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*** HYDROLASE 01-APR-22 7XF6 ***elNémo ID: 2407290641081920457Job options:ID = 2407290641081920457 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 THR A 74 -6.537 -7.356 15.203 1.00 8.28 N ATOM 868 CA THR A 74 -7.602 -8.293 14.843 1.00 8.77 C ATOM 869 C THR A 74 -7.456 -9.671 15.528 1.00 8.20 C ATOM 870 O THR A 74 -8.451 -10.370 15.709 1.00 8.99 O ATOM 871 CB THR A 74 -7.648 -8.404 13.322 1.00 0.00 C ATOM 872 OG1 THR A 74 -8.853 -9.074 12.938 1.00 0.00 O ATOM 873 CG2 THR A 74 -6.452 -9.160 12.730 1.00 0.00 C ATOM 874 H THR A 74 -5.887 -7.112 14.469 1.00 9.93 H ATOM 875 HA THR A 74 -8.536 -7.854 15.185 1.00 10.53 H ATOM 876 HB THR A 74 -7.603 -7.407 12.883 1.00 0.00 H ATOM 877 HG1 THR A 74 -8.889 -9.147 11.982 1.00 0.00 H ATOM 878 HG21 THR A 74 -6.549 -9.201 11.645 1.00 0.00 H ATOM 879 HG22 THR A 74 -5.529 -8.645 12.993 1.00 0.00 H ATOM 880 HG23 THR A 74 -6.429 -10.174 13.131 1.00 0.00 H ATOM 881 N PHE A 75 -6.230 -10.041 15.931 1.00 9.03 N ATOM 882 CA PHE A 75 -5.911 -11.282 16.635 1.00 8.83 C ATOM 883 C PHE A 75 -5.639 -11.049 18.133 1.00 9.36 C ATOM 884 O PHE A 75 -5.526 -12.031 18.863 1.00 10.32 O ATOM 885 CB PHE A 75 -4.642 -11.882 15.993 1.00 9.08 C ATOM 886 CG PHE A 75 -4.792 -12.300 14.540 1.00 8.99 C ATOM 887 CD1 PHE A 75 -5.773 -13.243 14.167 1.00 9.98 C ATOM 888 CD2 PHE A 75 -3.941 -11.755 13.555 1.00 11.34 C ATOM 889 CE1 PHE A 75 -5.887 -13.659 12.828 1.00 12.85 C ATOM 890 CE2 PHE A 75 -4.057 -12.167 12.213 1.00 12.32 C ATOM 891 CZ PHE A 75 -5.023 -13.125 11.853 1.00 12.44 C ATOM 892 H PHE A 75 -5.464 -9.413 15.741 1.00 10.84 H ATOM 893 HA PHE A 75 -6.730 -12.000 16.563 1.00 10.59 H ATOM 894 HB2 PHE A 75 -3.823 -11.167 16.070 1.00 10.90 H ATOM 895 HB3 PHE A 75 -4.323 -12.767 16.546 1.00 10.90 H ATOM 896 HD1 PHE A 75 -6.437 -13.660 14.909 1.00 11.97 H ATOM 897 HD2 PHE A 75 -3.188 -11.028 13.823 1.00 13.61 H ATOM 898 HE1 PHE A 75 -6.630 -14.391 12.550 1.00 15.42 H ATOM 899 HE2 PHE A 75 -3.398 -11.755 11.464 1.00 14.78 H ATOM 900 HZ PHE A 75 -5.097 -13.455 10.830 1.00 14.92 H ATOM 901 N GLN A 76 -5.517 -9.786 18.593 1.00 9.36 N ATOM 902 CA GLN A 76 -5.296 -9.377 19.991 1.00 10.14 C ATOM 903 C GLN A 76 -3.955 -9.896 20.539 1.00 10.71 C ATOM 904 O GLN A 76 -3.884 -10.506 21.605 1.00 11.55 O ATOM 905 CB GLN A 76 -6.520 -9.707 20.878 1.00 9.89 C ATOM 906 CG GLN A 76 -7.728 -8.792 20.612 1.00 12.05 C ATOM 907 CD GLN A 76 -7.521 -7.358 21.105 1.00 10.74 C ATOM 908 OE1 GLN A 76 -7.458 -7.113 22.305 1.00 12.83 O ATOM 909 NE2 GLN A 76 -7.432 -6.398 20.187 1.00 10.48 N ATOM 910 H GLN A 76 -5.635 -9.038 17.925 1.00 11.23 H ATOM 911 HA GLN A 76 -5.179 -8.295 19.977 1.00 12.17 H ATOM 912 HB2 GLN A 76 -6.807 -10.742 20.724 1.00 11.87 H ATOM 913 HB3 GLN A 76 -6.277 -9.656 21.937 1.00 11.87 H ATOM 914 HG2 GLN A 76 -8.005 -8.806 19.557 1.00 14.46 H ATOM 915 HG3 GLN A 76 -8.573 -9.194 21.165 1.00 14.46 H ATOM 916 HE21 GLN A 76 -7.469 -6.632 19.202 1.00 12.58 H ATOM 917 HE22 GLN A 76 -7.280 -5.441 20.472 1.00 12.58 H ATOM 918 N ILE A 77 -2.890 -9.663 19.760 1.00 9.27 N ATOM 919 CA ILE A 77 -1.513 -10.067 20.015 1.00 9.59 C ATOM 920 C ILE A 77 -0.919 -9.171 21.119 1.00 10.77 C ATOM 921 O ILE A 77 -0.938 -7.943 21.014 1.00 9.71 O ATOM 922 CB ILE A 77 -0.746 -9.957 18.666 1.00 8.88 C ATOM 923 CG1 ILE A 77 -1.191 -11.086 17.703 1.00 10.69 C ATOM 924 CG2 ILE A 77 0.781 -9.978 18.827 1.00 9.97 C ATOM 925 CD1 ILE A 77 -0.822 -10.858 16.229 1.00 11.50 C ATOM 926 H ILE A 77 -3.050 -9.126 18.919 1.00 11.12 H ATOM 927 HA ILE A 77 -1.500 -11.106 20.352 1.00 11.52 H ATOM 928 HB ILE A 77 -1.009 -9.003 18.209 1.00 10.66 H ATOM 929 HG12 ILE A 77 -0.772 -12.035 18.039 1.00 12.83 H ATOM 930 HG13 ILE A 77 -2.271 -11.212 17.755 1.00 12.83 H ATOM 931 HG21 ILE A 77 1.274 -9.916 17.864 1.00 11.97 H ATOM 932 HG22 ILE A 77 1.150 -9.130 19.404 1.00 11.97 H ATOM 933 HG23 ILE A 77 1.106 -10.898 19.312 1.00 11.97 H ATOM 934 HD11 ILE A 77 -1.236 -11.648 15.603 1.00 13.81 H ATOM 935 HD12 ILE A 77 -1.215 -9.909 15.863 1.00 13.81 H ATOM 936 HD13 ILE A 77 0.256 -10.860 16.072 1.00 13.81 H ATOM 937 N ASN A 78 -0.410 -9.819 22.177 1.00 10.18 N ATOM 938 CA ASN A 78 0.039 -9.209 23.426 1.00 9.75 C ATOM 939 C ASN A 78 1.462 -8.633 23.288 1.00 10.77 C ATOM 940 O ASN A 78 2.353 -9.243 22.697 1.00 11.55 O ATOM 941 CB ASN A 78 0.026 -10.319 24.500 1.00 11.51 C ATOM 942 CG ASN A 78 0.098 -9.761 25.922 1.00 11.65 C ATOM 943 OD1 ASN A 78 1.184 -9.618 26.475 1.00 13.26 O ATOM 944 ND2 ASN A 78 -1.050 -9.441 26.515 1.00 13.26 N ATOM 945 H ASN A 78 -0.437 -10.828 22.159 1.00 12.22 H ATOM 946 HA ASN A 78 -0.664 -8.423 23.701 1.00 11.70 H ATOM 947 HB2 ASN A 78 -0.894 -10.903 24.421 1.00 13.81 H ATOM 948 HB3 ASN A 78 0.843 -11.026 24.347 1.00 13.81 H ATOM 949 HD21 ASN A 78 -1.036 -9.054 27.451 1.00 15.91 H ATOM 950 HD22 ASN A 78 -1.927 -9.536 26.009 1.00 15.91 H ATOM 951 N SER A 79 1.662 -7.448 23.878 1.00 9.38 N ATOM 952 CA SER A 79 2.885 -6.652 23.827 1.00 10.10 C ATOM 953 C SER A 79 3.962 -7.042 24.859 1.00 11.02 C ATOM 954 O SER A 79 4.978 -6.353 24.942 1.00 13.62 O ATOM 955 CB SER A 79 2.459 -5.189 24.037 1.00 9.94 C ATOM 956 OG SER A 79 1.908 -4.960 25.320 1.00 10.82 O ATOM 957 H SER A 79 0.874 -7.015 24.341 1.00 11.25 H ATOM 958 HA SER A 79 3.324 -6.751 22.834 1.00 12.12 H ATOM 959 HB2 SER A 79 3.297 -4.507 23.883 1.00 11.93 H ATOM 960 HB3 SER A 79 1.717 -4.938 23.283 1.00 11.93 H ATOM 961 HG SER A 79 2.618 -4.856 25.941 1.00 12.98 H ATOM 962 N ARG A 80 3.781 -8.133 25.624 1.00 12.57 N ATOM 963 CA ARG A 80 4.796 -8.659 26.541 1.00 13.19 C ATOM 964 C ARG A 80 5.862 -9.500 25.812 1.00 15.61 C ATOM 965 O ARG A 80 6.958 -9.666 26.348 1.00 15.07 O ATOM 966 CB ARG A 80 4.099 -9.521 27.620 1.00 16.00 C ATOM 967 CG ARG A 80 5.058 -10.122 28.666 1.00 16.59 C ATOM 968 CD ARG A 80 4.408 -10.408 30.027 1.00 17.15 C ATOM 969 NE ARG A 80 4.141 -9.166 30.765 1.00 17.96 N ATOM 970 CZ ARG A 80 5.060 -8.327 31.274 1.00 14.63 C ATOM 971 NH1 ARG A 80 6.374 -8.580 31.192 1.00 17.35 N ATOM 972 NH2 ARG A 80 4.666 -7.202 31.879 1.00 17.26 N1+ ATOM 973 H ARG A 80 2.914 -8.646 25.540 1.00 15.09 H ATOM 974 HA ARG A 80 5.303 -7.831 27.038 1.00 15.82 H ATOM 975 HB2 ARG A 80 3.363 -8.893 28.124 1.00 19.20 H ATOM 976 HB3 ARG A 80 3.539 -10.334 27.157 1.00 19.20 H ATOM 977 HG2 ARG A 80 5.492 -11.043 28.277 1.00 19.91 H ATOM 978 HG3 ARG A 80 5.897 -9.442 28.808 1.00 19.91 H ATOM 979 HD2 ARG A 80 3.474 -10.957 29.897 1.00 20.58 H ATOM 980 HD3 ARG A 80 5.062 -11.036 30.633 1.00 20.58 H ATOM 981 HE ARG A 80 3.152 -8.952 30.889 1.00 21.56 H ATOM 982 HH11 ARG A 80 6.703 -9.427 30.752 1.00 20.82 H ATOM 983 HH12 ARG A 80 7.041 -7.906 31.547 1.00 20.82 H ATOM 984 HH21 ARG A 80 3.684 -6.992 32.004 1.00 20.71 H ATOM 985 HH22 ARG A 80 5.356 -6.561 32.246 1.00 20.71 H ATOM 986 N TYR A 81 5.569 -10.017 24.606 1.00 12.51 N ATOM 987 CA TYR A 81 6.467 -10.908 23.873 1.00 12.69 C ATOM 988 C TYR A 81 6.513 -10.648 22.364 1.00 13.05 C ATOM 989 O TYR A 81 7.546 -10.916 21.755 1.00 13.13 O ATOM 990 CB TYR A 81 6.186 -12.380 24.256 1.00 15.27 C ATOM 991 CG TYR A 81 7.273 -13.366 23.857 1.00 18.52 C ATOM 992 CD1 TYR A 81 7.228 -14.008 22.603 1.00 17.75 C ATOM 993 CD2 TYR A 81 8.345 -13.632 24.734 1.00 20.09 C ATOM 994 CE1 TYR A 81 8.254 -14.890 22.215 1.00 20.00 C ATOM 995 CE2 TYR A 81 9.375 -14.513 24.347 1.00 19.28 C ATOM 996 CZ TYR A 81 9.333 -15.136 23.084 1.00 22.52 C ATOM 997 OH TYR A 81 10.338 -15.975 22.699 1.00 24.82 O ATOM 998 H TYR A 81 4.660 -9.826 24.211 1.00 15.01 H ATOM 999 HA TYR A 81 7.481 -10.688 24.200 1.00 15.22 H ATOM 1000 HB2 TYR A 81 6.056 -12.460 25.336 1.00 18.33 H ATOM 1001 HB3 TYR A 81 5.238 -12.701 23.822 1.00 18.33 H ATOM 1002 HD1 TYR A 81 6.412 -13.807 21.929 1.00 21.30 H ATOM 1003 HD2 TYR A 81 8.390 -13.147 25.698 1.00 24.11 H ATOM 1004 HE1 TYR A 81 8.213 -15.372 21.248 1.00 24.00 H ATOM 1005 HE2 TYR A 81 10.198 -14.699 25.020 1.00 23.14 H ATOM 1006 HH TYR A 81 10.992 -16.103 23.368 1.00 29.78 H ATOM 1007 N TRP A 82 5.425 -10.154 21.753 1.00 11.91 N ATOM 1008 CA TRP A 82 5.263 -10.152 20.298 1.00 12.61 C ATOM 1009 C TRP A 82 5.470 -8.773 19.658 1.00 9.16 C ATOM 1010 O TRP A 82 5.970 -8.721 18.538 1.00 10.86 O ATOM 1011 CB TRP A 82 3.855 -10.678 19.976 1.00 10.88 C ATOM 1012 CG TRP A 82 3.554 -12.032 20.550 1.00 10.66 C ATOM 1013 CD1 TRP A 82 2.608 -12.310 21.476 1.00 10.69 C ATOM 1014 CD2 TRP A 82 4.229 -13.298 20.277 1.00 11.32 C ATOM 1015 NE1 TRP A 82 2.675 -13.643 21.822 1.00 11.88 N ATOM 1016 CE2 TRP A 82 3.668 -14.299 21.129 1.00 11.31 C ATOM 1017 CE3 TRP A 82 5.261 -13.707 19.399 1.00 11.09 C ATOM 1018 CZ2 TRP A 82 4.127 -15.627 21.132 1.00 13.41 C ATOM 1019 CZ3 TRP A 82 5.740 -15.032 19.401 1.00 11.48 C ATOM 1020 CH2 TRP A 82 5.174 -15.989 20.268 1.00 13.76 C ATOM 1021 H TRP A 82 4.609 -9.934 22.306 1.00 14.30 H ATOM 1022 HA TRP A 82 5.979 -10.831 19.832 1.00 15.14 H ATOM 1023 HB2 TRP A 82 3.114 -9.971 20.345 1.00 13.05 H ATOM 1024 HB3 TRP A 82 3.712 -10.736 18.897 1.00 13.05 H ATOM 1025 HD1 TRP A 82 1.926 -11.587 21.895 1.00 12.83 H ATOM 1026 HE1 TRP A 82 2.060 -14.060 22.508 1.00 14.26 H ATOM 1027 HE3 TRP A 82 5.692 -12.988 18.718 1.00 13.30 H ATOM 1028 HZ2 TRP A 82 3.678 -16.361 21.784 1.00 16.09 H ATOM 1029 HZ3 TRP A 82 6.534 -15.323 18.730 1.00 13.78 H ATOM 1030 HH2 TRP A 82 5.521 -17.009 20.251 1.00 16.52 H ATOM 1031 N CYS A 83 5.138 -7.671 20.348 1.00 11.60 N ATOM 1032 CA CYS A 83 5.264 -6.302 19.840 1.00 10.46 C ATOM 1033 C CYS A 83 5.784 -5.351 20.921 1.00 10.93 C ATOM 1034 O CYS A 83 5.557 -5.582 22.107 1.00 10.60 O ATOM 1035 CB CYS A 83 3.972 -5.853 19.122 1.00 11.79 C ATOM 1036 SG CYS A 83 2.521 -5.526 20.170 1.00 11.11 S ATOM 1037 H CYS A 83 4.772 -7.778 21.284 1.00 13.93 H ATOM 1038 HA CYS A 83 6.034 -6.300 19.072 1.00 12.56 H ATOM 1039 HB2 CYS A 83 4.175 -4.951 18.543 1.00 14.15 H ATOM 1040 HB3 CYS A 83 3.691 -6.610 18.390 1.00 14.15 H ATOM 1041 N ASN A 84 6.460 -4.267 20.508 1.00 9.95 N ATOM 1042 CA ASN A 84 6.919 -3.198 21.395 1.00 10.15 C ATOM 1043 C ASN A 84 5.911 -2.038 21.335 1.00 9.84 C ATOM 1044 O ASN A 84 5.615 -1.519 20.258 1.00 9.19 O ATOM 1045 CB ASN A 84 8.293 -2.696 20.889 1.00 9.38 C ATOM 1046 CG ASN A 84 8.948 -1.685 21.839 1.00 11.29 C ATOM 1047 OD1 ASN A 84 9.163 -1.980 23.013 1.00 11.33 O ATOM 1048 ND2 ASN A 84 9.224 -0.475 21.350 1.00 10.85 N ATOM 1049 H ASN A 84 6.610 -4.143 19.515 1.00 11.94 H ATOM 1050 HA ASN A 84 7.019 -3.564 22.420 1.00 12.18 H ATOM 1051 HB2 ASN A 84 8.978 -3.539 20.812 1.00 11.26 H ATOM 1052 HB3 ASN A 84 8.213 -2.280 19.883 1.00 11.26 H ATOM 1053 HD21 ASN A 84 9.642 0.220 21.952 1.00 13.02 H ATOM 1054 HD22 ASN A 84 9.020 -0.257 20.386 1.00 13.02 H ATOM 1055 N ASP A 85 5.437 -1.610 22.514 1.00 9.70 N ATOM 1056 CA ASP A 85 4.650 -0.391 22.728 1.00 9.23 C ATOM 1057 C ASP A 85 5.400 0.601 23.641 1.00 10.79 C ATOM 1058 O ASP A 85 4.926 1.721 23.829 1.00 10.38 O ATOM 1059 CB ASP A 85 3.238 -0.739 23.268 1.00 9.37 C ATOM 1060 CG ASP A 85 3.129 -1.485 24.608 1.00 10.80 C ATOM 1061 OD1 ASP A 85 4.171 -1.767 25.243 1.00 10.73 O ATOM 1062 OD2 ASP A 85 1.966 -1.736 24.992 1.00 10.91 O1- ATOM 1063 H ASP A 85 5.681 -2.133 23.344 1.00 11.64 H ATOM 1064 HA ASP A 85 4.512 0.130 21.780 1.00 11.08 H ATOM 1065 HB2 ASP A 85 2.662 0.182 23.364 1.00 11.24 H ATOM 1066 HB3 ASP A 85 2.707 -1.329 22.522 1.00 11.24 H ATOM 1067 N GLY A 86 6.564 0.207 24.190 1.00 9.82 N ATOM 1068 CA GLY A 86 7.433 1.026 25.032 1.00 11.04 C ATOM 1069 C GLY A 86 6.926 1.274 26.461 1.00 12.20 C ATOM 1070 O GLY A 86 7.514 2.099 27.159 1.00 16.67 O ATOM 1071 H GLY A 86 6.888 -0.726 23.981 1.00 11.79 H ATOM 1072 HA2 GLY A 86 8.403 0.532 25.095 1.00 13.25 H ATOM 1073 HA3 GLY A 86 7.606 1.987 24.546 1.00 13.25 H ATOM 1074 N LYS A 87 5.850 0.591 26.891 1.00 12.38 N ATOM 1075 CA LYS A 87 5.150 0.815 28.160 1.00 12.49 C ATOM 1076 C LYS A 87 4.874 -0.467 28.961 1.00 13.12 C ATOM 1077 O LYS A 87 4.453 -0.367 30.114 1.00 13.86 O ATOM 1078 CB LYS A 87 3.893 1.688 27.938 1.00 13.02 C ATOM 1079 CG LYS A 87 2.848 1.044 27.009 1.00 13.21 C ATOM 1080 CD LYS A 87 1.523 1.813 26.935 1.00 13.58 C ATOM 1081 CE LYS A 87 0.527 1.121 25.994 1.00 16.52 C ATOM 1082 NZ LYS A 87 -0.754 1.841 25.926 1.00 18.09 N1+ ATOM 1083 H LYS A 87 5.423 -0.062 26.246 1.00 14.86 H ATOM 1084 HA LYS A 87 5.806 1.390 28.816 1.00 14.98 H ATOM 1085 HB2 LYS A 87 3.431 1.899 28.904 1.00 15.63 H ATOM 1086 HB3 LYS A 87 4.188 2.657 27.534 1.00 15.63 H ATOM 1087 HG2 LYS A 87 3.268 0.972 26.007 1.00 15.85 H ATOM 1088 HG3 LYS A 87 2.640 0.024 27.332 1.00 15.85 H ATOM 1089 HD2 LYS A 87 1.092 1.892 27.934 1.00 16.29 H ATOM 1090 HD3 LYS A 87 1.711 2.832 26.593 1.00 16.29 H ATOM 1091 HE2 LYS A 87 0.946 1.061 24.989 1.00 19.83 H ATOM 1092 HE3 LYS A 87 0.335 0.100 26.325 1.00 19.83 H ATOM 1093 HZ1 LYS A 87 -1.374 1.353 25.294 1.00 21.71 H ATOM 1094 HZ2 LYS A 87 -1.172 1.877 26.844 1.00 21.71 H ATOM 1095 HZ3 LYS A 87 -0.599 2.779 25.586 1.00 21.71 H ATOM 1096 N THR A 88 5.122 -1.655 28.384 1.00 11.76 N ATOM 1097 CA THR A 88 4.980 -2.941 29.070 1.00 12.41 C ATOM 1098 C THR A 88 6.355 -3.263 29.703 1.00 15.64 C ATOM 1099 O THR A 88 7.344 -3.337 28.970 1.00 13.69 O ATOM 1100 CB THR A 88 4.616 -4.033 28.036 1.00 11.28 C ATOM 1101 OG1 THR A 88 3.432 -3.652 27.369 1.00 11.06 O ATOM 1102 CG2 THR A 88 4.320 -5.397 28.689 1.00 12.99 C ATOM 1103 H THR A 88 5.458 -1.672 27.431 1.00 14.11 H ATOM 1104 HA THR A 88 4.173 -2.882 29.800 1.00 14.89 H ATOM 1105 HB THR A 88 5.396 -4.140 27.280 1.00 13.53 H ATOM 1106 HG1 THR A 88 3.615 -2.895 26.823 1.00 13.27 H ATOM 1107 HG21 THR A 88 3.973 -6.118 27.950 1.00 15.59 H ATOM 1108 HG22 THR A 88 5.198 -5.820 29.176 1.00 15.59 H ATOM 1109 HG23 THR A 88 3.545 -5.309 29.451 1.00 15.59 H ATOM 1110 N PRO A 89 6.452 -3.435 31.042 1.00 15.61 N ATOM 1111 CA PRO A 89 7.733 -3.597 31.744 1.00 15.27 C ATOM 1112 C PRO A 89 8.292 -5.023 31.598 1.00 16.56 C ATOM 1113 O PRO A 89 7.579 -6.000 31.830 1.00 18.85 O ATOM 1114 CB PRO A 89 7.401 -3.285 33.211 1.00 18.75 C ATOM 1115 CG PRO A 89 5.938 -3.670 33.367 1.00 19.79 C ATOM 1116 CD PRO A 89 5.334 -3.404 31.988 1.00 16.10 C ATOM 1117 HA PRO A 89 8.464 -2.874 31.375 1.00 18.32 H ATOM 1118 HB2 PRO A 89 8.046 -3.797 33.927 1.00 22.51 H ATOM 1119 HB3 PRO A 89 7.513 -2.214 33.386 1.00 22.51 H ATOM 1120 HG2 PRO A 89 5.859 -4.732 33.605 1.00 23.76 H ATOM 1121 HG3 PRO A 89 5.438 -3.117 34.162 1.00 23.76 H ATOM 1122 HD2 PRO A 89 4.578 -4.149 31.739 1.00 19.33 H ATOM 1123 HD3 PRO A 89 4.869 -2.418 31.971 1.00 19.33 H ATOM 1124 N GLY A 90 9.575 -5.128 31.214 1.00 18.12 N ATOM 1125 CA GLY A 90 10.292 -6.389 31.016 1.00 20.13 C ATOM 1126 C GLY A 90 9.925 -7.139 29.726 1.00 17.86 C ATOM 1127 O GLY A 90 10.218 -8.328 29.617 1.00 21.94 O ATOM 1128 H GLY A 90 10.091 -4.278 31.043 1.00 21.75 H ATOM 1129 HA2 GLY A 90 11.360 -6.175 30.994 1.00 24.16 H ATOM 1130 HA3 GLY A 90 10.125 -7.045 31.872 1.00 24.16 H ATOM 1131 N ALA A 91 9.265 -6.461 28.772 1.00 18.22 N ATOM 1132 CA ALA A 91 8.748 -7.030 27.532 1.00 13.72 C ATOM 1133 C ALA A 91 9.833 -7.210 26.461 1.00 12.70 C ATOM 1134 O ALA A 91 10.891 -6.581 26.512 1.00 18.93 O ATOM 1135 CB ALA A 91 7.711 -6.051 26.969 1.00 18.41 C ATOM 1136 H ALA A 91 9.072 -5.484 28.938 1.00 21.86 H ATOM 1137 HA ALA A 91 8.277 -7.989 27.749 1.00 16.47 H ATOM 1138 HB1 ALA A 91 7.299 -6.408 26.025 1.00 22.10 H ATOM 1139 HB2 ALA A 91 6.882 -5.938 27.662 1.00 22.10 H ATOM 1140 HB3 ALA A 91 8.135 -5.061 26.791 1.00 22.10 H ATOM 1141 N VAL A 92 9.518 -8.050 25.462 1.00 13.64 N ATOM 1142 CA VAL A 92 10.301 -8.291 24.250 1.00 12.90 C ATOM 1143 C VAL A 92 9.404 -8.159 23.005 1.00 16.52 C ATOM 1144 O VAL A 92 8.203 -7.901 23.110 1.00 15.47 O ATOM 1145 CB VAL A 92 11.132 -9.603 24.349 1.00 16.29 C ATOM 1146 CG1 VAL A 92 12.143 -9.577 25.508 1.00 18.13 C ATOM 1147 CG2 VAL A 92 10.275 -10.877 24.411 1.00 17.83 C ATOM 1148 H VAL A 92 8.619 -8.512 25.510 1.00 16.37 H ATOM 1149 HA VAL A 92 11.017 -7.474 24.144 1.00 15.48 H ATOM 1150 HB VAL A 92 11.728 -9.677 23.438 1.00 19.55 H ATOM 1151 HG11 VAL A 92 12.802 -10.444 25.472 1.00 21.76 H ATOM 1152 HG12 VAL A 92 12.771 -8.687 25.464 1.00 21.76 H ATOM 1153 HG13 VAL A 92 11.645 -9.586 26.478 1.00 21.76 H ATOM 1154 HG21 VAL A 92 10.902 -11.765 24.484 1.00 21.40 H ATOM 1155 HG22 VAL A 92 9.613 -10.870 25.277 1.00 21.40 H ATOM 1156 HG23 VAL A 92 9.667 -10.992 23.515 1.00 21.40 H ATOM 1157 N ASN A 93 10.021 -8.288 21.822 1.00 13.21 N ATOM 1158 CA ASN A 93 9.444 -7.980 20.517 1.00 13.69 C ATOM 1159 C ASN A 93 9.913 -9.041 19.512 1.00 13.08 C ATOM 1160 O ASN A 93 10.854 -8.816 18.750 1.00 13.49 O ATOM 1161 CB ASN A 93 9.806 -6.513 20.179 1.00 11.38 C ATOM 1162 CG ASN A 93 9.218 -5.981 18.871 1.00 13.32 C ATOM 1163 OD1 ASN A 93 8.339 -6.592 18.271 1.00 11.66 O ATOM 1164 ND2 ASN A 93 9.734 -4.843 18.404 1.00 13.35 N ATOM 1165 H ASN A 93 11.002 -8.524 21.829 1.00 15.85 H ATOM 1166 HA ASN A 93 8.356 -8.058 20.575 1.00 16.43 H ATOM 1167 HB2 ASN A 93 9.451 -5.863 20.980 1.00 13.66 H ATOM 1168 HB3 ASN A 93 10.891 -6.397 20.148 1.00 13.66 H ATOM 1169 HD21 ASN A 93 9.366 -4.448 17.550 1.00 16.02 H ATOM 1170 HD22 ASN A 93 10.472 -4.374 18.908 1.00 16.02 H ATOM 1171 N ALA A 94 9.247 -10.206 19.529 1.00 13.40 N ATOM 1172 CA ALA A 94 9.570 -11.384 18.728 1.00 12.41 C ATOM 1173 C ALA A 94 9.128 -11.270 17.258 1.00 14.61 C ATOM 1174 O ALA A 94 9.733 -11.926 16.410 1.00 14.88 O ATOM 1175 CB ALA A 94 8.855 -12.589 19.357 1.00 14.56 C ATOM 1176 H ALA A 94 8.507 -10.312 20.212 1.00 16.08 H ATOM 1177 HA ALA A 94 10.647 -11.554 18.756 1.00 14.90 H ATOM 1178 HB1 ALA A 94 9.009 -13.501 18.781 1.00 17.47 H ATOM 1179 HB2 ALA A 94 9.225 -12.776 20.365 1.00 17.47 H ATOM 1180 HB3 ALA A 94 7.782 -12.422 19.429 1.00 17.47 H ATOM 1181 N CYS A 95 8.119 -10.435 16.942 1.00 11.48 N ATOM 1182 CA CYS A 95 7.690 -10.150 15.566 1.00 11.35 C ATOM 1183 C CYS A 95 8.467 -8.976 14.952 1.00 10.77 C ATOM 1184 O CYS A 95 8.323 -8.746 13.753 1.00 12.23 O ATOM 1185 CB CYS A 95 6.203 -9.749 15.549 1.00 11.14 C ATOM 1186 SG CYS A 95 5.069 -10.990 16.217 1.00 10.97 S ATOM 1187 H CYS A 95 7.654 -9.932 17.685 1.00 13.77 H ATOM 1188 HA CYS A 95 7.830 -11.023 14.927 1.00 13.62 H ATOM 1189 HB2 CYS A 95 6.043 -8.804 16.065 1.00 13.37 H ATOM 1190 HB3 CYS A 95 5.889 -9.575 14.519 1.00 13.37 H ATOM 1191 N HIS A 96 9.250 -8.232 15.759 1.00 12.43 N ATOM 1192 CA HIS A 96 10.117 -7.098 15.407 1.00 12.76 C ATOM 1193 C HIS A 96 9.343 -5.902 14.809 1.00 11.82 C ATOM 1194 O HIS A 96 9.839 -5.211 13.919 1.00 13.01 O ATOM 1195 CB HIS A 96 11.402 -7.524 14.646 1.00 16.04 C ATOM 1196 CG HIS A 96 11.259 -8.306 13.363 1.00 16.64 C ATOM 1197 ND1 HIS A 96 10.788 -7.753 12.186 1.00 16.32 N ATOM 1198 CD2 HIS A 96 11.510 -9.631 13.076 1.00 16.64 C ATOM 1199 CE1 HIS A 96 10.758 -8.731 11.276 1.00 17.18 C ATOM 1200 NE2 HIS A 96 11.187 -9.897 11.744 1.00 18.09 N ATOM 1201 H HIS A 96 9.273 -8.503 16.732 1.00 14.91 H ATOM 1202 HA HIS A 96 10.474 -6.721 16.364 1.00 15.32 H ATOM 1203 HB2 HIS A 96 12.020 -6.650 14.438 1.00 19.25 H ATOM 1204 HB3 HIS A 96 11.999 -8.140 15.320 1.00 19.25 H ATOM 1205 HD2 HIS A 96 11.881 -10.410 13.726 1.00 19.97 H ATOM 1206 HE1 HIS A 96 10.418 -8.588 10.261 1.00 20.62 H ATOM 1207 HD1 HIS A 96 10.488 -6.797 12.054 1.00 0.00 H ATOM 1208 N LEU A 97 8.116 -5.681 15.311 1.00 11.70 N ATOM 1209 CA LEU A 97 7.189 -4.616 14.937 1.00 10.81 C ATOM 1210 C LEU A 97 6.895 -3.712 16.142 1.00 10.76 C ATOM 1211 O LEU A 97 6.923 -4.153 17.292 1.00 10.31 O ATOM 1212 CB LEU A 97 5.847 -5.245 14.498 1.00 13.73 C ATOM 1213 CG LEU A 97 5.882 -6.064 13.193 1.00 14.82 C ATOM 1214 CD1 LEU A 97 4.589 -6.877 13.059 1.00 14.61 C ATOM 1215 CD2 LEU A 97 6.095 -5.184 11.952 1.00 14.89 C ATOM 1216 H LEU A 97 7.811 -6.292 16.057 1.00 14.04 H ATOM 1217 HA LEU A 97 7.600 -4.000 14.136 1.00 12.98 H ATOM 1218 HB2 LEU A 97 5.484 -5.883 15.307 1.00 16.48 H ATOM 1219 HB3 LEU A 97 5.090 -4.468 14.382 1.00 16.48 H ATOM 1220 HG LEU A 97 6.704 -6.774 13.247 1.00 17.78 H ATOM 1221 HD11 LEU A 97 4.618 -7.524 12.182 1.00 17.54 H ATOM 1222 HD12 LEU A 97 4.445 -7.508 13.935 1.00 17.54 H ATOM 1223 HD13 LEU A 97 3.716 -6.230 12.974 1.00 17.54 H ATOM 1224 HD21 LEU A 97 6.085 -5.785 11.041 1.00 17.87 H ATOM 1225 HD22 LEU A 97 5.310 -4.432 11.857 1.00 17.87 H ATOM 1226 HD23 LEU A 97 7.053 -4.667 11.986 1.00 17.87 H ATOM 1227 N SER A 98 6.488 -2.467 15.855 1.00 9.75 N ATOM 1228 CA SER A 98 5.729 -1.631 16.782 1.00 8.88 C ATOM 1229 C SER A 98 4.290 -2.177 16.850 1.00 9.73 C ATOM 1230 O SER A 98 3.757 -2.636 15.838 1.00 9.81 O ATOM 1231 CB SER A 98 5.715 -0.185 16.240 1.00 9.22 C ATOM 1232 OG SER A 98 4.980 0.690 17.077 1.00 10.73 O ATOM 1233 H SER A 98 6.489 -2.183 14.886 1.00 11.70 H ATOM 1234 HA SER A 98 6.197 -1.655 17.766 1.00 10.66 H ATOM 1235 HB2 SER A 98 6.734 0.196 16.154 1.00 11.06 H ATOM 1236 HB3 SER A 98 5.279 -0.150 15.240 1.00 11.06 H ATOM 1237 HG SER A 98 5.424 0.756 17.910 1.00 12.88 H ATOM 1238 N CYS A 99 3.647 -2.108 18.026 1.00 9.95 N ATOM 1239 CA CYS A 99 2.262 -2.549 18.229 1.00 9.99 C ATOM 1240 C CYS A 99 1.218 -1.711 17.455 1.00 10.66 C ATOM 1241 O CYS A 99 0.080 -2.151 17.304 1.00 9.93 O ATOM 1242 CB CYS A 99 1.922 -2.504 19.724 1.00 11.41 C ATOM 1243 SG CYS A 99 2.819 -3.622 20.836 1.00 10.48 S ATOM 1244 H CYS A 99 4.144 -1.743 18.829 1.00 11.94 H ATOM 1245 HA CYS A 99 2.172 -3.577 17.877 1.00 11.99 H ATOM 1246 HB2 CYS A 99 2.051 -1.490 20.105 1.00 13.69 H ATOM 1247 HB3 CYS A 99 0.871 -2.737 19.844 1.00 13.69 H ATOM 1248 N SER A 100 1.617 -0.539 16.926 1.00 10.50 N ATOM 1249 CA SER A 100 0.834 0.323 16.041 1.00 10.17 C ATOM 1250 C SER A 100 0.696 -0.264 14.617 1.00 10.06 C ATOM 1251 O SER A 100 -0.243 0.097 13.908 1.00 9.66 O ATOM 1252 CB SER A 100 1.550 1.690 15.977 1.00 12.00 C ATOM 1253 OG SER A 100 0.818 2.647 15.235 0.81 10.66 O ATOM 1254 H SER A 100 2.571 -0.255 17.101 1.00 12.61 H ATOM 1255 HA SER A 100 -0.163 0.452 16.465 1.00 12.21 H ATOM 1256 HB2 SER A 100 1.694 2.086 16.983 1.00 14.40 H ATOM 1257 HB3 SER A 100 2.542 1.588 15.534 1.00 14.40 H ATOM 1258 HG SER A 100 0.693 2.320 14.356 0.53 12.79 H ATOM 1259 N ALA A 101 1.589 -1.188 14.212 1.00 9.31 N ATOM 1260 CA ALA A 101 1.538 -1.900 12.932 1.00 8.37 C ATOM 1261 C ALA A 101 0.454 -2.996 12.915 1.00 9.03 C ATOM 1262 O ALA A 101 0.029 -3.414 11.839 1.00 9.60 O ATOM 1263 CB ALA A 101 2.897 -2.573 12.681 1.00 9.66 C ATOM 1264 H ALA A 101 2.328 -1.451 14.851 1.00 11.18 H ATOM 1265 HA ALA A 101 1.340 -1.182 12.136 1.00 10.05 H ATOM 1266 HB1 ALA A 101 2.937 -3.020 11.687 1.00 11.59 H ATOM 1267 HB2 ALA A 101 3.713 -1.851 12.744 1.00 11.59 H ATOM 1268 HB3 ALA A 101 3.098 -3.366 13.402 1.00 11.59 H ATOM 1269 N LEU A 102 -0.015 -3.427 14.097 1.00 9.36 N ATOM 1270 CA LEU A 102 -1.107 -4.381 14.278 1.00 8.52 C ATOM 1271 C LEU A 102 -2.482 -3.677 14.263 1.00 9.70 C ATOM 1272 O LEU A 102 -3.499 -4.361 14.161 1.00 10.03 O ATOM 1273 CB LEU A 102 -0.937 -5.067 15.654 1.00 9.25 C ATOM 1274 CG LEU A 102 0.435 -5.742 15.900 1.00 10.45 C ATOM 1275 CD1 LEU A 102 0.523 -6.255 17.340 1.00 12.10 C ATOM 1276 CD2 LEU A 102 0.722 -6.882 14.913 1.00 13.25 C ATOM 1277 H LEU A 102 0.385 -3.031 14.936 1.00 11.23 H ATOM 1278 HA LEU A 102 -1.091 -5.130 13.484 1.00 10.22 H ATOM 1279 HB2 LEU A 102 -1.102 -4.330 16.439 1.00 11.10 H ATOM 1280 HB3 LEU A 102 -1.723 -5.813 15.786 1.00 11.10 H ATOM 1281 HG LEU A 102 1.224 -4.999 15.784 1.00 12.54 H ATOM 1282 HD11 LEU A 102 1.455 -6.791 17.516 1.00 14.53 H ATOM 1283 HD12 LEU A 102 0.482 -5.424 18.043 1.00 14.53 H ATOM 1284 HD13 LEU A 102 -0.299 -6.930 17.574 1.00 14.53 H ATOM 1285 HD21 LEU A 102 1.690 -7.342 15.115 1.00 15.91 H ATOM 1286 HD22 LEU A 102 -0.036 -7.662 14.988 1.00 15.91 H ATOM 1287 HD23 LEU A 102 0.749 -6.523 13.884 1.00 15.91 H ATOM 1288 N LEU A 103 -2.516 -2.332 14.342 1.00 7.98 N ATOM 1289 CA LEU A 103 -3.728 -1.506 14.362 1.00 9.82 C ATOM 1290 C LEU A 103 -4.083 -0.907 12.987 1.00 8.80 C ATOM 1291 O LEU A 103 -5.005 -0.095 12.897 1.00 8.91 O ATOM 1292 CB LEU A 103 -3.553 -0.366 15.393 1.00 9.08 C ATOM 1293 CG LEU A 103 -3.353 -0.829 16.853 1.00 9.07 C ATOM 1294 CD1 LEU A 103 -3.197 0.395 17.770 1.00 8.77 C ATOM 1295 CD2 LEU A 103 -4.495 -1.738 17.342 1.00 10.05 C ATOM 1296 H LEU A 103 -1.635 -1.842 14.403 1.00 9.58 H ATOM 1297 HA LEU A 103 -4.582 -2.111 14.644 1.00 11.79 H ATOM 1298 HB2 LEU A 103 -2.711 0.262 15.099 1.00 10.90 H ATOM 1299 HB3 LEU A 103 -4.429 0.283 15.371 1.00 10.90 H ATOM 1300 HG LEU A 103 -2.428 -1.402 16.911 1.00 10.88 H ATOM 1301 HD11 LEU A 103 -3.011 0.107 18.803 1.00 10.52 H ATOM 1302 HD12 LEU A 103 -2.363 1.021 17.453 1.00 10.52 H ATOM 1303 HD13 LEU A 103 -4.096 1.012 17.760 1.00 10.52 H ATOM 1304 HD21 LEU A 103 -4.353 -2.041 18.375 1.00 12.06 H ATOM 1305 HD22 LEU A 103 -5.457 -1.232 17.278 1.00 12.06 H ATOM 1306 HD23 LEU A 103 -4.559 -2.660 16.768 1.00 12.06 H ATOM 1307 N GLN A 104 -3.398 -1.332 11.913 1.00 8.46 N ATOM 1308 CA GLN A 104 -3.664 -0.936 10.530 1.00 10.12 C ATOM 1309 C GLN A 104 -4.859 -1.723 9.963 1.00 8.88 C ATOM 1310 O GLN A 104 -5.080 -2.878 10.332 1.00 9.94 O ATOM 1311 CB GLN A 104 -2.439 -1.308 9.672 1.00 8.54 C ATOM 1312 CG GLN A 104 -1.160 -0.532 10.019 1.00 11.27 C ATOM 1313 CD GLN A 104 -0.036 -0.892 9.048 1.00 11.19 C ATOM 1314 OE1 GLN A 104 0.023 -0.369 7.938 1.00 12.06 O ATOM 1315 NE2 GLN A 104 0.857 -1.789 9.467 1.00 11.25 N ATOM 1316 H GLN A 104 -2.671 -2.017 12.060 1.00 10.15 H ATOM 1317 HA GLN A 104 -3.858 0.137 10.471 1.00 12.14 H ATOM 1318 HB2 GLN A 104 -2.235 -2.375 9.776 1.00 10.25 H ATOM 1319 HB3 GLN A 104 -2.672 -1.145 8.617 1.00 10.25 H ATOM 1320 HG2 GLN A 104 -1.344 0.541 9.955 1.00 13.52 H ATOM 1321 HG3 GLN A 104 -0.849 -0.733 11.045 1.00 13.52 H ATOM 1322 HE21 GLN A 104 0.736 -2.234 10.366 1.00 13.50 H ATOM 1323 HE22 GLN A 104 1.618 -2.086 8.867 1.00 13.50 H ATOM 1324 N ASP A 105 -5.593 -1.110 9.018 1.00 10.21 N ATOM 1325 CA ASP A 105 -6.672 -1.747 8.249 1.00 10.20 C ATOM 1326 C ASP A 105 -6.146 -2.817 7.275 1.00 9.69 C ATOM 1327 O ASP A 105 -6.851 -3.790 7.005 1.00 9.99 O ATOM 1328 CB ASP A 105 -7.462 -0.689 7.438 1.00 9.02 C ATOM 1329 CG ASP A 105 -8.255 0.330 8.265 1.00 11.89 C ATOM 1330 OD1 ASP A 105 -8.237 0.239 9.512 1.00 10.87 O ATOM 1331 OD2 ASP A 105 -8.916 1.172 7.621 1.00 11.92 O1- ATOM 1332 H ASP A 105 -5.369 -0.153 8.786 1.00 12.25 H ATOM 1333 HA ASP A 105 -7.344 -2.246 8.947 1.00 12.24 H ATOM 1334 HB2 ASP A 105 -6.781 -0.137 6.788 1.00 10.83 H ATOM 1335 HB3 ASP A 105 -8.173 -1.184 6.777 1.00 10.83 H ATOM 1336 N ASN A 106 -4.897 -2.661 6.802 1.00 9.57 N ATOM 1337 CA ASN A 106 -4.135 -3.671 6.076 1.00 10.31 C ATOM 1338 C ASN A 106 -3.478 -4.564 7.143 1.00 10.00 C ATOM 1339 O ASN A 106 -2.625 -4.109 7.906 1.00 9.83 O ATOM 1340 CB ASN A 106 -3.050 -2.945 5.245 1.00 12.45 C ATOM 1341 CG ASN A 106 -2.368 -3.868 4.229 1.00 12.78 C ATOM 1342 OD1 ASN A 106 -1.597 -4.746 4.606 1.00 13.71 O ATOM 1343 ND2 ASN A 106 -2.658 -3.687 2.940 1.00 17.56 N ATOM 1344 H ASN A 106 -4.392 -1.835 7.088 1.00 11.48 H ATOM 1345 HA ASN A 106 -4.794 -4.249 5.424 1.00 12.37 H ATOM 1346 HB2 ASN A 106 -3.506 -2.114 4.703 1.00 14.94 H ATOM 1347 HB3 ASN A 106 -2.287 -2.493 5.882 1.00 14.94 H ATOM 1348 HD21 ASN A 106 -3.294 -2.954 2.660 1.00 21.08 H ATOM 1349 HD22 ASN A 106 -2.225 -4.279 2.246 1.00 21.08 H ATOM 1350 N ILE A 107 -3.901 -5.834 7.196 1.00 8.62 N ATOM 1351 CA ILE A 107 -3.520 -6.792 8.234 1.00 9.62 C ATOM 1352 C ILE A 107 -2.288 -7.634 7.842 1.00 8.55 C ATOM 1353 O ILE A 107 -2.068 -8.672 8.456 1.00 10.02 O ATOM 1354 CB ILE A 107 -4.747 -7.697 8.566 1.00 10.36 C ATOM 1355 CG1 ILE A 107 -5.246 -8.568 7.384 1.00 9.43 C ATOM 1356 CG2 ILE A 107 -5.885 -6.854 9.173 1.00 10.57 C ATOM 1357 CD1 ILE A 107 -6.237 -9.660 7.810 1.00 12.80 C ATOM 1358 H ILE A 107 -4.598 -6.134 6.531 1.00 10.35 H ATOM 1359 HA ILE A 107 -3.246 -6.256 9.145 1.00 11.54 H ATOM 1360 HB ILE A 107 -4.438 -8.382 9.357 1.00 12.44 H ATOM 1361 HG12 ILE A 107 -5.702 -7.940 6.618 1.00 11.31 H ATOM 1362 HG13 ILE A 107 -4.405 -9.066 6.904 1.00 11.31 H ATOM 1363 HG21 ILE A 107 -6.690 -7.477 9.561 1.00 12.68 H ATOM 1364 HG22 ILE A 107 -5.524 -6.247 10.004 1.00 12.68 H ATOM 1365 HG23 ILE A 107 -6.317 -6.177 8.436 1.00 12.68 H ATOM 1366 HD11 ILE A 107 -6.481 -10.319 6.978 1.00 15.36 H ATOM 1367 HD12 ILE A 107 -5.823 -10.279 8.607 1.00 15.36 H ATOM 1368 HD13 ILE A 107 -7.170 -9.229 8.168 1.00 15.36 H ATOM 1369 N ALA A 108 -1.470 -7.213 6.860 1.00 9.51 N ATOM 1370 CA ALA A 108 -0.279 -7.939 6.399 1.00 9.45 C ATOM 1371 C ALA A 108 0.806 -8.105 7.479 1.00 8.41 C ATOM 1372 O ALA A 108 1.400 -9.179 7.570 1.00 8.70 O ATOM 1373 CB ALA A 108 0.314 -7.226 5.175 1.00 10.19 C ATOM 1374 H ALA A 108 -1.688 -6.342 6.394 1.00 11.41 H ATOM 1375 HA ALA A 108 -0.595 -8.936 6.090 1.00 11.35 H ATOM 1376 HB1 ALA A 108 1.194 -7.751 4.800 1.00 12.24 H ATOM 1377 HB2 ALA A 108 -0.409 -7.186 4.360 1.00 12.24 H ATOM 1378 HB3 ALA A 108 0.613 -6.204 5.410 1.00 12.24 H ATOM 1379 N ASP A 109 1.023 -7.079 8.323 1.00 9.78 N ATOM 1380 CA ASP A 109 1.956 -7.112 9.457 1.00 10.20 C ATOM 1381 C ASP A 109 1.353 -7.821 10.684 1.00 8.65 C ATOM 1382 O ASP A 109 2.103 -8.402 11.468 1.00 9.23 O ATOM 1383 CB ASP A 109 2.338 -5.669 9.872 1.00 9.57 C ATOM 1384 CG ASP A 109 3.097 -4.876 8.800 1.00 15.18 C ATOM 1385 OD1 ASP A 109 3.774 -5.514 7.965 1.00 16.63 O ATOM 1386 OD2 ASP A 109 3.008 -3.630 8.853 1.00 15.92 O1- ATOM 1387 H ASP A 109 0.506 -6.224 8.175 1.00 11.73 H ATOM 1388 HA ASP A 109 2.859 -7.652 9.168 1.00 12.24 H ATOM 1389 HB2 ASP A 109 1.442 -5.110 10.146 1.00 11.48 H ATOM 1390 HB3 ASP A 109 2.971 -5.687 10.759 1.00 11.48 H ATOM 1391 N ALA A 110 0.016 -7.827 10.829 1.00 9.24 N ATOM 1392 CA ALA A 110 -0.700 -8.563 11.873 1.00 9.17 C ATOM 1393 C ALA A 110 -0.742 -10.071 11.579 1.00 9.17 C ATOM 1394 O ALA A 110 -0.675 -10.870 12.510 1.00 9.72 O ATOM 1395 CB ALA A 110 -2.139 -8.029 11.967 1.00 10.40 C ATOM 1396 H ALA A 110 -0.539 -7.341 10.140 1.00 11.08 H ATOM 1397 HA ALA A 110 -0.200 -8.417 12.828 1.00 11.00 H ATOM 1398 HB1 ALA A 110 -2.693 -8.526 12.764 1.00 12.49 H ATOM 1399 HB2 ALA A 110 -2.146 -6.961 12.186 1.00 12.49 H ATOM 1400 HB3 ALA A 110 -2.691 -8.178 11.039 1.00 12.49 H ATOM 1401 N VAL A 111 -0.799 -10.451 10.292 1.00 8.70 N ATOM 1402 CA VAL A 111 -0.717 -11.819 9.787 1.00 8.89 C ATOM 1403 C VAL A 111 0.732 -12.334 9.831 1.00 9.74 C ATOM 1404 O VAL A 111 0.929 -13.498 10.168 1.00 9.50 O ATOM 1405 CB VAL A 111 -1.305 -11.855 8.347 1.00 8.70 C ATOM 1406 CG1 VAL A 111 -0.885 -13.079 7.513 1.00 11.78 C ATOM 1407 CG2 VAL A 111 -2.841 -11.778 8.402 1.00 10.83 C ATOM 1408 H VAL A 111 -0.892 -9.721 9.597 1.00 10.44 H ATOM 1409 HA VAL A 111 -1.316 -12.469 10.426 1.00 10.67 H ATOM 1410 HB VAL A 111 -0.949 -10.980 7.801 1.00 10.44 H ATOM 1411 HG11 VAL A 111 -1.547 -13.228 6.663 1.00 14.14 H ATOM 1412 HG12 VAL A 111 0.130 -12.977 7.128 1.00 14.14 H ATOM 1413 HG13 VAL A 111 -0.920 -13.985 8.110 1.00 14.14 H ATOM 1414 HG21 VAL A 111 -3.270 -11.690 7.405 1.00 13.00 H ATOM 1415 HG22 VAL A 111 -3.262 -12.670 8.862 1.00 13.00 H ATOM 1416 HG23 VAL A 111 -3.192 -10.924 8.982 1.00 13.00 H ATOM 1417 N ALA A 112 1.739 -11.488 9.550 1.00 9.00 N ATOM 1418 CA ALA A 112 3.160 -11.841 9.635 1.00 10.85 C ATOM 1419 C ALA A 112 3.617 -12.085 11.085 1.00 9.56 C ATOM 1420 O ALA A 112 4.494 -12.918 11.316 1.00 9.49 O ATOM 1421 CB ALA A 112 3.995 -10.702 9.032 1.00 10.85 C ATOM 1422 H ALA A 112 1.512 -10.548 9.256 1.00 10.81 H ATOM 1423 HA ALA A 112 3.331 -12.751 9.057 1.00 13.02 H ATOM 1424 HB1 ALA A 112 5.060 -10.936 9.057 1.00 13.03 H ATOM 1425 HB2 ALA A 112 3.728 -10.529 7.989 1.00 13.03 H ATOM 1426 HB3 ALA A 112 3.850 -9.767 9.573 1.00 13.03 H ATOM 1427 N CYS A 113 2.988 -11.397 12.053 1.00 9.07 N ATOM 1428 CA CYS A 113 3.218 -11.571 13.482 1.00 9.79 C ATOM 1429 C CYS A 113 2.367 -12.714 14.060 1.00 9.18 C ATOM 1430 O CYS A 113 2.820 -13.374 14.990 1.00 9.46 O ATOM 1431 CB CYS A 113 2.869 -10.250 14.189 1.00 9.93 C ATOM 1432 SG CYS A 113 3.231 -10.142 15.967 1.00 10.00 S ATOM 1433 H CYS A 113 2.293 -10.717 11.775 1.00 10.88 H ATOM 1434 HA CYS A 113 4.274 -11.794 13.639 1.00 11.75 H ATOM 1435 HB2 CYS A 113 3.429 -9.452 13.707 1.00 11.92 H ATOM 1436 HB3 CYS A 113 1.816 -10.003 14.045 1.00 11.92 H ATOM 1437 N ALA A 114 1.187 -13.011 13.489 1.00 9.17 N ATOM 1438 CA ALA A 114 0.379 -14.179 13.852 1.00 8.24 C ATOM 1439 C ALA A 114 1.007 -15.486 13.335 1.00 8.32 C ATOM 1440 O ALA A 114 0.865 -16.520 13.983 1.00 9.53 O ATOM 1441 CB ALA A 114 -1.024 -14.029 13.253 1.00 9.48 C ATOM 1442 H ALA A 114 0.845 -12.424 12.741 1.00 11.00 H ATOM 1443 HA ALA A 114 0.296 -14.230 14.939 1.00 9.89 H ATOM 1444 HB1 ALA A 114 -1.658 -14.878 13.505 1.00 11.38 H ATOM 1445 HB2 ALA A 114 -1.515 -13.139 13.644 1.00 11.38 H ATOM 1446 HB3 ALA A 114 -0.993 -13.946 12.168 1.00 11.38 H ATOM 1447 N LYS A 115 1.758 -15.427 12.221 1.00 8.30 N ATOM 1448 CA LYS A 115 2.594 -16.512 11.712 1.00 10.02 C ATOM 1449 C LYS A 115 3.820 -16.746 12.613 1.00 10.24 C ATOM 1450 O LYS A 115 4.189 -17.898 12.821 1.00 11.29 O ATOM 1451 CB LYS A 115 3.070 -16.177 10.285 1.00 10.22 C ATOM 1452 CG LYS A 115 1.998 -16.434 9.215 1.00 9.36 C ATOM 1453 CD LYS A 115 2.502 -16.111 7.804 1.00 11.87 C ATOM 1454 CE LYS A 115 1.443 -16.372 6.727 1.00 10.41 C ATOM 1455 NZ LYS A 115 1.995 -16.132 5.385 1.00 11.02 N1+ ATOM 1456 H LYS A 115 1.792 -14.549 11.721 1.00 9.96 H ATOM 1457 HA LYS A 115 2.007 -17.431 11.682 1.00 12.03 H ATOM 1458 HB2 LYS A 115 3.410 -15.143 10.232 1.00 12.27 H ATOM 1459 HB3 LYS A 115 3.937 -16.790 10.033 1.00 12.27 H ATOM 1460 HG2 LYS A 115 1.681 -17.474 9.254 1.00 11.24 H ATOM 1461 HG3 LYS A 115 1.105 -15.852 9.428 1.00 11.24 H ATOM 1462 HD2 LYS A 115 2.816 -15.067 7.762 1.00 14.25 H ATOM 1463 HD3 LYS A 115 3.389 -16.712 7.596 1.00 14.25 H ATOM 1464 HE2 LYS A 115 1.082 -17.399 6.780 1.00 12.50 H ATOM 1465 HE3 LYS A 115 0.581 -15.721 6.876 1.00 12.50 H ATOM 1466 HZ1 LYS A 115 1.254 -16.219 4.701 1.00 13.22 H ATOM 1467 HZ2 LYS A 115 2.370 -15.196 5.336 1.00 13.22 H ATOM 1468 HZ3 LYS A 115 2.724 -16.802 5.186 1.00 13.22 H ATOM 1469 N ARG A 116 4.416 -15.678 13.179 1.00 9.48 N ATOM 1470 CA ARG A 116 5.521 -15.747 14.142 1.00 9.67 C ATOM 1471 C ARG A 116 5.101 -16.398 15.471 1.00 9.63 C ATOM 1472 O ARG A 116 5.879 -17.177 16.020 1.00 10.22 O ATOM 1473 CB ARG A 116 6.096 -14.327 14.375 1.00 9.57 C ATOM 1474 CG ARG A 116 7.166 -14.190 15.481 1.00 11.48 C ATOM 1475 CD ARG A 116 8.474 -14.937 15.187 1.00 13.07 C ATOM 1476 NE ARG A 116 9.333 -15.000 16.378 1.00 13.10 N ATOM 1477 CZ ARG A 116 9.364 -16.002 17.277 1.00 14.69 C ATOM 1478 NH1 ARG A 116 8.535 -17.048 17.183 1.00 14.97 N ATOM 1479 NH2 ARG A 116 10.230 -15.960 18.296 1.00 15.90 N1+ ATOM 1480 H ARG A 116 4.051 -14.761 12.962 1.00 11.38 H ATOM 1481 HA ARG A 116 6.298 -16.373 13.702 1.00 11.61 H ATOM 1482 HB2 ARG A 116 6.497 -13.939 13.438 1.00 11.49 H ATOM 1483 HB3 ARG A 116 5.283 -13.655 14.637 1.00 11.49 H ATOM 1484 HG2 ARG A 116 7.392 -13.134 15.601 1.00 13.78 H ATOM 1485 HG3 ARG A 116 6.765 -14.495 16.447 1.00 13.78 H ATOM 1486 HD2 ARG A 116 8.287 -15.947 14.825 1.00 15.69 H ATOM 1487 HD3 ARG A 116 9.019 -14.421 14.396 1.00 15.69 H ATOM 1488 HE ARG A 116 9.930 -14.196 16.525 1.00 15.72 H ATOM 1489 HH11 ARG A 116 7.806 -17.070 16.481 1.00 17.96 H ATOM 1490 HH12 ARG A 116 8.583 -17.815 17.855 1.00 17.96 H ATOM 1491 HH21 ARG A 116 10.872 -15.188 18.399 1.00 19.09 H ATOM 1492 HH22 ARG A 116 10.231 -16.702 18.983 1.00 19.09 H ATOM 1493 N VAL A 117 3.880 -16.109 15.962 1.00 10.04 N ATOM 1494 CA VAL A 117 3.285 -16.683 17.177 1.00 9.69 C ATOM 1495 C VAL A 117 3.216 -18.220 17.132 1.00 9.91 C ATOM 1496 O VAL A 117 3.487 -18.871 18.141 1.00 10.36 O ATOM 1497 CB VAL A 117 1.896 -16.033 17.450 1.00 9.31 C ATOM 1498 CG1 VAL A 117 1.074 -16.744 18.543 1.00 10.50 C ATOM 1499 CG2 VAL A 117 2.005 -14.543 17.822 1.00 10.65 C ATOM 1500 H VAL A 117 3.317 -15.439 15.457 1.00 12.05 H ATOM 1501 HA VAL A 117 3.940 -16.431 18.003 1.00 11.63 H ATOM 1502 HB VAL A 117 1.321 -16.092 16.526 1.00 11.18 H ATOM 1503 HG11 VAL A 117 0.178 -16.179 18.798 1.00 12.60 H ATOM 1504 HG12 VAL A 117 0.744 -17.735 18.228 1.00 12.60 H ATOM 1505 HG13 VAL A 117 1.655 -16.857 19.459 1.00 12.60 H ATOM 1506 HG21 VAL A 117 1.105 -14.000 17.530 1.00 12.78 H ATOM 1507 HG22 VAL A 117 2.115 -14.418 18.896 1.00 12.78 H ATOM 1508 HG23 VAL A 117 2.859 -14.051 17.362 1.00 12.78 H ATOM 1509 N VAL A 118 2.874 -18.787 15.964 1.00 9.55 N ATOM 1510 CA VAL A 118 2.626 -20.217 15.790 1.00 9.79 C ATOM 1511 C VAL A 118 3.860 -20.989 15.277 1.00 12.11 C ATOM 1512 O VAL A 118 3.768 -22.207 15.116 1.00 14.05 O ATOM 1513 CB VAL A 118 1.385 -20.417 14.879 1.00 10.63 C ATOM 1514 CG1 VAL A 118 0.160 -19.674 15.445 1.00 10.53 C ATOM 1515 CG2 VAL A 118 1.596 -20.034 13.406 1.00 10.71 C ATOM 1516 H VAL A 118 2.685 -18.185 15.176 1.00 11.47 H ATOM 1517 HA VAL A 118 2.385 -20.646 16.763 1.00 11.75 H ATOM 1518 HB VAL A 118 1.145 -21.480 14.899 1.00 12.75 H ATOM 1519 HG11 VAL A 118 -0.763 -19.995 14.967 1.00 12.64 H ATOM 1520 HG12 VAL A 118 0.047 -19.835 16.512 1.00 12.64 H ATOM 1521 HG13 VAL A 118 0.246 -18.598 15.312 1.00 12.64 H ATOM 1522 HG21 VAL A 118 0.691 -20.205 12.825 1.00 12.85 H ATOM 1523 HG22 VAL A 118 1.846 -18.981 13.314 1.00 12.85 H ATOM 1524 HG23 VAL A 118 2.390 -20.615 12.941 1.00 12.85 H ATOM 1525 N ARG A 119 5.017 -20.323 15.083 1.00 12.54 N ATOM 1526 CA ARG A 119 6.320 -20.974 14.888 1.00 12.51 C ATOM 1527 C ARG A 119 6.924 -21.470 16.218 1.00 15.43 C ATOM 1528 O ARG A 119 7.789 -22.345 16.185 1.00 18.07 O ATOM 1529 CB ARG A 119 7.323 -20.012 14.205 1.00 11.66 C ATOM 1530 CG ARG A 119 7.051 -19.844 12.699 1.00 12.03 C ATOM 1531 CD ARG A 119 8.204 -19.219 11.899 1.00 12.02 C ATOM 1532 NE ARG A 119 8.389 -17.785 12.164 1.00 13.89 N ATOM 1533 CZ ARG A 119 7.792 -16.770 11.514 1.00 11.69 C ATOM 1534 NH1 ARG A 119 6.815 -16.980 10.620 1.00 14.71 N ATOM 1535 NH2 ARG A 119 8.182 -15.513 11.760 1.00 15.09 N1+ ATOM 1536 H ARG A 119 5.017 -19.322 15.225 1.00 15.05 H ATOM 1537 HA ARG A 119 6.201 -21.853 14.257 1.00 15.01 H ATOM 1538 HB2 ARG A 119 7.328 -19.041 14.700 1.00 14.00 H ATOM 1539 HB3 ARG A 119 8.334 -20.408 14.315 1.00 14.00 H ATOM 1540 HG2 ARG A 119 6.862 -20.826 12.269 1.00 14.44 H ATOM 1541 HG3 ARG A 119 6.139 -19.279 12.539 1.00 14.44 H ATOM 1542 HD2 ARG A 119 9.137 -19.737 12.123 1.00 14.43 H ATOM 1543 HD3 ARG A 119 8.034 -19.360 10.831 1.00 14.43 H ATOM 1544 HE ARG A 119 9.078 -17.564 12.868 1.00 16.67 H ATOM 1545 HH11 ARG A 119 6.479 -17.918 10.444 1.00 17.66 H ATOM 1546 HH12 ARG A 119 6.384 -16.204 10.140 1.00 17.66 H ATOM 1547 HH21 ARG A 119 8.943 -15.329 12.397 1.00 18.11 H ATOM 1548 HH22 ARG A 119 7.743 -14.738 11.282 1.00 18.11 H ATOM 1549 N ASP A 120 6.445 -20.969 17.372 1.00 12.51 N ATOM 1550 CA ASP A 120 6.784 -21.467 18.711 1.00 11.52 C ATOM 1551 C ASP A 120 5.900 -22.686 19.078 1.00 12.97 C ATOM 1552 O ASP A 120 4.814 -22.824 18.509 1.00 14.38 O ATOM 1553 CB ASP A 120 6.577 -20.332 19.749 1.00 12.81 C ATOM 1554 CG ASP A 120 7.641 -19.225 19.702 1.00 13.64 C ATOM 1555 OD1 ASP A 120 8.526 -19.274 18.818 1.00 19.70 O ATOM 1556 OD2 ASP A 120 7.570 -18.337 20.576 1.00 20.12 O1- ATOM 1557 H ASP A 120 5.731 -20.256 17.321 1.00 15.01 H ATOM 1558 HA ASP A 120 7.832 -21.764 18.698 1.00 13.83 H ATOM 1559 HB2 ASP A 120 5.596 -19.873 19.614 1.00 15.37 H ATOM 1560 HB3 ASP A 120 6.578 -20.727 20.764 1.00 15.37 H ATOM 1561 N PRO A 121 6.365 -23.588 19.984 1.00 13.74 N ATOM 1562 CA PRO A 121 5.764 -24.902 20.312 1.00 13.99 C ATOM 1563 C PRO A 121 4.243 -25.030 20.518 1.00 11.78 C ATOM 1564 O PRO A 121 3.694 -26.082 20.188 1.00 13.07 O ATOM 1565 CB PRO A 121 6.490 -25.373 21.577 1.00 15.60 C ATOM 1566 CG PRO A 121 7.865 -24.752 21.469 1.00 17.76 C ATOM 1567 CD PRO A 121 7.630 -23.441 20.721 1.00 14.86 C ATOM 1568 HA PRO A 121 6.038 -25.565 19.489 1.00 16.79 H ATOM 1569 HB2 PRO A 121 5.997 -24.992 22.474 1.00 18.73 H ATOM 1570 HB3 PRO A 121 6.531 -26.460 21.658 1.00 18.73 H ATOM 1571 HG2 PRO A 121 8.346 -24.607 22.437 1.00 21.31 H ATOM 1572 HG3 PRO A 121 8.506 -25.401 20.872 1.00 21.31 H ATOM 1573 HD2 PRO A 121 7.546 -22.624 21.437 1.00 17.83 H ATOM 1574 HD3 PRO A 121 8.484 -23.243 20.074 1.00 17.83 H ATOM 1575 N GLN A 122 3.563 -24.002 21.056 1.00 11.85 N ATOM 1576 CA GLN A 122 2.120 -24.025 21.330 1.00 11.58 C ATOM 1577 C GLN A 122 1.262 -24.013 20.055 1.00 12.78 C ATOM 1578 O GLN A 122 0.174 -24.591 20.051 1.00 11.76 O ATOM 1579 CB GLN A 122 1.737 -22.791 22.176 1.00 17.30 C ATOM 1580 CG GLN A 122 2.034 -22.969 23.674 1.00 20.46 C ATOM 1581 CD GLN A 122 1.563 -21.764 24.491 1.00 19.77 C ATOM 1582 OE1 GLN A 122 1.940 -20.630 24.205 1.00 28.97 O ATOM 1583 NE2 GLN A 122 0.737 -22.000 25.512 1.00 28.39 N ATOM 1584 H GLN A 122 4.070 -23.164 21.302 1.00 14.22 H ATOM 1585 HA GLN A 122 1.876 -24.934 21.882 1.00 13.90 H ATOM 1586 HB2 GLN A 122 2.237 -21.901 21.789 1.00 20.76 H ATOM 1587 HB3 GLN A 122 0.667 -22.592 22.078 1.00 20.76 H ATOM 1588 HG2 GLN A 122 1.551 -23.875 24.044 1.00 24.56 H ATOM 1589 HG3 GLN A 122 3.105 -23.098 23.832 1.00 24.56 H ATOM 1590 HE21 GLN A 122 0.447 -22.943 25.723 1.00 34.06 H ATOM 1591 HE22 GLN A 122 0.407 -21.226 26.070 1.00 34.06 H ATOM 1592 N GLY A 123 1.731 -23.349 18.987 1.00 11.44 N ATOM 1593 CA GLY A 123 0.951 -23.102 17.783 1.00 11.54 C ATOM 1594 C GLY A 123 -0.161 -22.083 18.056 1.00 12.67 C ATOM 1595 O GLY A 123 0.054 -21.083 18.743 1.00 12.65 O ATOM 1596 H GLY A 123 2.648 -22.926 19.044 1.00 13.73 H ATOM 1597 HA2 GLY A 123 1.611 -22.731 17.002 1.00 13.85 H ATOM 1598 HA3 GLY A 123 0.532 -24.040 17.414 1.00 13.85 H ATOM 1599 N ILE A 124 -1.356 -22.361 17.517 1.00 14.00 N ATOM 1600 CA ILE A 124 -2.594 -21.585 17.652 1.00 13.78 C ATOM 1601 C ILE A 124 -3.164 -21.553 19.098 1.00 12.99 C ATOM 1602 O ILE A 124 -4.029 -20.729 19.394 1.00 13.89 O ATOM 1603 CB ILE A 124 -3.597 -22.171 16.614 1.00 16.41 C ATOM 1604 CG1 ILE A 124 -4.841 -21.300 16.343 1.00 24.60 C ATOM 1605 CG2 ILE A 124 -4.010 -23.624 16.926 1.00 16.71 C ATOM 1606 CD1 ILE A 124 -4.539 -19.942 15.703 1.00 22.60 C ATOM 1607 H ILE A 124 -1.425 -23.205 16.967 1.00 16.81 H ATOM 1608 HA ILE A 124 -2.352 -20.558 17.377 1.00 16.54 H ATOM 1609 HB ILE A 124 -3.071 -22.214 15.663 1.00 19.69 H ATOM 1610 HG12 ILE A 124 -5.507 -21.839 15.669 1.00 29.52 H ATOM 1611 HG13 ILE A 124 -5.404 -21.147 17.259 1.00 29.52 H ATOM 1612 HG21 ILE A 124 -4.659 -24.022 16.146 1.00 20.05 H ATOM 1613 HG22 ILE A 124 -3.148 -24.287 16.992 1.00 20.05 H ATOM 1614 HG23 ILE A 124 -4.549 -23.690 17.868 1.00 20.05 H ATOM 1615 HD11 ILE A 124 -5.462 -19.451 15.395 1.00 27.12 H ATOM 1616 HD12 ILE A 124 -4.034 -19.283 16.405 1.00 27.12 H ATOM 1617 HD13 ILE A 124 -3.906 -20.043 14.822 1.00 27.12 H ATOM 1618 N ARG A 125 -2.652 -22.403 20.009 1.00 11.84 N ATOM 1619 CA ARG A 125 -2.996 -22.454 21.437 1.00 11.69 C ATOM 1620 C ARG A 125 -2.289 -21.364 22.269 1.00 14.55 C ATOM 1621 O ARG A 125 -2.545 -21.266 23.469 1.00 15.07 O ATOM 1622 CB ARG A 125 -2.568 -23.827 22.000 1.00 11.98 C ATOM 1623 CG ARG A 125 -3.397 -24.991 21.443 1.00 13.07 C ATOM 1624 CD ARG A 125 -2.806 -26.364 21.779 1.00 16.93 C ATOM 1625 NE ARG A 125 -3.787 -27.430 21.533 1.00 15.42 N ATOM 1626 CZ ARG A 125 -4.070 -27.989 20.344 1.00 14.32 C ATOM 1627 NH1 ARG A 125 -3.455 -27.594 19.220 1.00 14.07 N ATOM 1628 NH2 ARG A 125 -4.995 -28.955 20.282 1.00 17.04 N1+ ATOM 1629 H ARG A 125 -1.929 -23.035 19.697 1.00 14.21 H ATOM 1630 HA ARG A 125 -4.073 -22.327 21.560 1.00 14.03 H ATOM 1631 HB2 ARG A 125 -1.511 -23.991 21.804 1.00 14.37 H ATOM 1632 HB3 ARG A 125 -2.667 -23.845 23.087 1.00 14.37 H ATOM 1633 HG2 ARG A 125 -4.411 -24.914 21.838 1.00 15.69 H ATOM 1634 HG3 ARG A 125 -3.481 -24.906 20.359 1.00 15.69 H ATOM 1635 HD2 ARG A 125 -1.888 -26.547 21.218 1.00 20.32 H ATOM 1636 HD3 ARG A 125 -2.539 -26.402 22.835 1.00 20.32 H ATOM 1637 HE ARG A 125 -4.306 -27.738 22.343 1.00 18.50 H ATOM 1638 HH11 ARG A 125 -2.752 -26.870 19.260 1.00 16.88 H ATOM 1639 HH12 ARG A 125 -3.676 -28.020 18.332 1.00 16.88 H ATOM 1640 HH21 ARG A 125 -5.466 -29.265 21.120 1.00 20.45 H ATOM 1641 HH22 ARG A 125 -5.221 -29.392 19.401 1.00 20.45 H ATOM 1642 N ALA A 126 -1.438 -20.526 21.650 1.00 13.46 N ATOM 1643 CA ALA A 126 -0.800 -19.362 22.269 1.00 13.00 C ATOM 1644 C ALA A 126 -1.810 -18.265 22.657 1.00 11.89 C ATOM 1645 O ALA A 126 -1.570 -17.530 23.613 1.00 14.23 O ATOM 1646 CB ALA A 126 0.228 -18.795 21.282 1.00 15.93 C ATOM 1647 H ALA A 126 -1.260 -20.674 20.666 1.00 16.15 H ATOM 1648 HA ALA A 126 -0.288 -19.685 23.175 1.00 15.60 H ATOM 1649 HB1 ALA A 126 0.735 -17.921 21.691 1.00 19.11 H ATOM 1650 HB2 ALA A 126 0.994 -19.535 21.046 1.00 19.11 H ATOM 1651 HB3 ALA A 126 -0.248 -18.500 20.346 1.00 19.11 H ATOM 1652 N TRP A 127 -2.952 -18.200 21.952 1.00 11.38 N ATOM 1653 CA TRP A 127 -4.127 -17.417 22.314 1.00 11.15 C ATOM 1654 C TRP A 127 -5.105 -18.334 23.065 1.00 10.48 C ATOM 1655 O TRP A 127 -5.480 -19.396 22.563 1.00 11.09 O ATOM 1656 CB TRP A 127 -4.813 -16.944 21.022 1.00 10.79 C ATOM 1657 CG TRP A 127 -4.034 -15.966 20.192 1.00 10.01 C ATOM 1658 CD1 TRP A 127 -3.986 -14.629 20.388 1.00 11.31 C ATOM 1659 CD2 TRP A 127 -3.235 -16.221 18.997 1.00 10.64 C ATOM 1660 NE1 TRP A 127 -3.231 -14.041 19.395 1.00 11.70 N ATOM 1661 CE2 TRP A 127 -2.763 -14.971 18.491 1.00 10.77 C ATOM 1662 CE3 TRP A 127 -2.878 -17.382 18.274 1.00 9.07 C ATOM 1663 CZ2 TRP A 127 -2.008 -14.875 17.308 1.00 10.87 C ATOM 1664 CZ3 TRP A 127 -2.118 -17.299 17.091 1.00 10.65 C ATOM 1665 CH2 TRP A 127 -1.691 -16.050 16.604 1.00 10.80 C ATOM 1666 H TRP A 127 -3.065 -18.849 21.187 1.00 13.66 H ATOM 1667 HA TRP A 127 -3.861 -16.554 22.928 1.00 13.38 H ATOM 1668 HB2 TRP A 127 -5.069 -17.794 20.386 1.00 12.95 H ATOM 1669 HB3 TRP A 127 -5.762 -16.474 21.275 1.00 12.95 H ATOM 1670 HD1 TRP A 127 -4.493 -14.108 21.187 1.00 13.57 H ATOM 1671 HE1 TRP A 127 -3.108 -13.040 19.340 1.00 14.04 H ATOM 1672 HE3 TRP A 127 -3.210 -18.346 18.625 1.00 10.88 H ATOM 1673 HZ2 TRP A 127 -1.679 -13.916 16.940 1.00 13.04 H ATOM 1674 HZ3 TRP A 127 -1.872 -18.198 16.549 1.00 12.78 H ATOM 1675 HH2 TRP A 127 -1.114 -15.998 15.694 1.00 12.96 H ATOM 1676 N VAL A 128 -5.520 -17.911 24.269 1.00 12.74 N ATOM 1677 CA VAL A 128 -6.434 -18.649 25.146 1.00 10.43 C ATOM 1678 C VAL A 128 -7.898 -18.579 24.662 1.00 11.58 C ATOM 1679 O VAL A 128 -8.670 -19.484 24.972 1.00 11.77 O ATOM 1680 CB VAL A 128 -6.287 -18.111 26.598 1.00 16.00 C ATOM 1681 CG1 VAL A 128 -6.728 -16.645 26.783 1.00 24.69 C ATOM 1682 CG2 VAL A 128 -6.972 -19.019 27.637 1.00 19.49 C ATOM 1683 H VAL A 128 -5.169 -17.027 24.611 1.00 15.29 H ATOM 1684 HA VAL A 128 -6.132 -19.697 25.135 1.00 12.52 H ATOM 1685 HB VAL A 128 -5.222 -18.146 26.831 1.00 19.20 H ATOM 1686 HG11 VAL A 128 -6.493 -16.295 27.788 1.00 29.62 H ATOM 1687 HG12 VAL A 128 -6.222 -15.979 26.084 1.00 29.62 H ATOM 1688 HG13 VAL A 128 -7.802 -16.523 26.642 1.00 29.62 H ATOM 1689 HG21 VAL A 128 -6.719 -18.709 28.651 1.00 23.39 H ATOM 1690 HG22 VAL A 128 -8.059 -18.988 27.551 1.00 23.39 H ATOM 1691 HG23 VAL A 128 -6.657 -20.057 27.524 1.00 23.39 H ATOM 1692 N ALA A 129 -8.274 -17.560 23.865 1.00 12.19 N ATOM 1693 CA ALA A 129 -9.612 -17.415 23.286 1.00 12.90 C ATOM 1694 C ALA A 129 -9.899 -18.478 22.213 1.00 12.89 C ATOM 1695 O ALA A 129 -11.052 -18.872 22.059 1.00 11.98 O ATOM 1696 CB ALA A 129 -9.742 -16.029 22.643 1.00 14.64 C ATOM 1697 H ALA A 129 -7.592 -16.850 23.637 1.00 14.63 H ATOM 1698 HA ALA A 129 -10.351 -17.508 24.086 1.00 15.48 H ATOM 1699 HB1 ALA A 129 -10.766 -15.838 22.317 1.00 17.57 H ATOM 1700 HB2 ALA A 129 -9.467 -15.236 23.339 1.00 17.57 H ATOM 1701 HB3 ALA A 129 -9.102 -15.944 21.766 1.00 17.57 H ATOM 1702 N TRP A 130 -8.859 -18.988 21.526 1.00 11.16 N ATOM 1703 CA TRP A 130 -8.963 -20.119 20.607 1.00 9.70 C ATOM 1704 C TRP A 130 -9.161 -21.439 21.374 1.00 9.80 C ATOM 1705 O TRP A 130 -9.921 -22.289 20.920 1.00 9.82 O ATOM 1706 CB TRP A 130 -7.686 -20.209 19.745 1.00 10.82 C ATOM 1707 CG TRP A 130 -7.724 -21.277 18.691 1.00 9.75 C ATOM 1708 CD1 TRP A 130 -8.206 -21.120 17.436 1.00 9.31 C ATOM 1709 CD2 TRP A 130 -7.312 -22.677 18.792 1.00 10.30 C ATOM 1710 NE1 TRP A 130 -8.171 -22.331 16.778 1.00 10.76 N ATOM 1711 CE2 TRP A 130 -7.638 -23.330 17.565 1.00 10.93 C ATOM 1712 CE3 TRP A 130 -6.716 -23.471 19.801 1.00 10.00 C ATOM 1713 CZ2 TRP A 130 -7.405 -24.701 17.356 1.00 11.94 C ATOM 1714 CZ3 TRP A 130 -6.472 -24.844 19.598 1.00 11.27 C ATOM 1715 CH2 TRP A 130 -6.819 -25.461 18.382 1.00 10.89 C ATOM 1716 H TRP A 130 -7.937 -18.616 21.707 1.00 13.39 H ATOM 1717 HA TRP A 130 -9.820 -19.959 19.951 1.00 11.64 H ATOM 1718 HB2 TRP A 130 -7.539 -19.256 19.239 1.00 12.99 H ATOM 1719 HB3 TRP A 130 -6.801 -20.361 20.364 1.00 12.99 H ATOM 1720 HD1 TRP A 130 -8.606 -20.197 17.044 1.00 11.17 H ATOM 1721 HE1 TRP A 130 -8.531 -22.457 15.842 1.00 12.92 H ATOM 1722 HE3 TRP A 130 -6.455 -23.019 20.747 1.00 12.01 H ATOM 1723 HZ2 TRP A 130 -7.669 -25.164 16.417 1.00 14.33 H ATOM 1724 HZ3 TRP A 130 -6.032 -25.437 20.384 1.00 13.53 H ATOM 1725 HH2 TRP A 130 -6.635 -26.515 18.238 1.00 13.07 H ATOM 1726 N ARG A 131 -8.524 -21.604 22.546 1.00 9.44 N ATOM 1727 CA ARG A 131 -8.669 -22.787 23.399 1.00 9.96 C ATOM 1728 C ARG A 131 -10.072 -22.889 24.030 1.00 11.02 C ATOM 1729 O ARG A 131 -10.525 -23.996 24.317 1.00 10.76 O ATOM 1730 CB ARG A 131 -7.616 -22.751 24.524 1.00 12.45 C ATOM 1731 CG ARG A 131 -6.160 -22.829 24.026 1.00 12.75 C ATOM 1732 CD ARG A 131 -5.136 -22.744 25.166 1.00 18.24 C ATOM 1733 NE ARG A 131 -5.271 -23.859 26.115 1.00 26.35 N ATOM 1734 CZ ARG A 131 -4.701 -23.919 27.331 1.00 37.67 C ATOM 1735 NH1 ARG A 131 -3.915 -22.931 27.782 1.00 20.62 N ATOM 1736 NH2 ARG A 131 -4.923 -24.987 28.107 1.00 33.16 N1+ ATOM 1737 H ARG A 131 -7.926 -20.859 22.877 1.00 11.33 H ATOM 1738 HA ARG A 131 -8.501 -23.677 22.794 1.00 11.95 H ATOM 1739 HB2 ARG A 131 -7.742 -21.856 25.131 1.00 14.94 H ATOM 1740 HB3 ARG A 131 -7.796 -23.591 25.197 1.00 14.94 H ATOM 1741 HG2 ARG A 131 -6.005 -23.746 23.460 1.00 15.30 H ATOM 1742 HG3 ARG A 131 -5.964 -22.014 23.329 1.00 15.30 H ATOM 1743 HD2 ARG A 131 -4.126 -22.770 24.763 1.00 21.89 H ATOM 1744 HD3 ARG A 131 -5.248 -21.799 25.696 1.00 21.89 H ATOM 1745 HE ARG A 131 -5.833 -24.637 25.802 1.00 31.62 H ATOM 1746 HH11 ARG A 131 -3.738 -22.124 27.201 1.00 24.75 H ATOM 1747 HH12 ARG A 131 -3.494 -22.981 28.699 1.00 24.75 H ATOM 1748 HH21 ARG A 131 -5.517 -25.738 27.786 1.00 39.80 H ATOM 1749 HH22 ARG A 131 -4.505 -25.049 29.024 1.00 39.80 H ATOM 1750 N ASN A 132 -10.755 -21.749 24.225 1.00 12.44 N ATOM 1751 CA ASN A 132 -12.086 -21.657 24.823 1.00 10.95 C ATOM 1752 C ASN A 132 -13.205 -21.733 23.767 1.00 10.98 C ATOM 1753 O ASN A 132 -14.254 -22.306 24.062 1.00 12.17 O ATOM 1754 CB ASN A 132 -12.231 -20.284 25.532 1.00 14.32 C ATOM 1755 CG ASN A 132 -11.296 -20.033 26.724 1.00 15.59 C ATOM 1756 OD1 ASN A 132 -11.007 -18.881 27.036 1.00 16.32 O ATOM 1757 ND2 ASN A 132 -10.839 -21.081 27.414 1.00 16.53 N ATOM 1758 H ASN A 132 -10.300 -20.881 23.976 1.00 14.93 H ATOM 1759 HA ASN A 132 -12.240 -22.465 25.541 1.00 13.14 H ATOM 1760 HB2 ASN A 132 -12.062 -19.479 24.815 1.00 17.18 H ATOM 1761 HB3 ASN A 132 -13.252 -20.157 25.897 1.00 17.18 H ATOM 1762 HD21 ASN A 132 -10.231 -20.924 28.205 1.00 19.83 H ATOM 1763 HD22 ASN A 132 -11.092 -22.020 27.144 1.00 19.83 H ATOM 1764 N ARG A 133 -13.012 -21.142 22.573 1.00 10.83 N ATOM 1765 CA ARG A 133 -14.080 -20.868 21.603 1.00 10.35 C ATOM 1766 C ARG A 133 -13.917 -21.587 20.253 1.00 10.16 C ATOM 1767 O ARG A 133 -14.798 -21.431 19.406 1.00 12.67 O ATOM 1768 CB ARG A 133 -14.166 -19.346 21.338 1.00 12.59 C ATOM 1769 CG ARG A 133 -14.348 -18.445 22.572 1.00 16.47 C ATOM 1770 CD ARG A 133 -15.724 -18.579 23.232 1.00 13.15 C ATOM 1771 NE ARG A 133 -15.911 -17.536 24.250 1.00 14.28 N ATOM 1772 CZ ARG A 133 -17.087 -17.058 24.692 1.00 15.35 C ATOM 1773 NH1 ARG A 133 -18.254 -17.523 24.224 1.00 18.45 N ATOM 1774 NH2 ARG A 133 -17.092 -16.097 25.624 1.00 17.58 N1+ ATOM 1775 H ARG A 133 -12.120 -20.697 22.402 1.00 13.00 H ATOM 1776 HA ARG A 133 -15.045 -21.190 21.999 1.00 12.42 H ATOM 1777 HB2 ARG A 133 -13.277 -19.021 20.796 1.00 15.11 H ATOM 1778 HB3 ARG A 133 -14.999 -19.152 20.663 1.00 15.11 H ATOM 1779 HG2 ARG A 133 -13.561 -18.627 23.302 1.00 19.77 H ATOM 1780 HG3 ARG A 133 -14.215 -17.409 22.260 1.00 19.77 H ATOM 1781 HD2 ARG A 133 -16.498 -18.478 22.471 1.00 15.79 H ATOM 1782 HD3 ARG A 133 -15.843 -19.560 23.693 1.00 15.79 H ATOM 1783 HE ARG A 133 -15.064 -17.176 24.665 1.00 17.14 H ATOM 1784 HH11 ARG A 133 -18.260 -18.241 23.514 1.00 22.14 H ATOM 1785 HH12 ARG A 133 -19.131 -17.156 24.566 1.00 22.14 H ATOM 1786 HH21 ARG A 133 -16.223 -15.731 25.987 1.00 21.10 H ATOM 1787 HH22 ARG A 133 -17.964 -15.723 25.971 1.00 21.10 H ATOM 1788 N CYS A 134 -12.821 -22.335 20.020 1.00 9.65 N ATOM 1789 CA CYS A 134 -12.471 -22.903 18.708 1.00 9.51 C ATOM 1790 C CYS A 134 -11.950 -24.344 18.776 1.00 9.24 C ATOM 1791 O CYS A 134 -12.220 -25.125 17.863 1.00 9.81 O ATOM 1792 CB CYS A 134 -11.474 -21.987 17.966 1.00 9.16 C ATOM 1793 SG CYS A 134 -11.924 -20.237 17.840 1.00 10.41 S ATOM 1794 H CYS A 134 -12.130 -22.408 20.753 1.00 11.58 H ATOM 1795 HA CYS A 134 -13.372 -22.958 18.094 1.00 11.41 H ATOM 1796 HB2 CYS A 134 -10.517 -22.029 18.477 1.00 11.00 H ATOM 1797 HB3 CYS A 134 -11.291 -22.365 16.959 1.00 11.00 H ATOM 1798 N GLN A 135 -11.197 -24.695 19.833 1.00 9.36 N ATOM 1799 CA GLN A 135 -10.521 -25.983 19.990 1.00 9.57 C ATOM 1800 C GLN A 135 -11.541 -27.091 20.298 1.00 9.95 C ATOM 1801 O GLN A 135 -12.313 -26.982 21.250 1.00 10.33 O ATOM 1802 CB GLN A 135 -9.501 -25.871 21.144 1.00 10.53 C ATOM 1803 CG GLN A 135 -8.596 -27.114 21.289 1.00 11.51 C ATOM 1804 CD GLN A 135 -7.685 -27.071 22.517 1.00 12.86 C ATOM 1805 OE1 GLN A 135 -7.134 -26.030 22.865 1.00 16.29 O ATOM 1806 NE2 GLN A 135 -7.518 -28.217 23.180 1.00 19.61 N ATOM 1807 H GLN A 135 -10.997 -23.991 20.530 1.00 11.23 H ATOM 1808 HA GLN A 135 -9.986 -26.207 19.065 1.00 11.48 H ATOM 1809 HB2 GLN A 135 -8.875 -24.998 20.968 1.00 12.64 H ATOM 1810 HB3 GLN A 135 -10.023 -25.680 22.083 1.00 12.64 H ATOM 1811 HG2 GLN A 135 -9.201 -28.015 21.346 1.00 13.81 H ATOM 1812 HG3 GLN A 135 -7.975 -27.229 20.402 1.00 13.81 H ATOM 1813 HE21 GLN A 135 -8.024 -29.043 22.890 1.00 23.53 H ATOM 1814 HE22 GLN A 135 -6.944 -28.238 24.010 1.00 23.53 H ATOM 1815 N ASN A 136 -11.531 -28.142 19.460 1.00 11.01 N ATOM 1816 CA ASN A 136 -12.362 -29.354 19.529 1.00 11.25 C ATOM 1817 C ASN A 136 -13.809 -29.147 19.038 1.00 14.13 C ATOM 1818 O ASN A 136 -14.630 -30.056 19.156 1.00 17.91 O ATOM 1819 CB ASN A 136 -12.262 -30.115 20.882 1.00 13.52 C ATOM 1820 CG ASN A 136 -10.843 -30.572 21.241 1.00 13.20 C ATOM 1821 OD1 ASN A 136 -10.271 -30.123 22.232 1.00 14.03 O ATOM 1822 ND2 ASN A 136 -10.283 -31.501 20.463 1.00 14.66 N ATOM 1823 H ASN A 136 -10.870 -28.109 18.698 1.00 13.22 H ATOM 1824 HA ASN A 136 -11.934 -30.009 18.770 1.00 13.50 H ATOM 1825 HB2 ASN A 136 -12.657 -29.508 21.696 1.00 16.22 H ATOM 1826 HB3 ASN A 136 -12.887 -31.008 20.856 1.00 16.22 H ATOM 1827 HD21 ASN A 136 -9.360 -31.846 20.685 1.00 17.59 H ATOM 1828 HD22 ASN A 136 -10.788 -31.872 19.672 1.00 17.59 H ATOM 1829 N ARG A 137 -14.120 -27.961 18.489 1.00 10.49 N ATOM 1830 CA ARG A 137 -15.425 -27.574 17.960 1.00 10.62 C ATOM 1831 C ARG A 137 -15.423 -27.620 16.426 1.00 11.08 C ATOM 1832 O ARG A 137 -14.369 -27.572 15.788 1.00 11.61 O ATOM 1833 CB ARG A 137 -15.704 -26.113 18.366 1.00 12.36 C ATOM 1834 CG ARG A 137 -15.775 -25.887 19.884 1.00 12.15 C ATOM 1835 CD ARG A 137 -16.253 -24.469 20.203 1.00 13.49 C ATOM 1836 NE ARG A 137 -16.113 -24.148 21.631 1.00 13.40 N ATOM 1837 CZ ARG A 137 -17.113 -24.017 22.521 1.00 13.93 C ATOM 1838 NH1 ARG A 137 -18.393 -24.233 22.183 1.00 18.62 N ATOM 1839 NH2 ARG A 137 -16.825 -23.665 23.779 1.00 15.20 N1+ ATOM 1840 H ARG A 137 -13.382 -27.274 18.412 1.00 12.59 H ATOM 1841 HA ARG A 137 -16.215 -28.222 18.345 1.00 12.75 H ATOM 1842 HB2 ARG A 137 -14.947 -25.451 17.941 1.00 14.83 H ATOM 1843 HB3 ARG A 137 -16.653 -25.795 17.930 1.00 14.83 H ATOM 1844 HG2 ARG A 137 -16.460 -26.608 20.331 1.00 14.58 H ATOM 1845 HG3 ARG A 137 -14.799 -26.061 20.338 1.00 14.58 H ATOM 1846 HD2 ARG A 137 -15.643 -23.769 19.641 1.00 16.19 H ATOM 1847 HD3 ARG A 137 -17.276 -24.317 19.859 1.00 16.19 H ATOM 1848 HE ARG A 137 -15.167 -24.004 21.956 1.00 16.08 H ATOM 1849 HH11 ARG A 137 -18.624 -24.506 21.239 1.00 22.35 H ATOM 1850 HH12 ARG A 137 -19.131 -24.133 22.864 1.00 22.35 H ATOM 1851 HH21 ARG A 137 -15.870 -23.445 24.038 1.00 18.24 H ATOM 1852 HH22 ARG A 137 -17.554 -23.579 24.471 1.00 18.24 H ATOM 1853 N ASP A 138 -16.633 -27.642 15.843 1.00 10.42 N ATOM 1854 CA ASP A 138 -16.879 -27.434 14.419 1.00 9.99 C ATOM 1855 C ASP A 138 -16.786 -25.922 14.127 1.00 11.40 C ATOM 1856 O ASP A 138 -17.535 -25.125 14.696 1.00 11.70 O ATOM 1857 CB ASP A 138 -18.289 -27.991 14.088 1.00 11.82 C ATOM 1858 CG ASP A 138 -18.705 -27.949 12.611 1.00 11.91 C ATOM 1859 OD1 ASP A 138 -17.907 -27.487 11.766 1.00 12.84 O ATOM 1860 OD2 ASP A 138 -19.824 -28.431 12.333 1.00 12.24 O1- ATOM 1861 H ASP A 138 -17.446 -27.685 16.439 1.00 12.50 H ATOM 1862 HA ASP A 138 -16.132 -27.979 13.838 1.00 11.99 H ATOM 1863 HB2 ASP A 138 -18.343 -29.033 14.406 1.00 14.19 H ATOM 1864 HB3 ASP A 138 -19.048 -27.461 14.666 1.00 14.19 H ATOM 1865 N VAL A 139 -15.847 -25.556 13.244 1.00 9.74 N ATOM 1866 CA VAL A 139 -15.483 -24.185 12.877 1.00 11.86 C ATOM 1867 C VAL A 139 -15.697 -23.913 11.372 1.00 11.26 C ATOM 1868 O VAL A 139 -15.303 -22.856 10.883 1.00 10.63 O ATOM 1869 CB VAL A 139 -14.037 -23.872 13.367 1.00 11.90 C ATOM 1870 CG1 VAL A 139 -13.937 -23.817 14.903 1.00 14.14 C ATOM 1871 CG2 VAL A 139 -12.973 -24.836 12.807 1.00 14.24 C ATOM 1872 H VAL A 139 -15.291 -26.291 12.831 1.00 11.70 H ATOM 1873 HA VAL A 139 -16.154 -23.484 13.377 1.00 14.24 H ATOM 1874 HB VAL A 139 -13.774 -22.875 13.014 1.00 14.28 H ATOM 1875 HG11 VAL A 139 -12.948 -23.484 15.219 1.00 16.96 H ATOM 1876 HG12 VAL A 139 -14.664 -23.126 15.328 1.00 16.96 H ATOM 1877 HG13 VAL A 139 -14.112 -24.794 15.353 1.00 16.96 H ATOM 1878 HG21 VAL A 139 -11.969 -24.494 13.062 1.00 17.09 H ATOM 1879 HG22 VAL A 139 -13.089 -25.841 13.215 1.00 17.09 H ATOM 1880 HG23 VAL A 139 -13.023 -24.915 11.722 1.00 17.09 H ATOM 1881 N ARG A 140 -16.351 -24.834 10.638 1.00 10.77 N ATOM 1882 CA ARG A 140 -16.593 -24.758 9.189 1.00 11.44 C ATOM 1883 C ARG A 140 -17.540 -23.613 8.775 1.00 11.21 C ATOM 1884 O ARG A 140 -17.511 -23.192 7.618 1.00 10.96 O ATOM 1885 CB ARG A 140 -17.204 -26.092 8.710 1.00 13.09 C ATOM 1886 CG ARG A 140 -16.279 -27.313 8.880 1.00 13.50 C ATOM 1887 CD ARG A 140 -16.944 -28.625 8.435 0.79 15.01 C ATOM 1888 NE ARG A 140 -18.003 -29.028 9.371 0.62 11.54 N ATOM 1889 CZ ARG A 140 -18.871 -30.040 9.207 0.76 14.33 C ATOM 1890 NH1 ARG A 140 -18.829 -30.827 8.123 0.76 18.58 N ATOM 1891 NH2 ARG A 140 -19.796 -30.262 10.149 0.75 15.74 N1+ ATOM 1892 H ARG A 140 -16.689 -25.662 11.112 1.00 12.92 H ATOM 1893 HA ARG A 140 -15.637 -24.599 8.687 1.00 13.73 H ATOM 1894 HB2 ARG A 140 -18.141 -26.268 9.240 1.00 15.71 H ATOM 1895 HB3 ARG A 140 -17.470 -26.014 7.654 1.00 15.71 H ATOM 1896 HG2 ARG A 140 -15.370 -27.158 8.298 1.00 16.21 H ATOM 1897 HG3 ARG A 140 -15.955 -27.407 9.917 1.00 16.21 H ATOM 1898 HD2 ARG A 140 -17.357 -28.521 7.432 1.00 18.01 H ATOM 1899 HD3 ARG A 140 -16.202 -29.422 8.398 0.91 18.01 H ATOM 1900 HE ARG A 140 -18.060 -28.482 10.229 0.12 13.85 H ATOM 1901 HH11 ARG A 140 -18.133 -30.664 7.411 1.00 22.30 H ATOM 1902 HH12 ARG A 140 -19.487 -31.585 8.011 0.60 22.30 H ATOM 1903 HH21 ARG A 140 -19.845 -29.648 10.961 0.48 18.89 H ATOM 1904 HH22 ARG A 140 -20.462 -31.014 10.060 0.08 18.89 H ATOM 1905 N GLN A 141 -18.354 -23.102 9.715 1.00 10.32 N ATOM 1906 CA GLN A 141 -19.315 -22.012 9.543 1.00 12.69 C ATOM 1907 C GLN A 141 -18.676 -20.641 9.249 1.00 11.30 C ATOM 1908 O GLN A 141 -19.327 -19.807 8.621 1.00 13.64 O ATOM 1909 CB GLN A 141 -20.190 -21.924 10.816 1.00 12.42 C ATOM 1910 CG GLN A 141 -19.422 -21.661 12.135 1.00 13.90 C ATOM 1911 CD GLN A 141 -20.366 -21.441 13.317 1.00 20.81 C ATOM 1912 OE1 GLN A 141 -21.179 -20.520 13.306 0.00 17.95 O ATOM 1913 NE2 GLN A 141 -20.253 -22.278 14.350 1.00 17.54 N ATOM 1914 H GLN A 141 -18.303 -23.516 10.635 1.00 12.38 H ATOM 1915 HA GLN A 141 -19.959 -22.265 8.700 1.00 15.23 H ATOM 1916 HB2 GLN A 141 -20.939 -21.143 10.668 1.00 14.90 H ATOM 1917 HB3 GLN A 141 -20.757 -22.850 10.915 1.00 14.90 H ATOM 1918 HG2 GLN A 141 -18.743 -22.487 12.351 1.00 16.68 H ATOM 1919 HG3 GLN A 141 -18.804 -20.768 12.055 1.00 16.68 H ATOM 1920 HE21 GLN A 141 -19.573 -23.025 14.330 1.00 21.05 H ATOM 1921 HE22 GLN A 141 -20.859 -22.163 15.149 1.00 21.05 H ATOM 1922 N TYR A 142 -17.426 -20.401 9.685 1.00 9.99 N ATOM 1923 CA TYR A 142 -16.752 -19.103 9.567 1.00 11.94 C ATOM 1924 C TYR A 142 -16.141 -18.870 8.170 1.00 10.89 C ATOM 1925 O TYR A 142 -15.823 -17.729 7.839 1.00 11.30 O ATOM 1926 CB TYR A 142 -15.619 -19.021 10.610 1.00 11.67 C ATOM 1927 CG TYR A 142 -16.065 -19.136 12.056 1.00 10.80 C ATOM 1928 CD1 TYR A 142 -16.914 -18.162 12.624 1.00 16.02 C ATOM 1929 CD2 TYR A 142 -15.632 -20.222 12.842 1.00 12.00 C ATOM 1930 CE1 TYR A 142 -17.341 -18.289 13.961 1.00 16.53 C ATOM 1931 CE2 TYR A 142 -16.072 -20.357 14.171 1.00 12.70 C ATOM 1932 CZ TYR A 142 -16.922 -19.389 14.734 1.00 12.81 C ATOM 1933 OH TYR A 142 -17.337 -19.522 16.027 1.00 14.98 O ATOM 1934 H TYR A 142 -16.940 -21.134 10.183 1.00 11.99 H ATOM 1935 HA TYR A 142 -17.469 -18.307 9.766 1.00 14.34 H ATOM 1936 HB2 TYR A 142 -14.846 -19.764 10.401 1.00 14.00 H ATOM 1937 HB3 TYR A 142 -15.143 -18.046 10.525 1.00 14.00 H ATOM 1938 HD1 TYR A 142 -17.246 -17.320 12.035 1.00 19.22 H ATOM 1939 HD2 TYR A 142 -14.957 -20.954 12.430 1.00 14.40 H ATOM 1940 HE1 TYR A 142 -18.001 -17.548 14.388 1.00 19.83 H ATOM 1941 HE2 TYR A 142 -15.743 -21.199 14.759 1.00 15.24 H ATOM 1942 HH TYR A 142 -17.051 -20.336 16.415 1.00 17.98 H ATOM 1943 N VAL A 143 -16.021 -19.926 7.349 1.00 11.04 N ATOM 1944 CA VAL A 143 -15.481 -19.921 5.985 1.00 9.85 C ATOM 1945 C VAL A 143 -16.515 -20.400 4.945 1.00 11.38 C ATOM 1946 O VAL A 143 -16.182 -20.502 3.764 1.00 11.44 O ATOM 1947 CB VAL A 143 -14.165 -20.746 5.934 1.00 10.12 C ATOM 1948 CG1 VAL A 143 -13.001 -20.008 6.614 1.00 12.19 C ATOM 1949 CG2 VAL A 143 -14.314 -22.177 6.487 1.00 12.39 C ATOM 1950 H VAL A 143 -16.314 -20.824 7.709 1.00 13.25 H ATOM 1951 HA VAL A 143 -15.243 -18.899 5.687 1.00 11.83 H ATOM 1952 HB VAL A 143 -13.874 -20.849 4.889 1.00 12.15 H ATOM 1953 HG11 VAL A 143 -12.079 -20.586 6.550 1.00 14.63 H ATOM 1954 HG12 VAL A 143 -12.816 -19.047 6.135 1.00 14.63 H ATOM 1955 HG13 VAL A 143 -13.206 -19.819 7.667 1.00 14.63 H ATOM 1956 HG21 VAL A 143 -13.398 -22.748 6.333 1.00 14.86 H ATOM 1957 HG22 VAL A 143 -14.524 -22.180 7.557 1.00 14.86 H ATOM 1958 HG23 VAL A 143 -15.119 -22.719 5.989 1.00 14.86 H ATOM 1959 N GLN A 144 -17.763 -20.678 5.365 1.00 12.36 N ATOM 1960 CA GLN A 144 -18.828 -21.222 4.526 1.00 11.97 C ATOM 1961 C GLN A 144 -19.356 -20.167 3.536 1.00 12.53 C ATOM 1962 O GLN A 144 -19.773 -19.081 3.941 1.00 11.74 O ATOM 1963 CB GLN A 144 -19.973 -21.710 5.447 1.00 17.88 C ATOM 1964 CG GLN A 144 -21.123 -22.449 4.722 1.00 18.59 C ATOM 1965 CD GLN A 144 -20.756 -23.806 4.101 0.44 21.81 C ATOM 1966 OE1 GLN A 144 -21.486 -24.300 3.248 0.27 22.63 O ATOM 1967 NE2 GLN A 144 -19.632 -24.413 4.493 0.28 26.44 N ATOM 1968 H GLN A 144 -17.968 -20.559 6.347 1.00 14.83 H ATOM 1969 HA GLN A 144 -18.413 -22.064 3.971 1.00 14.37 H ATOM 1970 HB2 GLN A 144 -19.570 -22.355 6.227 1.00 21.45 H ATOM 1971 HB3 GLN A 144 -20.394 -20.858 5.985 1.00 21.45 H ATOM 1972 HG2 GLN A 144 -21.923 -22.635 5.439 1.00 22.31 H ATOM 1973 HG3 GLN A 144 -21.564 -21.817 3.950 1.00 22.31 H ATOM 1974 HE21 GLN A 144 -19.046 -23.991 5.200 1.00 31.73 H ATOM 1975 HE22 GLN A 144 -19.380 -25.301 4.086 0.70 31.73 H ATOM 1976 N GLY A 145 -19.344 -20.518 2.239 1.00 10.69 N ATOM 1977 CA GLY A 145 -19.853 -19.712 1.129 1.00 10.87 C ATOM 1978 C GLY A 145 -18.941 -18.562 0.676 1.00 9.87 C ATOM 1979 O GLY A 145 -19.368 -17.751 -0.144 1.00 10.70 O ATOM 1980 H GLY A 145 -18.978 -21.430 2.004 1.00 12.83 H ATOM 1981 HA2 GLY A 145 -20.014 -20.374 0.278 1.00 13.04 H ATOM 1982 HA3 GLY A 145 -20.831 -19.305 1.392 1.00 13.04 H ATOM 1983 N CYS A 146 -17.712 -18.471 1.211 1.00 9.49 N ATOM 1984 CA CYS A 146 -16.807 -17.335 1.022 1.00 9.47 C ATOM 1985 C CYS A 146 -15.853 -17.484 -0.178 1.00 11.34 C ATOM 1986 O CYS A 146 -15.127 -16.536 -0.480 1.00 12.57 O ATOM 1987 CB CYS A 146 -15.956 -17.191 2.297 1.00 9.13 C ATOM 1988 SG CYS A 146 -16.880 -16.971 3.842 1.00 10.14 S ATOM 1989 H CYS A 146 -17.434 -19.173 1.882 1.00 11.39 H ATOM 1990 HA CYS A 146 -17.383 -16.422 0.868 1.00 11.37 H ATOM 1991 HB2 CYS A 146 -15.320 -18.063 2.430 1.00 10.96 H ATOM 1992 HB3 CYS A 146 -15.282 -16.338 2.202 1.00 10.96 H ATOM 1993 N GLY A 147 -15.860 -18.637 -0.872 1.00 12.86 N ATOM 1994 CA GLY A 147 -15.027 -18.906 -2.045 1.00 17.28 C ATOM 1995 C GLY A 147 -13.567 -19.224 -1.698 1.00 18.61 C ATOM 1996 O GLY A 147 -12.664 -18.809 -2.424 1.00 19.90 O ATOM 1997 H GLY A 147 -16.493 -19.365 -0.576 1.00 15.44 H ATOM 1998 HA2 GLY A 147 -15.448 -19.759 -2.578 1.00 20.73 H ATOM 1999 HA3 GLY A 147 -15.066 -18.059 -2.733 1.00 20.73 H ATOM 2000 N VAL A 148 -13.347 -19.923 -0.574 1.00 13.28 N ATOM 2001 CA VAL A 148 -12.048 -20.240 0.018 1.00 13.54 C ATOM 2002 C VAL A 148 -11.895 -21.755 0.231 1.00 18.84 C ATOM 2003 O VAL A 148 -10.727 -22.193 0.314 1.00 19.94 O ATOM 2004 CB VAL A 148 -11.842 -19.427 1.322 1.00 14.26 C ATOM 2005 CG1 VAL A 148 -11.822 -17.909 1.071 1.00 15.42 C ATOM 2006 CG2 VAL A 148 -12.849 -19.789 2.431 1.00 15.43 C ATOM 2007 OXT VAL A 148 -12.933 -22.448 0.320 1.00 20.39 O1- ATOM 2008 H VAL A 148 -14.151 -20.261 -0.066 1.00 15.93 H ATOM 2009 HA VAL A 148 -11.256 -19.956 -0.677 1.00 16.25 H ATOM 2010 HB VAL A 148 -10.852 -19.684 1.697 1.00 17.11 H ATOM 2011 HG11 VAL A 148 -11.563 -17.373 1.982 1.00 18.50 H ATOM 2012 HG12 VAL A 148 -11.085 -17.642 0.313 1.00 18.50 H ATOM 2013 HG13 VAL A 148 -12.792 -17.539 0.742 1.00 18.50 H ATOM 2014 HG21 VAL A 148 -12.737 -19.142 3.300 1.00 18.52 H ATOM 2015 HG22 VAL A 148 -13.877 -19.704 2.084 1.00 18.52 H ATOM 2016 HG23 VAL A 148 -12.708 -20.814 2.774 1.00 18.52 H CONECT 105 1988 CONECT 490 1793 CONECT 1036 1243 CONECT 1186 1432 CONECT 1243 1036 CONECT 1432 1186 CONECT 1793 490 CONECT 1988 105 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
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