REMARK: This is an example protein (PDB 1VII) PQR file produced by H++ REMARK: It is made up of amino-acids, each containg from about 10 or 20 REMARK: atoms. REMARK: field 3 represents atom type (first letter is the chemical element, REMARK: e.g. "HB3" is a hydrogen ); field 4 is amino-acid name, field REMARK: 5 is its number, and field 9 is the charge of the atom. REMARK: x x x x x x x 1000.00 ATOM 20 N LEU 2 -0.523 -7.832 -1.331 -0.4157 1.550 ATOM 21 H LEU 2 -0.041 -6.995 -1.620 0.2719 1.200 ATOM 22 CA LEU 2 -1.241 -7.824 -0.028 -0.0518 1.700 ATOM 23 HA LEU 2 -0.863 -8.638 0.595 0.0922 1.200 ATOM 24 CB LEU 2 -1.019 -6.479 0.660 -0.1102 1.700 ATOM 25 HB2 LEU 2 -0.663 -5.716 -0.035 0.0457 1.200 ATOM 26 HB3 LEU 2 -1.961 -6.139 1.089 0.0457 1.200 ATOM 27 CG LEU 2 -0.044 -6.671 1.819 0.3531 1.700 ATOM 28 HG LEU 2 -0.320 -7.552 2.396 -0.0361 1.200 ATOM 29 CD1 LEU 2 1.375 -6.825 1.270 -0.4121 1.700 ATOM 30 HD11 LEU 2 1.451 -7.728 0.665 0.1000 1.200 ATOM 31 HD12 LEU 2 1.650 -5.962 0.665 0.1000 1.200 ATOM 32 HD13 LEU 2 2.057 -6.949 2.111 0.1000 1.200 ATOM 33 CD2 LEU 2 -0.107 -5.458 2.749 -0.4121 1.700 ATOM 34 HD21 LEU 2 -1.037 -4.932 2.671 0.1000 1.200 ATOM 35 HD22 LEU 2 0.180 -5.777 3.718 0.1000 1.200 ATOM 36 HD23 LEU 2 0.644 -4.759 2.403 0.1000 1.200 ATOM 37 C LEU 2 -2.736 -8.045 -0.241 0.5973 1.700 ATOM 38 O LEU 2 -3.467 -7.134 -0.574 -0.5679 1.500 ATOM 39 N SER 3 -3.200 -9.245 -0.031 -0.4157 1.550 ATOM 40 H SER 3 -2.592 -9.998 0.260 0.2719 1.200 ATOM 41 CA SER 3 -4.651 -9.514 -0.199 -0.0249 1.700 ATOM 42 HA SER 3 -4.975 -9.243 -1.204 0.0843 1.200 ATOM 43 CB SER 3 -4.927 -10.999 0.040 0.2117 1.700 ATOM 44 HB2 SER 3 -5.884 -11.145 0.543 0.0352 1.200 ATOM 45 HB3 SER 3 -4.949 -11.510 -0.923 0.0352 1.200 ATOM 46 OG SER 3 -3.870 -11.553 0.812 -0.6546 1.500 ATOM 47 HG SER 3 -3.982 -11.303 1.734 0.4275 1.200 ATOM 48 C SER 3 -5.409 -8.677 0.829 0.5973 1.700 ATOM 49 O SER 3 -4.872 -8.326 1.858 -0.5679 1.500 ATOM 50 N ASP 4 -6.640 -8.346 0.567 -0.5163 1.550 ATOM 51 H ASP 4 -7.084 -8.617 -0.298 0.2936 1.200 ATOM 52 CA ASP 4 -7.413 -7.518 1.539 0.0381 1.700 ATOM 53 HA ASP 4 -7.216 -6.460 1.362 0.0880 1.200 ATOM 54 CB ASP 4 -8.906 -7.804 1.367 -0.0303 1.700 ATOM 55 HB2 ASP 4 -9.081 -8.866 1.183 -0.0122 1.200 ATOM 56 HB3 ASP 4 -9.438 -7.511 2.274 -0.0122 1.200 ATOM 57 CG ASP 4 -9.451 -6.972 0.204 0.7994 1.700 ATOM 58 OD1 ASP 4 -8.745 -6.836 -0.781 -0.8014 1.500 ATOM 59 OD2 ASP 4 -10.564 -6.485 0.319 -0.8014 1.500 ATOM 60 C ASP 4 -6.988 -7.854 2.975 0.5366 1.700 ATOM 61 O ASP 4 -6.282 -7.101 3.614 -0.5819 1.500 ATOM 62 N GLU 5 -7.424 -8.973 3.486 -0.5163 1.550 ATOM 63 H GLU 5 -8.010 -9.590 2.944 0.2936 1.200 ATOM 64 CA GLU 5 -7.065 -9.365 4.887 0.0397 1.700 ATOM 65 HA GLU 5 -7.750 -8.881 5.583 0.1105 1.200 ATOM 66 CB GLU 5 -7.175 -10.885 5.044 0.0560 1.700 ATOM 67 HB2 GLU 5 -6.494 -11.393 4.359 -0.0173 1.200 ATOM 68 HB3 GLU 5 -6.827 -11.061 6.059 -0.0173 1.200 ATOM 69 CG GLU 5 -8.599 -11.341 4.738 0.0136 1.700 ATOM 70 HG2 GLU 5 -9.293 -10.498 4.773 -0.0425 1.200 ATOM 71 HG3 GLU 5 -8.640 -11.789 3.744 -0.0425 1.200 ATOM 72 CD GLU 5 -9.041 -12.354 5.797 0.8054 1.700 ATOM 73 OE1 GLU 5 -8.236 -12.676 6.657 -0.8188 1.500 ATOM 74 OE2 GLU 5 -10.176 -12.792 5.728 -0.8188 1.500 ATOM 75 C GLU 5 -5.631 -8.936 5.230 0.5366 1.700 ATOM 76 O GLU 5 -5.414 -8.125 6.108 -0.5819 1.500 ATOM 77 N ASP 6 -4.648 -9.484 4.564 -0.5163 1.550 ATOM 78 H ASP 6 -4.825 -10.182 3.858 0.2936 1.200 ATOM 79 CA ASP 6 -3.236 -9.113 4.886 0.0381 1.700 ATOM 80 HA ASP 6 -2.951 -9.545 5.847 0.0880 1.200 ATOM 81 CB ASP 6 -2.308 -9.640 3.788 -0.0303 1.700 ATOM 82 HB2 ASP 6 -2.788 -9.602 2.811 -0.0122 1.200 ATOM 83 HB3 ASP 6 -1.410 -9.022 3.757 -0.0122 1.200 ATOM 84 CG ASP 6 -1.888 -11.074 4.117 0.7994 1.700 ATOM 85 OD1 ASP 6 -2.768 -11.908 4.268 -0.8014 1.500 ATOM 86 OD2 ASP 6 -0.696 -11.315 4.213 -0.8014 1.500 ATOM 87 C ASP 6 -3.114 -7.591 4.981 0.5366 1.700 ATOM 88 O ASP 6 -2.715 -7.058 5.995 -0.5819 1.500 ATOM 89 N PHE 7 -3.473 -6.885 3.946 -0.4157 1.550 ATOM 90 H PHE 7 -3.860 -7.335 3.129 0.2719 1.200 ATOM 91 CA PHE 7 -3.401 -5.399 4.003 -0.0024 1.700 ATOM 92 HA PHE 7 -2.394 -5.053 3.938 0.0978 1.200 ATOM 93 CB PHE 7 -4.308 -4.823 2.927 -0.0343 1.700 ATOM 94 HB2 PHE 7 -4.146 -5.367 1.995 0.0295 1.200 ATOM 95 HB3 PHE 7 -5.366 -4.895 3.165 0.0295 1.200 ATOM 96 CG PHE 7 -3.956 -3.376 2.699 0.0118 1.700 ATOM 97 CD1 PHE 7 -2.968 -3.019 1.772 -0.1256 1.700 ATOM 98 HD1 PHE 7 -2.416 -3.796 1.269 0.1330 1.200 ATOM 99 CE1 PHE 7 -2.647 -1.670 1.587 -0.1704 1.700 ATOM 100 HE1 PHE 7 -1.780 -1.327 1.074 0.1430 1.200 ATOM 101 CZ PHE 7 -3.305 -0.687 2.327 -0.1072 1.700 ATOM 102 HZ PHE 7 -2.917 0.299 2.363 0.1297 1.200 ATOM 103 CE2 PHE 7 -4.289 -1.044 3.250 -0.1704 1.700 ATOM 104 HE2 PHE 7 -4.627 -0.289 3.930 0.1430 1.200 ATOM 105 CD2 PHE 7 -4.615 -2.388 3.437 -0.1256 1.700 ATOM 106 HD2 PHE 7 -5.333 -2.673 4.192 0.1330 1.200 ATOM 107 C PHE 7 -3.924 -4.947 5.350 0.5973 1.700 ATOM 108 O PHE 7 -3.261 -4.261 6.100 -0.5679 1.500 ATOM 109 N LYS 8 -5.125 -5.331 5.634 -0.3479 1.550 ATOM 110 H LYS 8 -5.616 -5.956 5.009 0.2747 1.200 ATOM 111 CA LYS 8 -5.767 -4.949 6.925 -0.2400 1.700 ATOM 112 HA LYS 8 -6.162 -3.942 6.799 0.1426 1.200 ATOM 113 CB LYS 8 -6.869 -5.956 7.271 -0.0094 1.700 ATOM 114 HB2 LYS 8 -7.175 -6.440 6.344 0.0362 1.200 ATOM 115 HB3 LYS 8 -6.557 -6.727 7.976 0.0362 1.200 ATOM 116 CG LYS 8 -8.076 -5.200 7.828 0.0187 1.700 ATOM 117 HG2 LYS 8 -8.024 -5.155 8.917 0.0103 1.200 ATOM 118 HG3 LYS 8 -8.090 -4.180 7.443 0.0103 1.200 ATOM 119 CD LYS 8 -9.377 -5.878 7.381 -0.0479 1.700 ATOM 120 HD2 LYS 8 -9.292 -6.193 6.340 0.0621 1.200 ATOM 121 HD3 LYS 8 -9.586 -6.758 7.991 0.0621 1.200 ATOM 122 CE LYS 8 -10.520 -4.860 7.425 -0.0143 1.700 ATOM 123 HE2 LYS 8 -10.125 -3.844 7.385 0.1135 1.200 ATOM 124 HE3 LYS 8 -11.162 -5.020 6.558 0.1135 1.200 ATOM 125 NZ LYS 8 -11.330 -5.058 8.661 -0.3854 1.550 ATOM 126 HZ1 LYS 8 -11.710 -5.995 8.670 0.3400 1.200 ATOM 127 HZ2 LYS 8 -10.744 -4.929 9.474 0.3400 1.200 ATOM 128 HZ3 LYS 8 -12.087 -4.389 8.683 0.3400 1.200 ATOM 129 C LYS 8 -4.723 -4.927 8.050 0.7341 1.700 ATOM 130 O LYS 8 -4.461 -3.897 8.642 -0.5894 1.500 ATOM 131 N ALA 9 -4.130 -6.052 8.358 -0.4157 1.550 ATOM 132 H ALA 9 -4.311 -6.890 7.821 0.2719 1.200 ATOM 133 CA ALA 9 -3.109 -6.090 9.450 0.0337 1.700 ATOM 134 HA ALA 9 -3.436 -5.476 10.290 0.0823 1.200 ATOM 135 CB ALA 9 -2.931 -7.534 9.928 -0.1825 1.700 ATOM 136 HB1 ALA 9 -3.891 -7.929 10.262 0.0603 1.200 ATOM 137 HB2 ALA 9 -2.559 -8.155 9.111 0.0603 1.200 ATOM 138 HB3 ALA 9 -2.231 -7.573 10.763 0.0603 1.200 ATOM 139 C ALA 9 -1.767 -5.565 8.932 0.5973 1.700 ATOM 140 O ALA 9 -0.720 -6.085 9.262 -0.5679 1.500 ATOM 141 N VAL 10 -1.787 -4.543 8.123 -0.4157 1.550 ATOM 142 H VAL 10 -2.661 -4.115 7.857 0.2719 1.200 ATOM 143 CA VAL 10 -0.514 -3.998 7.587 -0.0875 1.700 ATOM 144 HA VAL 10 0.336 -4.269 8.215 0.0969 1.200 ATOM 145 CB VAL 10 -0.291 -4.552 6.183 0.2985 1.700 ATOM 146 HB VAL 10 -1.100 -4.340 5.508 -0.0297 1.200 ATOM 147 CG1 VAL 10 0.935 -3.888 5.559 -0.3192 1.700 ATOM 148 HG11 VAL 10 1.000 -2.823 5.739 0.0791 1.200 ATOM 149 HG12 VAL 10 1.768 -4.404 6.017 0.0791 1.200 ATOM 150 HG13 VAL 10 0.823 -3.949 4.499 0.0791 1.200 ATOM 151 CG2 VAL 10 -0.064 -6.066 6.275 -0.3192 1.700 ATOM 152 HG21 VAL 10 0.963 -6.295 6.559 0.0791 1.200 ATOM 153 HG22 VAL 10 -0.674 -6.568 6.997 0.0791 1.200 ATOM 154 HG23 VAL 10 -0.303 -6.609 5.375 0.0791 1.200 ATOM 155 C VAL 10 -0.582 -2.467 7.545 0.5973 1.700 ATOM 156 O VAL 10 -0.049 -1.793 8.404 -0.5679 1.500 ATOM 157 N PHE 11 -1.236 -1.910 6.562 -0.4157 1.550 ATOM 158 H PHE 11 -1.701 -2.478 5.868 0.2719 1.200 ATOM 159 CA PHE 11 -1.330 -0.424 6.489 -0.0024 1.700 ATOM 160 HA PHE 11 -0.376 0.039 6.744 0.0978 1.200 ATOM 161 CB PHE 11 -1.736 0.011 5.084 -0.0343 1.700 ATOM 162 HB2 PHE 11 -2.648 -0.497 4.853 0.0295 1.200 ATOM 163 HB3 PHE 11 -1.895 1.090 5.050 0.0295 1.200 ATOM 164 CG PHE 11 -0.689 -0.385 4.079 0.0118 1.700 ATOM 165 CD1 PHE 11 0.391 0.463 3.821 -0.1256 1.700 ATOM 166 HD1 PHE 11 0.503 1.385 4.373 0.1330 1.200 ATOM 167 CE1 PHE 11 1.344 0.107 2.863 -0.1704 1.700 ATOM 168 HE1 PHE 11 2.223 0.714 2.723 0.1430 1.200 ATOM 169 CZ PHE 11 1.210 -1.095 2.156 -0.1072 1.700 ATOM 170 HZ PHE 11 1.958 -1.380 1.431 0.1297 1.200 ATOM 171 CE2 PHE 11 0.126 -1.940 2.415 -0.1704 1.700 ATOM 172 HE2 PHE 11 0.025 -2.857 1.864 0.1430 1.200 ATOM 173 CD2 PHE 11 -0.820 -1.585 3.379 -0.1256 1.700 ATOM 174 HD2 PHE 11 -1.562 -2.297 3.704 0.1330 1.200 ATOM 175 C PHE 11 -2.411 0.061 7.451 0.5973 1.700 ATOM 176 O PHE 11 -2.139 0.642 8.482 -0.5679 1.500 ATOM 177 N GLY 12 -3.645 -0.171 7.096 -0.4157 1.550 ATOM 178 H GLY 12 -3.843 -0.686 6.251 0.2719 1.200 ATOM 179 CA GLY 12 -4.783 0.272 7.945 -0.0252 1.700 ATOM 180 HA2 GLY 12 -4.993 -0.484 8.702 0.0698 1.200 ATOM 181 HA3 GLY 12 -4.556 1.223 8.427 0.0698 1.200 ATOM 182 C GLY 12 -6.003 0.457 7.041 0.5973 1.700 ATOM 183 O GLY 12 -7.047 -0.126 7.258 -0.5679 1.500 ATOM 184 N MET 13 -5.867 1.254 6.016 -0.4157 1.550 ATOM 185 H MET 13 -4.992 1.727 5.846 0.2719 1.200 ATOM 186 CA MET 13 -7.005 1.470 5.080 -0.0237 1.700 ATOM 187 HA MET 13 -7.963 1.366 5.591 0.0880 1.200 ATOM 188 CB MET 13 -6.923 2.886 4.503 0.0342 1.700 ATOM 189 HB2 MET 13 -6.038 3.015 3.877 0.0241 1.200 ATOM 190 HB3 MET 13 -7.822 3.078 3.914 0.0241 1.200 ATOM 191 CG MET 13 -6.831 3.890 5.656 0.0018 1.700 ATOM 192 HG2 MET 13 -7.246 3.466 6.572 0.0440 1.200 ATOM 193 HG3 MET 13 -5.785 4.148 5.826 0.0440 1.200 ATOM 194 SD MET 13 -7.798 5.365 5.255 -0.2737 1.800 ATOM 195 CE MET 13 -6.600 6.587 5.842 -0.0536 1.700 ATOM 196 HE1 MET 13 -6.442 6.460 6.914 0.0684 1.200 ATOM 197 HE2 MET 13 -5.654 6.456 5.316 0.0684 1.200 ATOM 198 HE3 MET 13 -6.981 7.590 5.649 0.0684 1.200 ATOM 199 C MET 13 -6.922 0.435 3.952 0.5973 1.700 ATOM 200 O MET 13 -6.919 -0.756 4.193 -0.5679 1.500 ATOM 201 N THR 14 -6.838 0.873 2.724 -0.4157 1.550 ATOM 202 H THR 14 -6.846 1.862 2.520 0.2719 1.200 ATOM 203 CA THR 14 -6.738 -0.094 1.592 -0.0389 1.700 ATOM 204 HA THR 14 -6.633 -1.122 1.937 0.1007 1.200 ATOM 205 CB THR 14 -7.985 0.011 0.708 0.3654 1.700 ATOM 206 HB THR 14 -7.715 0.362 -0.289 0.0043 1.200 ATOM 207 CG2 THR 14 -8.652 -1.360 0.594 -0.2438 1.700 ATOM 208 HG21 THR 14 -7.966 -2.071 0.133 0.0642 1.200 ATOM 209 HG22 THR 14 -8.938 -1.723 1.583 0.0642 1.200 ATOM 210 HG23 THR 14 -9.544 -1.281 -0.029 0.0642 1.200 ATOM 211 OG1 THR 14 -8.899 0.934 1.280 -0.6761 1.500 ATOM 212 HG1 THR 14 -9.237 0.557 2.096 0.4102 1.200 ATOM 213 C THR 14 -5.503 0.244 0.768 0.5973 1.700 ATOM 214 O THR 14 -4.976 1.331 0.860 -0.5679 1.500 ATOM 215 N ARG 15 -5.033 -0.659 -0.047 -0.3479 1.550 ATOM 216 H ARG 15 -5.453 -1.576 -0.103 0.2747 1.200 ATOM 217 CA ARG 15 -3.852 -0.344 -0.865 -0.2637 1.700 ATOM 218 HA ARG 15 -3.072 -0.012 -0.210 0.1560 1.200 ATOM 219 CB ARG 15 -3.395 -1.613 -1.580 -0.0007 1.700 ATOM 220 HB2 ARG 15 -4.080 -2.417 -1.316 0.0327 1.200 ATOM 221 HB3 ARG 15 -3.485 -1.386 -2.643 0.0327 1.200 ATOM 222 CG ARG 15 -1.950 -1.930 -1.173 0.0390 1.700 ATOM 223 HG2 ARG 15 -1.397 -1.028 -0.907 0.0285 1.200 ATOM 224 HG3 ARG 15 -1.863 -2.691 -0.425 0.0285 1.200 ATOM 225 CD ARG 15 -1.181 -2.510 -2.362 0.0486 1.700 ATOM 226 HD2 ARG 15 -0.718 -1.692 -2.915 0.0687 1.200 ATOM 227 HD3 ARG 15 -0.399 -3.187 -2.014 0.0687 1.200 ATOM 228 NE ARG 15 -2.127 -3.218 -3.281 -0.5295 1.550 ATOM 229 HE ARG 15 -2.191 -2.907 -4.239 0.3456 1.200 ATOM 230 CZ ARG 15 -2.969 -4.110 -2.831 0.8076 1.700 ATOM 231 NH1 ARG 15 -2.873 -4.557 -1.609 -0.8627 1.550 ATOM 232 HH11 ARG 15 -3.492 -5.289 -1.283 0.4478 1.200 ATOM 233 HH12 ARG 15 -2.150 -4.222 -0.996 0.4478 1.200 ATOM 234 NH2 ARG 15 -3.874 -4.606 -3.630 -0.8627 1.550 ATOM 235 HH21 ARG 15 -4.513 -5.309 -3.286 0.4478 1.200 ATOM 236 HH22 ARG 15 -3.960 -4.270 -4.577 0.4478 1.200 ATOM 237 C ARG 15 -4.267 0.735 -1.866 0.7341 1.700 ATOM 238 O ARG 15 -3.572 1.710 -2.070 -0.5894 1.500 ATOM 239 N SER 16 -5.424 0.590 -2.458 -0.4157 1.550 ATOM 240 H SER 16 -6.001 -0.217 -2.275 0.2719 1.200 ATOM 241 CA SER 16 -5.903 1.628 -3.412 -0.0249 1.700 ATOM 242 HA SER 16 -5.250 1.647 -4.286 0.0843 1.200 ATOM 243 CB SER 16 -7.342 1.319 -3.829 0.2117 1.700 ATOM 244 HB2 SER 16 -7.663 0.368 -3.403 0.0352 1.200 ATOM 245 HB3 SER 16 -8.028 2.098 -3.496 0.0352 1.200 ATOM 246 OG SER 16 -7.410 1.228 -5.246 -0.6546 1.500 ATOM 247 HG SER 16 -7.238 2.097 -5.619 0.4275 1.200 ATOM 248 C SER 16 -5.852 2.984 -2.709 0.5973 1.700 ATOM 249 O SER 16 -5.160 3.888 -3.132 -0.5679 1.500 ATOM 250 N ALA 17 -6.563 3.127 -1.620 -0.4157 1.550 ATOM 251 H ALA 17 -7.140 2.377 -1.270 0.2719 1.200 ATOM 252 CA ALA 17 -6.531 4.418 -0.879 0.0337 1.700 ATOM 253 HA ALA 17 -6.931 5.185 -1.523 0.0823 1.200 ATOM 254 CB ALA 17 -7.464 4.346 0.332 -0.1825 1.700 ATOM 255 HB1 ALA 17 -8.485 4.156 0.000 0.0603 1.200 ATOM 256 HB2 ALA 17 -7.152 3.545 1.004 0.0603 1.200 ATOM 257 HB3 ALA 17 -7.437 5.295 0.870 0.0603 1.200 ATOM 258 C ALA 17 -5.098 4.662 -0.409 0.5973 1.700 ATOM 259 O ALA 17 -4.613 5.776 -0.400 -0.5679 1.500 ATOM 260 N PHE 18 -4.416 3.617 -0.022 -0.4157 1.550 ATOM 261 H PHE 18 -4.800 2.700 -0.158 0.2719 1.200 ATOM 262 CA PHE 18 -3.006 3.761 0.443 -0.0024 1.700 ATOM 263 HA PHE 18 -2.988 4.283 1.400 0.0978 1.200 ATOM 264 CB PHE 18 -2.397 2.371 0.590 -0.0343 1.700 ATOM 265 HB2 PHE 18 -2.811 1.980 1.494 0.0295 1.200 ATOM 266 HB3 PHE 18 -2.485 1.765 -0.243 0.0295 1.200 ATOM 267 CG PHE 18 -0.905 2.469 0.788 0.0118 1.700 ATOM 268 CD1 PHE 18 -0.386 3.134 1.905 -0.1256 1.700 ATOM 269 HD1 PHE 18 -1.048 3.593 2.624 0.1330 1.200 ATOM 270 CE1 PHE 18 1.000 3.215 2.088 -0.1704 1.700 ATOM 271 HE1 PHE 18 1.354 3.801 2.899 0.1430 1.200 ATOM 272 CZ PHE 18 1.865 2.633 1.155 -0.1072 1.700 ATOM 273 HZ PHE 18 2.889 2.817 1.340 0.1297 1.200 ATOM 274 CE2 PHE 18 1.345 1.967 0.038 -0.1704 1.700 ATOM 275 HE2 PHE 18 2.007 1.539 -0.697 0.1430 1.200 ATOM 276 CD2 PHE 18 -0.039 1.885 -0.144 -0.1256 1.700 ATOM 277 HD2 PHE 18 -0.431 1.382 -1.017 0.1330 1.200 ATOM 278 C PHE 18 -2.204 4.557 -0.585 0.5973 1.700 ATOM 279 O PHE 18 -1.238 5.217 -0.260 -0.5679 1.500 ATOM 280 N ALA 19 -2.591 4.491 -1.824 -0.4157 1.550 ATOM 281 H ALA 19 -3.405 3.953 -2.088 0.2719 1.200 ATOM 282 CA ALA 19 -1.848 5.239 -2.878 0.0337 1.700 ATOM 283 HA ALA 19 -0.781 5.257 -2.651 0.0823 1.200 ATOM 284 CB ALA 19 -2.048 4.549 -4.228 -0.1825 1.700 ATOM 285 HB1 ALA 19 -1.773 3.497 -4.146 0.0603 1.200 ATOM 286 HB2 ALA 19 -3.089 4.623 -4.541 0.0603 1.200 ATOM 287 HB3 ALA 19 -1.415 5.018 -4.982 0.0603 1.200 ATOM 288 C ALA 19 -2.368 6.679 -2.961 0.5973 1.700 ATOM 289 O ALA 19 -2.321 7.304 -4.002 -0.5679 1.500 ATOM 304 N LEU 21 -1.516 8.933 -0.365 -0.4157 1.550 ATOM 305 H LEU 21 -1.486 7.926 -0.296 0.2719 1.200 ATOM 306 CA LEU 21 -0.519 9.746 0.388 -0.0518 1.700 ATOM 307 HA LEU 21 -1.007 10.638 0.783 0.0922 1.200 ATOM 308 CB LEU 21 0.034 8.918 1.558 -0.1102 1.700 ATOM 309 HB2 LEU 21 0.840 8.286 1.183 0.0457 1.200 ATOM 310 HB3 LEU 21 0.406 9.525 2.364 0.0457 1.200 ATOM 311 CG LEU 21 -1.085 8.074 2.174 0.3531 1.700 ATOM 312 HG LEU 21 -2.044 8.060 1.667 -0.0361 1.200 ATOM 313 CD1 LEU 21 -0.623 6.619 2.290 -0.4121 1.700 ATOM 314 HD11 LEU 21 0.009 6.327 1.455 0.1000 1.200 ATOM 315 HD12 LEU 21 -0.064 6.495 3.205 0.1000 1.200 ATOM 316 HD13 LEU 21 -1.497 5.970 2.338 0.1000 1.200 ATOM 317 CD2 LEU 21 -1.413 8.614 3.568 -0.4121 1.700 ATOM 318 HD21 LEU 21 -0.537 8.581 4.217 0.1000 1.200 ATOM 319 HD22 LEU 21 -1.767 9.643 3.488 0.1000 1.200 ATOM 320 HD23 LEU 21 -2.205 8.011 4.015 0.1000 1.200 ATOM 321 C LEU 21 0.613 10.128 -0.576 0.5973 1.700 ATOM 322 O LEU 21 0.644 9.653 -1.695 -0.5679 1.500 ATOM 323 N PRO 22 1.506 10.976 -0.131 -0.2548 1.550 ATOM 324 CD PRO 22 1.474 11.547 1.225 0.0192 1.700 ATOM 325 HD2 PRO 22 1.675 10.831 1.995 0.0391 1.200 ATOM 326 HD3 PRO 22 0.554 12.102 1.413 0.0391 1.200 ATOM 327 CG PRO 22 2.690 12.484 1.283 0.0189 1.700 ATOM 328 HG2 PRO 22 3.241 12.213 2.159 0.0213 1.200 ATOM 329 HG3 PRO 22 2.334 13.510 1.388 0.0213 1.200 ATOM 330 CB PRO 22 3.453 12.350 -0.059 -0.0070 1.700 ATOM 331 HB2 PRO 22 4.372 11.807 0.103 0.0253 1.200 ATOM 332 HB3 PRO 22 3.599 13.320 -0.535 0.0253 1.200 ATOM 333 CA PRO 22 2.631 11.430 -0.968 -0.0266 1.700 ATOM 334 HA PRO 22 2.252 11.987 -1.826 0.0641 1.200 ATOM 335 C PRO 22 3.461 10.229 -1.425 0.5896 1.700 ATOM 336 O PRO 22 3.585 9.251 -0.721 -0.5748 1.500 ATOM 337 N LEU 23 4.021 10.291 -2.604 -0.4157 1.550 ATOM 338 H LEU 23 3.879 11.093 -3.201 0.2719 1.200 ATOM 339 CA LEU 23 4.831 9.145 -3.107 -0.0518 1.700 ATOM 340 HA LEU 23 4.171 8.304 -3.215 0.0922 1.200 ATOM 341 CB LEU 23 5.465 9.516 -4.450 -0.1102 1.700 ATOM 342 HB2 LEU 23 4.914 10.333 -4.920 0.0457 1.200 ATOM 343 HB3 LEU 23 6.497 9.844 -4.315 0.0457 1.200 ATOM 344 CG LEU 23 5.424 8.305 -5.385 0.3531 1.700 ATOM 345 HG LEU 23 6.029 8.508 -6.270 -0.0361 1.200 ATOM 346 CD1 LEU 23 5.981 7.081 -4.657 -0.4121 1.700 ATOM 347 HD11 LEU 23 6.939 7.314 -4.193 0.1000 1.200 ATOM 348 HD12 LEU 23 5.264 6.660 -3.967 0.1000 1.200 ATOM 349 HD13 LEU 23 6.170 6.308 -5.402 0.1000 1.200 ATOM 350 CD2 LEU 23 3.978 8.034 -5.803 -0.4121 1.700 ATOM 351 HD21 LEU 23 3.282 8.053 -4.983 0.1000 1.200 ATOM 352 HD22 LEU 23 3.666 8.809 -6.504 0.1000 1.200 ATOM 353 HD23 LEU 23 3.910 7.073 -6.314 0.1000 1.200 ATOM 354 C LEU 23 5.927 8.797 -2.105 0.5973 1.700 ATOM 355 O LEU 23 6.191 7.640 -1.845 -0.5679 1.500 ATOM 380 N LYS 25 5.735 9.212 0.931 -0.3479 1.550 ATOM 381 H LYS 25 5.276 9.901 0.352 0.2747 1.200 ATOM 382 CA LYS 25 5.003 8.619 2.065 -0.2400 1.700 ATOM 383 HA LYS 25 5.660 8.584 2.933 0.1426 1.200 ATOM 384 CB LYS 25 3.750 9.441 2.323 -0.0094 1.700 ATOM 385 HB2 LYS 25 3.890 10.345 1.767 0.0362 1.200 ATOM 386 HB3 LYS 25 2.860 8.942 1.948 0.0362 1.200 ATOM 387 CG LYS 25 3.680 9.795 3.803 0.0187 1.700 ATOM 388 HG2 LYS 25 4.663 9.794 4.221 0.0103 1.200 ATOM 389 HG3 LYS 25 3.274 10.801 3.891 0.0103 1.200 ATOM 390 CD LYS 25 2.685 8.869 4.511 -0.0479 1.700 ATOM 391 HD2 LYS 25 2.072 9.472 5.183 0.0621 1.200 ATOM 392 HD3 LYS 25 2.015 8.357 3.823 0.0621 1.200 ATOM 393 CE LYS 25 3.445 7.844 5.363 -0.0143 1.700 ATOM 394 HE2 LYS 25 2.761 7.363 6.060 0.1135 1.200 ATOM 395 HE3 LYS 25 3.900 7.116 4.693 0.1135 1.200 ATOM 396 NZ LYS 25 4.521 8.535 6.129 -0.3854 1.550 ATOM 397 HZ1 LYS 25 5.201 8.932 5.498 0.3400 1.200 ATOM 398 HZ2 LYS 25 4.120 9.266 6.700 0.3400 1.200 ATOM 399 HZ3 LYS 25 4.989 7.869 6.730 0.3400 1.200 ATOM 400 C LYS 25 4.625 7.193 1.682 0.7341 1.700 ATOM 401 O LYS 25 4.482 6.327 2.520 -0.5894 1.500 ATOM 402 N GLN 26 4.485 6.942 0.407 -0.4157 1.550 ATOM 403 H GLN 26 4.602 7.674 -0.279 0.2719 1.200 ATOM 404 CA GLN 26 4.144 5.576 -0.045 -0.0031 1.700 ATOM 405 HA GLN 26 3.272 5.207 0.499 0.0850 1.200 ATOM 406 CB GLN 26 3.848 5.590 -1.535 -0.0036 1.700 ATOM 407 HB2 GLN 26 4.701 5.832 -2.147 0.0171 1.200 ATOM 408 HB3 GLN 26 3.543 4.567 -1.758 0.0171 1.200 ATOM 409 CG GLN 26 2.704 6.555 -1.799 -0.0645 1.700 ATOM 410 HG2 GLN 26 1.891 6.412 -1.085 0.0352 1.200 ATOM 411 HG3 GLN 26 3.031 7.536 -1.811 0.0352 1.200 ATOM 412 CD GLN 26 2.181 6.345 -3.219 0.6951 1.700 ATOM 413 OE1 GLN 26 1.451 7.167 -3.739 -0.6086 1.500 ATOM 414 NE2 GLN 26 2.526 5.269 -3.872 -0.9407 1.550 ATOM 415 HE21 GLN 26 2.156 5.137 -4.802 0.4251 1.200 ATOM 416 HE22 GLN 26 3.131 4.587 -3.449 0.4251 1.200 ATOM 417 C GLN 26 5.339 4.669 0.217 0.5973 1.700 ATOM 418 O GLN 26 5.362 3.913 1.164 -0.5679 1.500 ATOM 419 N GLN 27 6.341 4.759 -0.616 -0.4157 1.550 ATOM 420 H GLN 27 6.324 5.439 -1.364 0.2719 1.200 ATOM 421 CA GLN 27 7.556 3.918 -0.427 -0.0031 1.700 ATOM 422 HA GLN 27 7.483 2.919 -0.816 0.0850 1.200 ATOM 423 CB GLN 27 8.737 4.568 -1.148 -0.0036 1.700 ATOM 424 HB2 GLN 27 8.882 5.590 -0.793 0.0171 1.200 ATOM 425 HB3 GLN 27 9.628 3.980 -0.925 0.0171 1.200 ATOM 426 CG GLN 27 8.470 4.571 -2.654 -0.0645 1.700 ATOM 427 HG2 GLN 27 8.217 3.567 -2.996 0.0352 1.200 ATOM 428 HG3 GLN 27 7.643 5.243 -2.887 0.0352 1.200 ATOM 429 CD GLN 27 9.723 5.042 -3.397 0.6951 1.700 ATOM 430 OE1 GLN 27 10.816 4.977 -2.871 -0.6086 1.500 ATOM 431 NE2 GLN 27 9.604 5.522 -4.606 -0.9407 1.550 ATOM 432 HE21 GLN 27 10.430 5.851 -5.085 0.4251 1.200 ATOM 433 HE22 GLN 27 8.698 5.585 -5.043 0.4251 1.200 ATOM 434 C GLN 27 7.865 3.793 1.064 0.5973 1.700 ATOM 435 O GLN 27 8.290 2.757 1.531 -0.5679 1.500 ATOM 436 N ASN 28 7.648 4.833 1.820 -0.4157 1.550 ATOM 437 H ASN 28 7.313 5.702 1.428 0.2719 1.200 ATOM 438 CA ASN 28 7.931 4.758 3.280 0.0143 1.700 ATOM 439 HA ASN 28 8.921 4.334 3.446 0.1048 1.200 ATOM 440 CB ASN 28 7.791 6.146 3.901 -0.2041 1.700 ATOM 441 HB2 ASN 28 7.031 6.736 3.399 0.0797 1.200 ATOM 442 HB3 ASN 28 7.503 6.052 4.949 0.0797 1.200 ATOM 443 CG ASN 28 9.154 6.839 3.894 0.7130 1.700 ATOM 444 OD1 ASN 28 10.177 6.190 3.799 -0.5931 1.500 ATOM 445 ND2 ASN 28 9.210 8.138 3.986 -0.9191 1.550 ATOM 446 HD21 ASN 28 10.115 8.584 4.000 0.4196 1.200 ATOM 447 HD22 ASN 28 8.365 8.679 4.044 0.4196 1.200 ATOM 448 C ASN 28 6.946 3.796 3.944 0.5973 1.700 ATOM 449 O ASN 28 7.300 2.697 4.312 -0.5679 1.500 ATOM 450 N LEU 29 5.713 4.195 4.097 -0.4157 1.550 ATOM 451 H LEU 29 5.415 5.096 3.753 0.2719 1.200 ATOM 452 CA LEU 29 4.717 3.288 4.737 -0.0518 1.700 ATOM 453 HA LEU 29 4.905 3.266 5.804 0.0922 1.200 ATOM 454 CB LEU 29 3.300 3.763 4.411 -0.1102 1.700 ATOM 455 HB2 LEU 29 3.317 4.201 3.415 0.0457 1.200 ATOM 456 HB3 LEU 29 2.616 2.913 4.440 0.0457 1.200 ATOM 457 CG LEU 29 2.863 4.798 5.447 0.3531 1.700 ATOM 458 HG LEU 29 3.683 5.481 5.601 -0.0361 1.200 ATOM 459 CD1 LEU 29 1.579 5.484 4.978 -0.4121 1.700 ATOM 460 HD11 LEU 29 1.798 5.995 4.043 0.1000 1.200 ATOM 461 HD12 LEU 29 0.793 4.745 4.823 0.1000 1.200 ATOM 462 HD13 LEU 29 1.221 6.196 5.720 0.1000 1.200 ATOM 463 CD2 LEU 29 2.612 4.104 6.788 -0.4121 1.700 ATOM 464 HD21 LEU 29 3.518 3.683 7.217 0.1000 1.200 ATOM 465 HD22 LEU 29 2.227 4.833 7.501 0.1000 1.200 ATOM 466 HD23 LEU 29 1.866 3.318 6.667 0.1000 1.200 ATOM 467 C LEU 29 4.910 1.870 4.191 0.5973 1.700 ATOM 468 O LEU 29 4.598 0.893 4.837 -0.5679 1.500 ATOM 469 N LYS 30 5.422 1.763 2.999 -0.3479 1.550 ATOM 470 H LYS 30 5.690 2.591 2.488 0.2747 1.200 ATOM 471 CA LYS 30 5.645 0.426 2.377 -0.2400 1.700 ATOM 472 HA LYS 30 4.734 -0.166 2.440 0.1426 1.200 ATOM 473 CB LYS 30 6.005 0.628 0.912 -0.0094 1.700 ATOM 474 HB2 LYS 30 6.874 1.225 0.742 0.0362 1.200 ATOM 475 HB3 LYS 30 6.203 -0.356 0.485 0.0362 1.200 ATOM 476 CG LYS 30 4.808 1.254 0.187 0.0187 1.700 ATOM 477 HG2 LYS 30 3.987 0.537 0.244 0.0103 1.200 ATOM 478 HG3 LYS 30 4.438 2.106 0.618 0.0103 1.200 ATOM 479 CD LYS 30 5.129 1.475 -1.297 -0.0479 1.700 ATOM 480 HD2 LYS 30 4.250 1.960 -1.725 0.0621 1.200 ATOM 481 HD3 LYS 30 5.956 2.113 -1.510 0.0621 1.200 ATOM 482 CE LYS 30 5.330 0.125 -1.987 -0.0143 1.700 ATOM 483 HE2 LYS 30 6.391 -0.127 -2.006 0.1135 1.200 ATOM 484 HE3 LYS 30 4.792 -0.647 -1.434 0.1135 1.200 ATOM 485 NZ LYS 30 4.779 0.192 -3.370 -0.3854 1.550 ATOM 486 HZ1 LYS 30 3.796 0.423 -3.339 0.3400 1.200 ATOM 487 HZ2 LYS 30 5.270 0.899 -3.900 0.3400 1.200 ATOM 488 HZ3 LYS 30 4.895 -0.702 -3.827 0.3400 1.200 ATOM 489 C LYS 30 6.797 -0.292 3.077 0.7341 1.700 ATOM 490 O LYS 30 6.593 -1.144 3.912 -0.5894 1.500 ATOM 491 N LYS 31 8.012 0.034 2.745 -0.3479 1.550 ATOM 492 H LYS 31 8.193 0.789 2.101 0.2747 1.200 ATOM 493 CA LYS 31 9.148 -0.655 3.421 -0.2400 1.700 ATOM 494 HA LYS 31 9.193 -1.687 3.082 0.1426 1.200 ATOM 495 CB LYS 31 10.464 0.051 3.104 -0.0094 1.700 ATOM 496 HB2 LYS 31 10.432 1.101 3.398 0.0362 1.200 ATOM 497 HB3 LYS 31 11.244 -0.427 3.699 0.0362 1.200 ATOM 498 CG LYS 31 10.801 -0.182 1.632 0.0187 1.700 ATOM 499 HG2 LYS 31 11.889 -0.213 1.552 0.0103 1.200 ATOM 500 HG3 LYS 31 10.409 -1.130 1.261 0.0103 1.200 ATOM 501 CD LYS 31 10.262 0.988 0.809 -0.0479 1.700 ATOM 502 HD2 LYS 31 9.300 0.783 0.338 0.0621 1.200 ATOM 503 HD3 LYS 31 10.268 1.837 1.473 0.0621 1.200 ATOM 504 CE LYS 31 11.330 1.468 -0.178 -0.0143 1.700 ATOM 505 HE2 LYS 31 11.077 2.473 -0.517 0.1135 1.200 ATOM 506 HE3 LYS 31 12.302 1.501 0.317 0.1135 1.200 ATOM 507 NZ LYS 31 11.379 0.553 -1.356 -0.3854 1.550 ATOM 508 HZ1 LYS 31 10.486 0.549 -1.825 0.3400 1.200 ATOM 509 HZ2 LYS 31 12.095 0.866 -1.998 0.3400 1.200 ATOM 510 HZ3 LYS 31 11.603 -0.382 -1.045 0.3400 1.200 ATOM 511 C LYS 31 8.888 -0.646 4.923 0.7341 1.700 ATOM 512 O LYS 31 9.399 -1.467 5.658 -0.5894 1.500 ATOM 513 N GLU 32 8.053 0.249 5.381 -0.5163 1.550 ATOM 514 H GLU 32 7.629 0.930 4.772 0.2936 1.200 ATOM 515 CA GLU 32 7.724 0.262 6.834 0.0397 1.700 ATOM 516 HA GLU 32 8.616 0.097 7.442 0.1105 1.200 ATOM 517 CB GLU 32 7.066 1.588 7.248 0.0560 1.700 ATOM 518 HB2 GLU 32 6.268 1.815 6.556 -0.0173 1.200 ATOM 519 HB3 GLU 32 6.590 1.461 8.219 -0.0173 1.200 ATOM 520 CG GLU 32 8.092 2.728 7.208 0.0136 1.700 ATOM 521 HG2 GLU 32 9.080 2.375 6.907 -0.0425 1.200 ATOM 522 HG3 GLU 32 7.763 3.498 6.515 -0.0425 1.200 ATOM 523 CD GLU 32 8.185 3.395 8.586 0.8054 1.700 ATOM 524 OE1 GLU 32 8.023 2.699 9.575 -0.8188 1.500 ATOM 525 OE2 GLU 32 8.416 4.593 8.625 -0.8188 1.500 ATOM 526 C GLU 32 6.739 -0.886 7.066 0.5366 1.700 ATOM 527 O GLU 32 6.767 -1.557 8.079 -0.5819 1.500 ATOM 528 N LYS 33 5.873 -1.115 6.110 -0.3479 1.550 ATOM 529 H LYS 33 5.805 -0.486 5.327 0.2747 1.200 ATOM 530 CA LYS 33 4.881 -2.220 6.234 -0.2400 1.700 ATOM 531 HA LYS 33 5.326 -3.089 6.722 0.1426 1.200 ATOM 532 CB LYS 33 3.673 -1.752 7.017 -0.0094 1.700 ATOM 533 HB2 LYS 33 2.735 -2.169 6.681 0.0362 1.200 ATOM 534 HB3 LYS 33 3.821 -2.066 8.051 0.0362 1.200 ATOM 535 CG LYS 33 3.640 -0.245 6.975 0.0187 1.700 ATOM 536 HG2 LYS 33 4.515 0.356 7.206 0.0103 1.200 ATOM 537 HG3 LYS 33 3.100 -0.042 6.058 0.0103 1.200 ATOM 538 CD LYS 33 2.597 0.259 7.961 -0.0479 1.700 ATOM 539 HD2 LYS 33 2.220 1.226 7.629 0.0621 1.200 ATOM 540 HD3 LYS 33 1.771 -0.431 8.011 0.0621 1.200 ATOM 541 CE LYS 33 3.246 0.435 9.331 -0.0143 1.700 ATOM 542 HE2 LYS 33 3.787 -0.476 9.592 0.1135 1.200 ATOM 543 HE3 LYS 33 3.949 1.270 9.303 0.1135 1.200 ATOM 544 NZ LYS 33 2.184 0.683 10.342 -0.3854 1.550 ATOM 545 HZ1 LYS 33 1.694 1.538 10.121 0.3400 1.200 ATOM 546 HZ2 LYS 33 1.528 -0.087 10.337 0.3400 1.200 ATOM 547 HZ3 LYS 33 2.600 0.759 11.259 0.3400 1.200 ATOM 548 C LYS 33 4.385 -2.646 4.857 0.7341 1.700 ATOM 549 O LYS 33 4.704 -2.054 3.848 -0.5894 1.500 ATOM 550 N GLY 34 3.574 -3.660 4.816 -0.4157 1.550 ATOM 551 H GLY 34 3.339 -4.162 5.659 0.2719 1.200 ATOM 552 CA GLY 34 3.022 -4.120 3.518 -0.0252 1.700 ATOM 553 HA2 GLY 34 2.358 -4.958 3.705 0.0698 1.200 ATOM 554 HA3 GLY 34 2.526 -3.311 2.987 0.0698 1.200 ATOM 555 C GLY 34 4.133 -4.723 2.665 0.5973 1.700 ATOM 556 O GLY 34 3.874 -5.345 1.657 -0.5679 1.500 ATOM 557 N LEU 35 5.372 -4.562 3.049 -0.4157 1.550 ATOM 558 H LEU 35 5.605 -4.043 3.882 0.2719 1.200 ATOM 559 CA LEU 35 6.459 -5.151 2.227 -0.0518 1.700 ATOM 560 HA LEU 35 6.242 -5.000 1.169 0.0922 1.200 ATOM 561 CB LEU 35 7.784 -4.461 2.539 -0.1102 1.700 ATOM 562 HB2 LEU 35 8.466 -4.580 1.696 0.0457 1.200 ATOM 563 HB3 LEU 35 7.601 -3.395 2.675 0.0457 1.200 ATOM 564 CG LEU 35 8.356 -5.093 3.781 0.3531 1.700 ATOM 565 HG LEU 35 7.619 -5.547 4.433 -0.0361 1.200 ATOM 566 CD1 LEU 35 9.441 -6.100 3.403 -0.4121 1.700 ATOM 567 HD11 LEU 35 10.266 -5.585 2.909 0.1000 1.200 ATOM 568 HD12 LEU 35 9.826 -6.560 4.313 0.1000 1.200 ATOM 569 HD13 LEU 35 9.110 -6.898 2.755 0.1000 1.200 ATOM 570 CD2 LEU 35 8.939 -4.009 4.691 -0.4121 1.700 ATOM 571 HD21 LEU 35 9.735 -3.479 4.171 0.1000 1.200 ATOM 572 HD22 LEU 35 8.118 -3.352 4.977 0.1000 1.200 ATOM 573 HD23 LEU 35 9.346 -4.464 5.594 0.1000 1.200 ATOM 574 C LEU 35 6.546 -6.658 2.513 0.5973 1.700 ATOM 575 O LEU 35 7.086 -7.414 1.728 -0.5679 1.500 TER END