USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 495 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ -165:sc= -0.0186 (180deg=-0.206) USER MOD Single : A 12 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.108) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -124:sc= 0.692 (180deg=-0.237) USER MOD Single : A 34 CYS SG : rot 180:sc= -2.18 USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= -0.863 (180deg=-1.88!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0398) USER MOD Single : A 65 LYS NZ :NH3+ 146:sc= 0.778 (180deg=0.154) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 7 -7.096 -1.388 7.202 1.00 0.00 N ATOM 94 CA LEU A 7 -6.421 -1.138 5.932 1.00 0.00 C ATOM 95 C LEU A 7 -5.065 -0.473 6.153 1.00 0.00 C ATOM 96 O LEU A 7 -4.149 -0.627 5.344 1.00 0.00 O ATOM 97 CB LEU A 7 -7.294 -0.255 5.038 1.00 0.00 C ATOM 98 CG LEU A 7 -7.248 -0.594 3.548 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.169 0.327 2.762 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.823 -0.497 3.025 1.00 0.00 C ATOM 0 HA LEU A 7 -6.256 -2.097 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.327 -0.327 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.987 0.783 5.168 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.595 -1.619 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.123 0.071 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.192 0.210 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.853 1.361 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.808 -0.741 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.451 0.517 3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.188 -1.197 3.568 1.00 0.00 H new ATOM 112 N GLU A 8 -4.944 0.271 7.247 1.00 0.00 N ATOM 113 CA GLU A 8 -3.702 0.964 7.569 1.00 0.00 C ATOM 114 C GLU A 8 -2.648 -0.005 8.097 1.00 0.00 C ATOM 115 O GLU A 8 -1.460 0.141 7.811 1.00 0.00 O ATOM 116 CB GLU A 8 -3.962 2.061 8.603 1.00 0.00 C ATOM 117 CG GLU A 8 -4.987 3.089 8.155 1.00 0.00 C ATOM 118 CD GLU A 8 -5.565 3.880 9.313 1.00 0.00 C ATOM 119 OE1 GLU A 8 -5.663 3.318 10.425 1.00 0.00 O ATOM 120 OE2 GLU A 8 -5.920 5.060 9.108 1.00 0.00 O ATOM 0 H GLU A 8 -5.692 0.410 7.927 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.323 1.414 6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.303 1.601 9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.024 2.569 8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.522 3.775 7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.795 2.584 7.626 1.00 0.00 H new ATOM 127 N GLU A 9 -3.090 -0.991 8.873 1.00 0.00 N ATOM 128 CA GLU A 9 -2.180 -1.979 9.444 1.00 0.00 C ATOM 129 C GLU A 9 -1.687 -2.962 8.384 1.00 0.00 C ATOM 130 O GLU A 9 -0.666 -3.626 8.566 1.00 0.00 O ATOM 131 CB GLU A 9 -2.868 -2.734 10.586 1.00 0.00 C ATOM 132 CG GLU A 9 -3.941 -3.711 10.124 1.00 0.00 C ATOM 133 CD GLU A 9 -3.776 -5.089 10.733 1.00 0.00 C ATOM 134 OE1 GLU A 9 -2.693 -5.689 10.561 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.728 -5.569 11.384 1.00 0.00 O ATOM 0 H GLU A 9 -4.070 -1.127 9.120 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.313 -1.448 9.837 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.114 -3.280 11.153 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.318 -2.011 11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.923 -3.317 10.386 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.910 -3.792 9.037 1.00 0.00 H new ATOM 142 N LYS A 10 -2.419 -3.056 7.277 1.00 0.00 N ATOM 143 CA LYS A 10 -2.057 -3.963 6.193 1.00 0.00 C ATOM 144 C LYS A 10 -0.832 -3.453 5.439 1.00 0.00 C ATOM 145 O LYS A 10 0.116 -4.199 5.198 1.00 0.00 O ATOM 146 CB LYS A 10 -3.235 -4.131 5.232 1.00 0.00 C ATOM 147 CG LYS A 10 -3.814 -5.536 5.219 1.00 0.00 C ATOM 148 CD LYS A 10 -3.177 -6.391 4.136 1.00 0.00 C ATOM 149 CE LYS A 10 -3.519 -7.862 4.315 1.00 0.00 C ATOM 150 NZ LYS A 10 -2.838 -8.450 5.503 1.00 0.00 N ATOM 0 H LYS A 10 -3.267 -2.515 7.108 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.810 -4.932 6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.020 -3.426 5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.911 -3.871 4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.659 -6.004 6.191 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.891 -5.485 5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.518 -6.054 3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.095 -6.262 4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.598 -7.973 4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.229 -8.414 3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.884 -9.488 5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.843 -8.148 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.311 -8.125 6.370 1.00 0.00 H new ATOM 164 N VAL A 11 -0.862 -2.178 5.066 1.00 0.00 N ATOM 165 CA VAL A 11 0.241 -1.567 4.336 1.00 0.00 C ATOM 166 C VAL A 11 1.482 -1.434 5.208 1.00 0.00 C ATOM 167 O VAL A 11 2.604 -1.462 4.712 1.00 0.00 O ATOM 168 CB VAL A 11 -0.142 -0.178 3.789 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.947 0.357 2.869 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.479 -0.241 3.065 1.00 0.00 C ATOM 0 H VAL A 11 -1.640 -1.547 5.258 1.00 0.00 H new ATOM 0 HA VAL A 11 0.463 -2.230 3.499 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.241 0.508 4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.657 1.338 2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.882 0.442 3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.083 -0.326 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.734 0.748 2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.410 -0.942 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.252 -0.574 3.757 1.00 0.00 H new ATOM 180 N LYS A 12 1.269 -1.288 6.509 1.00 0.00 N ATOM 181 CA LYS A 12 2.372 -1.151 7.458 1.00 0.00 C ATOM 182 C LYS A 12 3.271 -2.379 7.410 1.00 0.00 C ATOM 183 O LYS A 12 4.493 -2.272 7.517 1.00 0.00 O ATOM 184 CB LYS A 12 1.833 -0.949 8.877 1.00 0.00 C ATOM 185 CG LYS A 12 2.684 -0.017 9.723 1.00 0.00 C ATOM 186 CD LYS A 12 1.898 0.543 10.897 1.00 0.00 C ATOM 187 CE LYS A 12 1.759 -0.479 12.015 1.00 0.00 C ATOM 188 NZ LYS A 12 0.430 -1.149 11.992 1.00 0.00 N ATOM 0 H LYS A 12 0.342 -1.261 6.934 1.00 0.00 H new ATOM 0 HA LYS A 12 2.960 -0.277 7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.820 -0.550 8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.766 -1.917 9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.557 -0.555 10.092 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.051 0.803 9.106 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.397 1.434 11.278 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.908 0.851 10.560 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.545 -1.228 11.922 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.901 0.014 12.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.315 -1.723 12.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.321 -0.430 11.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.365 -1.763 11.155 1.00 0.00 H new ATOM 202 N ALA A 13 2.661 -3.543 7.219 1.00 0.00 N ATOM 203 CA ALA A 13 3.411 -4.790 7.121 1.00 0.00 C ATOM 204 C ALA A 13 3.988 -4.924 5.720 1.00 0.00 C ATOM 205 O ALA A 13 4.984 -5.611 5.495 1.00 0.00 O ATOM 206 CB ALA A 13 2.520 -5.978 7.451 1.00 0.00 C ATOM 0 H ALA A 13 1.651 -3.650 7.129 1.00 0.00 H new ATOM 0 HA ALA A 13 4.228 -4.774 7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.098 -6.899 7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.138 -5.875 8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.685 -6.012 6.751 1.00 0.00 H new ATOM 212 N LEU A 14 3.342 -4.240 4.784 1.00 0.00 N ATOM 213 CA LEU A 14 3.748 -4.231 3.392 1.00 0.00 C ATOM 214 C LEU A 14 5.109 -3.555 3.223 1.00 0.00 C ATOM 215 O LEU A 14 5.832 -3.821 2.262 1.00 0.00 O ATOM 216 CB LEU A 14 2.685 -3.496 2.574 1.00 0.00 C ATOM 217 CG LEU A 14 2.587 -3.903 1.103 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.142 -4.205 0.737 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.150 -2.812 0.203 1.00 0.00 C ATOM 0 H LEU A 14 2.516 -3.673 4.975 1.00 0.00 H new ATOM 0 HA LEU A 14 3.843 -5.258 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.715 -3.658 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.889 -2.426 2.624 1.00 0.00 H new ATOM 0 HG LEU A 14 3.181 -4.805 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.085 -4.494 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.772 -5.021 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.532 -3.317 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.070 -3.123 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.586 -1.891 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.197 -2.640 0.451 1.00 0.00 H new ATOM 231 N GLU A 15 5.443 -2.671 4.160 1.00 0.00 N ATOM 232 CA GLU A 15 6.705 -1.942 4.121 1.00 0.00 C ATOM 233 C GLU A 15 7.874 -2.829 4.543 1.00 0.00 C ATOM 234 O GLU A 15 8.852 -2.969 3.809 1.00 0.00 O ATOM 235 CB GLU A 15 6.617 -0.706 5.027 1.00 0.00 C ATOM 236 CG GLU A 15 7.959 -0.039 5.292 1.00 0.00 C ATOM 237 CD GLU A 15 7.820 1.275 6.038 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.867 2.027 5.742 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.663 1.551 6.916 1.00 0.00 O ATOM 0 H GLU A 15 4.852 -2.442 4.959 1.00 0.00 H new ATOM 0 HA GLU A 15 6.886 -1.625 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.945 0.020 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.172 -0.996 5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.589 -0.716 5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.466 0.138 4.344 1.00 0.00 H new ATOM 246 N GLU A 16 7.773 -3.419 5.732 1.00 0.00 N ATOM 247 CA GLU A 16 8.830 -4.286 6.249 1.00 0.00 C ATOM 248 C GLU A 16 9.290 -5.288 5.192 1.00 0.00 C ATOM 249 O GLU A 16 10.453 -5.691 5.170 1.00 0.00 O ATOM 250 CB GLU A 16 8.348 -5.028 7.498 1.00 0.00 C ATOM 251 CG GLU A 16 6.987 -5.682 7.332 1.00 0.00 C ATOM 252 CD GLU A 16 6.608 -6.546 8.519 1.00 0.00 C ATOM 253 OE1 GLU A 16 6.053 -6.003 9.496 1.00 0.00 O ATOM 254 OE2 GLU A 16 6.866 -7.768 8.469 1.00 0.00 O ATOM 0 H GLU A 16 6.972 -3.313 6.355 1.00 0.00 H new ATOM 0 HA GLU A 16 9.679 -3.655 6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.079 -5.793 7.761 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.306 -4.328 8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.231 -4.909 7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.989 -6.292 6.429 1.00 0.00 H new ATOM 261 N LYS A 17 8.372 -5.682 4.317 1.00 0.00 N ATOM 262 CA LYS A 17 8.686 -6.632 3.256 1.00 0.00 C ATOM 263 C LYS A 17 9.473 -5.954 2.138 1.00 0.00 C ATOM 264 O LYS A 17 10.384 -6.546 1.559 1.00 0.00 O ATOM 265 CB LYS A 17 7.402 -7.243 2.693 1.00 0.00 C ATOM 266 CG LYS A 17 7.628 -8.534 1.922 1.00 0.00 C ATOM 267 CD LYS A 17 7.248 -9.752 2.748 1.00 0.00 C ATOM 268 CE LYS A 17 8.313 -10.079 3.783 1.00 0.00 C ATOM 269 NZ LYS A 17 8.592 -11.541 3.849 1.00 0.00 N ATOM 0 H LYS A 17 7.405 -5.359 4.321 1.00 0.00 H new ATOM 0 HA LYS A 17 9.301 -7.425 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.711 -7.436 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.922 -6.517 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.040 -8.518 1.004 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.675 -8.605 1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.297 -9.571 3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.104 -10.609 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.231 -9.545 3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.988 -9.727 4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.323 -11.723 4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.722 -12.049 4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.926 -11.873 2.922 1.00 0.00 H new ATOM 283 N VAL A 18 9.114 -4.710 1.842 1.00 0.00 N ATOM 284 CA VAL A 18 9.782 -3.946 0.794 1.00 0.00 C ATOM 285 C VAL A 18 11.119 -3.399 1.275 1.00 0.00 C ATOM 286 O VAL A 18 12.138 -3.533 0.596 1.00 0.00 O ATOM 287 CB VAL A 18 8.914 -2.771 0.321 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.529 -2.108 -0.903 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.492 -3.231 0.032 1.00 0.00 C ATOM 0 H VAL A 18 8.362 -4.208 2.314 1.00 0.00 H new ATOM 0 HA VAL A 18 9.948 -4.633 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 18 8.873 -2.033 1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.899 -1.278 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.522 -1.735 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.607 -2.836 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.896 -2.382 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.507 -3.992 -0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.053 -3.649 0.938 1.00 0.00 H new ATOM 299 N LYS A 19 11.108 -2.775 2.450 1.00 0.00 N ATOM 300 CA LYS A 19 12.318 -2.196 3.023 1.00 0.00 C ATOM 301 C LYS A 19 13.465 -3.206 3.037 1.00 0.00 C ATOM 302 O LYS A 19 14.632 -2.833 2.919 1.00 0.00 O ATOM 303 CB LYS A 19 12.046 -1.700 4.445 1.00 0.00 C ATOM 304 CG LYS A 19 11.383 -0.332 4.494 1.00 0.00 C ATOM 305 CD LYS A 19 12.175 0.645 5.350 1.00 0.00 C ATOM 306 CE LYS A 19 12.190 2.036 4.739 1.00 0.00 C ATOM 307 NZ LYS A 19 13.511 2.703 4.907 1.00 0.00 N ATOM 0 H LYS A 19 10.273 -2.658 3.024 1.00 0.00 H new ATOM 0 HA LYS A 19 12.613 -1.354 2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.410 -2.422 4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.987 -1.659 4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.289 0.063 3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.374 -0.431 4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.741 0.690 6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.198 0.285 5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.950 1.969 3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.414 2.645 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.479 3.649 4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.729 2.790 5.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.248 2.136 4.442 1.00 0.00 H new ATOM 321 N ALA A 20 13.125 -4.482 3.184 1.00 0.00 N ATOM 322 CA ALA A 20 14.127 -5.542 3.213 1.00 0.00 C ATOM 323 C ALA A 20 14.389 -6.104 1.818 1.00 0.00 C ATOM 324 O ALA A 20 15.338 -6.860 1.613 1.00 0.00 O ATOM 325 CB ALA A 20 13.690 -6.653 4.156 1.00 0.00 C ATOM 0 H ALA A 20 12.164 -4.808 3.285 1.00 0.00 H new ATOM 0 HA ALA A 20 15.059 -5.110 3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.446 -7.438 4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.568 -6.250 5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.742 -7.068 3.814 1.00 0.00 H new ATOM 331 N LEU A 21 13.543 -5.733 0.860 1.00 0.00 N ATOM 332 CA LEU A 21 13.685 -6.202 -0.512 1.00 0.00 C ATOM 333 C LEU A 21 14.957 -5.650 -1.147 1.00 0.00 C ATOM 334 O LEU A 21 15.903 -6.391 -1.411 1.00 0.00 O ATOM 335 CB LEU A 21 12.463 -5.790 -1.334 1.00 0.00 C ATOM 336 CG LEU A 21 11.922 -6.866 -2.276 1.00 0.00 C ATOM 337 CD1 LEU A 21 10.598 -6.427 -2.883 1.00 0.00 C ATOM 338 CD2 LEU A 21 12.934 -7.176 -3.369 1.00 0.00 C ATOM 0 H LEU A 21 12.751 -5.108 1.011 1.00 0.00 H new ATOM 0 HA LEU A 21 13.756 -7.290 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.667 -5.494 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.721 -4.910 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 21 11.751 -7.774 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.228 -7.205 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.872 -6.256 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.744 -5.505 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.532 -7.944 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.137 -6.272 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.859 -7.534 -2.917 1.00 0.00 H new ATOM 371 N GLY A 25 14.405 -0.998 -10.218 1.00 0.00 N ATOM 372 CA GLY A 25 13.442 -1.433 -11.213 1.00 0.00 C ATOM 373 C GLY A 25 12.012 -1.341 -10.717 1.00 0.00 C ATOM 374 O GLY A 25 11.526 -0.254 -10.400 1.00 0.00 O ATOM 0 HA2 GLY A 25 13.552 -0.824 -12.110 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.659 -2.463 -11.498 1.00 0.00 H new ATOM 378 N ARG A 26 11.336 -2.482 -10.650 1.00 0.00 N ATOM 379 CA ARG A 26 9.951 -2.526 -10.190 1.00 0.00 C ATOM 380 C ARG A 26 9.845 -2.094 -8.731 1.00 0.00 C ATOM 381 O ARG A 26 8.811 -1.589 -8.299 1.00 0.00 O ATOM 382 CB ARG A 26 9.372 -3.936 -10.367 1.00 0.00 C ATOM 383 CG ARG A 26 9.817 -4.931 -9.301 1.00 0.00 C ATOM 384 CD ARG A 26 11.291 -5.271 -9.439 1.00 0.00 C ATOM 385 NE ARG A 26 11.655 -6.456 -8.665 1.00 0.00 N ATOM 386 CZ ARG A 26 12.655 -7.277 -8.986 1.00 0.00 C ATOM 387 NH1 ARG A 26 13.405 -7.041 -10.056 1.00 0.00 N ATOM 388 NH2 ARG A 26 12.911 -8.336 -8.229 1.00 0.00 N ATOM 0 H ARG A 26 11.723 -3.390 -10.908 1.00 0.00 H new ATOM 0 HA ARG A 26 9.373 -1.828 -10.796 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.284 -3.874 -10.359 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.662 -4.316 -11.347 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.630 -4.514 -8.311 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.223 -5.842 -9.381 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.528 -5.438 -10.490 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.891 -4.423 -9.108 1.00 0.00 H new ATOM 0 HE ARG A 26 11.111 -6.668 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.218 -6.226 -10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.168 -7.675 -10.294 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.343 -8.521 -7.402 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.676 -8.965 -8.474 1.00 0.00 H new ATOM 402 N ILE A 27 10.917 -2.306 -7.976 1.00 0.00 N ATOM 403 CA ILE A 27 10.940 -1.950 -6.564 1.00 0.00 C ATOM 404 C ILE A 27 10.840 -0.439 -6.366 1.00 0.00 C ATOM 405 O ILE A 27 10.323 0.030 -5.353 1.00 0.00 O ATOM 406 CB ILE A 27 12.222 -2.462 -5.874 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.441 -3.945 -6.189 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.139 -2.242 -4.369 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.659 -4.534 -5.513 1.00 0.00 C ATOM 0 H ILE A 27 11.782 -2.723 -8.320 1.00 0.00 H new ATOM 0 HA ILE A 27 10.072 -2.428 -6.109 1.00 0.00 H new ATOM 0 HB ILE A 27 13.072 -1.898 -6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.559 -4.507 -5.883 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.539 -4.068 -7.268 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.051 -2.608 -3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.026 -1.178 -4.163 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.281 -2.782 -3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.751 -5.586 -5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.550 -3.997 -5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.555 -4.443 -4.432 1.00 0.00 H new ATOM 421 N GLU A 28 11.347 0.317 -7.335 1.00 0.00 N ATOM 422 CA GLU A 28 11.321 1.774 -7.259 1.00 0.00 C ATOM 423 C GLU A 28 9.893 2.314 -7.279 1.00 0.00 C ATOM 424 O GLU A 28 9.489 3.042 -6.378 1.00 0.00 O ATOM 425 CB GLU A 28 12.122 2.379 -8.414 1.00 0.00 C ATOM 426 CG GLU A 28 13.594 2.003 -8.395 1.00 0.00 C ATOM 427 CD GLU A 28 14.322 2.434 -9.655 1.00 0.00 C ATOM 428 OE1 GLU A 28 14.678 3.627 -9.754 1.00 0.00 O ATOM 429 OE2 GLU A 28 14.533 1.579 -10.539 1.00 0.00 O ATOM 0 H GLU A 28 11.780 -0.054 -8.181 1.00 0.00 H new ATOM 0 HA GLU A 28 11.776 2.062 -6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.685 2.054 -9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.032 3.465 -8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.071 2.462 -7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.688 0.924 -8.276 1.00 0.00 H new ATOM 436 N GLU A 29 9.135 1.961 -8.313 1.00 0.00 N ATOM 437 CA GLU A 29 7.754 2.424 -8.441 1.00 0.00 C ATOM 438 C GLU A 29 6.906 1.968 -7.256 1.00 0.00 C ATOM 439 O GLU A 29 5.912 2.607 -6.911 1.00 0.00 O ATOM 440 CB GLU A 29 7.139 1.914 -9.748 1.00 0.00 C ATOM 441 CG GLU A 29 5.658 2.239 -9.900 1.00 0.00 C ATOM 442 CD GLU A 29 5.331 2.866 -11.241 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.164 3.646 -11.751 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.243 2.578 -11.783 1.00 0.00 O ATOM 0 H GLU A 29 9.451 1.358 -9.073 1.00 0.00 H new ATOM 0 HA GLU A 29 7.768 3.514 -8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.684 2.346 -10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.272 0.834 -9.804 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.076 1.326 -9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.356 2.918 -9.103 1.00 0.00 H new ATOM 451 N LEU A 30 7.297 0.858 -6.643 1.00 0.00 N ATOM 452 CA LEU A 30 6.565 0.317 -5.505 1.00 0.00 C ATOM 453 C LEU A 30 6.861 1.097 -4.227 1.00 0.00 C ATOM 454 O LEU A 30 6.083 1.058 -3.277 1.00 0.00 O ATOM 455 CB LEU A 30 6.917 -1.158 -5.304 1.00 0.00 C ATOM 456 CG LEU A 30 6.478 -2.089 -6.435 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.085 -3.472 -6.255 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.962 -2.173 -6.497 1.00 0.00 C ATOM 0 H LEU A 30 8.117 0.315 -6.915 1.00 0.00 H new ATOM 0 HA LEU A 30 5.501 0.411 -5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.997 -1.245 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.462 -1.501 -4.375 1.00 0.00 H new ATOM 0 HG LEU A 30 6.838 -1.678 -7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.761 -4.120 -7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.172 -3.396 -6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.757 -3.892 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.667 -2.840 -7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.580 -2.560 -5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.550 -1.180 -6.676 1.00 0.00 H new ATOM 470 N LYS A 31 7.993 1.793 -4.203 1.00 0.00 N ATOM 471 CA LYS A 31 8.392 2.567 -3.032 1.00 0.00 C ATOM 472 C LYS A 31 7.637 3.892 -2.946 1.00 0.00 C ATOM 473 O LYS A 31 6.949 4.158 -1.966 1.00 0.00 O ATOM 474 CB LYS A 31 9.898 2.830 -3.074 1.00 0.00 C ATOM 475 CG LYS A 31 10.411 3.623 -1.885 1.00 0.00 C ATOM 476 CD LYS A 31 11.787 3.143 -1.450 1.00 0.00 C ATOM 477 CE LYS A 31 11.702 2.187 -0.271 1.00 0.00 C ATOM 478 NZ LYS A 31 12.161 0.817 -0.634 1.00 0.00 N ATOM 0 H LYS A 31 8.651 1.837 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 31 8.143 1.984 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.424 1.876 -3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.139 3.369 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.458 4.681 -2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.712 3.529 -1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.280 2.647 -2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.403 4.001 -1.179 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.309 2.568 0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.674 2.143 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.088 0.195 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.566 0.443 -1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.151 0.855 -0.952 1.00 0.00 H new ATOM 492 N LYS A 32 7.781 4.723 -3.970 1.00 0.00 N ATOM 493 CA LYS A 32 7.126 6.028 -4.007 1.00 0.00 C ATOM 494 C LYS A 32 5.622 5.913 -3.763 1.00 0.00 C ATOM 495 O LYS A 32 5.022 6.768 -3.110 1.00 0.00 O ATOM 496 CB LYS A 32 7.380 6.701 -5.358 1.00 0.00 C ATOM 497 CG LYS A 32 7.677 8.188 -5.251 1.00 0.00 C ATOM 498 CD LYS A 32 7.340 8.917 -6.542 1.00 0.00 C ATOM 499 CE LYS A 32 8.336 10.029 -6.829 1.00 0.00 C ATOM 500 NZ LYS A 32 7.817 11.361 -6.410 1.00 0.00 N ATOM 0 H LYS A 32 8.349 4.516 -4.792 1.00 0.00 H new ATOM 0 HA LYS A 32 7.550 6.635 -3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.218 6.206 -5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.507 6.558 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.103 8.617 -4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.731 8.334 -5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.335 8.209 -7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.336 9.335 -6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.271 9.823 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.563 10.047 -7.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.525 12.092 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.939 11.569 -6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.624 11.353 -5.388 1.00 0.00 H new ATOM 514 N LYS A 33 5.019 4.861 -4.301 1.00 0.00 N ATOM 515 CA LYS A 33 3.585 4.637 -4.156 1.00 0.00 C ATOM 516 C LYS A 33 3.239 4.031 -2.796 1.00 0.00 C ATOM 517 O LYS A 33 2.112 4.162 -2.322 1.00 0.00 O ATOM 518 CB LYS A 33 3.075 3.730 -5.279 1.00 0.00 C ATOM 519 CG LYS A 33 1.915 4.325 -6.062 1.00 0.00 C ATOM 520 CD LYS A 33 0.853 3.281 -6.367 1.00 0.00 C ATOM 521 CE LYS A 33 0.269 2.687 -5.094 1.00 0.00 C ATOM 522 NZ LYS A 33 -1.146 3.102 -4.886 1.00 0.00 N ATOM 0 H LYS A 33 5.503 4.146 -4.844 1.00 0.00 H new ATOM 0 HA LYS A 33 3.093 5.607 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.895 3.519 -5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.763 2.777 -4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.471 5.141 -5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.285 4.752 -6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.056 3.734 -6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.287 2.486 -6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.325 1.599 -5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.869 3.000 -4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.241 3.556 -3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.423 3.774 -5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.763 2.266 -4.928 1.00 0.00 H new ATOM 536 N CYS A 34 4.199 3.343 -2.187 1.00 0.00 N ATOM 537 CA CYS A 34 3.984 2.693 -0.894 1.00 0.00 C ATOM 538 C CYS A 34 3.687 3.701 0.220 1.00 0.00 C ATOM 539 O CYS A 34 2.653 3.619 0.881 1.00 0.00 O ATOM 540 CB CYS A 34 5.225 1.880 -0.519 1.00 0.00 C ATOM 541 SG CYS A 34 4.887 0.133 -0.131 1.00 0.00 S ATOM 0 H CYS A 34 5.137 3.219 -2.568 1.00 0.00 H new ATOM 0 HA CYS A 34 3.115 2.043 -0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.938 1.926 -1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.703 2.346 0.343 1.00 0.00 H new ATOM 0 HG CYS A 34 6.000 -0.468 0.171 1.00 0.00 H new ATOM 546 N GLU A 35 4.610 4.635 0.435 1.00 0.00 N ATOM 547 CA GLU A 35 4.455 5.640 1.485 1.00 0.00 C ATOM 548 C GLU A 35 3.333 6.620 1.161 1.00 0.00 C ATOM 549 O GLU A 35 2.520 6.950 2.024 1.00 0.00 O ATOM 550 CB GLU A 35 5.766 6.398 1.701 1.00 0.00 C ATOM 551 CG GLU A 35 6.390 6.905 0.415 1.00 0.00 C ATOM 552 CD GLU A 35 6.688 8.392 0.454 1.00 0.00 C ATOM 553 OE1 GLU A 35 5.767 9.189 0.178 1.00 0.00 O ATOM 554 OE2 GLU A 35 7.843 8.758 0.758 1.00 0.00 O ATOM 0 H GLU A 35 5.473 4.717 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 35 4.191 5.116 2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.583 7.243 2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.476 5.744 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.314 6.359 0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.718 6.695 -0.417 1.00 0.00 H new ATOM 561 N GLU A 36 3.286 7.076 -0.086 1.00 0.00 N ATOM 562 CA GLU A 36 2.255 8.010 -0.520 1.00 0.00 C ATOM 563 C GLU A 36 0.866 7.445 -0.236 1.00 0.00 C ATOM 564 O GLU A 36 -0.097 8.187 -0.045 1.00 0.00 O ATOM 565 CB GLU A 36 2.404 8.310 -2.012 1.00 0.00 C ATOM 566 CG GLU A 36 1.925 9.698 -2.406 1.00 0.00 C ATOM 567 CD GLU A 36 3.055 10.705 -2.482 1.00 0.00 C ATOM 568 OE1 GLU A 36 4.010 10.587 -1.685 1.00 0.00 O ATOM 569 OE2 GLU A 36 2.987 11.611 -3.340 1.00 0.00 O ATOM 0 H GLU A 36 3.950 6.813 -0.814 1.00 0.00 H new ATOM 0 HA GLU A 36 2.375 8.938 0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.452 8.204 -2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.845 7.567 -2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.425 9.645 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.185 10.042 -1.683 1.00 0.00 H new ATOM 576 N LEU A 37 0.780 6.122 -0.227 1.00 0.00 N ATOM 577 CA LEU A 37 -0.475 5.421 0.014 1.00 0.00 C ATOM 578 C LEU A 37 -0.849 5.433 1.497 1.00 0.00 C ATOM 579 O LEU A 37 -2.021 5.559 1.848 1.00 0.00 O ATOM 580 CB LEU A 37 -0.349 3.977 -0.484 1.00 0.00 C ATOM 581 CG LEU A 37 -1.467 3.026 -0.053 1.00 0.00 C ATOM 582 CD1 LEU A 37 -2.833 3.632 -0.340 1.00 0.00 C ATOM 583 CD2 LEU A 37 -1.320 1.685 -0.755 1.00 0.00 C ATOM 0 H LEU A 37 1.576 5.505 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.268 5.935 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.308 3.990 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.601 3.573 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.386 2.867 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.612 2.938 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.938 4.568 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.928 3.824 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.122 1.019 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.374 1.831 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.358 1.243 -0.497 1.00 0.00 H new ATOM 595 N LYS A 38 0.151 5.281 2.357 1.00 0.00 N ATOM 596 CA LYS A 38 -0.071 5.252 3.802 1.00 0.00 C ATOM 597 C LYS A 38 -0.626 6.578 4.326 1.00 0.00 C ATOM 598 O LYS A 38 -1.329 6.605 5.335 1.00 0.00 O ATOM 599 CB LYS A 38 1.236 4.913 4.525 1.00 0.00 C ATOM 600 CG LYS A 38 1.246 3.524 5.144 1.00 0.00 C ATOM 601 CD LYS A 38 1.261 3.586 6.665 1.00 0.00 C ATOM 602 CE LYS A 38 2.217 2.561 7.256 1.00 0.00 C ATOM 603 NZ LYS A 38 2.960 3.105 8.426 1.00 0.00 N ATOM 0 H LYS A 38 1.127 5.175 2.080 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.815 4.481 4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.063 4.993 3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.411 5.652 5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.368 2.971 4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.120 2.976 4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.554 4.586 6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.256 3.410 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.658 1.676 7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.926 2.243 6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.849 2.579 8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.172 4.110 8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.379 3.006 9.283 1.00 0.00 H new ATOM 617 N LYS A 39 -0.300 7.674 3.650 1.00 0.00 N ATOM 618 CA LYS A 39 -0.765 8.992 4.071 1.00 0.00 C ATOM 619 C LYS A 39 -2.213 9.240 3.651 1.00 0.00 C ATOM 620 O LYS A 39 -2.927 10.009 4.291 1.00 0.00 O ATOM 621 CB LYS A 39 0.148 10.088 3.509 1.00 0.00 C ATOM 622 CG LYS A 39 -0.104 10.415 2.045 1.00 0.00 C ATOM 623 CD LYS A 39 1.192 10.730 1.314 1.00 0.00 C ATOM 624 CE LYS A 39 1.680 12.137 1.625 1.00 0.00 C ATOM 625 NZ LYS A 39 2.159 12.842 0.403 1.00 0.00 N ATOM 0 H LYS A 39 0.282 7.677 2.812 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.726 9.022 5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.017 10.994 4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.186 9.778 3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.600 9.572 1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.780 11.267 1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.957 10.007 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.040 10.626 0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.872 12.709 2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.487 12.088 2.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.483 13.797 0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.947 12.310 -0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.382 12.912 -0.285 1.00 0.00 H new ATOM 639 N LYS A 40 -2.636 8.595 2.569 1.00 0.00 N ATOM 640 CA LYS A 40 -3.997 8.759 2.064 1.00 0.00 C ATOM 641 C LYS A 40 -5.014 8.050 2.956 1.00 0.00 C ATOM 642 O LYS A 40 -6.138 8.522 3.117 1.00 0.00 O ATOM 643 CB LYS A 40 -4.100 8.230 0.633 1.00 0.00 C ATOM 644 CG LYS A 40 -5.224 8.865 -0.171 1.00 0.00 C ATOM 645 CD LYS A 40 -4.775 9.206 -1.584 1.00 0.00 C ATOM 646 CE LYS A 40 -5.354 10.533 -2.047 1.00 0.00 C ATOM 647 NZ LYS A 40 -6.698 10.368 -2.666 1.00 0.00 N ATOM 0 H LYS A 40 -2.058 7.955 2.025 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.226 9.825 2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.154 8.405 0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.251 7.151 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.073 8.183 -0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.566 9.770 0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.687 9.250 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.085 8.415 -2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.427 11.213 -1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.677 10.993 -2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.057 11.296 -2.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.625 9.740 -3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.351 9.953 -1.971 1.00 0.00 H new ATOM 661 N ILE A 41 -4.619 6.919 3.533 1.00 0.00 N ATOM 662 CA ILE A 41 -5.510 6.161 4.406 1.00 0.00 C ATOM 663 C ILE A 41 -5.797 6.936 5.687 1.00 0.00 C ATOM 664 O ILE A 41 -6.951 7.230 5.999 1.00 0.00 O ATOM 665 CB ILE A 41 -4.923 4.783 4.767 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.398 4.084 3.511 1.00 0.00 C ATOM 667 CG2 ILE A 41 -5.977 3.930 5.458 1.00 0.00 C ATOM 668 CD1 ILE A 41 -3.914 2.671 3.757 1.00 0.00 C ATOM 0 H ILE A 41 -3.693 6.509 3.413 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.438 6.007 3.855 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.088 4.923 5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.189 4.062 2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.580 4.671 3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.552 2.958 5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.307 4.428 6.370 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.828 3.792 4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.557 2.241 2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.101 2.686 4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.735 2.067 4.144 1.00 0.00 H new ATOM 680 N GLU A 42 -4.744 7.282 6.419 1.00 0.00 N ATOM 681 CA GLU A 42 -4.899 8.043 7.653 1.00 0.00 C ATOM 682 C GLU A 42 -5.606 9.365 7.367 1.00 0.00 C ATOM 683 O GLU A 42 -6.229 9.958 8.247 1.00 0.00 O ATOM 684 CB GLU A 42 -3.535 8.305 8.296 1.00 0.00 C ATOM 685 CG GLU A 42 -3.126 7.246 9.308 1.00 0.00 C ATOM 686 CD GLU A 42 -1.676 7.373 9.729 1.00 0.00 C ATOM 687 OE1 GLU A 42 -1.265 8.487 10.118 1.00 0.00 O ATOM 688 OE2 GLU A 42 -0.950 6.359 9.670 1.00 0.00 O ATOM 0 H GLU A 42 -3.780 7.049 6.181 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.504 7.460 8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.778 8.359 7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.555 9.277 8.788 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.764 7.324 10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.291 6.257 8.881 1.00 0.00 H new ATOM 695 N GLU A 43 -5.502 9.814 6.118 1.00 0.00 N ATOM 696 CA GLU A 43 -6.125 11.056 5.682 1.00 0.00 C ATOM 697 C GLU A 43 -7.583 10.831 5.281 1.00 0.00 C ATOM 698 O GLU A 43 -8.343 11.784 5.108 1.00 0.00 O ATOM 699 CB GLU A 43 -5.344 11.636 4.501 1.00 0.00 C ATOM 700 CG GLU A 43 -4.163 12.496 4.917 1.00 0.00 C ATOM 701 CD GLU A 43 -4.586 13.758 5.641 1.00 0.00 C ATOM 702 OE1 GLU A 43 -4.831 14.778 4.964 1.00 0.00 O ATOM 703 OE2 GLU A 43 -4.673 13.726 6.887 1.00 0.00 O ATOM 0 H GLU A 43 -4.986 9.328 5.385 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.107 11.759 6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.985 10.818 3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.019 12.233 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.505 11.915 5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.585 12.765 4.033 1.00 0.00 H new ATOM 710 N LEU A 44 -7.967 9.563 5.131 1.00 0.00 N ATOM 711 CA LEU A 44 -9.330 9.214 4.749 1.00 0.00 C ATOM 712 C LEU A 44 -10.276 9.332 5.938 1.00 0.00 C ATOM 713 O LEU A 44 -9.842 9.363 7.090 1.00 0.00 O ATOM 714 CB LEU A 44 -9.368 7.791 4.182 1.00 0.00 C ATOM 715 CG LEU A 44 -9.554 7.697 2.667 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.694 6.245 2.238 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.766 8.503 2.227 1.00 0.00 C ATOM 0 H LEU A 44 -7.351 8.762 5.269 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.661 9.913 3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.440 7.286 4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.179 7.246 4.666 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.671 8.115 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.826 6.196 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.797 5.694 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.560 5.802 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.882 8.424 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.659 8.115 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.627 9.549 2.502 1.00 0.00 H new ATOM 757 N GLU A 49 -15.459 7.096 -0.922 1.00 0.00 N ATOM 758 CA GLU A 49 -14.122 7.334 -1.453 1.00 0.00 C ATOM 759 C GLU A 49 -13.129 6.301 -0.926 1.00 0.00 C ATOM 760 O GLU A 49 -12.112 6.025 -1.561 1.00 0.00 O ATOM 761 CB GLU A 49 -13.650 8.742 -1.085 1.00 0.00 C ATOM 762 CG GLU A 49 -12.452 9.213 -1.895 1.00 0.00 C ATOM 763 CD GLU A 49 -11.852 10.497 -1.356 1.00 0.00 C ATOM 764 OE1 GLU A 49 -11.122 10.433 -0.345 1.00 0.00 O ATOM 765 OE2 GLU A 49 -12.112 11.567 -1.946 1.00 0.00 O ATOM 0 HA GLU A 49 -14.170 7.242 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.473 9.442 -1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.394 8.765 -0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.690 8.433 -1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.755 9.365 -2.931 1.00 0.00 H new ATOM 772 N VAL A 50 -13.433 5.731 0.236 1.00 0.00 N ATOM 773 CA VAL A 50 -12.567 4.729 0.845 1.00 0.00 C ATOM 774 C VAL A 50 -12.329 3.551 -0.097 1.00 0.00 C ATOM 775 O VAL A 50 -11.346 2.823 0.042 1.00 0.00 O ATOM 776 CB VAL A 50 -13.158 4.202 2.166 1.00 0.00 C ATOM 777 CG1 VAL A 50 -12.159 3.304 2.880 1.00 0.00 C ATOM 778 CG2 VAL A 50 -13.582 5.358 3.060 1.00 0.00 C ATOM 0 H VAL A 50 -14.272 5.946 0.774 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.617 5.222 1.050 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.042 3.608 1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.596 2.942 3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.911 2.456 2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.254 3.870 3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.997 4.966 3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.716 5.981 3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -14.337 5.956 2.549 1.00 0.00 H new ATOM 788 N LYS A 51 -13.234 3.367 -1.054 1.00 0.00 N ATOM 789 CA LYS A 51 -13.119 2.276 -2.015 1.00 0.00 C ATOM 790 C LYS A 51 -12.007 2.550 -3.025 1.00 0.00 C ATOM 791 O LYS A 51 -11.386 1.623 -3.543 1.00 0.00 O ATOM 792 CB LYS A 51 -14.448 2.070 -2.743 1.00 0.00 C ATOM 793 CG LYS A 51 -15.317 0.985 -2.127 1.00 0.00 C ATOM 794 CD LYS A 51 -15.009 -0.379 -2.722 1.00 0.00 C ATOM 795 CE LYS A 51 -16.188 -1.329 -2.580 1.00 0.00 C ATOM 796 NZ LYS A 51 -15.747 -2.727 -2.319 1.00 0.00 N ATOM 0 H LYS A 51 -14.054 3.959 -1.184 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.867 1.368 -1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.001 3.009 -2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.247 1.816 -3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.157 0.958 -1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.368 1.224 -2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.755 -0.268 -3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.136 -0.804 -2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -16.829 -0.993 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.788 -1.302 -3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.580 -3.343 -2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.156 -3.058 -3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.196 -2.758 -1.437 1.00 0.00 H new ATOM 810 N LYS A 52 -11.764 3.828 -3.301 1.00 0.00 N ATOM 811 CA LYS A 52 -10.727 4.219 -4.250 1.00 0.00 C ATOM 812 C LYS A 52 -9.339 3.897 -3.702 1.00 0.00 C ATOM 813 O LYS A 52 -8.570 3.164 -4.325 1.00 0.00 O ATOM 814 CB LYS A 52 -10.837 5.715 -4.562 1.00 0.00 C ATOM 815 CG LYS A 52 -9.647 6.273 -5.328 1.00 0.00 C ATOM 816 CD LYS A 52 -10.079 7.284 -6.377 1.00 0.00 C ATOM 817 CE LYS A 52 -8.906 7.738 -7.234 1.00 0.00 C ATOM 818 NZ LYS A 52 -8.994 7.205 -8.623 1.00 0.00 N ATOM 0 H LYS A 52 -12.270 4.609 -2.882 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.872 3.651 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.744 5.890 -5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.945 6.264 -3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.954 6.745 -4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.108 5.457 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.846 6.843 -7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.528 8.148 -5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.878 8.827 -7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.973 7.408 -6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.177 7.537 -9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.995 6.165 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.872 7.540 -9.069 1.00 0.00 H new ATOM 832 N VAL A 53 -9.027 4.445 -2.532 1.00 0.00 N ATOM 833 CA VAL A 53 -7.733 4.212 -1.900 1.00 0.00 C ATOM 834 C VAL A 53 -7.493 2.724 -1.671 1.00 0.00 C ATOM 835 O VAL A 53 -6.351 2.267 -1.648 1.00 0.00 O ATOM 836 CB VAL A 53 -7.622 4.951 -0.553 1.00 0.00 C ATOM 837 CG1 VAL A 53 -6.196 4.894 -0.028 1.00 0.00 C ATOM 838 CG2 VAL A 53 -8.089 6.392 -0.695 1.00 0.00 C ATOM 0 H VAL A 53 -9.652 5.053 -2.003 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.976 4.600 -2.581 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.270 4.453 0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.137 5.421 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.902 3.854 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.525 5.366 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.004 6.899 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.470 6.904 -1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.129 6.407 -1.022 1.00 0.00 H new ATOM 848 N GLU A 54 -8.577 1.973 -1.504 1.00 0.00 N ATOM 849 CA GLU A 54 -8.482 0.536 -1.281 1.00 0.00 C ATOM 850 C GLU A 54 -7.872 -0.153 -2.496 1.00 0.00 C ATOM 851 O GLU A 54 -7.093 -1.096 -2.362 1.00 0.00 O ATOM 852 CB GLU A 54 -9.863 -0.051 -0.983 1.00 0.00 C ATOM 853 CG GLU A 54 -9.813 -1.379 -0.245 1.00 0.00 C ATOM 854 CD GLU A 54 -10.923 -2.321 -0.667 1.00 0.00 C ATOM 855 OE1 GLU A 54 -10.749 -3.028 -1.681 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.967 -2.352 0.017 1.00 0.00 O ATOM 0 H GLU A 54 -9.530 2.336 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.835 0.365 -0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.432 0.664 -0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.401 -0.186 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.849 -1.855 -0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.883 -1.198 0.828 1.00 0.00 H new ATOM 863 N GLU A 55 -8.231 0.329 -3.681 1.00 0.00 N ATOM 864 CA GLU A 55 -7.718 -0.233 -4.925 1.00 0.00 C ATOM 865 C GLU A 55 -6.249 0.130 -5.116 1.00 0.00 C ATOM 866 O GLU A 55 -5.498 -0.601 -5.761 1.00 0.00 O ATOM 867 CB GLU A 55 -8.540 0.267 -6.114 1.00 0.00 C ATOM 868 CG GLU A 55 -8.090 -0.306 -7.448 1.00 0.00 C ATOM 869 CD GLU A 55 -9.245 -0.532 -8.403 1.00 0.00 C ATOM 870 OE1 GLU A 55 -9.982 0.437 -8.685 1.00 0.00 O ATOM 871 OE2 GLU A 55 -9.415 -1.678 -8.870 1.00 0.00 O ATOM 0 H GLU A 55 -8.876 1.109 -3.806 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.802 -1.318 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.588 0.013 -5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.479 1.354 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.371 0.373 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.573 -1.251 -7.278 1.00 0.00 H new ATOM 878 N GLU A 56 -5.846 1.264 -4.551 1.00 0.00 N ATOM 879 CA GLU A 56 -4.467 1.727 -4.656 1.00 0.00 C ATOM 880 C GLU A 56 -3.526 0.817 -3.869 1.00 0.00 C ATOM 881 O GLU A 56 -2.360 0.653 -4.228 1.00 0.00 O ATOM 882 CB GLU A 56 -4.355 3.164 -4.142 1.00 0.00 C ATOM 883 CG GLU A 56 -4.639 4.214 -5.204 1.00 0.00 C ATOM 884 CD GLU A 56 -3.820 5.476 -5.012 1.00 0.00 C ATOM 885 OE1 GLU A 56 -2.616 5.459 -5.344 1.00 0.00 O ATOM 886 OE2 GLU A 56 -4.382 6.482 -4.530 1.00 0.00 O ATOM 0 H GLU A 56 -6.457 1.880 -4.015 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.176 1.698 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.050 3.300 -3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.352 3.322 -3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.429 3.796 -6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.699 4.467 -5.185 1.00 0.00 H new ATOM 893 N VAL A 57 -4.045 0.227 -2.797 1.00 0.00 N ATOM 894 CA VAL A 57 -3.261 -0.671 -1.956 1.00 0.00 C ATOM 895 C VAL A 57 -3.228 -2.081 -2.537 1.00 0.00 C ATOM 896 O VAL A 57 -2.305 -2.849 -2.276 1.00 0.00 O ATOM 897 CB VAL A 57 -3.820 -0.734 -0.522 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.874 -1.503 0.387 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.072 0.667 0.019 1.00 0.00 C ATOM 0 H VAL A 57 -5.009 0.355 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.249 -0.268 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.773 -1.263 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.286 -1.537 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.753 -2.519 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.904 -1.005 0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.467 0.600 1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.137 1.227 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.793 1.179 -0.618 1.00 0.00 H new ATOM 909 N LYS A 58 -4.252 -2.413 -3.317 1.00 0.00 N ATOM 910 CA LYS A 58 -4.358 -3.728 -3.935 1.00 0.00 C ATOM 911 C LYS A 58 -3.372 -3.883 -5.092 1.00 0.00 C ATOM 912 O LYS A 58 -2.956 -4.991 -5.415 1.00 0.00 O ATOM 913 CB LYS A 58 -5.786 -3.965 -4.430 1.00 0.00 C ATOM 914 CG LYS A 58 -6.550 -4.995 -3.615 1.00 0.00 C ATOM 915 CD LYS A 58 -7.335 -4.346 -2.486 1.00 0.00 C ATOM 916 CE LYS A 58 -6.646 -4.537 -1.145 1.00 0.00 C ATOM 917 NZ LYS A 58 -7.624 -4.758 -0.043 1.00 0.00 N ATOM 0 H LYS A 58 -5.024 -1.784 -3.536 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.110 -4.473 -3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.330 -3.021 -4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.752 -4.290 -5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.232 -5.541 -4.266 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.852 -5.723 -3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.451 -3.281 -2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.337 -4.774 -2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.967 -5.388 -1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.039 -3.660 -0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.113 -4.884 0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.256 -3.935 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.186 -5.610 -0.244 1.00 0.00 H new ATOM 931 N LYS A 59 -3.023 -2.768 -5.729 1.00 0.00 N ATOM 932 CA LYS A 59 -2.104 -2.791 -6.867 1.00 0.00 C ATOM 933 C LYS A 59 -0.655 -3.003 -6.430 1.00 0.00 C ATOM 934 O LYS A 59 0.092 -3.730 -7.083 1.00 0.00 O ATOM 935 CB LYS A 59 -2.218 -1.487 -7.662 1.00 0.00 C ATOM 936 CG LYS A 59 -1.291 -1.423 -8.868 1.00 0.00 C ATOM 937 CD LYS A 59 0.062 -0.822 -8.507 1.00 0.00 C ATOM 938 CE LYS A 59 1.207 -1.724 -8.939 1.00 0.00 C ATOM 939 NZ LYS A 59 1.834 -1.257 -10.205 1.00 0.00 N ATOM 0 H LYS A 59 -3.361 -1.839 -5.478 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.388 -3.634 -7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.247 -1.366 -7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.999 -0.648 -7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.148 -2.426 -9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.756 -0.827 -9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.166 0.153 -8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.113 -0.658 -7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.960 -1.757 -8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.838 -2.741 -9.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.504 -1.976 -10.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.096 -1.103 -10.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.341 -0.365 -10.033 1.00 0.00 H new ATOM 953 N LEU A 60 -0.253 -2.353 -5.342 1.00 0.00 N ATOM 954 CA LEU A 60 1.119 -2.472 -4.854 1.00 0.00 C ATOM 955 C LEU A 60 1.351 -3.793 -4.127 1.00 0.00 C ATOM 956 O LEU A 60 2.477 -4.275 -4.052 1.00 0.00 O ATOM 957 CB LEU A 60 1.464 -1.309 -3.926 1.00 0.00 C ATOM 958 CG LEU A 60 2.957 -0.986 -3.849 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.191 0.501 -4.031 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.546 -1.466 -2.532 1.00 0.00 C ATOM 0 H LEU A 60 -0.851 -1.743 -4.785 1.00 0.00 H new ATOM 0 HA LEU A 60 1.772 -2.445 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.929 -0.421 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.102 -1.539 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 60 3.462 -1.514 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.259 0.711 -3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.812 0.812 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.670 1.050 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.609 -1.226 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.037 -0.972 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.415 -2.545 -2.447 1.00 0.00 H new ATOM 972 N GLU A 61 0.285 -4.370 -3.592 1.00 0.00 N ATOM 973 CA GLU A 61 0.384 -5.633 -2.874 1.00 0.00 C ATOM 974 C GLU A 61 0.673 -6.779 -3.839 1.00 0.00 C ATOM 975 O GLU A 61 1.631 -7.531 -3.662 1.00 0.00 O ATOM 976 CB GLU A 61 -0.915 -5.899 -2.115 1.00 0.00 C ATOM 977 CG GLU A 61 -0.700 -6.405 -0.699 1.00 0.00 C ATOM 978 CD GLU A 61 -1.688 -7.487 -0.310 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.906 -7.257 -0.453 1.00 0.00 O ATOM 980 OE2 GLU A 61 -1.242 -8.564 0.139 1.00 0.00 O ATOM 0 H GLU A 61 -0.658 -3.984 -3.641 1.00 0.00 H new ATOM 0 HA GLU A 61 1.208 -5.568 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.499 -4.980 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.505 -6.630 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.314 -6.794 -0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.787 -5.571 -0.002 1.00 0.00 H new ATOM 987 N GLU A 62 -0.165 -6.898 -4.862 1.00 0.00 N ATOM 988 CA GLU A 62 -0.016 -7.942 -5.867 1.00 0.00 C ATOM 989 C GLU A 62 1.278 -7.761 -6.657 1.00 0.00 C ATOM 990 O GLU A 62 1.838 -8.725 -7.179 1.00 0.00 O ATOM 991 CB GLU A 62 -1.213 -7.919 -6.820 1.00 0.00 C ATOM 992 CG GLU A 62 -1.670 -9.301 -7.254 1.00 0.00 C ATOM 993 CD GLU A 62 -2.868 -9.257 -8.182 1.00 0.00 C ATOM 994 OE1 GLU A 62 -3.110 -8.191 -8.786 1.00 0.00 O ATOM 995 OE2 GLU A 62 -3.562 -10.287 -8.304 1.00 0.00 O ATOM 0 H GLU A 62 -0.961 -6.279 -5.017 1.00 0.00 H new ATOM 0 HA GLU A 62 0.026 -8.905 -5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.044 -7.406 -6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.952 -7.337 -7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.847 -9.811 -7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.921 -9.890 -6.372 1.00 0.00 H new ATOM 1002 N GLU A 63 1.742 -6.520 -6.743 1.00 0.00 N ATOM 1003 CA GLU A 63 2.966 -6.205 -7.472 1.00 0.00 C ATOM 1004 C GLU A 63 4.168 -6.924 -6.866 1.00 0.00 C ATOM 1005 O GLU A 63 4.841 -7.705 -7.539 1.00 0.00 O ATOM 1006 CB GLU A 63 3.200 -4.693 -7.473 1.00 0.00 C ATOM 1007 CG GLU A 63 3.455 -4.118 -8.856 1.00 0.00 C ATOM 1008 CD GLU A 63 4.865 -4.384 -9.348 1.00 0.00 C ATOM 1009 OE1 GLU A 63 5.224 -5.569 -9.505 1.00 0.00 O ATOM 1010 OE2 GLU A 63 5.608 -3.406 -9.576 1.00 0.00 O ATOM 0 H GLU A 63 1.288 -5.713 -6.316 1.00 0.00 H new ATOM 0 HA GLU A 63 2.849 -6.550 -8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.331 -4.199 -7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.051 -4.465 -6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.742 -4.546 -9.560 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.278 -3.043 -8.837 1.00 0.00 H new ATOM 1017 N ILE A 64 4.429 -6.656 -5.591 1.00 0.00 N ATOM 1018 CA ILE A 64 5.546 -7.274 -4.889 1.00 0.00 C ATOM 1019 C ILE A 64 5.459 -8.796 -4.944 1.00 0.00 C ATOM 1020 O ILE A 64 6.472 -9.489 -4.842 1.00 0.00 O ATOM 1021 CB ILE A 64 5.597 -6.830 -3.411 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.521 -5.303 -3.308 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.863 -7.351 -2.746 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.600 -4.788 -1.886 1.00 0.00 C ATOM 0 H ILE A 64 3.879 -6.012 -5.022 1.00 0.00 H new ATOM 0 HA ILE A 64 6.455 -6.945 -5.394 1.00 0.00 H new ATOM 0 HB ILE A 64 4.737 -7.251 -2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.333 -4.867 -3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.588 -4.963 -3.758 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.885 -7.030 -1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.876 -8.440 -2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.736 -6.956 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.540 -3.700 -1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.772 -5.195 -1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.544 -5.098 -1.439 1.00 0.00 H new ATOM 1036 N LYS A 65 4.243 -9.311 -5.104 1.00 0.00 N ATOM 1037 CA LYS A 65 4.026 -10.752 -5.170 1.00 0.00 C ATOM 1038 C LYS A 65 4.757 -11.359 -6.364 1.00 0.00 C ATOM 1039 O LYS A 65 5.242 -12.488 -6.297 1.00 0.00 O ATOM 1040 CB LYS A 65 2.529 -11.059 -5.258 1.00 0.00 C ATOM 1041 CG LYS A 65 1.965 -11.693 -3.996 1.00 0.00 C ATOM 1042 CD LYS A 65 1.017 -10.751 -3.271 1.00 0.00 C ATOM 1043 CE LYS A 65 1.196 -10.828 -1.762 1.00 0.00 C ATOM 1044 NZ LYS A 65 -0.106 -10.971 -1.054 1.00 0.00 N ATOM 0 H LYS A 65 3.394 -8.752 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 65 4.427 -11.198 -4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.988 -10.135 -5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.352 -11.727 -6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.439 -12.612 -4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.783 -11.970 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.191 -9.729 -3.607 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.012 -11.000 -3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.838 -11.674 -1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.703 -9.930 -1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.022 -11.563 -0.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.452 -10.032 -0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.799 -11.418 -1.688 1.00 0.00 H new ATOM 1058 N LYS A 66 4.832 -10.603 -7.454 1.00 0.00 N ATOM 1059 CA LYS A 66 5.505 -11.068 -8.661 1.00 0.00 C ATOM 1060 C LYS A 66 7.015 -11.110 -8.455 1.00 0.00 C ATOM 1061 O LYS A 66 7.644 -12.156 -8.607 1.00 0.00 O ATOM 1062 CB LYS A 66 5.164 -10.161 -9.843 1.00 0.00 C ATOM 1063 CG LYS A 66 3.671 -9.949 -10.038 1.00 0.00 C ATOM 1064 CD LYS A 66 3.387 -8.709 -10.869 1.00 0.00 C ATOM 1065 CE LYS A 66 3.806 -8.901 -12.317 1.00 0.00 C ATOM 1066 NZ LYS A 66 3.203 -7.875 -13.211 1.00 0.00 N ATOM 0 H LYS A 66 4.435 -9.666 -7.526 1.00 0.00 H new ATOM 0 HA LYS A 66 5.156 -12.078 -8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.644 -9.193 -9.698 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.583 -10.591 -10.753 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.240 -10.822 -10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.186 -9.856 -9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.323 -8.476 -10.825 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.918 -7.856 -10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.892 -8.852 -12.390 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.508 -9.895 -12.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.514 -8.041 -14.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.166 -7.938 -13.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.507 -6.928 -12.907 1.00 0.00 H new