 2.647 15.235 0.81 10.66 O ATOM 1259 H SER A 100 2.571 -0.255 17.101 1.00 12.61 H ATOM 1260 HA SER A 100 -0.163 0.452 16.465 1.00 12.21 H ATOM 1261 HB2 SER A 100 1.694 2.086 16.983 1.00 14.40 H ATOM 1262 HB3 SER A 100 2.542 1.588 15.534 1.00 14.40 H ATOM 1263 HG SER A 100 0.693 2.320 14.356 0.53 12.79 H ATOM 1264 N ALA A 101 1.589 -1.188 14.212 1.00 9.31 N ATOM 1265 CA ALA A 101 1.538 -1.900 12.932 1.00 8.37 C ATOM 1266 C ALA A 101 0.454 -2.996 12.915 1.00 9.03 C ATOM 1267 O ALA A 101 0.029 -3.414 11.839 1.00 9.60 O ATOM 1268 CB ALA A 101 2.897 -2.573 12.681 1.00 9.66 C ATOM 1269 H ALA A 101 2.328 -1.451 14.851 1.00 11.18 H ATOM 1270 HA ALA A 101 1.340 -1.182 12.136 1.00 10.05 H ATOM 1271 HB1 ALA A 101 2.937 -3.020 11.687 1.00 11.59 H ATOM 1272 HB2 ALA A 101 3.713 -1.851 12.744 1.00 11.59 H ATOM 1273 HB3 ALA A 101 3.098 -3.366 13.402 1.00 11.59 H ATOM 1274 N LEU A 102 -0.015 -3.427 14.097 1.00 9.36 N ATOM 1275 CA LEU A 102 -1.107 -4.381 14.278 1.00 8.52 C ATOM 1276 C LEU A 102 -2.482 -3.677 14.263 1.00 9.70 C ATOM 1277 O LEU A 102 -3.499 -4.361 14.161 1.00 10.03 O ATOM 1278 CB LEU A 102 -0.937 -5.067 15.654 1.00 9.25 C ATOM 1279 CG LEU A 102 0.435 -5.742 15.900 1.00 10.45 C ATOM 1280 CD1 LEU A 102 0.523 -6.255 17.340 1.00 12.10 C ATOM 1281 CD2 LEU A 102 0.722 -6.882 14.913 1.00 13.25 C ATOM 1282 H LEU A 102 0.385 -3.031 14.936 1.00 11.23 H ATOM 1283 HA LEU A 102 -1.091 -5.130 13.484 1.00 10.22 H ATOM 1284 HB2 LEU A 102 -1.102 -4.330 16.439 1.00 11.10 H ATOM 1285 HB3 LEU A 102 -1.723 -5.813 15.786 1.00 11.10 H ATOM 1286 HG LEU A 102 1.224 -4.999 15.784 1.00 12.54 H ATOM 1287 HD11 LEU A 102 1.455 -6.791 17.516 1.00 14.53 H ATOM 1288 HD12 LEU A 102 0.482 -5.424 18.043 1.00 14.53 H ATOM 1289 HD13 LEU A 102 -0.299 -6.930 17.574 1.00 14.53 H ATOM 1290 HD21 LEU A 102 1.690 -7.342 15.115 1.00 15.91 H ATOM 1291 HD22 LEU A 102 -0.036 -7.662 14.988 1.00 15.91 H ATOM 1292 HD23 LEU A 102 0.749 -6.523 13.884 1.00 15.91 H ATOM 1293 N LEU A 103 -2.516 -2.332 14.342 1.00 7.98 N ATOM 1294 CA LEU A 103 -3.728 -1.506 14.362 1.00 9.82 C ATOM 1295 C LEU A 103 -4.083 -0.907 12.987 1.00 8.80 C ATOM 1296 O LEU A 103 -5.005 -0.095 12.897 1.00 8.91 O ATOM 1297 CB LEU A 103 -3.553 -0.366 15.393 1.00 9.08 C ATOM 1298 CG LEU A 103 -3.353 -0.829 16.853 1.00 9.07 C ATOM 1299 CD1 LEU A 103 -3.197 0.395 17.770 1.00 8.77 C ATOM 1300 CD2 LEU A 103 -4.495 -1.738 17.342 1.00 10.05 C ATOM 1301 H LEU A 103 -1.635 -1.842 14.403 1.00 9.58 H ATOM 1302 HA LEU A 103 -4.582 -2.111 14.644 1.00 11.79 H ATOM 1303 HB2 LEU A 103 -2.711 0.262 15.099 1.00 10.90 H ATOM 1304 HB3 LEU A 103 -4.429 0.283 15.371 1.00 10.90 H ATOM 1305 HG LEU A 103 -2.428 -1.402 16.911 1.00 10.88 H ATOM 1306 HD11 LEU A 103 -3.011 0.107 18.803 1.00 10.52 H ATOM 1307 HD12 LEU A 103 -2.363 1.021 17.453 1.00 10.52 H ATOM 1308 HD13 LEU A 103 -4.096 1.012 17.760 1.00 10.52 H ATOM 1309 HD21 LEU A 103 -4.353 -2.041 18.375 1.00 12.06 H ATOM 1310 HD22 LEU A 103 -5.457 -1.232 17.278 1.00 12.06 H ATOM 1311 HD23 LEU A 103 -4.559 -2.660 16.768 1.00 12.06 H ATOM 1312 N GLN A 104 -3.398 -1.332 11.913 1.00 8.46 N ATOM 1313 CA GLN A 104 -3.664 -0.936 10.530 1.00 10.12 C ATOM 1314 C GLN A 104 -4.859 -1.723 9.963 1.00 8.88 C ATOM 1315 O GLN A 104 -5.080 -2.878 10.332 1.00 9.94 O ATOM 1316 CB GLN A 104 -2.439 -1.308 9.672 1.00 8.54 C ATOM 1317 CG GLN A 104 -1.160 -0.532 10.019 1.00 11.27 C ATOM 1318 CD GLN A 104 -0.036 -0.892 9.048 1.00 11.19 C ATOM 1319 OE1 GLN A 104 0.023 -0.369 7.938 1.00 12.06 O ATOM 1320 NE2 GLN A 104 0.857 -1.789 9.467 1.00 11.25 N ATOM 1321 H GLN A 104 -2.671 -2.017 12.060 1.00 10.15 H ATOM 1322 HA GLN A 104 -3.858 0.137 10.471 1.00 12.14 H ATOM 1323 HB2 GLN A 104 -2.235 -2.375 9.776 1.00 10.25 H ATOM 1324 HB3 GLN A 104 -2.672 -1.145 8.617 1.00 10.25 H ATOM 1325 HG2 GLN A 104 -1.344 0.541 9.955 1.00 13.52 H ATOM 1326 HG3 GLN A 104 -0.849 -0.733 11.045 1.00 13.52 H ATOM 1327 HE21 GLN A 104 0.736 -2.234 10.366 1.00 13.50 H ATOM 1328 HE22 GLN A 104 1.618 -2.086 8.867 1.00 13.50 H ATOM 1329 N ASP A 105 -5.593 -1.110 9.018 1.00 10.21 N ATOM 1330 CA ASP A 105 -6.672 -1.747 8.249 1.00 10.20 C ATOM 1331 C ASP A 105 -6.146 -2.817 7.275 1.00 9.69 C ATOM 1332 O ASP A 105 -6.851 -3.790 7.005 1.00 9.99 O ATOM 1333 CB ASP A 105 -7.462 -0.689 7.438 1.00 9.02 C ATOM 1334 CG ASP A 105 -8.255 0.330 8.265 1.00 11.89 C ATOM 1335 OD1 ASP A 105 -8.237 0.239 9.512 1.00 10.87 O ATOM 1336 OD2 ASP A 105 -8.916 1.172 7.621 1.00 11.92 O1- ATOM 1337 H ASP A 105 -5.369 -0.153 8.786 1.00 12.25 H ATOM 1338 HA ASP A 105 -7.344 -2.246 8.947 1.00 12.24 H ATOM 1339 HB2 ASP A 105 -6.781 -0.137 6.788 1.00 10.83 H ATOM 1340 HB3 ASP A 105 -8.173 -1.184 6.777 1.00 10.83 H ATOM 1341 N ASN A 106 -4.897 -2.661 6.802 1.00 9.57 N ATOM 1342 CA ASN A 106 -4.135 -3.671 6.076 1.00 10.31 C ATOM 1343 C ASN A 106 -3.478 -4.564 7.143 1.00 10.00 C ATOM 1344 O ASN A 106 -2.625 -4.109 7.906 1.00 9.83 O ATOM 1345 CB ASN A 106 -3.050 -2.945 5.245 1.00 12.45 C ATOM 1346 CG ASN A 106 -2.368 -3.868 4.229 1.00 12.78 C ATOM 1347 OD1 ASN A 106 -1.597 -4.746 4.606 1.00 13.71 O ATOM 1348 ND2 ASN A 106 -2.658 -3.687 2.940 1.00 17.56 N ATOM 1349 H ASN A 106 -4.392 -1.835 7.088 1.00 11.48 H ATOM 1350 HA ASN A 106 -4.794 -4.249 5.424 1.00 12.37 H ATOM 1351 HB2 ASN A 106 -3.506 -2.114 4.703 1.00 14.94 H ATOM 1352 HB3 ASN A 106 -2.287 -2.493 5.882 1.00 14.94 H ATOM 1353 HD21 ASN A 106 -3.294 -2.954 2.660 1.00 21.08 H ATOM 1354 HD22 ASN A 106 -2.225 -4.279 2.246 1.00 21.08 H ATOM 1355 N ILE A 107 -3.901 -5.834 7.196 1.00 8.62 N ATOM 1356 CA ILE A 107 -3.520 -6.792 8.234 1.00 9.62 C ATOM 1357 C ILE A 107 -2.288 -7.634 7.842 1.00 8.55 C ATOM 1358 O ILE A 107 -2.068 -8.672 8.456 1.00 10.02 O ATOM 1359 CB ILE A 107 -4.747 -7.697 8.566 1.00 10.36 C ATOM 1360 CG1 ILE A 107 -5.246 -8.568 7.384 1.00 9.43 C ATOM 1361 CG2 ILE A 107 -5.885 -6.854 9.173 1.00 10.57 C ATOM 1362 CD1 ILE A 107 -6.237 -9.660 7.810 1.00 12.80 C ATOM 1363 H ILE A 107 -4.598 -6.134 6.531 1.00 10.35 H ATOM 1364 HA ILE A 107 -3.246 -6.256 9.145 1.00 11.54 H ATOM 1365 HB ILE A 107 -4.438 -8.382 9.357 1.00 12.44 H ATOM 1366 HG12 ILE A 107 -5.702 -7.940 6.618 1.00 11.31 H ATOM 1367 HG13 ILE A 107 -4.405 -9.066 6.904 1.00 11.31 H ATOM 1368 HG21 ILE A 107 -6.690 -7.477 9.561 1.00 12.68 H ATOM 1369 HG22 ILE A 107 -5.524 -6.247 10.004 1.00 12.68 H ATOM 1370 HG23 ILE A 107 -6.317 -6.177 8.436 1.00 12.68 H ATOM 1371 HD11 ILE A 107 -6.481 -10.319 6.978 1.00 15.36 H ATOM 1372 HD12 ILE A 107 -5.823 -10.279 8.607 1.00 15.36 H ATOM 1373 HD13 ILE A 107 -7.170 -9.229 8.168 1.00 15.36 H ATOM 1374 N ALA A 108 -1.470 -7.213 6.860 1.00 9.51 N ATOM 1375 CA ALA A 108 -0.279 -7.939 6.399 1.00 9.45 C ATOM 1376 C ALA A 108 0.806 -8.105 7.479 1.00 8.41 C ATOM 1377 O ALA A 108 1.400 -9.179 7.570 1.00 8.70 O ATOM 1378 CB ALA A 108 0.314 -7.226 5.175 1.00 10.19 C ATOM 1379 H ALA A 108 -1.688 -6.342 6.394 1.00 11.41 H ATOM 1380 HA ALA A 108 -0.595 -8.936 6.090 1.00 11.35 H ATOM 1381 HB1 ALA A 108 1.194 -7.751 4.800 1.00 12.24 H ATOM 1382 HB2 ALA A 108 -0.409 -7.186 4.360 1.00 12.24 H ATOM 1383 HB3 ALA A 108 0.613 -6.204 5.410 1.00 12.24 H ATOM 1384 N ASP A 109 1.023 -7.079 8.323 1.00 9.78 N ATOM 1385 CA ASP A 109 1.956 -7.112 9.457 1.00 10.20 C ATOM 1386 C ASP A 109 1.353 -7.821 10.684 1.00 8.65 C ATOM 1387 O ASP A 109 2.103 -8.402 11.468 1.00 9.23 O ATOM 1388 CB ASP A 109 2.338 -5.669 9.872 1.00 9.57 C ATOM 1389 CG ASP A 109 3.097 -4.876 8.800 1.00 15.18 C ATOM 1390 OD1 ASP A 109 3.774 -5.514 7.965 1.00 16.63 O ATOM 1391 OD2 ASP A 109 3.008 -3.630 8.853 1.00 15.92 O1- ATOM 1392 H ASP A 109 0.506 -6.224 8.175 1.00 11.73 H ATOM 1393 HA ASP A 109 2.859 -7.652 9.168 1.00 12.24 H ATOM 1394 HB2 ASP A 109 1.442 -5.110 10.146 1.00 11.48 H ATOM 1395 HB3 ASP A 109 2.971 -5.687 10.759 1.00 11.48 H ATOM 1396 N ALA A 110 0.016 -7.827 10.829 1.00 9.24 N ATOM 1397 CA ALA A 110 -0.700 -8.563 11.873 1.00 9.17 C ATOM 1398 C ALA A 110 -0.742 -10.071 11.579 1.00 9.17 C ATOM 1399 O ALA A 110 -0.675 -10.870 12.510 1.00 9.72 O ATOM 1400 CB ALA A 110 -2.139 -8.029 11.967 1.00 10.40 C ATOM 1401 H ALA A 110 -0.539 -7.341 10.140 1.00 11.08 H ATOM 1402 HA ALA A 110 -0.200 -8.417 12.828 1.00 11.00 H ATOM 1403 HB1 ALA A 110 -2.693 -8.526 12.764 1.00 12.49 H ATOM 1404 HB2 ALA A 110 -2.146 -6.961 12.186 1.00 12.49 H ATOM 1405 HB3 ALA A 110 -2.691 -8.178 11.039 1.00 12.49 H ATOM 1406 N VAL A 111 -0.799 -10.451 10.292 1.00 8.70 N ATOM 1407 CA VAL A 111 -0.717 -11.819 9.787 1.00 8.89 C ATOM 1408 C VAL A 111 0.732 -12.334 9.831 1.00 9.74 C ATOM 1409 O VAL A 111 0.929 -13.498 10.168 1.00 9.50 O ATOM 1410 CB VAL A 111 -1.305 -11.855 8.347 1.00 8.70 C ATOM 1411 CG1 VAL A 111 -0.885 -13.079 7.513 1.00 11.78 C ATOM 1412 CG2 VAL A 111 -2.841 -11.778 8.402 1.00 10.83 C ATOM 1413 H VAL A 111 -0.892 -9.721 9.597 1.00 10.44 H ATOM 1414 HA VAL A 111 -1.316 -12.469 10.426 1.00 10.67 H ATOM 1415 HB VAL A 111 -0.949 -10.980 7.801 1.00 10.44 H ATOM 1416 HG11 VAL A 111 -1.547 -13.228 6.663 1.00 14.14 H ATOM 1417 HG12 VAL A 111 0.130 -12.977 7.128 1.00 14.14 H ATOM 1418 HG13 VAL A 111 -0.920 -13.985 8.110 1.00 14.14 H ATOM 1419 HG21 VAL A 111 -3.270 -11.690 7.405 1.00 13.00 H ATOM 1420 HG22 VAL A 111 -3.262 -12.670 8.862 1.00 13.00 H ATOM 1421 HG23 VAL A 111 -3.192 -10.924 8.982 1.00 13.00 H ATOM 1422 N ALA A 112 1.739 -11.488 9.550 1.00 9.00 N ATOM 1423 CA ALA A 112 3.160 -11.841 9.635 1.00 10.85 C ATOM 1424 C ALA A 112 3.617 -12.085 11.085 1.00 9.56 C ATOM 1425 O ALA A 112 4.494 -12.918 11.316 1.00 9.49 O ATOM 1426 CB ALA A 112 3.995 -10.702 9.032 1.00 10.85 C ATOM 1427 H ALA A 112 1.512 -10.548 9.256 1.00 10.81 H ATOM 1428 HA ALA A 112 3.331 -12.751 9.057 1.00 13.02 H ATOM 1429 HB1 ALA A 112 5.060 -10.936 9.057 1.00 13.03 H ATOM 1430 HB2 ALA A 112 3.728 -10.529 7.989 1.00 13.03 H ATOM 1431 HB3 ALA A 112 3.850 -9.767 9.573 1.00 13.03 H ATOM 1432 N CYS A 113 2.988 -11.397 12.053 1.00 9.07 N ATOM 1433 CA CYS A 113 3.218 -11.571 13.482 1.00 9.79 C ATOM 1434 C CYS A 113 2.367 -12.714 14.060 1.00 9.18 C ATOM 1435 O CYS A 113 2.820 -13.374 14.990 1.00 9.46 O ATOM 1436 CB CYS A 113 2.869 -10.250 14.189 1.00 9.93 C ATOM 1437 SG CYS A 113 3.231 -10.142 15.967 1.00 10.00 S ATOM 1438 H CYS A 113 2.293 -10.717 11.775 1.00 10.88 H ATOM 1439 HA CYS A 113 4.274 -11.794 13.639 1.00 11.75 H ATOM 1440 HB2 CYS A 113 3.429 -9.452 13.707 1.00 11.92 H ATOM 1441 HB3 CYS A 113 1.816 -10.003 14.045 1.00 11.92 H ATOM 1442 N ALA A 114 1.187 -13.011 13.489 1.00 9.17 N ATOM 1443 CA ALA A 114 0.379 -14.179 13.852 1.00 8.24 C ATOM 1444 C ALA A 114 1.007 -15.486 13.335 1.00 8.32 C ATOM 1445 O ALA A 114 0.865 -16.520 13.983 1.00 9.53 O ATOM 1446 CB ALA A 114 -1.024 -14.029 13.253 1.00 9.48 C ATOM 1447 H ALA A 114 0.845 -12.424 12.741 1.00 11.00 H ATOM 1448 HA ALA A 114 0.296 -14.230 14.939 1.00 9.89 H ATOM 1449 HB1 ALA A 114 -1.658 -14.878 13.505 1.00 11.38 H ATOM 1450 HB2 ALA A 114 -1.515 -13.139 13.644 1.00 11.38 H ATOM 1451 HB3 ALA A 114 -0.993 -13.946 12.168 1.00 11.38 H ATOM 1452 N LYS A 115 1.758 -15.427 12.221 1.00 8.30 N ATOM 1453 CA LYS A 115 2.594 -16.512 11.712 1.00 10.02 C ATOM 1454 C LYS A 115 3.820 -16.746 12.613 1.00 10.24 C ATOM 1455 O LYS A 115 4.189 -17.898 12.821 1.00 11.29 O ATOM 1456 CB LYS A 115 3.070 -16.177 10.285 1.00 10.22 C ATOM 1457 CG LYS A 115 1.998 -16.434 9.215 1.00 9.36 C ATOM 1458 CD LYS A 115 2.502 -16.111 7.804 1.00 11.87 C ATOM 1459 CE LYS A 115 1.443 -16.372 6.727 1.00 10.41 C ATOM 1460 NZ LYS A 115 1.995 -16.132 5.385 1.00 11.02 N1+ ATOM 1461 H LYS A 115 1.792 -14.549 11.721 1.00 9.96 H ATOM 1462 HA LYS A 115 2.007 -17.431 11.682 1.00 12.03 H ATOM 1463 HB2 LYS A 115 3.410 -15.143 10.232 1.00 12.27 H ATOM 1464 HB3 LYS A 115 3.937 -16.790 10.033 1.00 12.27 H ATOM 1465 HG2 LYS A 115 1.681 -17.474 9.254 1.00 11.24 H ATOM 1466 HG3 LYS A 115 1.105 -15.852 9.428 1.00 11.24 H ATOM 1467 HD2 LYS A 115 2.816 -15.067 7.762 1.00 14.25 H ATOM 1468 HD3 LYS A 115 3.389 -16.712 7.596 1.00 14.25 H ATOM 1469 HE2 LYS A 115 1.082 -17.399 6.780 1.00 12.50 H ATOM 1470 HE3 LYS A 115 0.581 -15.721 6.876 1.00 12.50 H ATOM 1471 HZ1 LYS A 115 1.254 -16.219 4.701 1.00 13.22 H ATOM 1472 HZ2 LYS A 115 2.370 -15.196 5.336 1.00 13.22 H ATOM 1473 HZ3 LYS A 115 2.724 -16.802 5.186 1.00 13.22 H ATOM 1474 N ARG A 116 4.416 -15.678 13.179 1.00 9.48 N ATOM 1475 CA ARG A 116 5.521 -15.747 14.142 1.00 9.67 C ATOM 1476 C ARG A 116 5.101 -16.398 15.471 1.00 9.63 C ATOM 1477 O ARG A 116 5.879 -17.177 16.020 1.00 10.22 O ATOM 1478 CB ARG A 116 6.096 -14.327 14.375 1.00 9.57 C ATOM 1479 CG ARG A 116 7.166 -14.190 15.481 1.00 11.48 C ATOM 1480 CD ARG A 116 8.474 -14.937 15.187 1.00 13.07 C ATOM 1481 NE ARG A 116 9.333 -15.000 16.378 1.00 13.10 N ATOM 1482 CZ ARG A 116 9.364 -16.002 17.277 1.00 14.69 C ATOM 1483 NH1 ARG A 116 8.535 -17.048 17.183 1.00 14.97 N ATOM 1484 NH2 ARG A 116 10.230 -15.960 18.296 1.00 15.90 N1+ ATOM 1485 H ARG A 116 4.051 -14.761 12.962 1.00 11.38 H ATOM 1486 HA ARG A 116 6.298 -16.373 13.702 1.00 11.61 H ATOM 1487 HB2 ARG A 116 6.497 -13.939 13.438 1.00 11.49 H ATOM 1488 HB3 ARG A 116 5.283 -13.655 14.637 1.00 11.49 H ATOM 1489 HG2 ARG A 116 7.392 -13.134 15.601 1.00 13.78 H ATOM 1490 HG3 ARG A 116 6.765 -14.495 16.447 1.00 13.78 H ATOM 1491 HD2 ARG A 116 8.287 -15.947 14.825 1.00 15.69 H ATOM 1492 HD3 ARG A 116 9.019 -14.421 14.396 1.00 15.69 H ATOM 1493 HE ARG A 116 9.930 -14.196 16.525 1.00 15.72 H ATOM 1494 HH11 ARG A 116 7.806 -17.070 16.481 1.00 17.96 H ATOM 1495 HH12 ARG A 116 8.583 -17.815 17.855 1.00 17.96 H ATOM 1496 HH21 ARG A 116 10.872 -15.188 18.399 1.00 19.09 H ATOM 1497 HH22 ARG A 116 10.231 -16.702 18.983 1.00 19.09 H ATOM 1498 N VAL A 117 3.880 -16.109 15.962 1.00 10.04 N ATOM 1499 CA VAL A 117 3.285 -16.683 17.177 1.00 9.69 C ATOM 1500 C VAL A 117 3.216 -18.220 17.132 1.00 9.91 C ATOM 1501 O VAL A 117 3.487 -18.871 18.141 1.00 10.36 O ATOM 1502 CB VAL A 117 1.896 -16.033 17.450 1.00 9.31 C ATOM 1503 CG1 VAL A 117 1.074 -16.744 18.543 1.00 10.50 C ATOM 1504 CG2 VAL A 117 2.005 -14.543 17.822 1.00 10.65 C ATOM 1505 H VAL A 117 3.317 -15.439 15.457 1.00 12.05 H ATOM 1506 HA VAL A 117 3.940 -16.431 18.003 1.00 11.63 H ATOM 1507 HB VAL A 117 1.321 -16.092 16.526 1.00 11.18 H ATOM 1508 HG11 VAL A 117 0.178 -16.179 18.798 1.00 12.60 H ATOM 1509 HG12 VAL A 117 0.744 -17.735 18.228 1.00 12.60 H ATOM 1510 HG13 VAL A 117 1.655 -16.857 19.459 1.00 12.60 H ATOM 1511 HG21 VAL A 117 1.105 -14.000 17.530 1.00 12.78 H ATOM 1512 HG22 VAL A 117 2.115 -14.418 18.896 1.00 12.78 H ATOM 1513 HG23 VAL A 117 2.859 -14.051 17.362 1.00 12.78 H ATOM 1514 N VAL A 118 2.874 -18.787 15.964 1.00 9.55 N ATOM 1515 CA VAL A 118 2.626 -20.217 15.790 1.00 9.79 C ATOM 1516 C VAL A 118 3.860 -20.989 15.277 1.00 12.11 C ATOM 1517 O VAL A 118 3.768 -22.207 15.116 1.00 14.05 O ATOM 1518 CB VAL A 118 1.385 -20.417 14.879 1.00 10.63 C ATOM 1519 CG1 VAL A 118 0.160 -19.674 15.445 1.00 10.53 C ATOM 1520 CG2 VAL A 118 1.596 -20.034 13.406 1.00 10.71 C ATOM 1521 H VAL A 118 2.685 -18.185 15.176 1.00 11.47 H ATOM 1522 HA VAL A 118 2.385 -20.646 16.763 1.00 11.75 H ATOM 1523 HB VAL A 118 1.145 -21.480 14.899 1.00 12.75 H ATOM 1524 HG11 VAL A 118 -0.763 -19.995 14.967 1.00 12.64 H ATOM 1525 HG12 VAL A 118 0.047 -19.835 16.512 1.00 12.64 H ATOM 1526 HG13 VAL A 118 0.246 -18.598 15.312 1.00 12.64 H ATOM 1527 HG21 VAL A 118 0.691 -20.205 12.825 1.00 12.85 H ATOM 1528 HG22 VAL A 118 1.846 -18.981 13.314 1.00 12.85 H ATOM 1529 HG23 VAL A 118 2.390 -20.615 12.941 1.00 12.85 H ATOM 1530 N ARG A 119 5.017 -20.323 15.083 1.00 12.54 N ATOM 1531 CA ARG A 119 6.320 -20.974 14.888 1.00 12.51 C ATOM 1532 C ARG A 119 6.924 -21.470 16.218 1.00 15.43 C ATOM 1533 O ARG A 119 7.789 -22.345 16.185 1.00 18.07 O ATOM 1534 CB ARG A 119 7.323 -20.012 14.205 1.00 11.66 C ATOM 1535 CG ARG A 119 7.051 -19.844 12.699 1.00 12.03 C ATOM 1536 CD ARG A 119 8.204 -19.219 11.899 1.00 12.02 C ATOM 1537 NE ARG A 119 8.389 -17.785 12.164 1.00 13.89 N ATOM 1538 CZ ARG A 119 7.792 -16.770 11.514 1.00 11.69 C ATOM 1539 NH1 ARG A 119 6.815 -16.980 10.620 1.00 14.71 N ATOM 1540 NH2 ARG A 119 8.182 -15.513 11.760 1.00 15.09 N1+ ATOM 1541 H ARG A 119 5.017 -19.322 15.225 1.00 15.05 H ATOM 1542 HA ARG A 119 6.201 -21.853 14.257 1.00 15.01 H ATOM 1543 HB2 ARG A 119 7.328 -19.041 14.700 1.00 14.00 H ATOM 1544 HB3 ARG A 119 8.334 -20.408 14.315 1.00 14.00 H ATOM 1545 HG2 ARG A 119 6.862 -20.826 12.269 1.00 14.44 H ATOM 1546 HG3 ARG A 119 6.139 -19.279 12.539 1.00 14.44 H ATOM 1547 HD2 ARG A 119 9.137 -19.737 12.123 1.00 14.43 H ATOM 1548 HD3 ARG A 119 8.034 -19.360 10.831 1.00 14.43 H ATOM 1549 HE ARG A 119 9.078 -17.564 12.868 1.00 16.67 H ATOM 1550 HH11 ARG A 119 6.479 -17.918 10.444 1.00 17.66 H ATOM 1551 HH12 ARG A 119 6.384 -16.204 10.140 1.00 17.66 H ATOM 1552 HH21 ARG A 119 8.943 -15.329 12.397 1.00 18.11 H ATOM 1553 HH22 ARG A 119 7.743 -14.738 11.282 1.00 18.11 H ATOM 1554 N ASP A 120 6.445 -20.969 17.372 1.00 12.51 N ATOM 1555 CA ASP A 120 6.784 -21.467 18.711 1.00 11.52 C ATOM 1556 C ASP A 120 5.900 -22.686 19.078 1.00 12.97 C ATOM 1557 O ASP A 120 4.814 -22.824 18.509 1.00 14.38 O ATOM 1558 CB ASP A 120 6.577 -20.332 19.749 1.00 12.81 C ATOM 1559 CG ASP A 120 7.641 -19.225 19.702 1.00 13.64 C ATOM 1560 OD1 ASP A 120 8.526 -19.274 18.818 1.00 19.70 O ATOM 1561 OD2 ASP A 120 7.570 -18.337 20.576 1.00 20.12 O1- ATOM 1562 H ASP A 120 5.731 -20.256 17.321 1.00 15.01 H ATOM 1563 HA ASP A 120 7.832 -21.764 18.698 1.00 13.83 H ATOM 1564 HB2 ASP A 120 5.596 -19.873 19.614 1.00 15.37 H ATOM 1565 HB3 ASP A 120 6.578 -20.727 20.764 1.00 15.37 H ATOM 1566 N PRO A 121 6.365 -23.588 19.984 1.00 13.74 N ATOM 1567 CA PRO A 121 5.764 -24.902 20.312 1.00 13.99 C ATOM 1568 C PRO A 121 4.243 -25.030 20.518 1.00 11.78 C ATOM 1569 O PRO A 121 3.694 -26.082 20.188 1.00 13.07 O ATOM 1570 CB PRO A 121 6.490 -25.373 21.577 1.00 15.60 C ATOM 1571 CG PRO A 121 7.865 -24.752 21.469 1.00 17.76 C ATOM 1572 CD PRO A 121 7.630 -23.441 20.721 1.00 14.86 C ATOM 1573 HA PRO A 121 6.038 -25.565 19.489 1.00 16.79 H ATOM 1574 HB2 PRO A 121 5.997 -24.992 22.474 1.00 18.73 H ATOM 1575 HB3 PRO A 121 6.531 -26.460 21.658 1.00 18.73 H ATOM 1576 HG2 PRO A 121 8.346 -24.607 22.437 1.00 21.31 H ATOM 1577 HG3 PRO A 121 8.506 -25.401 20.872 1.00 21.31 H ATOM 1578 HD2 PRO A 121 7.546 -22.624 21.437 1.00 17.83 H ATOM 1579 HD3 PRO A 121 8.484 -23.243 20.074 1.00 17.83 H ATOM 1580 N GLN A 122 3.563 -24.002 21.056 1.00 11.85 N ATOM 1581 CA GLN A 122 2.120 -24.025 21.330 1.00 11.58 C ATOM 1582 C GLN A 122 1.262 -24.013 20.055 1.00 12.78 C ATOM 1583 O GLN A 122 0.174 -24.591 20.051 1.00 11.76 O ATOM 1584 CB GLN A 122 1.737 -22.791 22.176 1.00 17.30 C ATOM 1585 CG GLN A 122 2.034 -22.969 23.674 1.00 20.46 C ATOM 1586 CD GLN A 122 1.563 -21.764 24.491 1.00 19.77 C ATOM 1587 OE1 GLN A 122 1.940 -20.630 24.205 1.00 28.97 O ATOM 1588 NE2 GLN A 122 0.737 -22.000 25.512 1.00 28.39 N ATOM 1589 H GLN A 122 4.070 -23.164 21.302 1.00 14.22 H ATOM 1590 HA GLN A 122 1.876 -24.934 21.882 1.00 13.90 H ATOM 1591 HB2 GLN A 122 2.237 -21.901 21.789 1.00 20.76 H ATOM 1592 HB3 GLN A 122 0.667 -22.592 22.078 1.00 20.76 H ATOM 1593 HG2 GLN A 122 1.551 -23.875 24.044 1.00 24.56 H ATOM 1594 HG3 GLN A 122 3.105 -23.098 23.832 1.00 24.56 H ATOM 1595 HE21 GLN A 122 0.447 -22.943 25.723 1.00 34.06 H ATOM 1596 HE22 GLN A 122 0.407 -21.226 26.070 1.00 34.06 H ATOM 1597 N GLY A 123 1.731 -23.349 18.987 1.00 11.44 N ATOM 1598 CA GLY A 123 0.951 -23.102 17.783 1.00 11.54 C ATOM 1599 C GLY A 123 -0.161 -22.083 18.056 1.00 12.67 C ATOM 1600 O GLY A 123 0.054 -21.083 18.743 1.00 12.65 O ATOM 1601 H GLY A 123 2.648 -22.926 19.044 1.00 13.73 H ATOM 1602 HA2 GLY A 123 1.611 -22.731 17.002 1.00 13.85 H ATOM 1603 HA3 GLY A 123 0.532 -24.040 17.414 1.00 13.85 H ATOM 1604 N ILE A 124 -1.356 -22.361 17.517 1.00 14.00 N ATOM 1605 CA ILE A 124 -2.594 -21.585 17.652 1.00 13.78 C ATOM 1606 C ILE A 124 -3.164 -21.553 19.098 1.00 12.99 C ATOM 1607 O ILE A 124 -4.029 -20.729 19.394 1.00 13.89 O ATOM 1608 CB ILE A 124 -3.597 -22.171 16.614 1.00 16.41 C ATOM 1609 CG1 ILE A 124 -4.841 -21.300 16.343 1.00 24.60 C ATOM 1610 CG2 ILE A 124 -4.010 -23.624 16.926 1.00 16.71 C ATOM 1611 CD1 ILE A 124 -4.539 -19.942 15.703 1.00 22.60 C ATOM 1612 H ILE A 124 -1.425 -23.205 16.967 1.00 16.81 H ATOM 1613 HA ILE A 124 -2.352 -20.558 17.377 1.00 16.54 H ATOM 1614 HB ILE A 124 -3.071 -22.214 15.663 1.00 19.69 H ATOM 1615 HG12 ILE A 124 -5.507 -21.839 15.669 1.00 29.52 H ATOM 1616 HG13 ILE A 124 -5.404 -21.147 17.259 1.00 29.52 H ATOM 1617 HG21 ILE A 124 -4.659 -24.022 16.146 1.00 20.05 H ATOM 1618 HG22 ILE A 124 -3.148 -24.287 16.992 1.00 20.05 H ATOM 1619 HG23 ILE A 124 -4.549 -23.690 17.868 1.00 20.05 H ATOM 1620 HD11 ILE A 124 -5.462 -19.451 15.395 1.00 27.12 H ATOM 1621 HD12 ILE A 124 -4.034 -19.283 16.405 1.00 27.12 H ATOM 1622 HD13 ILE A 124 -3.906 -20.043 14.822 1.00 27.12 H ATOM 1623 N ARG A 125 -2.652 -22.403 20.009 1.00 11.84 N ATOM 1624 CA ARG A 125 -2.996 -22.454 21.437 1.00 11.69 C ATOM 1625 C ARG A 125 -2.289 -21.364 22.269 1.00 14.55 C ATOM 1626 O ARG A 125 -2.545 -21.266 23.469 1.00 15.07 O ATOM 1627 CB ARG A 125 -2.568 -23.827 22.000 1.00 11.98 C ATOM 1628 CG ARG A 125 -3.397 -24.991 21.443 1.00 13.07 C ATOM 1629 CD ARG A 125 -2.806 -26.364 21.779 1.00 16.93 C ATOM 1630 NE ARG A 125 -3.787 -27.430 21.533 1.00 15.42 N ATOM 1631 CZ ARG A 125 -4.070 -27.989 20.344 1.00 14.32 C ATOM 1632 NH1 ARG A 125 -3.455 -27.594 19.220 1.00 14.07 N ATOM 1633 NH2 ARG A 125 -4.995 -28.955 20.282 1.00 17.04 N1+ ATOM 1634 H ARG A 125 -1.929 -23.035 19.697 1.00 14.21 H ATOM 1635 HA ARG A 125 -4.073 -22.327 21.560 1.00 14.03 H ATOM 1636 HB2 ARG A 125 -1.511 -23.991 21.804 1.00 14.37 H ATOM 1637 HB3 ARG A 125 -2.667 -23.845 23.087 1.00 14.37 H ATOM 1638 HG2 ARG A 125 -4.411 -24.914 21.838 1.00 15.69 H ATOM 1639 HG3 ARG A 125 -3.481 -24.906 20.359 1.00 15.69 H ATOM 1640 HD2 ARG A 125 -1.888 -26.547 21.218 1.00 20.32 H ATOM 1641 HD3 ARG A 125 -2.539 -26.402 22.835 1.00 20.32 H ATOM 1642 HE ARG A 125 -4.306 -27.738 22.343 1.00 18.50 H ATOM 1643 HH11 ARG A 125 -2.752 -26.870 19.260 1.00 16.88 H ATOM 1644 HH12 ARG A 125 -3.676 -28.020 18.332 1.00 16.88 H ATOM 1645 HH21 ARG A 125 -5.466 -29.265 21.120 1.00 20.45 H ATOM 1646 HH22 ARG A 125 -5.221 -29.392 19.401 1.00 20.45 H ATOM 1647 N ALA A 126 -1.438 -20.526 21.650 1.00 13.46 N ATOM 1648 CA ALA A 126 -0.800 -19.362 22.269 1.00 13.00 C ATOM 1649 C ALA A 126 -1.810 -18.265 22.657 1.00 11.89 C ATOM 1650 O ALA A 126 -1.570 -17.530 23.613 1.00 14.23 O ATOM 1651 CB ALA A 126 0.228 -18.795 21.282 1.00 15.93 C ATOM 1652 H ALA A 126 -1.260 -20.674 20.666 1.00 16.15 H ATOM 1653 HA ALA A 126 -0.288 -19.685 23.175 1.00 15.60 H ATOM 1654 HB1 ALA A 126 0.735 -17.921 21.691 1.00 19.11 H ATOM 1655 HB2 ALA A 126 0.994 -19.535 21.046 1.00 19.11 H ATOM 1656 HB3 ALA A 126 -0.248 -18.500 20.346 1.00 19.11 H ATOM 1657 N TRP A 127 -2.952 -18.200 21.952 1.00 11.38 N ATOM 1658 CA TRP A 127 -4.127 -17.417 22.314 1.00 11.15 C ATOM 1659 C TRP A 127 -5.105 -18.334 23.065 1.00 10.48 C ATOM 1660 O TRP A 127 -5.480 -19.396 22.563 1.00 11.09 O ATOM 1661 CB TRP A 127 -4.813 -16.944 21.022 1.00 10.79 C ATOM 1662 CG TRP A 127 -4.034 -15.966 20.192 1.00 10.01 C ATOM 1663 CD1 TRP A 127 -3.986 -14.629 20.388 1.00 11.31 C ATOM 1664 CD2 TRP A 127 -3.235 -16.221 18.997 1.00 10.64 C ATOM 1665 NE1 TRP A 127 -3.231 -14.041 19.395 1.00 11.70 N ATOM 1666 CE2 TRP A 127 -2.763 -14.971 18.491 1.00 10.77 C ATOM 1667 CE3 TRP A 127 -2.878 -17.382 18.274 1.00 9.07 C ATOM 1668 CZ2 TRP A 127 -2.008 -14.875 17.308 1.00 10.87 C ATOM 1669 CZ3 TRP A 127 -2.118 -17.299 17.091 1.00 10.65 C ATOM 1670 CH2 TRP A 127 -1.691 -16.050 16.604 1.00 10.80 C ATOM 1671 H TRP A 127 -3.065 -18.849 21.187 1.00 13.66 H ATOM 1672 HA TRP A 127 -3.861 -16.554 22.928 1.00 13.38 H ATOM 1673 HB2 TRP A 127 -5.069 -17.794 20.386 1.00 12.95 H ATOM 1674 HB3 TRP A 127 -5.762 -16.474 21.275 1.00 12.95 H ATOM 1675 HD1 TRP A 127 -4.493 -14.108 21.187 1.00 13.57 H ATOM 1676 HE1 TRP A 127 -3.108 -13.040 19.340 1.00 14.04 H ATOM 1677 HE3 TRP A 127 -3.210 -18.346 18.625 1.00 10.88 H ATOM 1678 HZ2 TRP A 127 -1.679 -13.916 16.940 1.00 13.04 H ATOM 1679 HZ3 TRP A 127 -1.872 -18.198 16.549 1.00 12.78 H ATOM 1680 HH2 TRP A 127 -1.114 -15.998 15.694 1.00 12.96 H ATOM 1681 N VAL A 128 -5.520 -17.911 24.269 1.00 12.74 N ATOM 1682 CA VAL A 128 -6.434 -18.649 25.146 1.00 10.43 C ATOM 1683 C VAL A 128 -7.898 -18.579 24.662 1.00 11.58 C ATOM 1684 O VAL A 128 -8.670 -19.484 24.972 1.00 11.77 O ATOM 1685 CB VAL A 128 -6.287 -18.111 26.598 1.00 16.00 C ATOM 1686 CG1 VAL A 128 -6.728 -16.645 26.783 1.00 24.69 C ATOM 1687 CG2 VAL A 128 -6.972 -19.019 27.637 1.00 19.49 C ATOM 1688 H VAL A 128 -5.169 -17.027 24.611 1.00 15.29 H ATOM 1689 HA VAL A 128 -6.132 -19.697 25.135 1.00 12.52 H ATOM 1690 HB VAL A 128 -5.222 -18.146 26.831 1.00 19.20 H ATOM 1691 HG11 VAL A 128 -6.493 -16.295 27.788 1.00 29.62 H ATOM 1692 HG12 VAL A 128 -6.222 -15.979 26.084 1.00 29.62 H ATOM 1693 HG13 VAL A 128 -7.802 -16.523 26.642 1.00 29.62 H ATOM 1694 HG21 VAL A 128 -6.719 -18.709 28.651 1.00 23.39 H ATOM 1695 HG22 VAL A 128 -8.059 -18.988 27.551 1.00 23.39 H ATOM 1696 HG23 VAL A 128 -6.657 -20.057 27.524 1.00 23.39 H ATOM 1697 N ALA A 129 -8.274 -17.560 23.865 1.00 12.19 N ATOM 1698 CA ALA A 129 -9.612 -17.415 23.286 1.00 12.90 C ATOM 1699 C ALA A 129 -9.899 -18.478 22.213 1.00 12.89 C ATOM 1700 O ALA A 129 -11.052 -18.872 22.059 1.00 11.98 O ATOM 1701 CB ALA A 129 -9.742 -16.029 22.643 1.00 14.64 C ATOM 1702 H ALA A 129 -7.592 -16.850 23.637 1.00 14.63 H ATOM 1703 HA ALA A 129 -10.351 -17.508 24.086 1.00 15.48 H ATOM 1704 HB1 ALA A 129 -10.766 -15.838 22.317 1.00 17.57 H ATOM 1705 HB2 ALA A 129 -9.467 -15.236 23.339 1.00 17.57 H ATOM 1706 HB3 ALA A 129 -9.102 -15.944 21.766 1.00 17.57 H ATOM 1707 N ARG A 130 -8.859 -18.988 21.526 1.00 11.16 N ATOM 1708 CA ARG A 130 -8.963 -20.119 20.607 1.00 9.70 C ATOM 1709 C ARG A 130 -9.161 -21.439 21.374 1.00 9.80 C ATOM 1710 O ARG A 130 -9.921 -22.289 20.920 1.00 9.82 O ATOM 1711 CB ARG A 130 -7.700 -20.208 19.754 1.00 0.00 C ATOM 1712 CG ARG A 130 -7.611 -21.267 18.632 1.00 0.00 C ATOM 1713 CD ARG A 130 -8.127 -20.912 17.238 1.00 0.00 C ATOM 1714 NE ARG A 130 -7.972 -22.019 16.289 1.00 0.00 N ATOM 1715 CZ ARG A 130 -6.874 -22.239 15.542 1.00 0.00 C ATOM 1716 NH1 ARG A 130 -5.834 -21.379 15.589 1.00 0.00 N ATOM 1717 NH2 ARG A 130 -6.848 -23.327 14.745 1.00 0.00 N1+ ATOM 1718 H ARG A 130 -7.937 -18.616 21.707 1.00 13.39 H ATOM 1719 HA ARG A 130 -9.820 -19.959 19.951 1.00 11.64 H ATOM 1720 HB2 ARG A 130 -7.540 -19.260 19.241 1.00 0.00 H ATOM 1721 HB3 ARG A 130 -6.844 -20.424 20.394 1.00 0.00 H ATOM 1722 HG2 ARG A 130 -6.568 -21.544 18.476 1.00 0.00 H ATOM 1723 HG3 ARG A 130 -8.181 -22.150 18.919 1.00 0.00 H ATOM 1724 HD2 ARG A 130 -9.187 -20.663 17.294 1.00 0.00 H ATOM 1725 HD3 ARG A 130 -7.573 -20.057 16.851 1.00 0.00 H ATOM 1726 HE ARG A 130 -8.765 -22.641 16.216 1.00 0.00 H ATOM 1727 HH12 ARG A 130 -5.012 -21.549 15.026 1.00 0.00 H ATOM 1728 HH11 ARG A 130 -5.877 -20.567 16.187 1.00 0.00 H ATOM 1729 HH22 ARG A 130 -6.036 -23.515 14.175 1.00 0.00 H ATOM 1730 HH21 ARG A 130 -7.640 -23.953 14.719 1.00 0.00 H ATOM 1731 N ARG A 131 -8.524 -21.604 22.546 1.00 9.44 N ATOM 1732 CA ARG A 131 -8.669 -22.787 23.399 1.00 9.96 C ATOM 1733 C ARG A 131 -10.072 -22.889 24.030 1.00 11.02 C ATOM 1734 O ARG A 131 -10.525 -23.996 24.317 1.00 10.76 O ATOM 1735 CB ARG A 131 -7.616 -22.751 24.524 1.00 12.45 C ATOM 1736 CG ARG A 131 -6.160 -22.829 24.026 1.00 12.75 C ATOM 1737 CD ARG A 131 -5.136 -22.744 25.166 1.00 18.24 C ATOM 1738 NE ARG A 131 -5.271 -23.859 26.115 1.00 26.35 N ATOM 1739 CZ ARG A 131 -4.701 -23.919 27.331 1.00 37.67 C ATOM 1740 NH1 ARG A 131 -3.915 -22.931 27.782 1.00 20.62 N ATOM 1741 NH2 ARG A 131 -4.923 -24.987 28.107 1.00 33.16 N1+ ATOM 1742 H ARG A 131 -7.926 -20.859 22.877 1.00 11.33 H ATOM 1743 HA ARG A 131 -8.501 -23.677 22.794 1.00 11.95 H ATOM 1744 HB2 ARG A 131 -7.742 -21.856 25.131 1.00 14.94 H ATOM 1745 HB3 ARG A 131 -7.796 -23.591 25.197 1.00 14.94 H ATOM 1746 HG2 ARG A 131 -6.005 -23.746 23.460 1.00 15.30 H ATOM 1747 HG3 ARG A 131 -5.964 -22.014 23.329 1.00 15.30 H ATOM 1748 HD2 ARG A 131 -4.126 -22.770 24.763 1.00 21.89 H ATOM 1749 HD3 ARG A 131 -5.248 -21.799 25.696 1.00 21.89 H ATOM 1750 HE ARG A 131 -5.833 -24.637 25.802 1.00 31.62 H ATOM 1751 HH11 ARG A 131 -3.738 -22.124 27.201 1.00 24.75 H ATOM 1752 HH12 ARG A 131 -3.494 -22.981 28.699 1.00 24.75 H ATOM 1753 HH21 ARG A 131 -5.517 -25.738 27.786 1.00 39.80 H ATOM 1754 HH22 ARG A 131 -4.505 -25.049 29.024 1.00 39.80 H ATOM 1755 N ASN A 132 -10.755 -21.749 24.225 1.00 12.44 N ATOM 1756 CA ASN A 132 -12.086 -21.657 24.823 1.00 10.95 C ATOM 1757 C ASN A 132 -13.205 -21.733 23.767 1.00 10.98 C ATOM 1758 O ASN A 132 -14.254 -22.306 24.062 1.00 12.17 O ATOM 1759 CB ASN A 132 -12.231 -20.284 25.532 1.00 14.32 C ATOM 1760 CG ASN A 132 -11.296 -20.033 26.724 1.00 15.59 C ATOM 1761 OD1 ASN A 132 -11.007 -18.881 27.036 1.00 16.32 O ATOM 1762 ND2 ASN A 132 -10.839 -21.081 27.414 1.00 16.53 N ATOM 1763 H ASN A 132 -10.300 -20.881 23.976 1.00 14.93 H ATOM 1764 HA ASN A 132 -12.240 -22.465 25.541 1.00 13.14 H ATOM 1765 HB2 ASN A 132 -12.062 -19.479 24.815 1.00 17.18 H ATOM 1766 HB3 ASN A 132 -13.252 -20.157 25.897 1.00 17.18 H ATOM 1767 HD21 ASN A 132 -10.231 -20.924 28.205 1.00 19.83 H ATOM 1768 HD22 ASN A 132 -11.092 -22.020 27.144 1.00 19.83 H ATOM 1769 N ARG A 133 -13.012 -21.142 22.573 1.00 10.83 N ATOM 1770 CA ARG A 133 -14.080 -20.868 21.603 1.00 10.35 C ATOM 1771 C ARG A 133 -13.917 -21.587 20.253 1.00 10.16 C ATOM 1772 O ARG A 133 -14.798 -21.431 19.406 1.00 12.67 O ATOM 1773 CB ARG A 133 -14.166 -19.346 21.338 1.00 12.59 C ATOM 1774 CG ARG A 133 -14.348 -18.445 22.572 1.00 16.47 C ATOM 1775 CD ARG A 133 -15.724 -18.579 23.232 1.00 13.15 C ATOM 1776 NE ARG A 133 -15.911 -17.536 24.250 1.00 14.28 N ATOM 1777 CZ ARG A 133 -17.087 -17.058 24.692 1.00 15.35 C ATOM 1778 NH1 ARG A 133 -18.254 -17.523 24.224 1.00 18.45 N ATOM 1779 NH2 ARG A 133 -17.092 -16.097 25.624 1.00 17.58 N1+ ATOM 1780 H ARG A 133 -12.120 -20.697 22.402 1.00 13.00 H ATOM 1781 HA ARG A 133 -15.045 -21.190 21.999 1.00 12.42 H ATOM 1782 HB2 ARG A 133 -13.277 -19.021 20.796 1.00 15.11 H ATOM 1783 HB3 ARG A 133 -14.999 -19.152 20.663 1.00 15.11 H ATOM 1784 HG2 ARG A 133 -13.561 -18.627 23.302 1.00 19.77 H ATOM 1785 HG3 ARG A 133 -14.215 -17.409 22.260 1.00 19.77 H ATOM 1786 HD2 ARG A 133 -16.498 -18.478 22.471 1.00 15.79 H ATOM 1787 HD3 ARG A 133 -15.843 -19.560 23.693 1.00 15.79 H ATOM 1788 HE ARG A 133 -15.064 -17.176 24.665 1.00 17.14 H ATOM 1789 HH11 ARG A 133 -18.260 -18.241 23.514 1.00 22.14 H ATOM 1790 HH12 ARG A 133 -19.131 -17.156 24.566 1.00 22.14 H ATOM 1791 HH21 ARG A 133 -16.223 -15.731 25.987 1.00 21.10 H ATOM 1792 HH22 ARG A 133 -17.964 -15.723 25.971 1.00 21.10 H ATOM 1793 N CYS A 134 -12.821 -22.335 20.020 1.00 9.65 N ATOM 1794 CA CYS A 134 -12.471 -22.903 18.708 1.00 9.51 C ATOM 1795 C CYS A 134 -11.950 -24.344 18.776 1.00 9.24 C ATOM 1796 O CYS A 134 -12.220 -25.125 17.863 1.00 9.81 O ATOM 1797 CB CYS A 134 -11.474 -21.987 17.966 1.00 9.16 C ATOM 1798 SG CYS A 134 -11.924 -20.237 17.840 1.00 10.41 S ATOM 1799 H CYS A 134 -12.130 -22.408 20.753 1.00 11.58 H ATOM 1800 HA CYS A 134 -13.372 -22.958 18.094 1.00 11.41 H ATOM 1801 HB2 CYS A 134 -10.517 -22.029 18.477 1.00 11.00 H ATOM 1802 HB3 CYS A 134 -11.291 -22.365 16.959 1.00 11.00 H ATOM 1803 N GLN A 135 -11.197 -24.695 19.833 1.00 9.36 N ATOM 1804 CA GLN A 135 -10.521 -25.983 19.990 1.00 9.57 C ATOM 1805 C GLN A 135 -11.541 -27.091 20.298 1.00 9.95 C ATOM 1806 O GLN A 135 -12.313 -26.982 21.250 1.00 10.33 O ATOM 1807 CB GLN A 135 -9.501 -25.871 21.144 1.00 10.53 C ATOM 1808 CG GLN A 135 -8.596 -27.114 21.289 1.00 11.51 C ATOM 1809 CD GLN A 135 -7.685 -27.071 22.517 1.00 12.86 C ATOM 1810 OE1 GLN A 135 -7.134 -26.030 22.865 1.00 16.29 O ATOM 1811 NE2 GLN A 135 -7.518 -28.217 23.180 1.00 19.61 N ATOM 1812 H GLN A 135 -10.997 -23.991 20.530 1.00 11.23 H ATOM 1813 HA GLN A 135 -9.986 -26.207 19.065 1.00 11.48 H ATOM 1814 HB2 GLN A 135 -8.875 -24.998 20.968 1.00 12.64 H ATOM 1815 HB3 GLN A 135 -10.023 -25.680 22.083 1.00 12.64 H ATOM 1816 HG2 GLN A 135 -9.201 -28.015 21.346 1.00 13.81 H ATOM 1817 HG3 GLN A 135 -7.975 -27.229 20.402 1.00 13.81 H ATOM 1818 HE21 GLN A 135 -8.024 -29.043 22.890 1.00 23.53 H ATOM 1819 HE22 GLN A 135 -6.944 -28.238 24.010 1.00 23.53 H ATOM 1820 N ASN A 136 -11.531 -28.142 19.460 1.00 11.01 N ATOM 1821 CA ASN A 136 -12.362 -29.354 19.529 1.00 11.25 C ATOM 1822 C ASN A 136 -13.809 -29.147 19.038 1.00 14.13 C ATOM 1823 O ASN A 136 -14.630 -30.056 19.156 1.00 17.91 O ATOM 1824 CB ASN A 136 -12.262 -30.115 20.882 1.00 13.52 C ATOM 1825 CG ASN A 136 -10.843 -30.572 21.241 1.00 13.20 C ATOM 1826 OD1 ASN A 136 -10.271 -30.123 22.232 1.00 14.03 O ATOM 1827 ND2 ASN A 136 -10.283 -31.501 20.463 1.00 14.66 N ATOM 1828 H ASN A 136 -10.870 -28.109 18.698 1.00 13.22 H ATOM 1829 HA ASN A 136 -11.934 -30.009 18.770 1.00 13.50 H ATOM 1830 HB2 ASN A 136 -12.657 -29.508 21.696 1.00 16.22 H ATOM 1831 HB3 ASN A 136 -12.887 -31.008 20.856 1.00 16.22 H ATOM 1832 HD21 ASN A 136 -9.360 -31.846 20.685 1.00 17.59 H ATOM 1833 HD22 ASN A 136 -10.788 -31.872 19.672 1.00 17.59 H ATOM 1834 N ARG A 137 -14.120 -27.961 18.489 1.00 10.49 N ATOM 1835 CA ARG A 137 -15.425 -27.574 17.960 1.00 10.62 C ATOM 1836 C ARG A 137 -15.423 -27.620 16.426 1.00 11.08 C ATOM 1837 O ARG A 137 -14.369 -27.572 15.788 1.00 11.61 O ATOM 1838 CB ARG A 137 -15.704 -26.113 18.366 1.00 12.36 C ATOM 1839 CG ARG A 137 -15.775 -25.887 19.884 1.00 12.15 C ATOM 1840 CD ARG A 137 -16.253 -24.469 20.203 1.00 13.49 C ATOM 1841 NE ARG A 137 -16.113 -24.148 21.631 1.00 13.40 N ATOM 1842 CZ ARG A 137 -17.113 -24.017 22.521 1.00 13.93 C ATOM 1843 NH1 ARG A 137 -18.393 -24.233 22.183 1.00 18.62 N ATOM 1844 NH2 ARG A 137 -16.825 -23.665 23.779 1.00 15.20 N1+ ATOM 1845 H ARG A 137 -13.382 -27.274 18.412 1.00 12.59 H ATOM 1846 HA ARG A 137 -16.215 -28.222 18.345 1.00 12.75 H ATOM 1847 HB2 ARG A 137 -14.947 -25.451 17.941 1.00 14.83 H ATOM 1848 HB3 ARG A 137 -16.653 -25.795 17.930 1.00 14.83 H ATOM 1849 HG2 ARG A 137 -16.460 -26.608 20.331 1.00 14.58 H ATOM 1850 HG3 ARG A 137 -14.799 -26.061 20.338 1.00 14.58 H ATOM 1851 HD2 ARG A 137 -15.643 -23.769 19.641 1.00 16.19 H ATOM 1852 HD3 ARG A 137 -17.276 -24.317 19.859 1.00 16.19 H ATOM 1853 HE ARG A 137 -15.167 -24.004 21.956 1.00 16.08 H ATOM 1854 HH11 ARG A 137 -18.624 -24.506 21.239 1.00 22.35 H ATOM 1855 HH12 ARG A 137 -19.131 -24.133 22.864 1.00 22.35 H ATOM 1856 HH21 ARG A 137 -15.870 -23.445 24.038 1.00 18.24 H ATOM 1857 HH22 ARG A 137 -17.554 -23.579 24.471 1.00 18.24 H ATOM 1858 N ASP A 138 -16.633 -27.642 15.843 1.00 10.42 N ATOM 1859 CA ASP A 138 -16.879 -27.434 14.419 1.00 9.99 C ATOM 1860 C ASP A 138 -16.786 -25.922 14.127 1.00 11.40 C ATOM 1861 O ASP A 138 -17.535 -25.125 14.696 1.00 11.70 O ATOM 1862 CB ASP A 138 -18.289 -27.991 14.088 1.00 11.82 C ATOM 1863 CG ASP A 138 -18.705 -27.949 12.611 1.00 11.91 C ATOM 1864 OD1 ASP A 138 -17.907 -27.487 11.766 1.00 12.84 O ATOM 1865 OD2 ASP A 138 -19.824 -28.431 12.333 1.00 12.24 O1- ATOM 1866 H ASP A 138 -17.446 -27.685 16.439 1.00 12.50 H ATOM 1867 HA ASP A 138 -16.132 -27.979 13.838 1.00 11.99 H ATOM 1868 HB2 ASP A 138 -18.343 -29.033 14.406 1.00 14.19 H ATOM 1869 HB3 ASP A 138 -19.048 -27.461 14.666 1.00 14.19 H ATOM 1870 N VAL A 139 -15.847 -25.556 13.244 1.00 9.74 N ATOM 1871 CA VAL A 139 -15.483 -24.185 12.877 1.00 11.86 C ATOM 1872 C VAL A 139 -15.697 -23.913 11.372 1.00 11.26 C ATOM 1873 O VAL A 139 -15.303 -22.856 10.883 1.00 10.63 O ATOM 1874 CB VAL A 139 -14.037 -23.872 13.367 1.00 11.90 C ATOM 1875 CG1 VAL A 139 -13.937 -23.817 14.903 1.00 14.14 C ATOM 1876 CG2 VAL A 139 -12.973 -24.836 12.807 1.00 14.24 C ATOM 1877 H VAL A 139 -15.291 -26.291 12.831 1.00 11.70 H ATOM 1878 HA VAL A 139 -16.154 -23.484 13.377 1.00 14.24 H ATOM 1879 HB VAL A 139 -13.774 -22.875 13.014 1.00 14.28 H ATOM 1880 HG11 VAL A 139 -12.948 -23.484 15.219 1.00 16.96 H ATOM 1881 HG12 VAL A 139 -14.664 -23.126 15.328 1.00 16.96 H ATOM 1882 HG13 VAL A 139 -14.112 -24.794 15.353 1.00 16.96 H ATOM 1883 HG21 VAL A 139 -11.969 -24.494 13.062 1.00 17.09 H ATOM 1884 HG22 VAL A 139 -13.089 -25.841 13.215 1.00 17.09 H ATOM 1885 HG23 VAL A 139 -13.023 -24.915 11.722 1.00 17.09 H ATOM 1886 N ARG A 140 -16.351 -24.834 10.638 1.00 10.77 N ATOM 1887 CA ARG A 140 -16.593 -24.758 9.189 1.00 11.44 C ATOM 1888 C ARG A 140 -17.540 -23.613 8.775 1.00 11.21 C ATOM 1889 O ARG A 140 -17.511 -23.192 7.618 1.00 10.96 O ATOM 1890 CB ARG A 140 -17.204 -26.092 8.710 1.00 13.09 C ATOM 1891 CG ARG A 140 -16.279 -27.313 8.880 1.00 13.50 C ATOM 1892 CD ARG A 140 -16.944 -28.625 8.435 0.79 15.01 C ATOM 1893 NE ARG A 140 -18.003 -29.028 9.371 0.62 11.54 N ATOM 1894 CZ ARG A 140 -18.871 -30.040 9.207 0.76 14.33 C ATOM 1895 NH1 ARG A 140 -18.829 -30.827 8.123 0.76 18.58 N ATOM 1896 NH2 ARG A 140 -19.796 -30.262 10.149 0.75 15.74 N1+ ATOM 1897 H ARG A 140 -16.689 -25.662 11.112 1.00 12.92 H ATOM 1898 HA ARG A 140 -15.637 -24.599 8.687 1.00 13.73 H ATOM 1899 HB2 ARG A 140 -18.141 -26.268 9.240 1.00 15.71 H ATOM 1900 HB3 ARG A 140 -17.470 -26.014 7.654 1.00 15.71 H ATOM 1901 HG2 ARG A 140 -15.370 -27.158 8.298 1.00 16.21 H ATOM 1902 HG3 ARG A 140 -15.955 -27.407 9.917 1.00 16.21 H ATOM 1903 HD2 ARG A 140 -17.357 -28.521 7.432 1.00 18.01 H ATOM 1904 HD3 ARG A 140 -16.202 -29.422 8.398 0.91 18.01 H ATOM 1905 HE ARG A 140 -18.060 -28.482 10.229 0.12 13.85 H ATOM 1906 HH11 ARG A 140 -18.133 -30.664 7.411 1.00 22.30 H ATOM 1907 HH12 ARG A 140 -19.487 -31.585 8.011 0.60 22.30 H ATOM 1908 HH21 ARG A 140 -19.845 -29.648 10.961 0.48 18.89 H ATOM 1909 HH22 ARG A 140 -20.462 -31.014 10.060 0.08 18.89 H ATOM 1910 N GLN A 141 -18.354 -23.102 9.715 1.00 10.32 N ATOM 1911 CA GLN A 141 -19.315 -22.012 9.543 1.00 12.69 C ATOM 1912 C GLN A 141 -18.676 -20.641 9.249 1.00 11.30 C ATOM 1913 O GLN A 141 -19.327 -19.807 8.621 1.00 13.64 O ATOM 1914 CB GLN A 141 -20.190 -21.924 10.816 1.00 12.42 C ATOM 1915 CG GLN A 141 -19.422 -21.661 12.135 1.00 13.90 C ATOM 1916 CD GLN A 141 -20.366 -21.441 13.317 1.00 20.81 C ATOM 1917 OE1 GLN A 141 -21.179 -20.520 13.306 0.00 17.95 O ATOM 1918 NE2 GLN A 141 -20.253 -22.278 14.350 1.00 17.54 N ATOM 1919 H GLN A 141 -18.303 -23.516 10.635 1.00 12.38 H ATOM 1920 HA GLN A 141 -19.959 -22.265 8.700 1.00 15.23 H ATOM 1921 HB2 GLN A 141 -20.939 -21.143 10.668 1.00 14.90 H ATOM 1922 HB3 GLN A 141 -20.757 -22.850 10.915 1.00 14.90 H ATOM 1923 HG2 GLN A 141 -18.743 -22.487 12.351 1.00 16.68 H ATOM 1924 HG3 GLN A 141 -18.804 -20.768 12.055 1.00 16.68 H ATOM 1925 HE21 GLN A 141 -19.573 -23.025 14.330 1.00 21.05 H ATOM 1926 HE22 GLN A 141 -20.859 -22.163 15.149 1.00 21.05 H ATOM 1927 N TYR A 142 -17.426 -20.401 9.685 1.00 9.99 N ATOM 1928 CA TYR A 142 -16.752 -19.103 9.567 1.00 11.94 C ATOM 1929 C TYR A 142 -16.141 -18.870 8.170 1.00 10.89 C ATOM 1930 O TYR A 142 -15.823 -17.729 7.839 1.00 11.30 O ATOM 1931 CB TYR A 142 -15.619 -19.021 10.610 1.00 11.67 C ATOM 1932 CG TYR A 142 -16.065 -19.136 12.056 1.00 10.80 C ATOM 1933 CD1 TYR A 142 -16.914 -18.162 12.624 1.00 16.02 C ATOM 1934 CD2 TYR A 142 -15.632 -20.222 12.842 1.00 12.00 C ATOM 1935 CE1 TYR A 142 -17.341 -18.289 13.961 1.00 16.53 C ATOM 1936 CE2 TYR A 142 -16.072 -20.357 14.171 1.00 12.70 C ATOM 1937 CZ TYR A 142 -16.922 -19.389 14.734 1.00 12.81 C ATOM 1938 OH TYR A 142 -17.337 -19.522 16.027 1.00 14.98 O ATOM 1939 H TYR A 142 -16.940 -21.134 10.183 1.00 11.99 H ATOM 1940 HA TYR A 142 -17.469 -18.307 9.766 1.00 14.34 H ATOM 1941 HB2 TYR A 142 -14.846 -19.764 10.401 1.00 14.00 H ATOM 1942 HB3 TYR A 142 -15.143 -18.046 10.525 1.00 14.00 H ATOM 1943 HD1 TYR A 142 -17.246 -17.320 12.035 1.00 19.22 H ATOM 1944 HD2 TYR A 142 -14.957 -20.954 12.430 1.00 14.40 H ATOM 1945 HE1 TYR A 142 -18.001 -17.548 14.388 1.00 19.83 H ATOM 1946 HE2 TYR A 142 -15.743 -21.199 14.759 1.00 15.24 H ATOM 1947 HH TYR A 142 -17.051 -20.336 16.415 1.00 17.98 H ATOM 1948 N VAL A 143 -16.021 -19.926 7.349 1.00 11.04 N ATOM 1949 CA VAL A 143 -15.481 -19.921 5.985 1.00 9.85 C ATOM 1950 C VAL A 143 -16.515 -20.400 4.945 1.00 11.38 C ATOM 1951 O VAL A 143 -16.182 -20.502 3.764 1.00 11.44 O ATOM 1952 CB VAL A 143 -14.165 -20.746 5.934 1.00 10.12 C ATOM 1953 CG1 VAL A 143 -13.001 -20.008 6.614 1.00 12.19 C ATOM 1954 CG2 VAL A 143 -14.314 -22.177 6.487 1.00 12.39 C ATOM 1955 H VAL A 143 -16.314 -20.824 7.709 1.00 13.25 H ATOM 1956 HA VAL A 143 -15.243 -18.899 5.687 1.00 11.83 H ATOM 1957 HB VAL A 143 -13.874 -20.849 4.889 1.00 12.15 H ATOM 1958 HG11 VAL A 143 -12.079 -20.586 6.550 1.00 14.63 H ATOM 1959 HG12 VAL A 143 -12.816 -19.047 6.135 1.00 14.63 H ATOM 1960 HG13 VAL A 143 -13.206 -19.819 7.667 1.00 14.63 H ATOM 1961 HG21 VAL A 143 -13.398 -22.748 6.333 1.00 14.86 H ATOM 1962 HG22 VAL A 143 -14.524 -22.180 7.557 1.00 14.86 H ATOM 1963 HG23 VAL A 143 -15.119 -22.719 5.989 1.00 14.86 H ATOM 1964 N GLN A 144 -17.763 -20.678 5.365 1.00 12.36 N ATOM 1965 CA GLN A 144 -18.828 -21.222 4.526 1.00 11.97 C ATOM 1966 C GLN A 144 -19.356 -20.167 3.536 1.00 12.53 C ATOM 1967 O GLN A 144 -19.773 -19.081 3.941 1.00 11.74 O ATOM 1968 CB GLN A 144 -19.973 -21.710 5.447 1.00 17.88 C ATOM 1969 CG GLN A 144 -21.123 -22.449 4.722 1.00 18.59 C ATOM 1970 CD GLN A 144 -20.756 -23.806 4.101 0.44 21.81 C ATOM 1971 OE1 GLN A 144 -21.486 -24.300 3.248 0.27 22.63 O ATOM 1972 NE2 GLN A 144 -19.632 -24.413 4.493 0.28 26.44 N ATOM 1973 H GLN A 144 -17.968 -20.559 6.347 1.00 14.83 H ATOM 1974 HA GLN A 144 -18.413 -22.064 3.971 1.00 14.37 H ATOM 1975 HB2 GLN A 144 -19.570 -22.355 6.227 1.00 21.45 H ATOM 1976 HB3 GLN A 144 -20.394 -20.858 5.985 1.00 21.45 H ATOM 1977 HG2 GLN A 144 -21.923 -22.635 5.439 1.00 22.31 H ATOM 1978 HG3 GLN A 144 -21.564 -21.817 3.950 1.00 22.31 H ATOM 1979 HE21 GLN A 144 -19.046 -23.991 5.200 1.00 31.73 H ATOM 1980 HE22 GLN A 144 -19.380 -25.301 4.086 0.70 31.73 H ATOM 1981 N GLY A 145 -19.344 -20.518 2.239 1.00 10.69 N ATOM 1982 CA GLY A 145 -19.853 -19.712 1.129 1.00 10.87 C ATOM 1983 C GLY A 145 -18.941 -18.562 0.676 1.00 9.87 C ATOM 1984 O GLY A 145 -19.368 -17.751 -0.144 1.00 10.70 O ATOM 1985 H GLY A 145 -18.978 -21.430 2.004 1.00 12.83 H ATOM 1986 HA2 GLY A 145 -20.014 -20.374 0.278 1.00 13.04 H ATOM 1987 HA3 GLY A 145 -20.831 -19.305 1.392 1.00 13.04 H ATOM 1988 N CYS A 146 -17.712 -18.471 1.211 1.00 9.49 N ATOM 1989 CA CYS A 146 -16.807 -17.335 1.022 1.00 9.47 C ATOM 1990 C CYS A 146 -15.853 -17.484 -0.178 1.00 11.34 C ATOM 1991 O CYS A 146 -15.127 -16.536 -0.480 1.00 12.57 O ATOM 1992 CB CYS A 146 -15.956 -17.191 2.297 1.00 9.13 C ATOM 1993 SG CYS A 146 -16.880 -16.971 3.842 1.00 10.14 S ATOM 1994 H CYS A 146 -17.434 -19.173 1.882 1.00 11.39 H ATOM 1995 HA CYS A 146 -17.383 -16.422 0.868 1.00 11.37 H ATOM 1996 HB2 CYS A 146 -15.320 -18.063 2.430 1.00 10.96 H ATOM 1997 HB3 CYS A 146 -15.282 -16.338 2.202 1.00 10.96 H ATOM 1998 N GLY A 147 -15.860 -18.637 -0.872 1.00 12.86 N ATOM 1999 CA GLY A 147 -15.027 -18.906 -2.045 1.00 17.28 C ATOM 2000 C GLY A 147 -13.567 -19.224 -1.698 1.00 18.61 C ATOM 2001 O GLY A 147 -12.664 -18.809 -2.424 1.00 19.90 O ATOM 2002 H GLY A 147 -16.493 -19.365 -0.576 1.00 15.44 H ATOM 2003 HA2 GLY A 147 -15.448 -19.759 -2.578 1.00 20.73 H ATOM 2004 HA3 GLY A 147 -15.066 -18.059 -2.733 1.00 20.73 H ATOM 2005 N VAL A 148 -13.347 -19.923 -0.574 1.00 13.28 N ATOM 2006 CA VAL A 148 -12.048 -20.240 0.018 1.00 13.54 C ATOM 2007 C VAL A 148 -11.895 -21.755 0.231 1.00 18.84 C ATOM 2008 O VAL A 148 -10.727 -22.193 0.314 1.00 19.94 O ATOM 2009 CB VAL A 148 -11.842 -19.427 1.322 1.00 14.26 C ATOM 2010 CG1 VAL A 148 -11.822 -17.909 1.071 1.00 15.42 C ATOM 2011 CG2 VAL A 148 -12.849 -19.789 2.431 1.00 15.43 C ATOM 2012 OXT VAL A 148 -12.933 -22.448 0.320 1.00 20.39 O1- ATOM 2013 H VAL A 148 -14.151 -20.261 -0.066 1.00 15.93 H ATOM 2014 HA VAL A 148 -11.256 -19.956 -0.677 1.00 16.25 H ATOM 2015 HB VAL A 148 -10.852 -19.684 1.697 1.00 17.11 H ATOM 2016 HG11 VAL A 148 -11.563 -17.373 1.982 1.00 18.50 H ATOM 2017 HG12 VAL A 148 -11.085 -17.642 0.313 1.00 18.50 H ATOM 2018 HG13 VAL A 148 -12.792 -17.539 0.742 1.00 18.50 H ATOM 2019 HG21 VAL A 148 -12.737 -19.142 3.300 1.00 18.52 H ATOM 2020 HG22 VAL A 148 -13.877 -19.704 2.084 1.00 18.52 H ATOM 2021 HG23 VAL A 148 -12.708 -20.814 2.774 1.00 18.52 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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