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*** a ***elNémo ID: 23031419541262904Job options:ID = 23031419541262904 JOBID = a 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 a ATOM 1 N SER 1 9.969 15.201 3.108 1.00 0.00 N ATOM 2 H1 SER 1 10.391 14.449 3.632 1.00 0.00 H ATOM 3 H2 SER 1 9.022 15.336 3.431 1.00 0.00 H ATOM 4 H3 SER 1 10.487 16.047 3.293 1.00 0.00 H ATOM 5 CA SER 1 9.982 14.899 1.655 1.00 0.00 C ATOM 6 HA SER 1 11.018 14.791 1.334 1.00 0.00 H ATOM 7 CB SER 1 9.262 13.582 1.333 1.00 0.00 C ATOM 8 HB2 SER 1 9.753 12.757 1.851 1.00 0.00 H ATOM 9 HB3 SER 1 8.223 13.638 1.663 1.00 0.00 H ATOM 10 OG SER 1 9.292 13.336 -0.064 1.00 0.00 O ATOM 11 HG SER 1 8.784 12.522 -0.231 1.00 0.00 H ATOM 12 C SER 1 9.365 16.039 0.848 1.00 0.00 C ATOM 13 O SER 1 8.443 16.709 1.319 1.00 0.00 O ATOM 14 N ASN 2 9.857 16.252 -0.378 1.00 0.00 N ATOM 15 H ASN 2 10.619 15.663 -0.691 1.00 0.00 H ATOM 16 CA ASN 2 9.321 17.204 -1.364 1.00 0.00 C ATOM 17 HA ASN 2 8.545 17.803 -0.884 1.00 0.00 H ATOM 18 CB ASN 2 10.449 18.169 -1.785 1.00 0.00 C ATOM 19 HB2 ASN 2 10.003 18.987 -2.351 1.00 0.00 H ATOM 20 HB3 ASN 2 10.913 18.601 -0.898 1.00 0.00 H ATOM 21 CG ASN 2 11.541 17.534 -2.640 1.00 0.00 C ATOM 22 OD1 ASN 2 11.801 16.338 -2.603 1.00 0.00 O ATOM 23 ND2 ASN 2 12.222 18.316 -3.447 1.00 0.00 N ATOM 24 HD21 ASN 2 12.946 17.904 -4.015 1.00 0.00 H ATOM 25 HD22 ASN 2 12.023 19.305 -3.487 1.00 0.00 H ATOM 26 C ASN 2 8.638 16.533 -2.583 1.00 0.00 C ATOM 27 O ASN 2 8.188 17.237 -3.493 1.00 0.00 O ATOM 28 N ALA 3 8.566 15.193 -2.599 1.00 0.00 N ATOM 29 H ALA 3 8.973 14.664 -1.840 1.00 0.00 H ATOM 30 CA ALA 3 7.973 14.442 -3.715 1.00 0.00 C ATOM 31 HA ALA 3 7.258 15.080 -4.238 1.00 0.00 H ATOM 32 CB ALA 3 9.087 14.099 -4.717 1.00 0.00 C ATOM 33 HB1 ALA 3 8.640 13.685 -5.624 1.00 0.00 H ATOM 34 HB2 ALA 3 9.632 15.004 -4.990 1.00 0.00 H ATOM 35 HB3 ALA 3 9.781 13.380 -4.280 1.00 0.00 H ATOM 36 C ALA 3 7.160 13.214 -3.241 1.00 0.00 C ATOM 37 O ALA 3 6.566 13.239 -2.159 1.00 0.00 O ATOM 38 N LEU 4 7.078 12.163 -4.070 1.00 0.00 N ATOM 39 H LEU 4 7.600 12.168 -4.934 1.00 0.00 H ATOM 40 CA LEU 4 6.140 11.050 -3.843 1.00 0.00 C ATOM 41 HA LEU 4 5.241 11.445 -3.364 1.00 0.00 H ATOM 42 CB LEU 4 5.716 10.458 -5.206 1.00 0.00 C ATOM 43 HB2 LEU 4 6.514 9.804 -5.562 1.00 0.00 H ATOM 44 HB3 LEU 4 4.839 9.832 -5.032 1.00 0.00 H ATOM 45 CG LEU 4 5.394 11.451 -6.345 1.00 0.00 C ATOM 46 HG LEU 4 6.323 11.904 -6.692 1.00 0.00 H ATOM 47 CD1 LEU 4 4.769 10.698 -7.520 1.00 0.00 C ATOM 48 HD11 LEU 4 5.442 9.904 -7.847 1.00 0.00 H ATOM 49 HD12 LEU 4 3.815 10.261 -7.223 1.00 0.00 H ATOM 50 HD13 LEU 4 4.608 11.382 -8.354 1.00 0.00 H ATOM 51 CD2 LEU 4 4.441 12.574 -5.932 1.00 0.00 C ATOM 52 HD21 LEU 4 3.538 12.157 -5.486 1.00 0.00 H ATOM 53 HD22 LEU 4 4.937 13.233 -5.220 1.00 0.00 H ATOM 54 HD23 LEU 4 4.175 13.170 -6.805 1.00 0.00 H ATOM 55 C LEU 4 6.679 9.927 -2.934 1.00 0.00 C ATOM 56 O LEU 4 5.899 9.253 -2.263 1.00 0.00 O ATOM 57 N TYR 5 8.003 9.720 -2.945 1.00 0.00 N ATOM 58 H TYR 5 8.573 10.208 -3.621 1.00 0.00 H ATOM 59 CA TYR 5 8.592 8.542 -2.278 1.00 0.00 C ATOM 60 HA TYR 5 8.049 7.678 -2.666 1.00 0.00 H ATOM 61 CB TYR 5 10.053 8.348 -2.739 1.00 0.00 C ATOM 62 HB2 TYR 5 10.300 7.292 -2.549 1.00 0.00 H ATOM 63 HB3 TYR 5 10.099 8.542 -3.821 1.00 0.00 H ATOM 64 CG TYR 5 11.148 9.177 -2.077 1.00 0.00 C ATOM 65 CD1 TYR 5 10.893 10.432 -1.483 1.00 0.00 C ATOM 66 HD1 TYR 5 9.897 10.850 -1.477 1.00 0.00 H ATOM 67 CE1 TYR 5 11.941 11.162 -0.888 1.00 0.00 C ATOM 68 HE1 TYR 5 11.745 12.121 -0.431 1.00 0.00 H ATOM 69 CZ TYR 5 13.256 10.652 -0.894 1.00 0.00 C ATOM 70 OH TYR 5 14.263 11.365 -0.318 1.00 0.00 O ATOM 71 HH TYR 5 15.131 10.942 -0.434 1.00 0.00 H ATOM 72 CE2 TYR 5 13.517 9.405 -1.503 1.00 0.00 C ATOM 73 HE2 TYR 5 14.526 9.016 -1.525 1.00 0.00 H ATOM 74 CD2 TYR 5 12.465 8.674 -2.089 1.00 0.00 C ATOM 75 HD2 TYR 5 12.672 7.720 -2.557 1.00 0.00 H ATOM 76 C TYR 5 8.423 8.460 -0.740 1.00 0.00 C ATOM 77 O TYR 5 8.001 9.410 -0.075 1.00 0.00 O ATOM 78 N LYS 6 8.797 7.296 -0.194 1.00 0.00 N ATOM 79 H LYS 6 9.265 6.607 -0.777 1.00 0.00 H ATOM 80 CA LYS 6 8.775 7.045 1.263 1.00 0.00 C ATOM 81 HA LYS 6 8.934 5.970 1.365 1.00 0.00 H ATOM 82 CB LYS 6 9.991 7.698 1.952 1.00 0.00 C ATOM 83 HB2 LYS 6 9.943 8.790 1.860 1.00 0.00 H ATOM 84 HB3 LYS 6 9.979 7.401 3.001 1.00 0.00 H ATOM 85 CG LYS 6 11.300 7.183 1.338 1.00 0.00 C ATOM 86 HG2 LYS 6 11.222 6.101 1.237 1.00 0.00 H ATOM 87 HG3 LYS 6 11.432 7.631 0.354 1.00 0.00 H ATOM 88 CD LYS 6 12.534 7.489 2.196 1.00 0.00 C ATOM 89 HD2 LYS 6 12.517 8.542 2.482 1.00 0.00 H ATOM 90 HD3 LYS 6 12.489 6.886 3.103 1.00 0.00 H ATOM 91 CE LYS 6 13.850 7.206 1.453 1.00 0.00 C ATOM 92 HE2 LYS 6 13.963 7.954 0.664 1.00 0.00 H ATOM 93 HE3 LYS 6 14.680 7.343 2.154 1.00 0.00 H ATOM 94 NZ LYS 6 13.907 5.844 0.856 1.00 0.00 N ATOM 95 HZ1 LYS 6 13.158 5.723 0.178 1.00 0.00 H ATOM 96 HZ2 LYS 6 14.786 5.689 0.378 1.00 0.00 H ATOM 97 HZ3 LYS 6 13.799 5.107 1.547 1.00 0.00 H ATOM 98 C LYS 6 7.438 7.246 1.994 1.00 0.00 C ATOM 99 O LYS 6 7.397 7.745 3.119 1.00 0.00 O ATOM 100 N THR 7 6.342 6.810 1.368 1.00 0.00 N ATOM 101 H THR 7 6.403 6.498 0.410 1.00 0.00 H ATOM 102 CA THR 7 5.040 6.660 2.063 1.00 0.00 C ATOM 103 HA THR 7 5.032 7.275 2.962 1.00 0.00 H ATOM 104 CB THR 7 3.852 7.105 1.207 1.00 0.00 C ATOM 105 HB THR 7 2.967 7.058 1.843 1.00 0.00 H ATOM 106 CG2 THR 7 3.968 8.535 0.695 1.00 0.00 C ATOM 107 HG21 THR 7 3.143 8.732 0.013 1.00 0.00 H ATOM 108 HG22 THR 7 3.909 9.226 1.531 1.00 0.00 H ATOM 109 HG23 THR 7 4.910 8.655 0.163 1.00 0.00 H ATOM 110 OG1 THR 7 3.687 6.261 0.077 1.00 0.00 O ATOM 111 HG1 THR 7 3.256 5.437 0.366 1.00 0.00 H ATOM 112 C THR 7 4.813 5.202 2.499 1.00 0.00 C ATOM 113 O THR 7 3.841 4.899 3.200 1.00 0.00 O ATOM 114 N GLU 8 5.736 4.305 2.111 1.00 0.00 N ATOM 115 H GLU 8 6.551 4.626 1.615 1.00 0.00 H ATOM 116 CA GLU 8 5.712 2.916 2.584 1.00 0.00 C ATOM 117 HA GLU 8 5.160 2.906 3.527 1.00 0.00 H ATOM 118 CB GLU 8 4.844 2.070 1.655 1.00 0.00 C ATOM 119 HB2 GLU 8 3.817 2.425 1.726 1.00 0.00 H ATOM 120 HB3 GLU 8 5.171 2.181 0.631 1.00 0.00 H ATOM 121 CG GLU 8 4.932 0.590 2.020 1.00 0.00 C ATOM 122 HG2 GLU 8 5.887 0.275 1.595 1.00 0.00 H ATOM 123 HG3 GLU 8 4.988 0.499 3.117 1.00 0.00 H ATOM 124 CD GLU 8 3.749 -0.237 1.471 1.00 0.00 C ATOM 125 OE1 GLU 8 3.958 -1.144 0.624 1.00 0.00 O ATOM 126 OE2 GLU 8 2.588 0.005 1.894 1.00 0.00 O ATOM 127 C GLU 8 7.041 2.258 3.011 1.00 0.00 C ATOM 128 O GLU 8 8.053 2.528 2.349 1.00 0.00 O ATOM 129 N LEU 9 7.148 1.459 4.105 1.00 0.00 N ATOM 130 H LEU 9 6.280 1.317 4.618 1.00 0.00 H ATOM 131 CA LEU 9 8.420 0.851 4.500 1.00 0.00 C ATOM 132 HA LEU 9 9.189 1.617 4.498 1.00 0.00 H ATOM 133 CB LEU 9 8.296 0.226 5.914 1.00 0.00 C ATOM 134 HB2 LEU 9 8.130 -0.846 5.804 1.00 0.00 H ATOM 135 HB3 LEU 9 9.264 0.336 6.402 1.00 0.00 H ATOM 136 CG LEU 9 7.196 0.750 6.854 1.00 0.00 C ATOM 137 HG LEU 9 6.240 0.548 6.428 1.00 0.00 H ATOM 138 CD1 LEU 9 7.267 0.009 8.180 1.00 0.00 C ATOM 139 HD11 LEU 9 8.239 0.171 8.668 1.00 0.00 H ATOM 140 HD12 LEU 9 6.446 0.340 8.833 1.00 0.00 H ATOM 141 HD13 LEU 9 7.135 -1.058 7.961 1.00 0.00 H ATOM 142 CD2 LEU 9 7.290 2.248 7.100 1.00 0.00 C ATOM 143 HD21 LEU 9 6.995 2.756 6.182 1.00 0.00 H ATOM 144 HD22 LEU 9 6.570 2.546 7.858 1.00 0.00 H ATOM 145 HD23 LEU 9 8.307 2.524 7.378 1.00 0.00 H ATOM 146 C LEU 9 8.853 -0.265 3.528 1.00 0.00 C ATOM 147 O LEU 9 7.989 -0.906 2.931 1.00 0.00 O HETATM 148 N CY3 10 10.162 -0.545 3.432 1.00 0.00 N HETATM 149 H CY3 10 10.824 0.010 3.930 1.00 0.00 H HETATM 150 CA CY3 10 10.651 -1.703 2.685 1.00 0.00 C HETATM 151 HA CY3 10 10.326 -1.575 1.654 1.00 0.00 H HETATM 152 CB CY3 10 12.194 -1.780 2.676 1.00 0.00 C HETATM 153 HB3 CY3 10 12.489 -2.405 1.816 1.00 0.00 H HETATM 154 HB2 CY3 10 12.518 -2.266 3.607 1.00 0.00 H HETATM 155 SG CY3 10 13.011 -0.155 2.544 1.00 0.00 S HETATM 156 C CY3 10 10.060 -3.010 3.243 1.00 0.00 C HETATM 157 O CY3 10 10.053 -3.209 4.467 1.00 0.00 O ATOM 158 N ARG 11 9.614 -3.938 2.387 1.00 0.00 N ATOM 159 H ARG 11 9.643 -3.753 1.396 1.00 0.00 H ATOM 160 CA ARG 11 8.849 -5.114 2.843 1.00 0.00 C ATOM 161 HA ARG 11 7.957 -4.739 3.351 1.00 0.00 H ATOM 162 CB ARG 11 8.420 -5.927 1.611 1.00 0.00 C ATOM 163 HB2 ARG 11 8.235 -5.260 0.769 1.00 0.00 H ATOM 164 HB3 ARG 11 9.223 -6.612 1.330 1.00 0.00 H ATOM 165 CG ARG 11 7.129 -6.709 1.867 1.00 0.00 C ATOM 166 HG2 ARG 11 7.241 -7.341 2.741 1.00 0.00 H ATOM 167 HG3 ARG 11 6.329 -5.994 2.053 1.00 0.00 H ATOM 168 CD ARG 11 6.743 -7.566 0.660 1.00 0.00 C ATOM 169 HD2 ARG 11 5.700 -7.817 0.773 1.00 0.00 H ATOM 170 HD3 ARG 11 6.832 -6.979 -0.255 1.00 0.00 H ATOM 171 NE ARG 11 7.540 -8.803 0.594 1.00 0.00 N ATOM 172 HE ARG 11 7.312 -9.534 1.260 1.00 0.00 H ATOM 173 CZ ARG 11 8.574 -9.078 -0.175 1.00 0.00 C ATOM 174 NH1 ARG 11 9.033 -8.279 -1.092 1.00 0.00 N ATOM 175 HH11 ARG 11 9.885 -8.519 -1.584 1.00 0.00 H ATOM 176 HH12 ARG 11 8.589 -7.399 -1.278 1.00 0.00 H ATOM 177 NH2 ARG 11 9.189 -10.208 -0.009 1.00 0.00 N ATOM 178 HH21 ARG 11 9.981 -10.428 -0.600 1.00 0.00 H ATOM 179 HH22 ARG 11 8.863 -10.827 0.728 1.00 0.00 H ATOM 180 C ARG 11 9.607 -6.014 3.826 1.00 0.00 C ATOM 181 O ARG 11 8.999 -6.473 4.800 1.00 0.00 O ATOM 182 N SER 12 10.903 -6.263 3.598 1.00 0.00 N ATOM 183 H SER 12 11.363 -5.719 2.904 1.00 0.00 H ATOM 184 CA SER 12 11.753 -7.023 4.542 1.00 0.00 C ATOM 185 HA SER 12 11.469 -8.061 4.498 1.00 0.00 H ATOM 186 CB SER 12 13.203 -6.900 4.076 1.00 0.00 C ATOM 187 HB2 SER 12 13.528 -5.866 4.212 1.00 0.00 H ATOM 188 HB3 SER 12 13.853 -7.551 4.661 1.00 0.00 H ATOM 189 OG SER 12 13.317 -7.230 2.699 1.00 0.00 O ATOM 190 HG SER 12 14.149 -6.852 2.365 1.00 0.00 H ATOM 191 C SER 12 11.713 -6.572 6.017 1.00 0.00 C ATOM 192 O SER 12 12.080 -7.364 6.886 1.00 0.00 O ATOM 193 N TRP 13 11.256 -5.348 6.319 1.00 0.00 N ATOM 194 H TRP 13 11.198 -4.643 5.594 1.00 0.00 H ATOM 195 CA TRP 13 10.987 -4.925 7.703 1.00 0.00 C ATOM 196 HA TRP 13 11.934 -4.827 8.236 1.00 0.00 H ATOM 197 CB TRP 13 10.317 -3.544 7.642 1.00 0.00 C ATOM 198 HB2 TRP 13 10.950 -2.879 7.053 1.00 0.00 H ATOM 199 HB3 TRP 13 9.367 -3.630 7.112 1.00 0.00 H ATOM 200 CG TRP 13 10.063 -2.860 8.951 1.00 0.00 C ATOM 201 CD1 TRP 13 8.914 -2.923 9.661 1.00 0.00 C ATOM 202 HD1 TRP 13 8.032 -3.484 9.367 1.00 0.00 H ATOM 203 NE1 TRP 13 9.030 -2.159 10.807 1.00 0.00 N ATOM 204 HE1 TRP 13 8.285 -2.063 11.489 1.00 0.00 H ATOM 205 CE2 TRP 13 10.271 -1.566 10.897 1.00 0.00 C ATOM 206 CZ2 TRP 13 10.861 -0.716 11.846 1.00 0.00 C ATOM 207 HZ2 TRP 13 10.309 -0.414 12.725 1.00 0.00 H ATOM 208 CH2 TRP 13 12.180 -0.274 11.642 1.00 0.00 C ATOM 209 HH2 TRP 13 12.654 0.378 12.366 1.00 0.00 H ATOM 210 CZ3 TRP 13 12.884 -0.679 10.492 1.00 0.00 C ATOM 211 HZ3 TRP 13 13.897 -0.331 10.335 1.00 0.00 H ATOM 212 CE3 TRP 13 12.280 -1.529 9.544 1.00 0.00 C ATOM 213 HE3 TRP 13 12.831 -1.831 8.664 1.00 0.00 H ATOM 214 CD2 TRP 13 10.959 -2.000 9.723 1.00 0.00 C ATOM 215 C TRP 13 10.109 -5.930 8.475 1.00 0.00 C ATOM 216 O TRP 13 10.390 -6.209 9.642 1.00 0.00 O ATOM 217 N GLU 14 9.104 -6.517 7.816 1.00 0.00 N ATOM 218 H GLU 14 8.883 -6.227 6.869 1.00 0.00 H ATOM 219 CA GLU 14 8.295 -7.598 8.407 1.00 0.00 C ATOM 220 HA GLU 14 8.216 -7.446 9.484 1.00 0.00 H ATOM 221 CB GLU 14 6.888 -7.507 7.785 1.00 0.00 C ATOM 222 HB2 GLU 14 6.487 -6.508 7.958 1.00 0.00 H ATOM 223 HB3 GLU 14 6.982 -7.638 6.704 1.00 0.00 H ATOM 224 CG GLU 14 5.873 -8.545 8.295 1.00 0.00 C ATOM 225 HG2 GLU 14 4.919 -8.360 7.795 1.00 0.00 H ATOM 226 HG3 GLU 14 6.207 -9.537 7.978 1.00 0.00 H ATOM 227 CD GLU 14 5.648 -8.531 9.825 1.00 0.00 C ATOM 228 OE1 GLU 14 5.704 -7.450 10.462 1.00 0.00 O ATOM 229 OE2 GLU 14 5.364 -9.609 10.404 1.00 0.00 O ATOM 230 C GLU 14 8.880 -9.003 8.160 1.00 0.00 C ATOM 231 O GLU 14 8.889 -9.851 9.053 1.00 0.00 O ATOM 232 N GLU 15 9.376 -9.246 6.936 1.00 0.00 N ATOM 233 H GLU 15 9.346 -8.517 6.234 1.00 0.00 H ATOM 234 CA GLU 15 9.829 -10.585 6.510 1.00 0.00 C ATOM 235 HA GLU 15 9.058 -11.318 6.743 1.00 0.00 H ATOM 236 CB GLU 15 10.111 -10.587 5.004 1.00 0.00 C ATOM 237 HB2 GLU 15 11.025 -10.028 4.889 1.00 0.00 H ATOM 238 HB3 GLU 15 10.326 -11.610 4.667 1.00 0.00 H ATOM 239 CG GLU 15 9.058 -9.993 4.064 1.00 0.00 C ATOM 240 HG2 GLU 15 8.521 -9.166 4.553 1.00 0.00 H ATOM 241 HG3 GLU 15 9.627 -9.600 3.206 1.00 0.00 H ATOM 242 CD GLU 15 8.051 -11.054 3.578 1.00 0.00 C ATOM 243 OE1 GLU 15 7.814 -11.124 2.347 1.00 0.00 O ATOM 244 OE2 GLU 15 7.470 -11.787 4.410 1.00 0.00 O ATOM 245 C GLU 15 11.144 -11.059 7.153 1.00 0.00 C ATOM 246 O GLU 15 11.506 -12.238 7.044 1.00 0.00 O ATOM 247 N THR 16 11.887 -10.157 7.807 1.00 0.00 N ATOM 248 H THR 16 11.540 -9.220 7.927 1.00 0.00 H ATOM 249 CA THR 16 13.258 -10.436 8.256 1.00 0.00 C ATOM 250 HA THR 16 13.273 -11.434 8.672 1.00 0.00 H ATOM 251 CB THR 16 14.322 -10.477 7.102 1.00 0.00 C ATOM 252 HB THR 16 14.804 -11.453 7.161 1.00 0.00 H ATOM 253 CG2 THR 16 13.788 -10.355 5.666 1.00 0.00 C ATOM 254 HG21 THR 16 13.161 -9.478 5.556 1.00 0.00 H ATOM 255 HG22 THR 16 14.610 -10.302 4.956 1.00 0.00 H ATOM 256 HG23 THR 16 13.200 -11.231 5.411 1.00 0.00 H ATOM 257 OG1 THR 16 15.361 -9.519 7.198 1.00 0.00 O ATOM 258 HG1 THR 16 16.028 -9.864 7.818 1.00 0.00 H ATOM 259 C THR 16 13.634 -9.470 9.406 1.00 0.00 C ATOM 260 O THR 16 13.773 -9.898 10.552 1.00 0.00 O ATOM 261 N GLY 17 13.784 -8.179 9.079 1.00 0.00 N ATOM 262 H GLY 17 13.732 -7.910 8.108 1.00 0.00 H ATOM 263 CA GLY 17 14.235 -7.157 10.043 1.00 0.00 C ATOM 264 HA2 GLY 17 13.361 -6.682 10.501 1.00 0.00 H ATOM 265 HA3 GLY 17 14.859 -7.622 10.812 1.00 0.00 H ATOM 266 C GLY 17 15.106 -6.051 9.383 1.00 0.00 C ATOM 267 O GLY 17 15.198 -4.950 9.935 1.00 0.00 O ATOM 268 N SER 18 15.678 -6.335 8.204 1.00 0.00 N ATOM 269 H SER 18 15.537 -7.249 7.792 1.00 0.00 H ATOM 270 CA SER 18 16.531 -5.371 7.480 1.00 0.00 C ATOM 271 HA SER 18 16.263 -4.344 7.710 1.00 0.00 H ATOM 272 CB SER 18 17.999 -5.522 7.841 1.00 0.00 C ATOM 273 HB2 SER 18 18.348 -6.486 7.514 1.00 0.00 H ATOM 274 HB3 SER 18 18.566 -4.750 7.295 1.00 0.00 H ATOM 275 OG SER 18 18.254 -5.388 9.258 1.00 0.00 O ATOM 276 HG SER 18 18.052 -4.468 9.516 1.00 0.00 H ATOM 277 C SER 18 16.434 -5.512 5.960 1.00 0.00 C ATOM 278 O SER 18 16.523 -6.601 5.410 1.00 0.00 O HETATM 279 N CY3 19 16.219 -4.370 5.260 1.00 0.00 N HETATM 280 H CY3 19 15.940 -3.495 5.769 1.00 0.00 H HETATM 281 CA CY3 19 16.222 -4.370 3.798 1.00 0.00 C HETATM 282 HA CY3 19 15.469 -5.087 3.436 1.00 0.00 H HETATM 283 CB CY3 19 15.747 -2.948 3.428 1.00 0.00 C HETATM 284 HB3 CY3 19 16.502 -2.236 3.796 1.00 0.00 H HETATM 285 HB2 CY3 19 14.775 -2.726 3.890 1.00 0.00 H HETATM 286 SG CY3 19 15.590 -2.730 1.628 1.00 0.00 S HETATM 287 C CY3 19 17.615 -4.695 3.194 1.00 0.00 C HETATM 288 O CY3 19 18.666 -4.321 3.739 1.00 0.00 O ATOM 289 N ARG 20 17.634 -5.370 2.025 1.00 0.00 N ATOM 290 H ARG 20 16.730 -5.611 1.646 1.00 0.00 H ATOM 291 CA ARG 20 18.833 -5.630 1.201 1.00 0.00 C ATOM 292 HA ARG 20 19.715 -5.628 1.840 1.00 0.00 H ATOM 293 CB ARG 20 18.708 -7.010 0.522 1.00 0.00 C ATOM 294 HB2 ARG 20 17.725 -7.087 0.052 1.00 0.00 H ATOM 295 HB3 ARG 20 19.455 -7.093 -0.269 1.00 0.00 H ATOM 296 CG ARG 20 18.871 -8.198 1.486 1.00 0.00 C ATOM 297 HG2 ARG 20 18.111 -8.123 2.272 1.00 0.00 H ATOM 298 HG3 ARG 20 18.722 -9.116 0.905 1.00 0.00 H ATOM 299 CD ARG 20 20.250 -8.291 2.165 1.00 0.00 C ATOM 300 HD2 ARG 20 20.389 -7.425 2.814 1.00 0.00 H ATOM 301 HD3 ARG 20 20.265 -9.172 2.809 1.00 0.00 H ATOM 302 NE ARG 20 21.360 -8.354 1.190 1.00 0.00 N ATOM 303 HE ARG 20 21.811 -7.482 0.962 1.00 0.00 H ATOM 304 CZ ARG 20 21.838 -9.427 0.587 1.00 0.00 C ATOM 305 NH1 ARG 20 22.817 -9.319 -0.264 1.00 0.00 N ATOM 306 HH11 ARG 20 23.217 -8.417 -0.466 1.00 0.00 H ATOM 307 HH12 ARG 20 23.185 -10.136 -0.722 1.00 0.00 H ATOM 308 NH2 ARG 20 21.365 -10.621 0.809 1.00 0.00 N ATOM 309 HH21 ARG 20 20.630 -10.738 1.482 1.00 0.00 H ATOM 310 HH22 ARG 20 21.755 -11.421 0.340 1.00 0.00 H ATOM 311 C ARG 20 19.092 -4.535 0.159 1.00 0.00 C ATOM 312 O ARG 20 20.227 -4.077 0.031 1.00 0.00 O ATOM 313 N TYR 21 18.051 -4.115 -0.562 1.00 0.00 N ATOM 314 H TYR 21 17.158 -4.584 -0.475 1.00 0.00 H ATOM 315 CA TYR 21 18.169 -3.013 -1.534 1.00 0.00 C ATOM 316 HA TYR 21 19.004 -3.241 -2.198 1.00 0.00 H ATOM 317 CB TYR 21 16.909 -2.902 -2.402 1.00 0.00 C ATOM 318 HB2 TYR 21 16.037 -2.775 -1.747 1.00 0.00 H ATOM 319 HB3 TYR 21 17.024 -2.017 -3.039 1.00 0.00 H ATOM 320 CG TYR 21 16.674 -4.076 -3.338 1.00 0.00 C ATOM 321 CD1 TYR 21 15.474 -4.808 -3.270 1.00 0.00 C ATOM 322 HD1 TYR 21 14.721 -4.544 -2.538 1.00 0.00 H ATOM 323 CE1 TYR 21 15.244 -5.872 -4.163 1.00 0.00 C ATOM 324 HE1 TYR 21 14.325 -6.433 -4.112 1.00 0.00 H ATOM 325 CZ TYR 21 16.213 -6.208 -5.133 1.00 0.00 C ATOM 326 OH TYR 21 15.996 -7.237 -5.998 1.00 0.00 O ATOM 327 HH TYR 21 15.137 -7.668 -5.850 1.00 0.00 H ATOM 328 CE2 TYR 21 17.412 -5.467 -5.208 1.00 0.00 C ATOM 329 HE2 TYR 21 18.148 -5.721 -5.957 1.00 0.00 H ATOM 330 CD2 TYR 21 17.637 -4.401 -4.316 1.00 0.00 C ATOM 331 HD2 TYR 21 18.550 -3.824 -4.392 1.00 0.00 H ATOM 332 C TYR 21 18.514 -1.668 -0.868 1.00 0.00 C ATOM 333 O TYR 21 19.243 -0.877 -1.468 1.00 0.00 O ATOM 334 N GLY 22 18.082 -1.424 0.387 1.00 0.00 N ATOM 335 H GLY 22 17.450 -2.067 0.832 1.00 0.00 H ATOM 336 CA GLY 22 18.530 -0.289 1.207 1.00 0.00 C ATOM 337 HA2 GLY 22 17.870 -0.180 2.060 1.00 0.00 H ATOM 338 HA3 GLY 22 19.508 -0.546 1.615 1.00 0.00 H ATOM 339 C GLY 22 18.654 1.072 0.500 1.00 0.00 C ATOM 340 O GLY 22 17.680 1.618 -0.010 1.00 0.00 O ATOM 341 N ASN 23 19.867 1.638 0.462 1.00 0.00 N ATOM 342 H ASN 23 20.634 1.141 0.890 1.00 0.00 H ATOM 343 CA ASN 23 20.138 2.952 -0.147 1.00 0.00 C ATOM 344 HA ASN 23 19.447 3.679 0.285 1.00 0.00 H ATOM 345 CB ASN 23 21.575 3.380 0.212 1.00 0.00 C ATOM 346 HB2 ASN 23 22.277 2.646 -0.187 1.00 0.00 H ATOM 347 HB3 ASN 23 21.795 4.337 -0.262 1.00 0.00 H ATOM 348 CG ASN 23 21.797 3.549 1.708 1.00 0.00 C ATOM 349 OD1 ASN 23 21.027 4.188 2.412 1.00 0.00 O ATOM 350 ND2 ASN 23 22.853 2.982 2.248 1.00 0.00 N ATOM 351 HD21 ASN 23 23.005 3.098 3.239 1.00 0.00 H ATOM 352 HD22 ASN 23 23.509 2.468 1.679 1.00 0.00 H ATOM 353 C ASN 23 19.922 2.998 -1.678 1.00 0.00 C ATOM 354 O ASN 23 19.661 4.074 -2.223 1.00 0.00 O ATOM 355 N LYS 24 19.994 1.847 -2.369 1.00 0.00 N ATOM 356 H LYS 24 20.263 0.994 -1.891 1.00 0.00 H ATOM 357 CA LYS 24 19.637 1.749 -3.804 1.00 0.00 C ATOM 358 HA LYS 24 19.991 2.641 -4.323 1.00 0.00 H ATOM 359 CB LYS 24 20.337 0.524 -4.424 1.00 0.00 C ATOM 360 HB2 LYS 24 19.989 -0.380 -3.923 1.00 0.00 H ATOM 361 HB3 LYS 24 20.053 0.455 -5.475 1.00 0.00 H ATOM 362 CG LYS 24 21.873 0.600 -4.336 1.00 0.00 C ATOM 363 HG2 LYS 24 22.230 1.440 -4.933 1.00 0.00 H ATOM 364 HG3 LYS 24 22.173 0.772 -3.303 1.00 0.00 H ATOM 365 CD LYS 24 22.551 -0.700 -4.798 1.00 0.00 C ATOM 366 HD2 LYS 24 23.625 -0.612 -4.632 1.00 0.00 H ATOM 367 HD3 LYS 24 22.188 -1.510 -4.162 1.00 0.00 H ATOM 368 CE LYS 24 22.294 -1.079 -6.266 1.00 0.00 C ATOM 369 HE2 LYS 24 22.706 -2.079 -6.435 1.00 0.00 H ATOM 370 HE3 LYS 24 21.216 -1.137 -6.439 1.00 0.00 H ATOM 371 NZ LYS 24 22.920 -0.122 -7.218 1.00 0.00 N ATOM 372 HZ1 LYS 24 23.920 -0.066 -7.078 1.00 0.00 H ATOM 373 HZ2 LYS 24 22.765 -0.411 -8.175 1.00 0.00 H ATOM 374 HZ3 LYS 24 22.538 0.809 -7.117 1.00 0.00 H ATOM 375 C LYS 24 18.115 1.686 -4.050 1.00 0.00 C ATOM 376 O LYS 24 17.680 1.626 -5.203 1.00 0.00 O HETATM 377 N CY3 25 17.315 1.690 -2.982 1.00 0.00 N HETATM 378 H CY3 25 17.754 1.761 -2.076 1.00 0.00 H HETATM 379 CA CY3 25 15.872 1.516 -2.964 1.00 0.00 C HETATM 380 HA CY3 25 15.543 1.251 -3.965 1.00 0.00 H HETATM 381 CB CY3 25 15.597 0.287 -2.068 1.00 0.00 C HETATM 382 HB3 CY3 25 16.529 -0.027 -1.598 1.00 0.00 H HETATM 383 HB2 CY3 25 15.245 -0.542 -2.687 1.00 0.00 H HETATM 384 SG CY3 25 14.385 0.635 -0.755 1.00 0.00 S HETATM 385 C CY3 25 15.117 2.823 -2.588 1.00 0.00 C HETATM 386 O CY3 25 15.626 3.689 -1.864 1.00 0.00 O ATOM 387 N GLN 26 13.875 2.933 -3.077 1.00 0.00 N ATOM 388 H GLN 26 13.571 2.307 -3.814 1.00 0.00 H ATOM 389 CA GLN 26 13.053 4.123 -2.803 1.00 0.00 C ATOM 390 HA GLN 26 13.707 4.992 -2.722 1.00 0.00 H ATOM 391 CB GLN 26 12.112 4.383 -3.994 1.00 0.00 C ATOM 392 HB2 GLN 26 11.583 3.456 -4.246 1.00 0.00 H ATOM 393 HB3 GLN 26 11.393 5.164 -3.719 1.00 0.00 H ATOM 394 CG GLN 26 12.906 4.875 -5.216 1.00 0.00 C ATOM 395 HG2 GLN 26 13.338 5.852 -4.998 1.00 0.00 H ATOM 396 HG3 GLN 26 13.730 4.191 -5.411 1.00 0.00 H ATOM 397 CD GLN 26 12.052 4.996 -6.478 1.00 0.00 C ATOM 398 OE1 GLN 26 10.957 5.544 -6.479 1.00 0.00 O ATOM 399 NE2 GLN 26 12.526 4.505 -7.604 1.00 0.00 N ATOM 400 HE21 GLN 26 11.971 4.592 -8.441 1.00 0.00 H ATOM 401 HE22 GLN 26 13.411 4.006 -7.604 1.00 0.00 H ATOM 402 C GLN 26 12.269 4.068 -1.483 1.00 0.00 C ATOM 403 O GLN 26 11.824 5.119 -1.024 1.00 0.00 O ATOM 404 N PHE 27 12.169 2.906 -0.834 1.00 0.00 N ATOM 405 H PHE 27 12.862 2.185 -1.000 1.00 0.00 H ATOM 406 CA PHE 27 11.245 2.714 0.297 1.00 0.00 C ATOM 407 HA PHE 27 10.383 3.366 0.190 1.00 0.00 H ATOM 408 CB PHE 27 10.714 1.270 0.263 1.00 0.00 C ATOM 409 HB2 PHE 27 11.556 0.583 0.215 1.00 0.00 H ATOM 410 HB3 PHE 27 10.199 1.080 1.203 1.00 0.00 H ATOM 411 CG PHE 27 9.761 0.921 -0.871 1.00 0.00 C ATOM 412 CD1 PHE 27 10.227 0.776 -2.195 1.00 0.00 C ATOM 413 HD1 PHE 27 11.274 0.920 -2.419 1.00 0.00 H ATOM 414 CE1 PHE 27 9.338 0.418 -3.226 1.00 0.00 C ATOM 415 HE1 PHE 27 9.697 0.305 -4.239 1.00 0.00 H ATOM 416 CZ PHE 27 7.983 0.178 -2.935 1.00 0.00 C ATOM 417 HZ PHE 27 7.301 -0.120 -3.721 1.00 0.00 H ATOM 418 CE2 PHE 27 7.520 0.298 -1.614 1.00 0.00 C ATOM 419 HE2 PHE 27 6.483 0.094 -1.384 1.00 0.00 H ATOM 420 CD2 PHE 27 8.403 0.674 -0.588 1.00 0.00 C ATOM 421 HD2 PHE 27 8.040 0.747 0.426 1.00 0.00 H ATOM 422 C PHE 27 11.858 3.039 1.674 1.00 0.00 C ATOM 423 O PHE 27 13.075 3.230 1.802 1.00 0.00 O ATOM 424 N ALA 28 11.007 3.385 2.653 1.00 0.00 N ATOM 425 H ALA 28 10.017 3.230 2.529 1.00 0.00 H ATOM 426 CA ALA 28 11.471 3.878 3.953 1.00 0.00 C ATOM 427 HA ALA 28 12.230 4.643 3.793 1.00 0.00 H ATOM 428 CB ALA 28 10.279 4.536 4.662 1.00 0.00 C ATOM 429 HB1 ALA 28 9.896 5.363 4.068 1.00 0.00 H ATOM 430 HB2 ALA 28 9.484 3.805 4.811 1.00 0.00 H ATOM 431 HB3 ALA 28 10.588 4.912 5.635 1.00 0.00 H ATOM 432 C ALA 28 12.088 2.766 4.831 1.00 0.00 C ATOM 433 O ALA 28 11.460 1.734 5.083 1.00 0.00 O ATOM 434 N HIS 29 13.278 3.008 5.391 1.00 0.00 N ATOM 435 H HIS 29 13.744 3.879 5.189 1.00 0.00 H ATOM 436 CA HIS 29 13.944 2.090 6.330 1.00 0.00 C ATOM 437 HA HIS 29 13.668 1.074 6.045 1.00 0.00 H ATOM 438 CB HIS 29 15.475 2.170 6.169 1.00 0.00 C ATOM 439 HB2 HIS 29 15.822 3.170 6.430 1.00 0.00 H ATOM 440 HB3 HIS 29 15.947 1.452 6.841 1.00 0.00 H ATOM 441 CG HIS 29 15.878 1.848 4.749 1.00 0.00 C ATOM 442 ND1 HIS 29 16.141 2.757 3.745 1.00 0.00 N ATOM 443 HD1 HIS 29 16.282 3.752 3.868 1.00 0.00 H ATOM 444 CE1 HIS 29 16.003 2.130 2.563 1.00 0.00 C ATOM 445 HE1 HIS 29 16.026 2.631 1.601 1.00 0.00 H ATOM 446 NE2 HIS 29 15.711 0.837 2.761 1.00 0.00 N ATOM 447 CD2 HIS 29 15.635 0.645 4.142 1.00 0.00 C ATOM 448 HD2 HIS 29 15.264 -0.234 4.651 1.00 0.00 H ATOM 449 C HIS 29 13.404 2.267 7.762 1.00 0.00 C ATOM 450 O HIS 29 14.123 2.642 8.694 1.00 0.00 O ATOM 451 N GLY 30 12.100 2.009 7.906 1.00 0.00 N ATOM 452 H GLY 30 11.606 1.727 7.067 1.00 0.00 H ATOM 453 CA GLY 30 11.308 2.170 9.127 1.00 0.00 C ATOM 454 HA2 GLY 30 10.544 1.384 9.139 1.00 0.00 H ATOM 455 HA3 GLY 30 11.961 2.068 10.002 1.00 0.00 H ATOM 456 C GLY 30 10.597 3.526 9.238 1.00 0.00 C ATOM 457 O GLY 30 10.746 4.422 8.401 1.00 0.00 O ATOM 458 N LYS 31 9.795 3.650 10.304 1.00 0.00 N ATOM 459 H LYS 31 9.722 2.882 10.959 1.00 0.00 H ATOM 460 CA LYS 31 8.876 4.806 10.500 1.00 0.00 C ATOM 461 HA LYS 31 8.322 4.968 9.574 1.00 0.00 H ATOM 462 CB LYS 31 7.828 4.458 11.569 1.00 0.00 C ATOM 463 HB2 LYS 31 8.288 4.451 12.558 1.00 0.00 H ATOM 464 HB3 LYS 31 7.041 5.215 11.551 1.00 0.00 H ATOM 465 CG LYS 31 7.221 3.084 11.274 1.00 0.00 C ATOM 466 HG2 LYS 31 7.103 2.998 10.194 1.00 0.00 H ATOM 467 HG3 LYS 31 7.943 2.329 11.586 1.00 0.00 H ATOM 468 CD LYS 31 5.856 2.851 11.940 1.00 0.00 C ATOM 469 HD2 LYS 31 5.150 3.576 11.524 1.00 0.00 H ATOM 470 HD3 LYS 31 5.496 1.856 11.674 1.00 0.00 H ATOM 471 CE LYS 31 5.858 3.004 13.470 1.00 0.00 C ATOM 472 HE2 LYS 31 6.270 3.983 13.732 1.00 0.00 H ATOM 473 HE3 LYS 31 4.819 2.985 13.815 1.00 0.00 H ATOM 474 NZ LYS 31 6.622 1.925 14.151 1.00 0.00 N ATOM 475 HZ1 LYS 31 7.597 1.932 13.887 1.00 0.00 H ATOM 476 HZ2 LYS 31 6.581 2.031 15.157 1.00 0.00 H ATOM 477 HZ3 LYS 31 6.243 1.013 13.930 1.00 0.00 H ATOM 478 C LYS 31 9.555 6.142 10.829 1.00 0.00 C ATOM 479 O LYS 31 8.881 7.123 11.138 1.00 0.00 O ATOM 480 N GLU 32 10.877 6.195 10.701 1.00 0.00 N ATOM 481 H GLU 32 11.374 5.379 10.391 1.00 0.00 H ATOM 482 CA GLU 32 11.650 7.444 10.853 1.00 0.00 C ATOM 483 HA GLU 32 11.105 8.150 11.481 1.00 0.00 H ATOM 484 CB GLU 32 12.993 7.126 11.537 1.00 0.00 C ATOM 485 HB2 GLU 32 13.586 6.496 10.872 1.00 0.00 H ATOM 486 HB3 GLU 32 13.541 8.057 11.683 1.00 0.00 H ATOM 487 CG GLU 32 12.874 6.411 12.896 1.00 0.00 C ATOM 488 HG2 GLU 32 12.519 5.392 12.721 1.00 0.00 H ATOM 489 HG3 GLU 32 13.876 6.327 13.324 1.00 0.00 H ATOM 490 CD GLU 32 11.951 7.127 13.909 1.00 0.00 C ATOM 491 OE1 GLU 32 11.138 6.444 14.580 1.00 0.00 O ATOM 492 OE2 GLU 32 12.050 8.368 14.074 1.00 0.00 O ATOM 493 C GLU 32 11.911 8.153 9.503 1.00 0.00 C ATOM 494 O GLU 32 12.279 9.330 9.505 1.00 0.00 O ATOM 495 N ASP 33 11.705 7.469 8.362 1.00 0.00 N ATOM 496 H ASP 33 11.233 6.576 8.402 1.00 0.00 H ATOM 497 CA ASP 33 11.867 8.096 7.027 1.00 0.00 C ATOM 498 HA ASP 33 12.276 9.102 7.123 1.00 0.00 H ATOM 499 CB ASP 33 12.843 7.272 6.160 1.00 0.00 C ATOM 500 HB2 ASP 33 12.379 6.295 5.974 1.00 0.00 H ATOM 501 HB3 ASP 33 12.977 7.807 5.211 1.00 0.00 H ATOM 502 CG ASP 33 14.251 7.034 6.740 1.00 0.00 C ATOM 503 OD1 ASP 33 14.765 7.853 7.540 1.00 0.00 O ATOM 504 OD2 ASP 33 14.883 6.033 6.324 1.00 0.00 O ATOM 505 C ASP 33 10.502 8.231 6.309 1.00 0.00 C ATOM 506 O ASP 33 10.442 8.579 5.130 1.00 0.00 O ATOM 507 N LEU 34 9.407 8.016 7.038 1.00 0.00 N ATOM 508 H LEU 34 9.419 7.654 7.968 1.00 0.00 H ATOM 509 CA LEU 34 8.085 7.804 6.604 1.00 0.00 C ATOM 510 HA LEU 34 8.075 7.599 5.531 1.00 0.00 H ATOM 511 CB LEU 34 7.865 6.526 7.445 1.00 0.00 C ATOM 512 HB2 LEU 34 8.694 5.829 7.286 1.00 0.00 H ATOM 513 HB3 LEU 34 7.902 6.785 8.505 1.00 0.00 H ATOM 514 CG LEU 34 6.604 5.734 7.199 1.00 0.00 C ATOM 515 HG LEU 34 6.672 4.820 7.776 1.00 0.00 H ATOM 516 CD1 LEU 34 5.432 6.543 7.688 1.00 0.00 C ATOM 517 HD11 LEU 34 4.706 5.879 8.149 1.00 0.00 H ATOM 518 HD12 LEU 34 5.840 7.235 8.436 1.00 0.00 H ATOM 519 HD13 LEU 34 4.985 7.086 6.852 1.00 0.00 H ATOM 520 CD2 LEU 34 6.623 5.428 5.719 1.00 0.00 C ATOM 521 HD21 LEU 34 5.904 4.605 5.480 1.00 0.00 H ATOM 522 HD22 LEU 34 6.372 6.311 5.163 1.00 0.00 H ATOM 523 HD23 LEU 34 7.656 5.176 5.474 1.00 0.00 H ATOM 524 C LEU 34 7.131 8.971 6.934 1.00 0.00 C ATOM 525 O LEU 34 7.359 9.698 7.906 1.00 0.00 O ATOM 526 N ARG 35 6.052 9.141 6.167 1.00 0.00 N ATOM 527 H ARG 35 5.903 8.500 5.392 1.00 0.00 H ATOM 528 CA ARG 35 5.003 10.151 6.407 1.00 0.00 C ATOM 529 HA ARG 35 4.894 10.271 7.485 1.00 0.00 H ATOM 530 CB ARG 35 5.452 11.510 5.817 1.00 0.00 C ATOM 531 HB2 ARG 35 4.567 12.149 5.678 1.00 0.00 H ATOM 532 HB3 ARG 35 6.134 11.982 6.538 1.00 0.00 H ATOM 533 CG ARG 35 6.203 11.444 4.471 1.00 0.00 C ATOM 534 HG2 ARG 35 6.240 12.451 4.054 1.00 0.00 H ATOM 535 HG3 ARG 35 7.230 11.117 4.643 1.00 0.00 H ATOM 536 CD ARG 35 5.556 10.494 3.457 1.00 0.00 C ATOM 537 HD2 ARG 35 5.685 9.457 3.794 1.00 0.00 H ATOM 538 HD3 ARG 35 4.486 10.677 3.431 1.00 0.00 H ATOM 539 NE ARG 35 6.126 10.676 2.113 1.00 0.00 N ATOM 540 HE ARG 35 6.885 10.065 1.841 1.00 0.00 H ATOM 541 CZ ARG 35 5.752 11.572 1.218 1.00 0.00 C ATOM 542 NH1 ARG 35 4.792 12.427 1.424 1.00 0.00 N ATOM 543 HH11 ARG 35 4.254 12.371 2.273 1.00 0.00 H ATOM 544 HH12 ARG 35 4.542 13.088 0.709 1.00 0.00 H ATOM 545 NH2 ARG 35 6.365 11.613 0.081 1.00 0.00 N ATOM 546 HH21 ARG 35 7.014 10.865 -0.134 1.00 0.00 H ATOM 547 HH22 ARG 35 6.149 12.310 -0.623 1.00 0.00 H ATOM 548 C ARG 35 3.619 9.721 5.867 1.00 0.00 C ATOM 549 O ARG 35 3.553 8.791 5.056 1.00 0.00 O ATOM 550 N PRO 36 2.519 10.390 6.269 1.00 0.00 N ATOM 551 CD PRO 36 2.406 11.211 7.470 1.00 0.00 C ATOM 552 HD2 PRO 36 2.650 12.249 7.236 1.00 0.00 H ATOM 553 HD3 PRO 36 3.028 10.840 8.285 1.00 0.00 H ATOM 554 CG PRO 36 0.938 11.120 7.872 1.00 0.00 C ATOM 555 HG2 PRO 36 0.615 11.973 8.472 1.00 0.00 H ATOM 556 HG3 PRO 36 0.740 10.183 8.397 1.00 0.00 H ATOM 557 CB PRO 36 0.252 11.087 6.518 1.00 0.00 C ATOM 558 HB2 PRO 36 0.185 12.106 6.128 1.00 0.00 H ATOM 559 HB3 PRO 36 -0.743 10.642 6.579 1.00 0.00 H ATOM 560 CA PRO 36 1.196 10.249 5.655 1.00 0.00 C ATOM 561 HA PRO 36 0.888 9.202 5.688 1.00 0.00 H ATOM 562 C PRO 36 1.139 10.727 4.192 1.00 0.00 C ATOM 563 O PRO 36 2.130 11.144 3.596 1.00 0.00 O ATOM 564 N VAL 37 -0.092 10.727 3.647 1.00 0.00 N ATOM 565 H VAL 37 -0.875 10.516 4.253 1.00 0.00 H ATOM 566 CA VAL 37 -0.352 11.142 2.262 1.00 0.00 C ATOM 567 HA VAL 37 0.170 12.080 2.066 1.00 0.00 H ATOM 568 CB VAL 37 0.145 10.076 1.254 1.00 0.00 C ATOM 569 HB VAL 37 1.206 9.903 1.432 1.00 0.00 H ATOM 570 CG1 VAL 37 -0.562 8.719 1.371 1.00 0.00 C ATOM 571 HG11 VAL 37 -0.451 8.331 2.383 1.00 0.00 H ATOM 572 HG12 VAL 37 -1.621 8.815 1.132 1.00 0.00 H ATOM 573 HG13 VAL 37 -0.107 8.009 0.679 1.00 0.00 H ATOM 574 CG2 VAL 37 0.024 10.548 -0.202 1.00 0.00 C ATOM 575 HG21 VAL 37 -1.022 10.611 -0.504 1.00 0.00 H ATOM 576 HG22 VAL 37 0.503 11.521 -0.317 1.00 0.00 H ATOM 577 HG23 VAL 37 0.532 9.837 -0.854 1.00 0.00 H ATOM 578 C VAL 37 -1.865 11.414 2.129 1.00 0.00 C ATOM 579 O VAL 37 -2.677 10.823 2.845 1.00 0.00 O ATOM 580 N ASN 38 -2.255 12.333 1.240 1.00 0.00 N ATOM 581 H ASN 38 -1.541 12.768 0.675 1.00 0.00 H ATOM 582 CA ASN 38 -3.658 12.720 1.055 1.00 0.00 C ATOM 583 HA ASN 38 -4.089 12.931 2.036 1.00 0.00 H ATOM 584 CB ASN 38 -3.742 14.017 0.223 1.00 0.00 C ATOM 585 HB2 ASN 38 -3.294 13.840 -0.755 1.00 0.00 H ATOM 586 HB3 ASN 38 -4.789 14.277 0.065 1.00 0.00 H ATOM 587 CG ASN 38 -3.069 15.208 0.890 1.00 0.00 C ATOM 588 OD1 ASN 38 -3.272 15.499 2.062 1.00 0.00 O ATOM 589 ND2 ASN 38 -2.243 15.939 0.173 1.00 0.00 N ATOM 590 HD21 ASN 38 -1.802 16.733 0.612 1.00 0.00 H ATOM 591 HD22 ASN 38 -2.080 15.724 -0.799 1.00 0.00 H ATOM 592 C ASN 38 -4.491 11.586 0.422 1.00 0.00 C ATOM 593 O ASN 38 -4.062 10.955 -0.550 1.00 0.00 O ATOM 594 N ARG 39 -5.698 11.368 0.964 1.00 0.00 N ATOM 595 H ARG 39 -5.984 11.905 1.772 1.00 0.00 H ATOM 596 CA ARG 39 -6.649 10.363 0.439 1.00 0.00 C ATOM 597 HA ARG 39 -6.507 10.276 -0.641 1.00 0.00 H ATOM 598 CB ARG 39 -6.350 8.969 1.052 1.00 0.00 C ATOM 599 HB2 ARG 39 -7.134 8.268 0.719 1.00 0.00 H ATOM 600 HB3 ARG 39 -5.374 8.646 0.655 1.00 0.00 H ATOM 601 CG ARG 39 -6.247 8.869 2.591 1.00 0.00 C ATOM 602 HG2 ARG 39 -5.991 7.838 2.840 1.00 0.00 H ATOM 603 HG3 ARG 39 -5.447 9.514 2.955 1.00 0.00 H ATOM 604 CD ARG 39 -7.555 9.226 3.302 1.00 0.00 C ATOM 605 HD2 ARG 39 -7.726 10.300 3.203 1.00 0.00 H ATOM 606 HD3 ARG 39 -8.357 8.663 2.820 1.00 0.00 H ATOM 607 NE ARG 39 -7.541 8.910 4.741 1.00 0.00 N ATOM 608 HE ARG 39 -6.681 8.561 5.135 1.00 0.00 H ATOM 609 CZ ARG 39 -8.552 9.101 5.572 1.00 0.00 C ATOM 610 NH1 ARG 39 -9.713 9.531 5.160 1.00 0.00 N ATOM 611 HH11 ARG 39 -9.857 9.683 4.169 1.00 0.00 H ATOM 612 HH12 ARG 39 -10.477 9.649 5.803 1.00 0.00 H ATOM 613 NH2 ARG 39 -8.416 8.859 6.843 1.00 0.00 N ATOM 614 HH21 ARG 39 -7.526 8.562 7.210 1.00 0.00 H ATOM 615 HH22 ARG 39 -9.178 9.034 7.476 1.00 0.00 H ATOM 616 C ARG 39 -8.106 10.822 0.624 1.00 0.00 C ATOM 617 O ARG 39 -8.359 11.764 1.377 1.00 0.00 O ATOM 618 N HIS 40 -9.044 10.200 -0.098 1.00 0.00 N ATOM 619 H HIS 40 -8.772 9.535 -0.799 1.00 0.00 H ATOM 620 CA HIS 40 -10.487 10.475 0.067 1.00 0.00 C ATOM 621 HA HIS 40 -10.710 11.403 -0.458 1.00 0.00 H ATOM 622 CB HIS 40 -11.297 9.339 -0.589 1.00 0.00 C ATOM 623 HB2 HIS 40 -11.116 8.417 -0.020 1.00 0.00 H ATOM 624 HB3 HIS 40 -12.362 9.604 -0.535 1.00 0.00 H ATOM 625 CG HIS 40 -10.980 9.051 -2.037 1.00 0.00 C ATOM 626 ND1 HIS 40 -11.034 7.811 -2.635 1.00 0.00 N ATOM 627 HD1 HIS 40 -11.211 6.920 -2.169 1.00 0.00 H ATOM 628 CE1 HIS 40 -10.815 7.960 -3.951 1.00 0.00 C ATOM 629 HE1 HIS 40 -10.804 7.139 -4.661 1.00 0.00 H ATOM 630 NE2 HIS 40 -10.622 9.261 -4.239 1.00 0.00 N ATOM 631 CD2 HIS 40 -10.741 9.964 -3.031 1.00 0.00 C ATOM 632 HD2 HIS 40 -10.691 11.037 -2.889 1.00 0.00 H ATOM 633 C HIS 40 -10.942 10.592 1.547 1.00 0.00 C ATOM 634 O HIS 40 -10.510 9.790 2.383 1.00 0.00 O ATOM 635 N PRO 41 -11.865 11.510 1.899 1.00 0.00 N ATOM 636 CD PRO 41 -12.284 12.673 1.130 1.00 0.00 C ATOM 637 HD2 PRO 41 -13.096 12.397 0.455 1.00 0.00 H ATOM 638 HD3 PRO 41 -11.458 13.116 0.574 1.00 0.00 H ATOM 639 CG PRO 41 -12.787 13.669 2.170 1.00 0.00 C ATOM 640 HG2 PRO 41 -13.508 14.366 1.745 1.00 0.00 H ATOM 641 HG3 PRO 41 -11.942 14.207 2.603 1.00 0.00 H ATOM 642 CB PRO 41 -13.412 12.757 3.225 1.00 0.00 C ATOM 643 HB2 PRO 41 -14.411 12.461 2.898 1.00 0.00 H ATOM 644 HB3 PRO 41 -13.451 13.243 4.203 1.00 0.00 H ATOM 645 CA PRO 41 -12.476 11.541 3.234 1.00 0.00 C ATOM 646 HA PRO 41 -11.694 11.701 3.977 1.00 0.00 H ATOM 647 C PRO 41 -13.228 10.241 3.565 1.00 0.00 C ATOM 648 O PRO 41 -13.138 9.729 4.682 1.00 0.00 O ATOM 649 N LYS 42 -13.900 9.664 2.560 1.00 0.00 N ATOM 650 H LYS 42 -13.918 10.175 1.687 1.00 0.00 H ATOM 651 CA LYS 42 -14.649 8.394 2.599 1.00 0.00 C ATOM 652 HA LYS 42 -15.117 8.314 3.581 1.00 0.00 H ATOM 653 CB LYS 42 -15.776 8.503 1.549 1.00 0.00 C ATOM 654 HB2 LYS 42 -16.241 9.480 1.676 1.00 0.00 H ATOM 655 HB3 LYS 42 -15.347 8.458 0.546 1.00 0.00 H ATOM 656 CG LYS 42 -16.898 7.459 1.666 1.00 0.00 C ATOM 657 HG2 LYS 42 -16.543 6.495 1.309 1.00 0.00 H ATOM 658 HG3 LYS 42 -17.209 7.372 2.708 1.00 0.00 H ATOM 659 CD LYS 42 -18.104 7.868 0.815 1.00 0.00 C ATOM 660 HD2 LYS 42 -18.514 8.805 1.196 1.00 0.00 H ATOM 661 HD3 LYS 42 -17.780 8.010 -0.216 1.00 0.00 H ATOM 662 CE LYS 42 -19.180 6.779 0.859 1.00 0.00 C ATOM 663 HE2 LYS 42 -18.777 5.875 0.395 1.00 0.00 H ATOM 664 HE3 LYS 42 -19.412 6.546 1.903 1.00 0.00 H ATOM 665 NZ LYS 42 -20.409 7.213 0.149 1.00 0.00 N ATOM 666 HZ1 LYS 42 -20.862 7.975 0.634 1.00 0.00 H ATOM 667 HZ2 LYS 42 -20.189 7.553 -0.787 1.00 0.00 H ATOM 668 HZ3 LYS 42 -21.074 6.458 0.062 1.00 0.00 H ATOM 669 C LYS 42 -13.755 7.141 2.459 1.00 0.00 C ATOM 670 O LYS 42 -14.195 6.107 1.970 1.00 0.00 O ATOM 671 N TYR 43 -12.494 7.189 2.894 1.00 0.00 N ATOM 672 H TYR 43 -12.234 7.978 3.465 1.00 0.00 H ATOM 673 CA TYR 43 -11.557 6.056 2.856 1.00 0.00 C ATOM 674 HA TYR 43 -11.705 5.489 1.938 1.00 0.00 H ATOM 675 CB TYR 43 -10.130 6.614 2.833 1.00 0.00 C ATOM 676 HB2 TYR 43 -9.995 7.157 1.888 1.00 0.00 H ATOM 677 HB3 TYR 43 -10.031 7.303 3.678 1.00 0.00 H ATOM 678 CG TYR 43 -9.020 5.588 2.952 1.00 0.00 C ATOM 679 CD1 TYR 43 -8.516 5.245 4.222 1.00 0.00 C ATOM 680 HD1 TYR 43 -8.935 5.700 5.110 1.00 0.00 H ATOM 681 CE1 TYR 43 -7.467 4.314 4.340 1.00 0.00 C ATOM 682 HE1 TYR 43 -7.077 4.044 5.310 1.00 0.00 H ATOM 683 CZ TYR 43 -6.904 3.735 3.183 1.00 0.00 C ATOM 684 OH TYR 43 -5.879 2.846 3.305 1.00 0.00 O ATOM 685 HH TYR 43 -5.537 2.551 2.444 1.00 0.00 H ATOM 686 CE2 TYR 43 -7.400 4.092 1.909 1.00 0.00 C ATOM 687 HE2 TYR 43 -6.960 3.663 1.023 1.00 0.00 H ATOM 688 CD2 TYR 43 -8.461 5.011 1.796 1.00 0.00 C ATOM 689 HD2 TYR 43 -8.840 5.280 0.818 1.00 0.00 H ATOM 690 C TYR 43 -11.786 5.122 4.055 1.00 0.00 C ATOM 691 O TYR 43 -11.866 5.604 5.188 1.00 0.00 O ATOM 692 N LYS 44 -11.928 3.803 3.820 1.00 0.00 N ATOM 693 H LYS 44 -12.012 3.523 2.858 1.00 0.00 H ATOM 694 CA LYS 44 -12.343 2.716 4.726 1.00 0.00 C ATOM 695 HA LYS 44 -12.482 1.871 4.053 1.00 0.00 H ATOM 696 CB LYS 44 -11.223 2.224 5.674 1.00 0.00 C ATOM 697 HB2 LYS 44 -11.582 1.302 6.135 1.00 0.00 H ATOM 698 HB3 LYS 44 -10.357 1.957 5.065 1.00 0.00 H ATOM 699 CG LYS 44 -10.740 3.158 6.800 1.00 0.00 C ATOM 700 HG2 LYS 44 -10.248 4.025 6.364 1.00 0.00 H ATOM 701 HG3 LYS 44 -11.585 3.487 7.401 1.00 0.00 H ATOM 702 CD LYS 44 -9.741 2.428 7.713 1.00 0.00 C ATOM 703 HD2 LYS 44 -10.189 1.477 8.028 1.00 0.00 H ATOM 704 HD3 LYS 44 -8.813 2.239 7.160 1.00 0.00 H ATOM 705 CE LYS 44 -9.426 3.220 8.992 1.00 0.00 C ATOM 706 HE2 LYS 44 -10.365 3.432 9.513 1.00 0.00 H ATOM 707 HE3 LYS 44 -8.823 2.584 9.648 1.00 0.00 H ATOM 708 NZ LYS 44 -8.695 4.487 8.722 1.00 0.00 N ATOM 709 HZ1 LYS 44 -9.245 5.114 8.150 1.00 0.00 H ATOM 710 HZ2 LYS 44 -8.485 4.970 9.586 1.00 0.00 H ATOM 711 HZ3 LYS 44 -7.816 4.309 8.254 1.00 0.00 H ATOM 712 C LYS 44 -13.740 2.919 5.319 1.00 0.00 C ATOM 713 O LYS 44 -13.898 3.366 6.461 1.00 0.00 O ATOM 714 N THR 45 -14.768 2.553 4.534 1.00 0.00 N ATOM 715 H THR 45 -14.598 1.915 3.753 1.00 0.00 H ATOM 716 CA THR 45 -16.170 2.836 4.879 1.00 0.00 C ATOM 717 HA THR 45 -16.334 2.700 5.945 1.00 0.00 H ATOM 718 CB THR 45 -16.632 4.262 4.511 1.00 0.00 C ATOM 719 HB THR 45 -17.668 4.340 4.841 1.00 0.00 H ATOM 720 CG2 THR 45 -15.831 5.376 5.171 1.00 0.00 C ATOM 721 HG21 THR 45 -14.803 5.340 4.807 1.00 0.00 H ATOM 722 HG22 THR 45 -16.269 6.343 4.928 1.00 0.00 H ATOM 723 HG23 THR 45 -15.840 5.238 6.252 1.00 0.00 H ATOM 724 OG1 THR 45 -16.578 4.525 3.126 1.00 0.00 O ATOM 725 HG1 THR 45 -15.681 4.834 2.911 1.00 0.00 H ATOM 726 C THR 45 -17.031 1.813 4.127 1.00 0.00 C ATOM 727 O THR 45 -17.729 1.014 4.751 1.00 0.00 O ATOM 728 N GLU 46 -16.881 1.745 2.798 1.00 0.00 N ATOM 729 H GLU 46 -16.598 2.578 2.283 1.00 0.00 H ATOM 730 CA GLU 46 -17.295 0.576 2.019 1.00 0.00 C ATOM 731 HA GLU 46 -18.314 0.264 2.340 1.00 0.00 H ATOM 732 CB GLU 46 -17.362 0.953 0.526 1.00 0.00 C ATOM 733 HB2 GLU 46 -16.427 1.400 0.195 1.00 0.00 H ATOM 734 HB3 GLU 46 -17.496 0.075 -0.099 1.00 0.00 H ATOM 735 CG GLU 46 -18.518 1.902 0.220 1.00 0.00 C ATOM 736 HG2 GLU 46 -18.361 2.782 0.726 1.00 0.00 H ATOM 737 HG3 GLU 46 -18.445 2.181 -0.745 1.00 0.00 H ATOM 738 CD GLU 46 -19.911 1.290 0.468 1.00 0.00 C ATOM 739 OE1 GLU 46 -20.100 0.077 0.218 1.00 0.00 O ATOM 740 OE2 GLU 46 -20.828 2.021 0.913 1.00 0.00 O ATOM 741 C GLU 46 -16.389 -0.659 2.197 1.00 0.00 C ATOM 742 O GLU 46 -15.301 -0.590 2.776 1.00 0.00 O ATOM 743 N VAL 47 -16.787 -1.719 1.493 1.00 0.00 N ATOM 744 H VAL 47 -17.704 -1.772 1.064 1.00 0.00 H ATOM 745 CA VAL 47 -15.969 -2.941 1.338 1.00 0.00 C ATOM 746 HA VAL 47 -15.023 -2.844 1.865 1.00 0.00 H ATOM 747 CB VAL 47 -16.701 -4.174 1.920 1.00 0.00 C ATOM 748 HB VAL 47 -17.569 -4.386 1.292 1.00 0.00 H ATOM 749 CG1 VAL 47 -15.835 -5.441 1.979 1.00 0.00 C ATOM 750 HG11 VAL 47 -15.428 -5.686 1.000 1.00 0.00 H ATOM 751 HG12 VAL 47 -15.020 -5.304 2.690 1.00 0.00 H ATOM 752 HG13 VAL 47 -16.448 -6.279 2.310 1.00 0.00 H ATOM 753 CG2 VAL 47 -17.217 -3.937 3.351 1.00 0.00 C ATOM 754 HG21 VAL 47 -16.393 -3.668 4.011 1.00 0.00 H ATOM 755 HG22 VAL 47 -17.951 -3.131 3.358 1.00 0.00 H ATOM 756 HG23 VAL 47 -17.703 -4.837 3.730 1.00 0.00 H ATOM 757 C VAL 47 -15.659 -3.126 -0.149 1.00 0.00 C ATOM 758 O VAL 47 -16.506 -2.779 -0.976 1.00 0.00 O HETATM 759 N CY3 48 -14.510 -3.689 -0.522 1.00 0.00 N HETATM 760 H CY3 48 -13.774 -3.842 0.157 1.00 0.00 H HETATM 761 CA CY3 48 -14.336 -4.278 -1.848 1.00 0.00 C HETATM 762 HA CY3 48 -14.379 -3.460 -2.556 1.00 0.00 H HETATM 763 CB CY3 48 -12.893 -4.800 -2.053 1.00 0.00 C HETATM 764 HB3 CY3 48 -12.292 -3.941 -2.398 1.00 0.00 H HETATM 765 HB2 CY3 48 -12.892 -5.576 -2.835 1.00 0.00 H HETATM 766 SG CY3 48 -12.088 -5.453 -0.551 1.00 0.00 S HETATM 767 C CY3 48 -15.525 -5.202 -2.265 1.00 0.00 C HETATM 768 O CY3 48 -15.812 -6.241 -1.665 1.00 0.00 O ATOM 769 N ARG 49 -16.199 -4.735 -3.324 1.00 0.00 N ATOM 770 H ARG 49 -15.917 -3.843 -3.722 1.00 0.00 H ATOM 771 CA ARG 49 -17.275 -5.502 -4.000 1.00 0.00 C ATOM 772 HA ARG 49 -18.076 -5.714 -3.298 1.00 0.00 H ATOM 773 CB ARG 49 -17.843 -4.697 -5.181 1.00 0.00 C ATOM 774 HB2 ARG 49 -17.020 -4.394 -5.831 1.00 0.00 H ATOM 775 HB3 ARG 49 -18.500 -5.342 -5.767 1.00 0.00 H ATOM 776 CG ARG 49 -18.641 -3.440 -4.789 1.00 0.00 C ATOM 777 HG2 ARG 49 -18.017 -2.769 -4.203 1.00 0.00 H ATOM 778 HG3 ARG 49 -18.899 -2.922 -5.714 1.00 0.00 H ATOM 779 CD ARG 49 -19.950 -3.728 -4.034 1.00 0.00 C ATOM 780 HD2 ARG 49 -20.693 -2.987 -4.335 1.00 0.00 H ATOM 781 HD3 ARG 49 -20.336 -4.702 -4.338 1.00 0.00 H ATOM 782 NE ARG 49 -19.800 -3.688 -2.561 1.00 0.00 N ATOM 783 HE ARG 49 -19.718 -4.571 -2.085 1.00 0.00 H ATOM 784 CZ ARG 49 -19.891 -2.617 -1.788 1.00 0.00 C ATOM 785 NH1 ARG 49 -20.004 -1.409 -2.252 1.00 0.00 N ATOM 786 HH11 ARG 49 -20.005 -1.243 -3.242 1.00 0.00 H ATOM 787 HH12 ARG 49 -20.099 -0.655 -1.579 1.00 0.00 H ATOM 788 NH2 ARG 49 -19.902 -2.710 -0.493 1.00 0.00 N ATOM 789 HH21 ARG 49 -19.875 -3.602 -0.035 1.00 0.00 H ATOM 790 HH22 ARG 49 -20.037 -1.847 0.031 1.00 0.00 H ATOM 791 C ARG 49 -16.792 -6.881 -4.469 1.00 0.00 C ATOM 792 O ARG 49 -17.508 -7.865 -4.311 1.00 0.00 O ATOM 793 N THR 50 -15.575 -6.956 -4.983 1.00 0.00 N ATOM 794 H THR 50 -15.038 -6.112 -5.125 1.00 0.00 H ATOM 795 CA THR 50 -14.979 -8.216 -5.416 1.00 0.00 C ATOM 796 HA THR 50 -15.698 -8.830 -5.958 1.00 0.00 H ATOM 797 CB THR 50 -13.840 -7.787 -6.350 1.00 0.00 C ATOM 798 HB THR 50 -13.147 -7.149 -5.789 1.00 0.00 H ATOM 799 CG2 THR 50 -13.032 -8.942 -6.882 1.00 0.00 C ATOM 800 HG21 THR 50 -12.370 -8.571 -7.660 1.00 0.00 H ATOM 801 HG22 THR 50 -12.438 -9.333 -6.058 1.00 0.00 H ATOM 802 HG23 THR 50 -13.705 -9.702 -7.271 1.00 0.00 H ATOM 803 OG1 THR 50 -14.335 -7.054 -7.455 1.00 0.00 O ATOM 804 HG1 THR 50 -14.878 -7.653 -7.996 1.00 0.00 H ATOM 805 C THR 50 -14.360 -9.014 -4.261 1.00 0.00 C ATOM 806 O THR 50 -14.525 -10.232 -4.350 1.00 0.00 O ATOM 807 N PHE 51 -13.924 -8.487 -3.109 1.00 0.00 N ATOM 808 H PHE 51 -13.569 -7.544 -3.082 1.00 0.00 H ATOM 809 CA PHE 51 -13.780 -9.328 -1.904 1.00 0.00 C ATOM 810 HA PHE 51 -13.132 -10.163 -2.155 1.00 0.00 H ATOM 811 CB PHE 51 -13.134 -8.581 -0.728 1.00 0.00 C ATOM 812 HB2 PHE 51 -12.105 -8.333 -0.966 1.00 0.00 H ATOM 813 HB3 PHE 51 -13.697 -7.667 -0.547 1.00 0.00 H ATOM 814 CG PHE 51 -13.156 -9.421 0.537 1.00 0.00 C ATOM 815 CD1 PHE 51 -14.178 -9.234 1.488 1.00 0.00 C ATOM 816 HD1 PHE 51 -14.895 -8.434 1.364 1.00 0.00 H ATOM 817 CE1 PHE 51 -14.307 -10.123 2.570 1.00 0.00 C ATOM 818 HE1 PHE 51 -15.113 -9.997 3.281 1.00 0.00 H ATOM 819 CZ PHE 51 -13.402 -11.188 2.717 1.00 0.00 C ATOM 820 HZ PHE 51 -13.508 -11.871 3.549 1.00 0.00 H ATOM 821 CE2 PHE 51 -12.365 -11.363 1.783 1.00 0.00 C ATOM 822 HE2 PHE 51 -11.667 -12.182 1.895 1.00 0.00 H ATOM 823 CD2 PHE 51 -12.244 -10.483 0.692 1.00 0.00 C ATOM 824 HD2 PHE 51 -11.465 -10.639 -0.042 1.00 0.00 H ATOM 825 C PHE 51 -15.133 -9.942 -1.483 1.00 0.00 C ATOM 826 O PHE 51 -15.230 -11.148 -1.240 1.00 0.00 O ATOM 827 N SER 52 -16.173 -9.104 -1.432 1.00 0.00 N ATOM 828 H SER 52 -16.011 -8.107 -1.533 1.00 0.00 H ATOM 829 CA SER 52 -17.531 -9.551 -1.071 1.00 0.00 C ATOM 830 HA SER 52 -17.491 -10.002 -0.081 1.00 0.00 H ATOM 831 CB SER 52 -18.448 -8.322 -0.986 1.00 0.00 C ATOM 832 HB2 SER 52 -18.032 -7.606 -0.274 1.00 0.00 H ATOM 833 HB3 SER 52 -18.500 -7.842 -1.963 1.00 0.00 H ATOM 834 OG SER 52 -19.764 -8.666 -0.581 1.00 0.00 O ATOM 835 HG SER 52 -19.751 -8.887 0.371 1.00 0.00 H ATOM 836 C SER 52 -18.115 -10.619 -2.021 1.00 0.00 C ATOM 837 O SER 52 -18.759 -11.567 -1.562 1.00 0.00 O ATOM 838 N ALA 53 -17.861 -10.522 -3.334 1.00 0.00 N ATOM 839 H ALA 53 -17.412 -9.678 -3.668 1.00 0.00 H ATOM 840 CA ALA 53 -18.351 -11.475 -4.347 1.00 0.00 C ATOM 841 HA ALA 53 -19.431 -11.572 -4.232 1.00 0.00 H ATOM 842 CB ALA 53 -18.073 -10.859 -5.733 1.00 0.00 C ATOM 843 HB1 ALA 53 -17.000 -10.752 -5.888 1.00 0.00 H ATOM 844 HB2 ALA 53 -18.481 -11.504 -6.512 1.00 0.00 H ATOM 845 HB3 ALA 53 -18.549 -9.881 -5.811 1.00 0.00 H ATOM 846 C ALA 53 -17.743 -12.893 -4.232 1.00 0.00 C ATOM 847 O ALA 53 -18.444 -13.830 -4.626 1.00 0.00 O ATOM 848 N ALA 54 -16.513 -13.078 -3.723 1.00 0.00 N ATOM 849 H ALA 54 -15.936 -12.255 -3.566 1.00 0.00 H ATOM 850 CA ALA 54 -15.869 -14.401 -3.801 1.00 0.00 C ATOM 851 HA ALA 54 -16.579 -15.166 -4.117 1.00 0.00 H ATOM 852 CB ALA 54 -14.785 -14.314 -4.873 1.00 0.00 C ATOM 853 HB1 ALA 54 -14.109 -13.487 -4.653 1.00 0.00 H ATOM 854 HB2 ALA 54 -14.207 -15.241 -4.875 1.00 0.00 H ATOM 855 HB3 ALA 54 -15.235 -14.170 -5.856 1.00 0.00 H ATOM 856 C ALA 54 -15.247 -14.897 -2.478 1.00 0.00 C ATOM 857 O ALA 54 -14.839 -16.059 -2.378 1.00 0.00 O ATOM 858 N GLY 55 -15.116 -14.020 -1.475 1.00 0.00 N ATOM 859 H GLY 55 -15.601 -13.130 -1.517 1.00 0.00 H ATOM 860 CA GLY 55 -14.191 -14.244 -0.351 1.00 0.00 C ATOM 861 HA2 GLY 55 -14.474 -13.567 0.459 1.00 0.00 H ATOM 862 HA3 GLY 55 -14.275 -15.287 -0.017 1.00 0.00 H ATOM 863 C GLY 55 -12.717 -13.979 -0.709 1.00 0.00 C ATOM 864 O GLY 55 -11.835 -14.373 0.055 1.00 0.00 O ATOM 865 N THR 56 -12.424 -13.293 -1.833 1.00 0.00 N ATOM 866 H THR 56 -13.135 -12.743 -2.263 1.00 0.00 H ATOM 867 CA THR 56 -11.080 -13.252 -2.456 1.00 0.00 C ATOM 868 HA THR 56 -10.300 -13.307 -1.701 1.00 0.00 H ATOM 869 CB THR 56 -10.802 -14.377 -3.472 1.00 0.00 C ATOM 870 HB THR 56 -9.751 -14.330 -3.761 1.00 0.00 H ATOM 871 CG2 THR 56 -11.062 -15.709 -2.827 1.00 0.00 C ATOM 872 HG21 THR 56 -12.135 -15.768 -2.638 1.00 0.00 H ATOM 873 HG22 THR 56 -10.732 -16.505 -3.489 1.00 0.00 H ATOM 874 HG23 THR 56 -10.489 -15.717 -1.902 1.00 0.00 H ATOM 875 OG1 THR 56 -11.592 -14.345 -4.643 1.00 0.00 O ATOM 876 HG1 THR 56 -11.395 -13.524 -5.125 1.00 0.00 H ATOM 877 C THR 56 -10.962 -11.959 -3.249 1.00 0.00 C ATOM 878 O THR 56 -11.963 -11.462 -3.761 1.00 0.00 O HETATM 879 N CY3 57 -9.747 -11.449 -3.425 1.00 0.00 N HETATM 880 H CY3 57 -8.947 -11.923 -3.038 1.00 0.00 H HETATM 881 CA CY3 57 -9.525 -10.168 -4.105 1.00 0.00 C HETATM 882 HA CY3 57 -10.417 -9.899 -4.670 1.00 0.00 H HETATM 883 CB CY3 57 -9.353 -9.096 -3.008 1.00 0.00 C HETATM 884 HB3 CY3 57 -8.352 -8.668 -3.100 1.00 0.00 H HETATM 885 HB2 CY3 57 -9.471 -9.565 -2.019 1.00 0.00 H HETATM 886 SG CY3 57 -10.548 -7.716 -3.130 1.00 0.00 S HETATM 887 C CY3 57 -8.336 -10.220 -5.110 1.00 0.00 C HETATM 888 O CY3 57 -7.176 -10.233 -4.679 1.00 0.00 O ATOM 889 N PRO 58 -8.594 -10.171 -6.436 1.00 0.00 N ATOM 890 CD PRO 58 -9.871 -10.445 -7.066 1.00 0.00 C ATOM 891 HD2 PRO 58 -10.448 -9.523 -7.081 1.00 0.00 H ATOM 892 HD3 PRO 58 -10.413 -11.244 -6.557 1.00 0.00 H ATOM 893 CG PRO 58 -9.524 -10.852 -8.492 1.00 0.00 C ATOM 894 HG2 PRO 58 -10.360 -10.686 -9.172 1.00 0.00 H ATOM 895 HG3 PRO 58 -9.190 -11.887 -8.501 1.00 0.00 H ATOM 896 CB PRO 58 -8.344 -9.928 -8.803 1.00 0.00 C ATOM 897 HB2 PRO 58 -8.727 -8.954 -9.116 1.00 0.00 H ATOM 898 HB3 PRO 58 -7.705 -10.345 -9.583 1.00 0.00 H ATOM 899 CA PRO 58 -7.602 -9.821 -7.462 1.00 0.00 C ATOM 900 HA PRO 58 -6.796 -10.556 -7.435 1.00 0.00 H ATOM 901 C PRO 58 -7.000 -8.418 -7.271 1.00 0.00 C ATOM 902 O PRO 58 -5.911 -8.136 -7.769 1.00 0.00 O ATOM 903 N TYR 59 -7.700 -7.564 -6.516 1.00 0.00 N ATOM 904 H TYR 59 -8.660 -7.785 -6.261 1.00 0.00 H ATOM 905 CA TYR 59 -7.150 -6.285 -6.060 1.00 0.00 C ATOM 906 HA TYR 59 -6.827 -5.681 -6.906 1.00 0.00 H ATOM 907 CB TYR 59 -8.229 -5.473 -5.335 1.00 0.00 C ATOM 908 HB2 TYR 59 -8.712 -6.126 -4.612 1.00 0.00 H ATOM 909 HB3 TYR 59 -7.714 -4.688 -4.783 1.00 0.00 H ATOM 910 CG TYR 59 -9.319 -4.763 -6.124 1.00 0.00 C ATOM 911 CD1 TYR 59 -10.052 -3.763 -5.448 1.00 0.00 C ATOM 912 HD1 TYR 59 -9.830 -3.543 -4.410 1.00 0.00 H ATOM 913 CE1 TYR 59 -11.061 -3.042 -6.115 1.00 0.00 C ATOM 914 HE1 TYR 59 -11.605 -2.265 -5.601 1.00 0.00 H ATOM 915 CZ TYR 59 -11.357 -3.330 -7.461 1.00 0.00 C ATOM 916 OH TYR 59 -12.271 -2.574 -8.123 1.00 0.00 O ATOM 917 HH TYR 59 -12.844 -2.068 -7.519 1.00 0.00 H ATOM 918 CE2 TYR 59 -10.630 -4.332 -8.142 1.00 0.00 C ATOM 919 HE2 TYR 59 -10.849 -4.534 -9.182 1.00 0.00 H ATOM 920 CD2 TYR 59 -9.613 -5.047 -7.475 1.00 0.00 C ATOM 921 HD2 TYR 59 -9.058 -5.805 -8.010 1.00 0.00 H ATOM 922 C TYR 59 -5.914 -6.479 -5.174 1.00 0.00 C ATOM 923 O TYR 59 -4.785 -6.151 -5.575 1.00 0.00 O ATOM 924 N GLY 60 -6.118 -6.991 -3.947 1.00 0.00 N ATOM 925 H GLY 60 -7.062 -7.150 -3.601 1.00 0.00 H ATOM 926 CA GLY 60 -5.003 -7.386 -3.064 1.00 0.00 C ATOM 927 HA2 GLY 60 -5.347 -8.144 -2.367 1.00 0.00 H ATOM 928 HA3 GLY 60 -4.203 -7.849 -3.650 1.00 0.00 H ATOM 929 C GLY 60 -4.436 -6.257 -2.209 1.00 0.00 C ATOM 930 O GLY 60 -4.713 -6.146 -1.013 1.00 0.00 O ATOM 931 N LYS 61 -3.657 -5.422 -2.900 1.00 0.00 N ATOM 932 H LYS 61 -3.504 -5.595 -3.887 1.00 0.00 H ATOM 933 CA LYS 61 -3.019 -4.224 -2.306 1.00 0.00 C ATOM 934 HA LYS 61 -3.225 -4.184 -1.240 1.00 0.00 H ATOM 935 CB LYS 61 -1.492 -4.440 -2.435 1.00 0.00 C ATOM 936 HB2 LYS 61 -1.290 -5.494 -2.226 1.00 0.00 H ATOM 937 HB3 LYS 61 -1.201 -4.264 -3.466 1.00 0.00 H ATOM 938 CG LYS 61 -0.560 -3.661 -1.495 1.00 0.00 C ATOM 939 HG2 LYS 61 -0.969 -3.672 -0.484 1.00 0.00 H ATOM 940 HG3 LYS 61 0.386 -4.203 -1.477 1.00 0.00 H ATOM 941 CD LYS 61 -0.275 -2.214 -1.919 1.00 0.00 C ATOM 942 HD2 LYS 61 -0.100 -2.178 -2.991 1.00 0.00 H ATOM 943 HD3 LYS 61 -1.151 -1.608 -1.702 1.00 0.00 H ATOM 944 CE LYS 61 0.908 -1.592 -1.154 1.00 0.00 C ATOM 945 HE2 LYS 61 0.878 -0.509 -1.301 1.00 0.00 H ATOM 946 HE3 LYS 61 0.778 -1.777 -0.084 1.00 0.00 H ATOM 947 NZ LYS 61 2.233 -2.100 -1.602 1.00 0.00 N ATOM 948 HZ1 LYS 61 2.978 -1.705 -1.027 1.00 0.00 H ATOM 949 HZ2 LYS 61 2.299 -3.100 -1.509 1.00 0.00 H ATOM 950 HZ3 LYS 61 2.421 -1.863 -2.575 1.00 0.00 H ATOM 951 C LYS 61 -3.547 -2.909 -2.907 1.00 0.00 C ATOM 952 O LYS 61 -3.513 -1.845 -2.268 1.00 0.00 O ATOM 953 N ARG 62 -4.199 -3.051 -4.070 1.00 0.00 N ATOM 954 H ARG 62 -4.131 -3.924 -4.575 1.00 0.00 H ATOM 955 CA ARG 62 -5.115 -1.997 -4.615 1.00 0.00 C ATOM 956 HA ARG 62 -4.528 -1.094 -4.834 1.00 0.00 H ATOM 957 CB ARG 62 -5.614 -2.537 -5.976 1.00 0.00 C ATOM 958 HB2 ARG 62 -4.766 -2.586 -6.661 1.00 0.00 H ATOM 959 HB3 ARG 62 -5.969 -3.555 -5.828 1.00 0.00 H ATOM 960 CG ARG 62 -6.743 -1.732 -6.652 1.00 0.00 C ATOM 961 HG2 ARG 62 -7.626 -1.720 -6.011 1.00 0.00 H ATOM 962 HG3 ARG 62 -6.412 -0.707 -6.825 1.00 0.00 H ATOM 963 CD ARG 62 -7.134 -2.353 -8.004 1.00 0.00 C ATOM 964 HD2 ARG 62 -6.406 -2.063 -8.760 1.00 0.00 H ATOM 965 HD3 ARG 62 -7.102 -3.439 -7.904 1.00 0.00 H ATOM 966 NE ARG 62 -8.507 -1.978 -8.381 1.00 0.00 N ATOM 967 HE ARG 62 -9.238 -2.432 -7.856 1.00 0.00 H ATOM 968 CZ ARG 62 -8.899 -1.100 -9.283 1.00 0.00 C ATOM 969 NH1 ARG 62 -8.088 -0.479 -10.080 1.00 0.00 N ATOM 970 HH11 ARG 62 -7.096 -0.696 -10.101 1.00 0.00 H ATOM 971 HH12 ARG 62 -8.466 0.239 -10.689 1.00 0.00 H ATOM 972 NH2 ARG 62 -10.153 -0.796 -9.429 1.00 0.00 N ATOM 973 HH21 ARG 62 -10.875 -1.288 -8.922 1.00 0.00 H ATOM 974 HH22 ARG 62 -10.387 -0.054 -10.079 1.00 0.00 H ATOM 975 C ARG 62 -6.246 -1.624 -3.687 1.00 0.00 C ATOM 976 O ARG 62 -6.767 -0.506 -3.823 1.00 0.00 O HETATM 977 N CY3 63 -6.673 -2.463 -2.728 1.00 0.00 N HETATM 978 H CY3 63 -6.682 -3.465 -3.008 1.00 0.00 H HETATM 979 CA CY3 63 -7.799 -2.179 -1.838 1.00 0.00 C HETATM 980 HA CY3 63 -8.668 -2.008 -2.448 1.00 0.00 H HETATM 981 CB CY3 63 -8.083 -3.424 -0.972 1.00 0.00 C HETATM 982 HB3 CY3 63 -9.023 -3.279 -0.457 1.00 0.00 H HETATM 983 HB2 CY3 63 -7.266 -3.526 -0.230 1.00 0.00 H HETATM 984 SG CY3 63 -8.176 -4.942 -1.982 1.00 0.00 S HETATM 985 C CY3 63 -7.664 -0.858 -0.984 1.00 0.00 C HETATM 986 O CY3 63 -7.263 -0.902 0.185 1.00 0.00 O ATOM 987 N ARG 64 -8.130 0.276 -1.533 1.00 0.00 N ATOM 988 H ARG 64 -8.331 0.301 -2.526 1.00 0.00 H ATOM 989 CA ARG 64 -8.338 1.533 -0.755 1.00 0.00 C ATOM 990 HA ARG 64 -7.504 1.644 -0.065 1.00 0.00 H ATOM 991 CB ARG 64 -8.363 2.734 -1.748 1.00 0.00 C ATOM 992 HB2 ARG 64 -9.253 2.641 -2.387 1.00 0.00 H ATOM 993 HB3 ARG 64 -8.424 3.664 -1.166 1.00 0.00 H ATOM 994 CG ARG 64 -7.132 2.866 -2.671 1.00 0.00 C ATOM 995 HG2 ARG 64 -7.122 2.047 -3.388 1.00 0.00 H ATOM 996 HG3 ARG 64 -7.231 3.794 -3.235 1.00 0.00 H ATOM 997 CD ARG 64 -5.800 2.893 -1.907 1.00 0.00 C ATOM 998 HD2 ARG 64 -5.859 3.686 -1.151 1.00 0.00 H ATOM 999 HD3 ARG 64 -5.629 1.924 -1.420 1.00 0.00 H ATOM 1000 NE ARG 64 -4.678 3.223 -2.806 1.00 0.00 N ATOM 1001 HE ARG 64 -4.562 4.198 -3.053 1.00 0.00 H ATOM 1002 CZ ARG 64 -3.774 2.408 -3.320 1.00 0.00 C ATOM 1003 NH1 ARG 64 -3.775 1.117 -3.144 1.00 0.00 N ATOM 1004 HH11 ARG 64 -4.483 0.690 -2.575 1.00 0.00 H ATOM 1005 HH12 ARG 64 -3.014 0.556 -3.512 1.00 0.00 H ATOM 1006 NH2 ARG 64 -2.825 2.910 -4.045 1.00 0.00 N ATOM 1007 HH21 ARG 64 -2.808 3.908 -4.210 1.00 0.00 H ATOM 1008 HH22 ARG 64 -2.149 2.320 -4.514 1.00 0.00 H ATOM 1009 C ARG 64 -9.616 1.512 0.113 1.00 0.00 C ATOM 1010 O ARG 64 -10.202 2.560 0.392 1.00 0.00 O ATOM 1011 N PHE 65 -10.065 0.317 0.498 1.00 0.00 N ATOM 1012 H PHE 65 -9.482 -0.493 0.371 1.00 0.00 H ATOM 1013 CA PHE 65 -11.401 0.111 1.077 1.00 0.00 C ATOM 1014 HA PHE 65 -11.902 1.061 1.185 1.00 0.00 H ATOM 1015 CB PHE 65 -12.245 -0.728 0.089 1.00 0.00 C ATOM 1016 HB2 PHE 65 -11.918 -1.769 0.140 1.00 0.00 H ATOM 1017 HB3 PHE 65 -13.293 -0.702 0.390 1.00 0.00 H ATOM 1018 CG PHE 65 -12.141 -0.258 -1.352 1.00 0.00 C ATOM 1019 CD1 PHE 65 -12.834 0.890 -1.777 1.00 0.00 C ATOM 1020 HD1 PHE 65 -13.520 1.386 -1.107 1.00 0.00 H ATOM 1021 CE1 PHE 65 -12.613 1.411 -3.065 1.00 0.00 C ATOM 1022 HE1 PHE 65 -13.127 2.308 -3.383 1.00 0.00 H ATOM 1023 CZ PHE 65 -11.703 0.780 -3.930 1.00 0.00 C ATOM 1024 HZ PHE 65 -11.517 1.189 -4.913 1.00 0.00 H ATOM 1025 CE2 PHE 65 -11.031 -0.383 -3.519 1.00 0.00 C ATOM 1026 HE2 PHE 65 -10.337 -0.871 -4.189 1.00 0.00 H ATOM 1027 CD2 PHE 65 -11.265 -0.912 -2.240 1.00 0.00 C ATOM 1028 HD2 PHE 65 -10.747 -1.805 -1.921 1.00 0.00 H ATOM 1029 C PHE 65 -11.312 -0.548 2.465 1.00 0.00 C ATOM 1030 O PHE 65 -10.223 -0.596 3.044 1.00 0.00 O ATOM 1031 N ILE 66 -12.397 -1.121 3.005 1.00 0.00 N ATOM 1032 H ILE 66 -13.301 -0.996 2.570 1.00 0.00 H ATOM 1033 CA ILE 66 -12.243 -2.234 3.950 1.00 0.00 C ATOM 1034 HA ILE 66 -11.372 -2.073 4.586 1.00 0.00 H ATOM 1035 CB ILE 66 -13.494 -2.358 4.853 1.00 0.00 C ATOM 1036 HB ILE 66 -14.369 -2.445 4.211 1.00 0.00 H ATOM 1037 CG2 ILE 66 -13.425 -3.634 5.710 1.00 0.00 C ATOM 1038 HG21 ILE 66 -12.495 -3.652 6.282 1.00 0.00 H ATOM 1039 HG22 ILE 66 -14.269 -3.676 6.398 1.00 0.00 H ATOM 1040 HG23 ILE 66 -13.476 -4.518 5.073 1.00 0.00 H ATOM 1041 CG1 ILE 66 -13.660 -1.094 5.739 1.00 0.00 C ATOM 1042 HG12 ILE 66 -12.970 -1.157 6.591 1.00 0.00 H ATOM 1043 HG13 ILE 66 -13.435 -0.202 5.142 1.00 0.00 H ATOM 1044 CD1 ILE 66 -15.089 -0.897 6.264 1.00 0.00 C ATOM 1045 HD11 ILE 66 -15.162 0.073 6.759 1.00 0.00 H ATOM 1046 HD12 ILE 66 -15.797 -0.909 5.432 1.00 0.00 H ATOM 1047 HD13 ILE 66 -15.345 -1.683 6.973 1.00 0.00 H ATOM 1048 C ILE 66 -11.992 -3.483 3.095 1.00 0.00 C ATOM 1049 O ILE 66 -12.906 -3.914 2.394 1.00 0.00 O ATOM 1050 N HIS 67 -10.787 -4.062 3.153 1.00 0.00 N ATOM 1051 H HIS 67 -10.093 -3.706 3.795 1.00 0.00 H ATOM 1052 CA HIS 67 -10.638 -5.451 2.689 1.00 0.00 C ATOM 1053 HA HIS 67 -11.493 -5.734 2.078 1.00 0.00 H ATOM 1054 CB HIS 67 -9.410 -5.662 1.784 1.00 0.00 C ATOM 1055 HB2 HIS 67 -9.676 -5.464 0.699 1.00 0.00 H ATOM 1056 HB3 HIS 67 -8.615 -5.000 2.112 1.00 0.00 H ATOM 1057 CG HIS 67 -8.900 -7.090 1.773 1.00 0.00 C ATOM 1058 ND1 HIS 67 -7.670 -7.282 1.173 1.00 0.00 N ATOM 1059 HD1 HIS 67 -6.835 -6.764 1.419 1.00 0.00 H ATOM 1060 CE1 HIS 67 -7.909 -7.649 -0.088 1.00 0.00 C ATOM 1061 HE1 HIS 67 -7.244 -7.348 -0.890 1.00 0.00 H ATOM 1062 NE2 HIS 67 -9.233 -7.759 -0.212 1.00 0.00 N ATOM 1063 CD2 HIS 67 -9.756 -7.879 1.061 1.00 0.00 C ATOM 1064 HD2 HIS 67 -10.825 -7.745 1.158 1.00 0.00 H ATOM 1065 C HIS 67 -10.667 -6.361 3.927 1.00 0.00 C ATOM 1066 O HIS 67 -9.716 -6.413 4.715 1.00 0.00 O ATOM 1067 N ALA 68 -11.809 -7.015 4.115 1.00 0.00 N ATOM 1068 H ALA 68 -12.545 -6.940 3.428 1.00 0.00 H ATOM 1069 CA ALA 68 -12.006 -7.944 5.229 1.00 0.00 C ATOM 1070 HA ALA 68 -11.512 -7.549 6.119 1.00 0.00 H ATOM 1071 CB ALA 68 -13.513 -7.991 5.527 1.00 0.00 C ATOM 1072 HB1 ALA 68 -14.057 -8.363 4.661 1.00 0.00 H ATOM 1073 HB2 ALA 68 -13.712 -8.638 6.381 1.00 0.00 H ATOM 1074 HB3 ALA 68 -13.872 -6.989 5.765 1.00 0.00 H ATOM 1075 C ALA 68 -11.397 -9.341 4.948 1.00 0.00 C ATOM 1076 O ALA 68 -10.758 -9.561 3.915 1.00 0.00 O ATOM 1077 N THR 69 -11.552 -10.275 5.895 1.00 0.00 N ATOM 1078 H THR 69 -12.064 -10.051 6.735 1.00 0.00 H ATOM 1079 CA THR 69 -10.991 -11.637 5.774 1.00 0.00 C ATOM 1080 HA THR 69 -10.946 -11.900 4.722 1.00 0.00 H ATOM 1081 CB THR 69 -9.533 -11.655 6.278 1.00 0.00 C ATOM 1082 HB THR 69 -8.984 -10.862 5.768 1.00 0.00 H ATOM 1083 CG2 THR 69 -9.380 -11.437 7.786 1.00 0.00 C ATOM 1084 HG21 THR 69 -9.850 -10.498 8.077 1.00 0.00 H ATOM 1085 HG22 THR 69 -9.835 -12.257 8.340 1.00 0.00 H ATOM 1086 HG23 THR 69 -8.320 -11.386 8.038 1.00 0.00 H ATOM 1087 OG1 THR 69 -8.905 -12.883 5.974 1.00 0.00 O ATOM 1088 HG1 THR 69 -8.719 -12.896 5.018 1.00 0.00 H ATOM 1089 C THR 69 -11.877 -12.674 6.505 1.00 0.00 C ATOM 1090 O THR 69 -12.480 -12.324 7.529 1.00 0.00 O ATOM 1091 N PRO 70 -11.999 -13.928 6.014 1.00 0.00 N ATOM 1092 CD PRO 70 -11.725 -14.337 4.641 1.00 0.00 C ATOM 1093 HD2 PRO 70 -10.673 -14.607 4.543 1.00 0.00 H ATOM 1094 HD3 PRO 70 -11.985 -13.561 3.923 1.00 0.00 H ATOM 1095 CG PRO 70 -12.597 -15.567 4.397 1.00 0.00 C ATOM 1096 HG2 PRO 70 -12.174 -16.218 3.632 1.00 0.00 H ATOM 1097 HG3 PRO 70 -13.607 -15.255 4.124 1.00 0.00 H ATOM 1098 CB PRO 70 -12.613 -16.233 5.770 1.00 0.00 C ATOM 1099 HB2 PRO 70 -11.701 -16.818 5.896 1.00 0.00 H ATOM 1100 HB3 PRO 70 -13.491 -16.868 5.900 1.00 0.00 H ATOM 1101 CA PRO 70 -12.624 -15.045 6.742 1.00 0.00 C ATOM 1102 HA PRO 70 -13.660 -14.780 6.944 1.00 0.00 H ATOM 1103 C PRO 70 -11.957 -15.393 8.093 1.00 0.00 C ATOM 1104 O PRO 70 -10.710 -15.484 8.170 1.00 0.00 O ATOM 1105 OXT PRO 70 -12.700 -15.603 9.080 1.00 0.00 O END If you find results from this site helpful for your research, please cite one of our papers:
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