USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 635 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 Set 1.1: A 58 MET CE :methyl -118:sc= -2.72 (180deg=-3.55!) USER MOD Set 1.2: A 70 MET CE :methyl 174:sc= -1.15 (180deg=-0.723) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= 0.0422 (180deg=-0.332) USER MOD Single : A 20 THR OG1 : rot -17:sc= 0.308 USER MOD Single : A 33 LYS NZ :NH3+ -140:sc= 1.16 (180deg=0.175) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0.0271 (180deg=0.0241) USER MOD Single : A 48 LYS NZ :NH3+ -127:sc= 0.119 (180deg=-1.32) USER MOD Single : A 49 ASN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 50 MET CE :methyl -145:sc= -0.185 (180deg=-1.49) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.3 K(o=-1.3,f=0.069) USER MOD Single : A 61 MET CE :methyl -159:sc= -2.97 (180deg=-5.41!) USER MOD Single : A 62 TYR OH : rot 99:sc= 0.249 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 72 GLN : amide:sc= -0.106 K(o=-0.11,f=-3.5!) USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= 1.25 (180deg=0.57) USER MOD Single : A 82 LYS NZ :NH3+ 164:sc= 1.1 (180deg=0.674) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 7 0.265 -13.108 8.859 1.00 61.11 N ATOM 114 CA LYS A 7 1.409 -12.169 8.745 1.00 12.11 C ATOM 115 C LYS A 7 1.517 -11.555 7.326 1.00 33.24 C ATOM 116 O LYS A 7 2.046 -10.454 7.167 1.00 23.33 O ATOM 117 CB LYS A 7 2.725 -12.862 9.150 1.00 1.13 C ATOM 118 CG LYS A 7 2.781 -13.246 10.645 1.00 23.11 C ATOM 119 CD LYS A 7 4.112 -13.910 11.043 1.00 71.14 C ATOM 120 CE LYS A 7 4.148 -14.295 12.527 1.00 61.43 C ATOM 121 NZ LYS A 7 5.418 -14.977 12.887 1.00 53.14 N ATOM 0 HA LYS A 7 1.226 -11.346 9.436 1.00 12.11 H new ATOM 0 HB2 LYS A 7 2.855 -13.760 8.547 1.00 1.13 H new ATOM 0 HB3 LYS A 7 3.561 -12.201 8.921 1.00 1.13 H new ATOM 0 HG2 LYS A 7 2.631 -12.352 11.250 1.00 23.11 H new ATOM 0 HG3 LYS A 7 1.960 -13.926 10.871 1.00 23.11 H new ATOM 0 HD2 LYS A 7 4.267 -14.801 10.435 1.00 71.14 H new ATOM 0 HD3 LYS A 7 4.935 -13.229 10.826 1.00 71.14 H new ATOM 0 HE2 LYS A 7 4.030 -13.400 13.138 1.00 61.43 H new ATOM 0 HE3 LYS A 7 3.306 -14.950 12.754 1.00 61.43 H new ATOM 0 HZ1 LYS A 7 5.406 -15.222 13.898 1.00 53.14 H new ATOM 0 HZ2 LYS A 7 5.519 -15.844 12.322 1.00 53.14 H new ATOM 0 HZ3 LYS A 7 6.219 -14.343 12.694 1.00 53.14 H new ATOM 135 N LEU A 8 1.046 -12.301 6.304 1.00 2.11 N ATOM 136 CA LEU A 8 1.005 -11.835 4.899 1.00 12.14 C ATOM 137 C LEU A 8 0.036 -10.623 4.776 1.00 60.01 C ATOM 138 O LEU A 8 0.408 -9.576 4.232 1.00 51.31 O ATOM 139 CB LEU A 8 0.589 -13.031 3.963 1.00 2.05 C ATOM 140 CG LEU A 8 0.807 -12.891 2.401 1.00 50.24 C ATOM 141 CD1 LEU A 8 -0.236 -11.972 1.717 1.00 42.50 C ATOM 142 CD2 LEU A 8 2.251 -12.437 2.080 1.00 65.50 C ATOM 0 H LEU A 8 0.682 -13.246 6.429 1.00 2.11 H new ATOM 0 HA LEU A 8 1.991 -11.496 4.583 1.00 12.14 H new ATOM 0 HB2 LEU A 8 1.135 -13.914 4.294 1.00 2.05 H new ATOM 0 HB3 LEU A 8 -0.470 -13.229 4.132 1.00 2.05 H new ATOM 0 HG LEU A 8 0.655 -13.885 1.981 1.00 50.24 H new ATOM 0 HD11 LEU A 8 -0.029 -11.920 0.648 1.00 42.50 H new ATOM 0 HD12 LEU A 8 -1.236 -12.377 1.874 1.00 42.50 H new ATOM 0 HD13 LEU A 8 -0.178 -10.972 2.147 1.00 42.50 H new ATOM 0 HD21 LEU A 8 2.373 -12.349 1.000 1.00 65.50 H new ATOM 0 HD22 LEU A 8 2.441 -11.470 2.547 1.00 65.50 H new ATOM 0 HD23 LEU A 8 2.958 -13.171 2.466 1.00 65.50 H new ATOM 154 N LEU A 9 -1.200 -10.769 5.306 1.00 33.42 N ATOM 155 CA LEU A 9 -2.193 -9.665 5.327 1.00 43.43 C ATOM 156 C LEU A 9 -1.836 -8.585 6.396 1.00 25.45 C ATOM 157 O LEU A 9 -2.188 -7.413 6.241 1.00 4.23 O ATOM 158 CB LEU A 9 -3.646 -10.224 5.471 1.00 10.04 C ATOM 159 CG LEU A 9 -3.989 -11.071 6.751 1.00 61.43 C ATOM 160 CD1 LEU A 9 -4.303 -10.195 7.986 1.00 15.11 C ATOM 161 CD2 LEU A 9 -5.144 -12.059 6.478 1.00 1.23 C ATOM 0 H LEU A 9 -1.535 -11.637 5.724 1.00 33.42 H new ATOM 0 HA LEU A 9 -2.153 -9.150 4.367 1.00 43.43 H new ATOM 0 HB2 LEU A 9 -4.334 -9.379 5.436 1.00 10.04 H new ATOM 0 HB3 LEU A 9 -3.854 -10.841 4.597 1.00 10.04 H new ATOM 0 HG LEU A 9 -3.090 -11.641 6.986 1.00 61.43 H new ATOM 0 HD11 LEU A 9 -4.532 -10.836 8.838 1.00 15.11 H new ATOM 0 HD12 LEU A 9 -3.438 -9.574 8.221 1.00 15.11 H new ATOM 0 HD13 LEU A 9 -5.160 -9.557 7.771 1.00 15.11 H new ATOM 0 HD21 LEU A 9 -5.357 -12.629 7.382 1.00 1.23 H new ATOM 0 HD22 LEU A 9 -6.034 -11.505 6.181 1.00 1.23 H new ATOM 0 HD23 LEU A 9 -4.858 -12.741 5.678 1.00 1.23 H new ATOM 173 N GLU A 10 -1.131 -9.000 7.476 1.00 22.12 N ATOM 174 CA GLU A 10 -0.591 -8.071 8.511 1.00 71.44 C ATOM 175 C GLU A 10 0.523 -7.183 7.918 1.00 55.40 C ATOM 176 O GLU A 10 0.744 -6.057 8.375 1.00 3.40 O ATOM 177 CB GLU A 10 -0.039 -8.870 9.727 1.00 52.23 C ATOM 178 CG GLU A 10 0.441 -8.032 10.937 1.00 30.45 C ATOM 179 CD GLU A 10 -0.687 -7.214 11.594 1.00 71.43 C ATOM 180 OE1 GLU A 10 -1.567 -7.816 12.242 1.00 74.41 O ATOM 181 OE2 GLU A 10 -0.708 -5.972 11.458 1.00 23.42 O ATOM 0 H GLU A 10 -0.919 -9.981 7.658 1.00 22.12 H new ATOM 0 HA GLU A 10 -1.406 -7.431 8.849 1.00 71.44 H new ATOM 0 HB2 GLU A 10 -0.817 -9.552 10.070 1.00 52.23 H new ATOM 0 HB3 GLU A 10 0.794 -9.484 9.384 1.00 52.23 H new ATOM 0 HG2 GLU A 10 0.879 -8.698 11.681 1.00 30.45 H new ATOM 0 HG3 GLU A 10 1.230 -7.354 10.611 1.00 30.45 H new ATOM 188 N LYS A 11 1.232 -7.714 6.899 1.00 23.23 N ATOM 189 CA LYS A 11 2.267 -6.961 6.177 1.00 41.41 C ATOM 190 C LYS A 11 1.652 -5.781 5.395 1.00 52.15 C ATOM 191 O LYS A 11 2.309 -4.764 5.237 1.00 2.23 O ATOM 192 CB LYS A 11 3.097 -7.882 5.248 1.00 54.23 C ATOM 193 CG LYS A 11 4.303 -7.179 4.569 1.00 25.41 C ATOM 194 CD LYS A 11 5.169 -8.134 3.721 1.00 75.51 C ATOM 195 CE LYS A 11 5.818 -9.252 4.551 1.00 15.15 C ATOM 196 NZ LYS A 11 6.762 -10.054 3.737 1.00 53.51 N ATOM 0 H LYS A 11 1.101 -8.667 6.560 1.00 23.23 H new ATOM 0 HA LYS A 11 2.951 -6.548 6.919 1.00 41.41 H new ATOM 0 HB2 LYS A 11 3.464 -8.729 5.828 1.00 54.23 H new ATOM 0 HB3 LYS A 11 2.443 -8.284 4.475 1.00 54.23 H new ATOM 0 HG2 LYS A 11 3.934 -6.374 3.934 1.00 25.41 H new ATOM 0 HG3 LYS A 11 4.926 -6.720 5.337 1.00 25.41 H new ATOM 0 HD2 LYS A 11 4.552 -8.580 2.941 1.00 75.51 H new ATOM 0 HD3 LYS A 11 5.949 -7.560 3.221 1.00 75.51 H new ATOM 0 HE2 LYS A 11 6.346 -8.817 5.399 1.00 15.15 H new ATOM 0 HE3 LYS A 11 5.043 -9.902 4.957 1.00 15.15 H new ATOM 0 HZ1 LYS A 11 7.183 -10.800 4.327 1.00 53.51 H new ATOM 0 HZ2 LYS A 11 6.252 -10.488 2.941 1.00 53.51 H new ATOM 0 HZ3 LYS A 11 7.515 -9.437 3.370 1.00 53.51 H new ATOM 210 N LEU A 12 0.383 -5.910 4.925 1.00 5.21 N ATOM 211 CA LEU A 12 -0.368 -4.736 4.397 1.00 14.14 C ATOM 212 C LEU A 12 -0.460 -3.634 5.484 1.00 71.45 C ATOM 213 O LEU A 12 -0.095 -2.502 5.237 1.00 65.30 O ATOM 214 CB LEU A 12 -1.803 -5.092 3.885 1.00 2.33 C ATOM 215 CG LEU A 12 -1.926 -5.806 2.492 1.00 64.40 C ATOM 216 CD1 LEU A 12 -1.136 -5.065 1.387 1.00 70.11 C ATOM 217 CD2 LEU A 12 -1.539 -7.294 2.571 1.00 34.10 C ATOM 0 H LEU A 12 -0.132 -6.790 4.900 1.00 5.21 H new ATOM 0 HA LEU A 12 0.192 -4.375 3.534 1.00 14.14 H new ATOM 0 HB2 LEU A 12 -2.276 -5.730 4.631 1.00 2.33 H new ATOM 0 HB3 LEU A 12 -2.382 -4.169 3.841 1.00 2.33 H new ATOM 0 HG LEU A 12 -2.978 -5.765 2.211 1.00 64.40 H new ATOM 0 HD11 LEU A 12 -1.250 -5.595 0.441 1.00 70.11 H new ATOM 0 HD12 LEU A 12 -1.520 -4.050 1.283 1.00 70.11 H new ATOM 0 HD13 LEU A 12 -0.081 -5.028 1.657 1.00 70.11 H new ATOM 0 HD21 LEU A 12 -1.639 -7.749 1.585 1.00 34.10 H new ATOM 0 HD22 LEU A 12 -0.507 -7.384 2.910 1.00 34.10 H new ATOM 0 HD23 LEU A 12 -2.197 -7.804 3.274 1.00 34.10 H new ATOM 229 N GLU A 13 -0.889 -4.006 6.701 1.00 71.43 N ATOM 230 CA GLU A 13 -0.968 -3.068 7.854 1.00 53.40 C ATOM 231 C GLU A 13 0.405 -2.459 8.233 1.00 43.41 C ATOM 232 O GLU A 13 0.469 -1.324 8.715 1.00 34.44 O ATOM 233 CB GLU A 13 -1.630 -3.776 9.074 1.00 64.53 C ATOM 234 CG GLU A 13 -3.164 -3.919 8.968 1.00 63.30 C ATOM 235 CD GLU A 13 -3.883 -2.554 9.027 1.00 42.22 C ATOM 236 OE1 GLU A 13 -3.905 -1.841 8.008 1.00 34.00 O ATOM 237 OE2 GLU A 13 -4.400 -2.176 10.107 1.00 11.31 O ATOM 0 H GLU A 13 -1.191 -4.955 6.922 1.00 71.43 H new ATOM 0 HA GLU A 13 -1.592 -2.229 7.547 1.00 53.40 H new ATOM 0 HB2 GLU A 13 -1.191 -4.767 9.187 1.00 64.53 H new ATOM 0 HB3 GLU A 13 -1.390 -3.217 9.978 1.00 64.53 H new ATOM 0 HG2 GLU A 13 -3.417 -4.421 8.034 1.00 63.30 H new ATOM 0 HG3 GLU A 13 -3.525 -4.553 9.778 1.00 63.30 H new ATOM 244 N LYS A 14 1.488 -3.222 8.011 1.00 34.43 N ATOM 245 CA LYS A 14 2.871 -2.760 8.269 1.00 30.13 C ATOM 246 C LYS A 14 3.279 -1.676 7.215 1.00 61.31 C ATOM 247 O LYS A 14 3.740 -0.588 7.579 1.00 61.33 O ATOM 248 CB LYS A 14 3.844 -3.996 8.251 1.00 13.22 C ATOM 249 CG LYS A 14 5.059 -3.926 9.217 1.00 65.23 C ATOM 250 CD LYS A 14 6.019 -2.749 8.931 1.00 41.05 C ATOM 251 CE LYS A 14 7.234 -2.720 9.871 1.00 21.53 C ATOM 252 NZ LYS A 14 8.118 -1.556 9.590 1.00 22.23 N ATOM 0 H LYS A 14 1.435 -4.174 7.649 1.00 34.43 H new ATOM 0 HA LYS A 14 2.934 -2.295 9.253 1.00 30.13 H new ATOM 0 HB2 LYS A 14 3.267 -4.890 8.490 1.00 13.22 H new ATOM 0 HB3 LYS A 14 4.220 -4.121 7.236 1.00 13.22 H new ATOM 0 HG2 LYS A 14 4.693 -3.843 10.240 1.00 65.23 H new ATOM 0 HG3 LYS A 14 5.616 -4.861 9.153 1.00 65.23 H new ATOM 0 HD2 LYS A 14 6.366 -2.814 7.900 1.00 41.05 H new ATOM 0 HD3 LYS A 14 5.472 -1.811 9.025 1.00 41.05 H new ATOM 0 HE2 LYS A 14 6.893 -2.677 10.905 1.00 21.53 H new ATOM 0 HE3 LYS A 14 7.802 -3.644 9.761 1.00 21.53 H new ATOM 0 HZ1 LYS A 14 9.086 -1.771 9.905 1.00 22.23 H new ATOM 0 HZ2 LYS A 14 8.122 -1.362 8.568 1.00 22.23 H new ATOM 0 HZ3 LYS A 14 7.765 -0.721 10.100 1.00 22.23 H new ATOM 266 N ILE A 15 3.063 -1.990 5.917 1.00 41.00 N ATOM 267 CA ILE A 15 3.404 -1.093 4.786 1.00 43.23 C ATOM 268 C ILE A 15 2.527 0.182 4.817 1.00 43.22 C ATOM 269 O ILE A 15 3.053 1.278 4.927 1.00 23.42 O ATOM 270 CB ILE A 15 3.217 -1.821 3.394 1.00 62.42 C ATOM 271 CG1 ILE A 15 4.059 -3.137 3.315 1.00 10.21 C ATOM 272 CG2 ILE A 15 3.577 -0.879 2.209 1.00 14.01 C ATOM 273 CD1 ILE A 15 3.682 -4.060 2.164 1.00 54.04 C ATOM 0 H ILE A 15 2.647 -2.874 5.623 1.00 41.00 H new ATOM 0 HA ILE A 15 4.452 -0.817 4.898 1.00 43.23 H new ATOM 0 HB ILE A 15 2.163 -2.087 3.313 1.00 62.42 H new ATOM 0 HG12 ILE A 15 5.113 -2.874 3.223 1.00 10.21 H new ATOM 0 HG13 ILE A 15 3.947 -3.682 4.252 1.00 10.21 H new ATOM 0 HG21 ILE A 15 3.438 -1.410 1.267 1.00 14.01 H new ATOM 0 HG22 ILE A 15 2.929 -0.003 2.231 1.00 14.01 H new ATOM 0 HG23 ILE A 15 4.617 -0.564 2.298 1.00 14.01 H new ATOM 0 HD11 ILE A 15 4.316 -4.947 2.186 1.00 54.04 H new ATOM 0 HD12 ILE A 15 2.638 -4.358 2.263 1.00 54.04 H new ATOM 0 HD13 ILE A 15 3.822 -3.537 1.218 1.00 54.04 H new ATOM 285 N LEU A 16 1.183 -0.016 4.781 1.00 33.24 N ATOM 286 CA LEU A 16 0.149 1.068 4.747 1.00 40.51 C ATOM 287 C LEU A 16 0.331 2.116 5.874 1.00 13.24 C ATOM 288 O LEU A 16 0.081 3.310 5.666 1.00 54.03 O ATOM 289 CB LEU A 16 -1.293 0.448 4.806 1.00 20.31 C ATOM 290 CG LEU A 16 -1.920 -0.060 3.454 1.00 73.12 C ATOM 291 CD1 LEU A 16 -0.994 -1.028 2.678 1.00 3.35 C ATOM 292 CD2 LEU A 16 -3.302 -0.716 3.705 1.00 2.13 C ATOM 0 H LEU A 16 0.773 -0.950 4.774 1.00 33.24 H new ATOM 0 HA LEU A 16 0.281 1.597 3.803 1.00 40.51 H new ATOM 0 HB2 LEU A 16 -1.271 -0.390 5.503 1.00 20.31 H new ATOM 0 HB3 LEU A 16 -1.964 1.196 5.228 1.00 20.31 H new ATOM 0 HG LEU A 16 -2.047 0.820 2.824 1.00 73.12 H new ATOM 0 HD11 LEU A 16 -1.485 -1.341 1.756 1.00 3.35 H new ATOM 0 HD12 LEU A 16 -0.059 -0.522 2.437 1.00 3.35 H new ATOM 0 HD13 LEU A 16 -0.785 -1.903 3.293 1.00 3.35 H new ATOM 0 HD21 LEU A 16 -3.719 -1.060 2.758 1.00 2.13 H new ATOM 0 HD22 LEU A 16 -3.185 -1.564 4.380 1.00 2.13 H new ATOM 0 HD23 LEU A 16 -3.975 0.014 4.153 1.00 2.13 H new ATOM 304 N ASP A 17 0.759 1.651 7.060 1.00 41.23 N ATOM 305 CA ASP A 17 1.080 2.532 8.206 1.00 23.04 C ATOM 306 C ASP A 17 2.258 3.481 7.869 1.00 3.23 C ATOM 307 O ASP A 17 2.203 4.680 8.152 1.00 33.51 O ATOM 308 CB ASP A 17 1.403 1.665 9.443 1.00 25.44 C ATOM 309 CG ASP A 17 1.726 2.481 10.705 1.00 25.31 C ATOM 310 OD1 ASP A 17 0.786 2.972 11.362 1.00 21.12 O ATOM 311 OD2 ASP A 17 2.923 2.675 11.018 1.00 43.21 O ATOM 0 H ASP A 17 0.893 0.659 7.255 1.00 41.23 H new ATOM 0 HA ASP A 17 0.215 3.158 8.425 1.00 23.04 H new ATOM 0 HB2 ASP A 17 0.554 1.014 9.650 1.00 25.44 H new ATOM 0 HB3 ASP A 17 2.251 1.020 9.212 1.00 25.44 H new ATOM 316 N GLU A 18 3.312 2.914 7.256 1.00 21.52 N ATOM 317 CA GLU A 18 4.525 3.657 6.840 1.00 52.23 C ATOM 318 C GLU A 18 4.310 4.461 5.535 1.00 64.44 C ATOM 319 O GLU A 18 5.080 5.383 5.244 1.00 4.32 O ATOM 320 CB GLU A 18 5.715 2.689 6.701 1.00 53.23 C ATOM 321 CG GLU A 18 6.090 1.988 8.021 1.00 62.13 C ATOM 322 CD GLU A 18 7.248 0.999 7.876 1.00 41.52 C ATOM 323 OE1 GLU A 18 7.088 -0.004 7.157 1.00 1.13 O ATOM 324 OE2 GLU A 18 8.310 1.196 8.508 1.00 71.41 O ATOM 0 H GLU A 18 3.351 1.920 7.032 1.00 21.52 H new ATOM 0 HA GLU A 18 4.746 4.386 7.620 1.00 52.23 H new ATOM 0 HB2 GLU A 18 5.474 1.934 5.953 1.00 53.23 H new ATOM 0 HB3 GLU A 18 6.580 3.239 6.332 1.00 53.23 H new ATOM 0 HG2 GLU A 18 6.357 2.742 8.761 1.00 62.13 H new ATOM 0 HG3 GLU A 18 5.217 1.460 8.404 1.00 62.13 H new ATOM 331 N VAL A 19 3.290 4.079 4.737 1.00 31.31 N ATOM 332 CA VAL A 19 2.882 4.847 3.542 1.00 42.31 C ATOM 333 C VAL A 19 2.298 6.209 3.968 1.00 24.54 C ATOM 334 O VAL A 19 2.708 7.245 3.465 1.00 23.34 O ATOM 335 CB VAL A 19 1.846 4.064 2.640 1.00 1.11 C ATOM 336 CG1 VAL A 19 1.413 4.900 1.419 1.00 14.00 C ATOM 337 CG2 VAL A 19 2.412 2.707 2.172 1.00 22.23 C ATOM 0 H VAL A 19 2.733 3.240 4.900 1.00 31.31 H new ATOM 0 HA VAL A 19 3.775 5.002 2.936 1.00 42.31 H new ATOM 0 HB VAL A 19 0.970 3.877 3.261 1.00 1.11 H new ATOM 0 HG11 VAL A 19 0.701 4.330 0.822 1.00 14.00 H new ATOM 0 HG12 VAL A 19 0.945 5.824 1.758 1.00 14.00 H new ATOM 0 HG13 VAL A 19 2.287 5.138 0.812 1.00 14.00 H new ATOM 0 HG21 VAL A 19 1.672 2.198 1.555 1.00 22.23 H new ATOM 0 HG22 VAL A 19 3.319 2.872 1.590 1.00 22.23 H new ATOM 0 HG23 VAL A 19 2.646 2.091 3.041 1.00 22.23 H new ATOM 347 N THR A 20 1.356 6.180 4.930 1.00 55.42 N ATOM 348 CA THR A 20 0.744 7.406 5.503 1.00 34.30 C ATOM 349 C THR A 20 1.738 8.175 6.408 1.00 12.33 C ATOM 350 O THR A 20 1.651 9.401 6.534 1.00 4.14 O ATOM 351 CB THR A 20 -0.535 7.069 6.331 1.00 51.42 C ATOM 352 OG1 THR A 20 -0.199 6.259 7.462 1.00 51.50 O ATOM 353 CG2 THR A 20 -1.583 6.331 5.479 1.00 21.43 C ATOM 0 H THR A 20 0.996 5.315 5.333 1.00 55.42 H new ATOM 0 HA THR A 20 0.472 8.038 4.657 1.00 34.30 H new ATOM 0 HB THR A 20 -0.961 8.015 6.666 1.00 51.42 H new ATOM 0 HG1 THR A 20 0.691 5.871 7.333 1.00 51.50 H new ATOM 0 HG21 THR A 20 -2.460 6.113 6.089 1.00 21.43 H new ATOM 0 HG22 THR A 20 -1.874 6.958 4.636 1.00 21.43 H new ATOM 0 HG23 THR A 20 -1.158 5.398 5.107 1.00 21.43 H new ATOM 361 N ASP A 21 2.670 7.430 7.044 1.00 14.13 N ATOM 362 CA ASP A 21 3.758 8.008 7.868 1.00 11.43 C ATOM 363 C ASP A 21 4.742 8.832 6.998 1.00 55.24 C ATOM 364 O ASP A 21 5.223 9.890 7.421 1.00 71.14 O ATOM 365 CB ASP A 21 4.492 6.876 8.636 1.00 2.31 C ATOM 366 CG ASP A 21 5.643 7.366 9.522 1.00 61.11 C ATOM 367 OD1 ASP A 21 5.369 7.963 10.582 1.00 45.34 O ATOM 368 OD2 ASP A 21 6.822 7.182 9.151 1.00 61.15 O ATOM 0 H ASP A 21 2.690 6.411 7.001 1.00 14.13 H new ATOM 0 HA ASP A 21 3.322 8.694 8.594 1.00 11.43 H new ATOM 0 HB2 ASP A 21 3.770 6.345 9.257 1.00 2.31 H new ATOM 0 HB3 ASP A 21 4.883 6.157 7.916 1.00 2.31 H new ATOM 373 N GLY A 22 5.040 8.321 5.800 1.00 33.13 N ATOM 374 CA GLY A 22 5.797 9.067 4.793 1.00 65.44 C ATOM 375 C GLY A 22 4.864 9.865 3.883 1.00 60.32 C ATOM 376 O GLY A 22 4.329 10.898 4.307 1.00 44.04 O ATOM 0 H GLY A 22 4.765 7.385 5.503 1.00 33.13 H new ATOM 0 HA2 GLY A 22 6.495 9.743 5.286 1.00 65.44 H new ATOM 0 HA3 GLY A 22 6.391 8.376 4.194 1.00 65.44 H new ATOM 380 N ALA A 23 4.634 9.342 2.654 1.00 74.00 N ATOM 381 CA ALA A 23 3.766 9.959 1.605 1.00 32.42 C ATOM 382 C ALA A 23 4.209 11.387 1.131 1.00 62.52 C ATOM 383 O ALA A 23 4.928 12.097 1.835 1.00 24.13 O ATOM 384 CB ALA A 23 2.304 9.993 2.081 1.00 41.00 C ATOM 0 H ALA A 23 5.052 8.462 2.352 1.00 74.00 H new ATOM 0 HA ALA A 23 3.874 9.318 0.730 1.00 32.42 H new ATOM 0 HB1 ALA A 23 1.680 10.444 1.309 1.00 41.00 H new ATOM 0 HB2 ALA A 23 1.961 8.977 2.276 1.00 41.00 H new ATOM 0 HB3 ALA A 23 2.233 10.582 2.995 1.00 41.00 H new ATOM 390 N PRO A 24 3.798 11.822 -0.109 1.00 10.42 N ATOM 391 CA PRO A 24 3.832 13.257 -0.510 1.00 10.21 C ATOM 392 C PRO A 24 2.779 14.099 0.258 1.00 64.23 C ATOM 393 O PRO A 24 1.802 13.544 0.770 1.00 50.54 O ATOM 394 CB PRO A 24 3.510 13.218 -2.036 1.00 73.24 C ATOM 395 CG PRO A 24 3.747 11.793 -2.437 1.00 33.22 C ATOM 396 CD PRO A 24 3.359 10.966 -1.237 1.00 24.41 C ATOM 0 HA PRO A 24 4.789 13.727 -0.284 1.00 10.21 H new ATOM 0 HB2 PRO A 24 2.481 13.519 -2.232 1.00 73.24 H new ATOM 0 HB3 PRO A 24 4.153 13.899 -2.594 1.00 73.24 H new ATOM 0 HG2 PRO A 24 3.148 11.526 -3.308 1.00 33.22 H new ATOM 0 HG3 PRO A 24 4.791 11.629 -2.705 1.00 33.22 H new ATOM 0 HD2 PRO A 24 2.287 10.771 -1.207 1.00 24.41 H new ATOM 0 HD3 PRO A 24 3.859 9.998 -1.231 1.00 24.41 H new ATOM 404 N ASP A 25 2.969 15.434 0.308 1.00 71.04 N ATOM 405 CA ASP A 25 2.043 16.366 1.019 1.00 11.13 C ATOM 406 C ASP A 25 0.591 16.291 0.460 1.00 51.54 C ATOM 407 O ASP A 25 -0.381 16.183 1.221 1.00 1.04 O ATOM 408 CB ASP A 25 2.569 17.819 0.910 1.00 30.34 C ATOM 409 CG ASP A 25 3.989 17.979 1.466 1.00 20.35 C ATOM 410 OD1 ASP A 25 4.147 18.164 2.690 1.00 11.24 O ATOM 411 OD2 ASP A 25 4.959 17.886 0.686 1.00 4.20 O ATOM 0 H ASP A 25 3.759 15.902 -0.136 1.00 71.04 H new ATOM 0 HA ASP A 25 2.012 16.059 2.064 1.00 11.13 H new ATOM 0 HB2 ASP A 25 2.556 18.128 -0.135 1.00 30.34 H new ATOM 0 HB3 ASP A 25 1.895 18.486 1.448 1.00 30.34 H new ATOM 416 N GLU A 26 0.482 16.332 -0.876 1.00 41.44 N ATOM 417 CA GLU A 26 -0.808 16.289 -1.598 1.00 33.43 C ATOM 418 C GLU A 26 -1.432 14.881 -1.582 1.00 42.13 C ATOM 419 O GLU A 26 -2.598 14.707 -1.206 1.00 1.35 O ATOM 420 CB GLU A 26 -0.596 16.757 -3.067 1.00 62.55 C ATOM 421 CG GLU A 26 -0.157 18.227 -3.214 1.00 71.40 C ATOM 422 CD GLU A 26 -1.276 19.229 -2.859 1.00 1.31 C ATOM 423 OE1 GLU A 26 -1.487 19.523 -1.664 1.00 60.43 O ATOM 424 OE2 GLU A 26 -1.966 19.714 -3.780 1.00 61.21 O ATOM 0 H GLU A 26 1.290 16.396 -1.495 1.00 41.44 H new ATOM 0 HA GLU A 26 -1.500 16.959 -1.087 1.00 33.43 H new ATOM 0 HB2 GLU A 26 0.155 16.119 -3.533 1.00 62.55 H new ATOM 0 HB3 GLU A 26 -1.525 16.612 -3.619 1.00 62.55 H new ATOM 0 HG2 GLU A 26 0.704 18.409 -2.571 1.00 71.40 H new ATOM 0 HG3 GLU A 26 0.168 18.402 -4.239 1.00 71.40 H new ATOM 431 N ALA A 27 -0.624 13.887 -1.971 1.00 33.50 N ATOM 432 CA ALA A 27 -1.092 12.510 -2.223 1.00 34.43 C ATOM 433 C ALA A 27 -1.461 11.734 -0.935 1.00 53.12 C ATOM 434 O ALA A 27 -2.215 10.759 -1.009 1.00 40.12 O ATOM 435 CB ALA A 27 -0.028 11.765 -3.036 1.00 65.30 C ATOM 0 H ALA A 27 0.377 14.011 -2.122 1.00 33.50 H new ATOM 0 HA ALA A 27 -2.021 12.575 -2.790 1.00 34.43 H new ATOM 0 HB1 ALA A 27 -0.364 10.746 -3.228 1.00 65.30 H new ATOM 0 HB2 ALA A 27 0.132 12.279 -3.984 1.00 65.30 H new ATOM 0 HB3 ALA A 27 0.906 11.739 -2.475 1.00 65.30 H new ATOM 441 N ARG A 28 -0.947 12.185 0.238 1.00 65.33 N ATOM 442 CA ARG A 28 -1.205 11.509 1.538 1.00 33.15 C ATOM 443 C ARG A 28 -2.707 11.442 1.882 1.00 11.14 C ATOM 444 O ARG A 28 -3.191 10.408 2.332 1.00 70.35 O ATOM 445 CB ARG A 28 -0.462 12.194 2.717 1.00 35.43 C ATOM 446 CG ARG A 28 -0.650 11.458 4.071 1.00 63.22 C ATOM 447 CD ARG A 28 -0.057 12.202 5.269 1.00 41.10 C ATOM 448 NE ARG A 28 -0.447 11.561 6.536 1.00 41.22 N ATOM 449 CZ ARG A 28 -0.405 12.126 7.720 1.00 65.42 C ATOM 450 NH1 ARG A 28 0.008 13.347 7.869 1.00 1.45 N ATOM 451 NH2 ARG A 28 -0.772 11.462 8.759 1.00 11.45 N ATOM 0 H ARG A 28 -0.353 13.011 0.311 1.00 65.33 H new ATOM 0 HA ARG A 28 -0.822 10.497 1.409 1.00 33.15 H new ATOM 0 HB2 ARG A 28 0.602 12.248 2.485 1.00 35.43 H new ATOM 0 HB3 ARG A 28 -0.819 13.219 2.816 1.00 35.43 H new ATOM 0 HG2 ARG A 28 -1.715 11.302 4.244 1.00 63.22 H new ATOM 0 HG3 ARG A 28 -0.190 10.472 4.004 1.00 63.22 H new ATOM 0 HD2 ARG A 28 1.030 12.222 5.187 1.00 41.10 H new ATOM 0 HD3 ARG A 28 -0.396 13.238 5.262 1.00 41.10 H new ATOM 0 HE ARG A 28 -0.777 10.597 6.490 1.00 41.22 H new ATOM 0 HH11 ARG A 28 0.308 13.887 7.057 1.00 1.45 H new ATOM 0 HH12 ARG A 28 0.033 13.767 8.798 1.00 1.45 H new ATOM 0 HH21 ARG A 28 -1.094 10.499 8.661 1.00 11.45 H new ATOM 0 HH22 ARG A 28 -0.740 11.898 9.680 1.00 11.45 H new ATOM 465 N GLU A 29 -3.431 12.563 1.660 1.00 74.50 N ATOM 466 CA GLU A 29 -4.859 12.679 2.033 1.00 34.23 C ATOM 467 C GLU A 29 -5.723 11.615 1.314 1.00 23.10 C ATOM 468 O GLU A 29 -6.719 11.156 1.858 1.00 14.41 O ATOM 469 CB GLU A 29 -5.375 14.134 1.787 1.00 73.12 C ATOM 470 CG GLU A 29 -5.566 14.574 0.308 1.00 22.42 C ATOM 471 CD GLU A 29 -6.979 14.288 -0.252 1.00 32.25 C ATOM 472 OE1 GLU A 29 -7.947 14.915 0.227 1.00 53.54 O ATOM 473 OE2 GLU A 29 -7.133 13.425 -1.145 1.00 33.43 O ATOM 0 H GLU A 29 -3.048 13.402 1.223 1.00 74.50 H new ATOM 0 HA GLU A 29 -4.952 12.478 3.100 1.00 34.23 H new ATOM 0 HB2 GLU A 29 -6.330 14.246 2.300 1.00 73.12 H new ATOM 0 HB3 GLU A 29 -4.677 14.825 2.259 1.00 73.12 H new ATOM 0 HG2 GLU A 29 -5.363 15.642 0.228 1.00 22.42 H new ATOM 0 HG3 GLU A 29 -4.830 14.062 -0.311 1.00 22.42 H new ATOM 480 N ARG A 30 -5.301 11.223 0.099 1.00 44.33 N ATOM 481 CA ARG A 30 -5.924 10.134 -0.684 1.00 34.23 C ATOM 482 C ARG A 30 -5.696 8.758 -0.002 1.00 54.53 C ATOM 483 O ARG A 30 -6.628 7.950 0.133 1.00 60.45 O ATOM 484 CB ARG A 30 -5.316 10.140 -2.109 1.00 11.23 C ATOM 485 CG ARG A 30 -5.939 9.138 -3.099 1.00 50.34 C ATOM 486 CD ARG A 30 -5.245 9.172 -4.474 1.00 52.53 C ATOM 487 NE ARG A 30 -5.228 10.524 -5.063 1.00 4.34 N ATOM 488 CZ ARG A 30 -4.738 10.842 -6.240 1.00 11.51 C ATOM 489 NH1 ARG A 30 -4.215 9.952 -7.025 1.00 14.22 N ATOM 490 NH2 ARG A 30 -4.767 12.069 -6.631 1.00 44.35 N ATOM 0 H ARG A 30 -4.509 11.657 -0.375 1.00 44.33 H new ATOM 0 HA ARG A 30 -7.000 10.298 -0.739 1.00 34.23 H new ATOM 0 HB2 ARG A 30 -5.415 11.143 -2.523 1.00 11.23 H new ATOM 0 HB3 ARG A 30 -4.249 9.932 -2.031 1.00 11.23 H new ATOM 0 HG2 ARG A 30 -5.873 8.132 -2.685 1.00 50.34 H new ATOM 0 HG3 ARG A 30 -6.998 9.363 -3.223 1.00 50.34 H new ATOM 0 HD2 ARG A 30 -4.222 8.811 -4.370 1.00 52.53 H new ATOM 0 HD3 ARG A 30 -5.756 8.490 -5.153 1.00 52.53 H new ATOM 0 HE ARG A 30 -5.632 11.278 -4.508 1.00 4.34 H new ATOM 0 HH11 ARG A 30 -4.176 8.975 -6.734 1.00 14.22 H new ATOM 0 HH12 ARG A 30 -3.843 10.229 -7.933 1.00 14.22 H new ATOM 0 HH21 ARG A 30 -5.169 12.787 -6.028 1.00 44.35 H new ATOM 0 HH22 ARG A 30 -4.388 12.323 -7.544 1.00 44.35 H new ATOM 504 N ILE A 31 -4.436 8.529 0.435 1.00 4.33 N ATOM 505 CA ILE A 31 -4.020 7.293 1.145 1.00 34.52 C ATOM 506 C ILE A 31 -4.787 7.109 2.480 1.00 71.35 C ATOM 507 O ILE A 31 -5.082 5.979 2.870 1.00 33.21 O ATOM 508 CB ILE A 31 -2.466 7.299 1.441 1.00 73.15 C ATOM 509 CG1 ILE A 31 -1.670 7.731 0.171 1.00 42.51 C ATOM 510 CG2 ILE A 31 -1.993 5.909 1.944 1.00 61.31 C ATOM 511 CD1 ILE A 31 -0.185 7.975 0.376 1.00 64.52 C ATOM 0 H ILE A 31 -3.676 9.197 0.306 1.00 4.33 H new ATOM 0 HA ILE A 31 -4.261 6.461 0.484 1.00 34.52 H new ATOM 0 HB ILE A 31 -2.271 8.025 2.231 1.00 73.15 H new ATOM 0 HG12 ILE A 31 -1.791 6.961 -0.591 1.00 42.51 H new ATOM 0 HG13 ILE A 31 -2.118 8.643 -0.224 1.00 42.51 H new ATOM 0 HG21 ILE A 31 -0.921 5.939 2.141 1.00 61.31 H new ATOM 0 HG22 ILE A 31 -2.523 5.654 2.862 1.00 61.31 H new ATOM 0 HG23 ILE A 31 -2.202 5.157 1.184 1.00 61.31 H new ATOM 0 HD11 ILE A 31 0.269 8.270 -0.570 1.00 64.52 H new ATOM 0 HD12 ILE A 31 -0.045 8.769 1.109 1.00 64.52 H new ATOM 0 HD13 ILE A 31 0.288 7.061 0.736 1.00 64.52 H new ATOM 523 N GLU A 32 -5.098 8.237 3.163 1.00 52.31 N ATOM 524 CA GLU A 32 -5.848 8.237 4.445 1.00 14.01 C ATOM 525 C GLU A 32 -7.195 7.467 4.326 1.00 71.14 C ATOM 526 O GLU A 32 -7.541 6.677 5.210 1.00 21.25 O ATOM 527 CB GLU A 32 -6.104 9.696 4.936 1.00 41.53 C ATOM 528 CG GLU A 32 -4.838 10.556 5.179 1.00 64.53 C ATOM 529 CD GLU A 32 -3.912 10.018 6.288 1.00 22.40 C ATOM 530 OE1 GLU A 32 -4.315 10.043 7.471 1.00 30.20 O ATOM 531 OE2 GLU A 32 -2.785 9.574 5.991 1.00 30.02 O ATOM 0 H GLU A 32 -4.838 9.170 2.843 1.00 52.31 H new ATOM 0 HA GLU A 32 -5.231 7.720 5.180 1.00 14.01 H new ATOM 0 HB2 GLU A 32 -6.729 10.203 4.201 1.00 41.53 H new ATOM 0 HB3 GLU A 32 -6.675 9.653 5.864 1.00 41.53 H new ATOM 0 HG2 GLU A 32 -4.273 10.621 4.249 1.00 64.53 H new ATOM 0 HG3 GLU A 32 -5.145 11.569 5.437 1.00 64.53 H new ATOM 538 N LYS A 33 -7.944 7.695 3.220 1.00 52.21 N ATOM 539 CA LYS A 33 -9.194 6.938 2.953 1.00 72.41 C ATOM 540 C LYS A 33 -8.876 5.491 2.505 1.00 64.42 C ATOM 541 O LYS A 33 -9.308 4.529 3.143 1.00 3.45 O ATOM 542 CB LYS A 33 -10.091 7.604 1.860 1.00 3.42 C ATOM 543 CG LYS A 33 -10.619 9.034 2.166 1.00 12.30 C ATOM 544 CD LYS A 33 -9.588 10.136 1.848 1.00 75.11 C ATOM 545 CE LYS A 33 -10.155 11.562 1.970 1.00 72.04 C ATOM 546 NZ LYS A 33 -9.146 12.587 1.588 1.00 32.04 N ATOM 0 H LYS A 33 -7.710 8.386 2.507 1.00 52.21 H new ATOM 0 HA LYS A 33 -9.744 6.937 3.894 1.00 72.41 H new ATOM 0 HB2 LYS A 33 -9.523 7.643 0.931 1.00 3.42 H new ATOM 0 HB3 LYS A 33 -10.949 6.955 1.682 1.00 3.42 H new ATOM 0 HG2 LYS A 33 -11.525 9.213 1.587 1.00 12.30 H new ATOM 0 HG3 LYS A 33 -10.896 9.096 3.218 1.00 12.30 H new ATOM 0 HD2 LYS A 33 -8.738 10.033 2.523 1.00 75.11 H new ATOM 0 HD3 LYS A 33 -9.211 9.989 0.836 1.00 75.11 H new ATOM 0 HE2 LYS A 33 -11.034 11.661 1.333 1.00 72.04 H new ATOM 0 HE3 LYS A 33 -10.483 11.737 2.995 1.00 72.04 H new ATOM 0 HZ1 LYS A 33 -9.211 13.397 2.237 1.00 32.04 H new ATOM 0 HZ2 LYS A 33 -8.193 12.174 1.645 1.00 32.04 H new ATOM 0 HZ3 LYS A 33 -9.327 12.907 0.615 1.00 32.04 H new ATOM 560 N LEU A 34 -8.066 5.372 1.430 1.00 51.21 N ATOM 561 CA LEU A 34 -7.863 4.097 0.698 1.00 40.43 C ATOM 562 C LEU A 34 -7.277 2.969 1.581 1.00 51.34 C ATOM 563 O LEU A 34 -7.690 1.817 1.460 1.00 75.24 O ATOM 564 CB LEU A 34 -6.971 4.324 -0.552 1.00 4.30 C ATOM 565 CG LEU A 34 -6.805 3.095 -1.513 1.00 12.13 C ATOM 566 CD1 LEU A 34 -8.170 2.596 -2.055 1.00 52.35 C ATOM 567 CD2 LEU A 34 -5.833 3.421 -2.672 1.00 21.02 C ATOM 0 H LEU A 34 -7.535 6.153 1.044 1.00 51.21 H new ATOM 0 HA LEU A 34 -8.852 3.762 0.385 1.00 40.43 H new ATOM 0 HB2 LEU A 34 -7.387 5.153 -1.124 1.00 4.30 H new ATOM 0 HB3 LEU A 34 -5.981 4.633 -0.216 1.00 4.30 H new ATOM 0 HG LEU A 34 -6.373 2.284 -0.927 1.00 12.13 H new ATOM 0 HD11 LEU A 34 -8.010 1.744 -2.716 1.00 52.35 H new ATOM 0 HD12 LEU A 34 -8.804 2.294 -1.221 1.00 52.35 H new ATOM 0 HD13 LEU A 34 -8.657 3.399 -2.609 1.00 52.35 H new ATOM 0 HD21 LEU A 34 -5.737 2.551 -3.322 1.00 21.02 H new ATOM 0 HD22 LEU A 34 -6.221 4.262 -3.246 1.00 21.02 H new ATOM 0 HD23 LEU A 34 -4.855 3.679 -2.265 1.00 21.02 H new ATOM 579 N ALA A 35 -6.326 3.318 2.467 1.00 72.22 N ATOM 580 CA ALA A 35 -5.688 2.356 3.400 1.00 54.33 C ATOM 581 C ALA A 35 -6.723 1.697 4.350 1.00 71.43 C ATOM 582 O ALA A 35 -6.619 0.506 4.658 1.00 72.13 O ATOM 583 CB ALA A 35 -4.572 3.049 4.204 1.00 3.22 C ATOM 0 H ALA A 35 -5.975 4.271 2.560 1.00 72.22 H new ATOM 0 HA ALA A 35 -5.247 1.559 2.801 1.00 54.33 H new ATOM 0 HB1 ALA A 35 -4.114 2.331 4.884 1.00 3.22 H new ATOM 0 HB2 ALA A 35 -3.816 3.434 3.520 1.00 3.22 H new ATOM 0 HB3 ALA A 35 -4.995 3.873 4.778 1.00 3.22 H new ATOM 589 N LYS A 36 -7.731 2.492 4.787 1.00 20.12 N ATOM 590 CA LYS A 36 -8.846 2.006 5.635 1.00 4.40 C ATOM 591 C LYS A 36 -9.746 1.009 4.863 1.00 54.44 C ATOM 592 O LYS A 36 -10.196 0.004 5.425 1.00 1.45 O ATOM 593 CB LYS A 36 -9.698 3.193 6.162 1.00 24.45 C ATOM 594 CG LYS A 36 -10.842 2.780 7.123 1.00 22.10 C ATOM 595 CD LYS A 36 -11.747 3.968 7.524 1.00 4.11 C ATOM 596 CE LYS A 36 -12.904 3.549 8.450 1.00 55.34 C ATOM 597 NZ LYS A 36 -13.839 4.673 8.725 1.00 75.25 N ATOM 0 H LYS A 36 -7.793 3.485 4.562 1.00 20.12 H new ATOM 0 HA LYS A 36 -8.407 1.484 6.485 1.00 4.40 H new ATOM 0 HB2 LYS A 36 -9.042 3.895 6.677 1.00 24.45 H new ATOM 0 HB3 LYS A 36 -10.127 3.723 5.312 1.00 24.45 H new ATOM 0 HG2 LYS A 36 -11.450 2.011 6.647 1.00 22.10 H new ATOM 0 HG3 LYS A 36 -10.413 2.337 8.022 1.00 22.10 H new ATOM 0 HD2 LYS A 36 -11.144 4.726 8.024 1.00 4.11 H new ATOM 0 HD3 LYS A 36 -12.156 4.428 6.624 1.00 4.11 H new ATOM 0 HE2 LYS A 36 -13.453 2.726 7.993 1.00 55.34 H new ATOM 0 HE3 LYS A 36 -12.498 3.178 9.391 1.00 55.34 H new ATOM 0 HZ1 LYS A 36 -14.601 4.345 9.352 1.00 75.25 H new ATOM 0 HZ2 LYS A 36 -13.322 5.450 9.185 1.00 75.25 H new ATOM 0 HZ3 LYS A 36 -14.248 5.011 7.831 1.00 75.25 H new ATOM 611 N ASP A 37 -9.997 1.306 3.573 1.00 5.01 N ATOM 612 CA ASP A 37 -10.784 0.422 2.683 1.00 30.13 C ATOM 613 C ASP A 37 -10.052 -0.913 2.405 1.00 74.33 C ATOM 614 O ASP A 37 -10.673 -1.968 2.443 1.00 22.23 O ATOM 615 CB ASP A 37 -11.132 1.148 1.362 1.00 30.53 C ATOM 616 CG ASP A 37 -12.078 2.335 1.595 1.00 50.24 C ATOM 617 OD1 ASP A 37 -13.307 2.118 1.704 1.00 65.20 O ATOM 618 OD2 ASP A 37 -11.606 3.483 1.695 1.00 22.31 O ATOM 0 H ASP A 37 -9.665 2.157 3.119 1.00 5.01 H new ATOM 0 HA ASP A 37 -11.713 0.179 3.199 1.00 30.13 H new ATOM 0 HB2 ASP A 37 -10.216 1.501 0.889 1.00 30.53 H new ATOM 0 HB3 ASP A 37 -11.596 0.444 0.672 1.00 30.53 H new ATOM 623 N VAL A 38 -8.725 -0.853 2.152 1.00 41.15 N ATOM 624 CA VAL A 38 -7.893 -2.065 1.906 1.00 51.33 C ATOM 625 C VAL A 38 -7.873 -2.989 3.148 1.00 13.21 C ATOM 626 O VAL A 38 -8.124 -4.192 3.030 1.00 54.52 O ATOM 627 CB VAL A 38 -6.410 -1.702 1.478 1.00 43.01 C ATOM 628 CG1 VAL A 38 -5.523 -2.970 1.288 1.00 31.11 C ATOM 629 CG2 VAL A 38 -6.397 -0.840 0.193 1.00 64.25 C ATOM 0 H VAL A 38 -8.201 0.021 2.112 1.00 41.15 H new ATOM 0 HA VAL A 38 -8.358 -2.596 1.075 1.00 51.33 H new ATOM 0 HB VAL A 38 -5.982 -1.121 2.295 1.00 43.01 H new ATOM 0 HG11 VAL A 38 -4.517 -2.670 0.995 1.00 31.11 H new ATOM 0 HG12 VAL A 38 -5.478 -3.526 2.224 1.00 31.11 H new ATOM 0 HG13 VAL A 38 -5.953 -3.602 0.511 1.00 31.11 H new ATOM 0 HG21 VAL A 38 -5.367 -0.606 -0.078 1.00 64.25 H new ATOM 0 HG22 VAL A 38 -6.869 -1.392 -0.620 1.00 64.25 H new ATOM 0 HG23 VAL A 38 -6.945 0.085 0.370 1.00 64.25 H new ATOM 639 N LYS A 39 -7.612 -2.406 4.343 1.00 61.34 N ATOM 640 CA LYS A 39 -7.547 -3.169 5.615 1.00 62.11 C ATOM 641 C LYS A 39 -8.933 -3.748 6.012 1.00 11.54 C ATOM 642 O LYS A 39 -9.015 -4.804 6.651 1.00 3.23 O ATOM 643 CB LYS A 39 -6.943 -2.309 6.761 1.00 55.33 C ATOM 644 CG LYS A 39 -7.858 -1.200 7.332 1.00 13.15 C ATOM 645 CD LYS A 39 -7.179 -0.387 8.466 1.00 10.22 C ATOM 646 CE LYS A 39 -6.025 0.510 7.966 1.00 43.04 C ATOM 647 NZ LYS A 39 -5.107 0.891 9.068 1.00 51.14 N ATOM 0 H LYS A 39 -7.442 -1.406 4.453 1.00 61.34 H new ATOM 0 HA LYS A 39 -6.880 -4.015 5.450 1.00 62.11 H new ATOM 0 HB2 LYS A 39 -6.660 -2.974 7.577 1.00 55.33 H new ATOM 0 HB3 LYS A 39 -6.027 -1.844 6.396 1.00 55.33 H new ATOM 0 HG2 LYS A 39 -8.146 -0.523 6.528 1.00 13.15 H new ATOM 0 HG3 LYS A 39 -8.774 -1.651 7.713 1.00 13.15 H new ATOM 0 HD2 LYS A 39 -7.928 0.235 8.956 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -6.795 -1.076 9.218 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -5.466 -0.015 7.192 1.00 43.04 H new ATOM 0 HE3 LYS A 39 -6.436 1.410 7.508 1.00 43.04 H new ATOM 0 HZ1 LYS A 39 -4.292 1.406 8.678 1.00 51.14 H new ATOM 0 HZ2 LYS A 39 -5.610 1.500 9.744 1.00 51.14 H new ATOM 0 HZ3 LYS A 39 -4.774 0.034 9.554 1.00 51.14 H new ATOM 661 N ASP A 40 -10.012 -3.048 5.606 1.00 53.34 N ATOM 662 CA ASP A 40 -11.396 -3.529 5.778 1.00 1.05 C ATOM 663 C ASP A 40 -11.645 -4.786 4.907 1.00 5.41 C ATOM 664 O ASP A 40 -12.147 -5.789 5.399 1.00 31.11 O ATOM 665 CB ASP A 40 -12.396 -2.398 5.423 1.00 22.14 C ATOM 666 CG ASP A 40 -13.875 -2.790 5.613 1.00 1.13 C ATOM 667 OD1 ASP A 40 -14.249 -3.188 6.733 1.00 32.15 O ATOM 668 OD2 ASP A 40 -14.672 -2.660 4.661 1.00 3.23 O ATOM 0 H ASP A 40 -9.948 -2.137 5.152 1.00 53.34 H new ATOM 0 HA ASP A 40 -11.548 -3.809 6.820 1.00 1.05 H new ATOM 0 HB2 ASP A 40 -12.179 -1.527 6.041 1.00 22.14 H new ATOM 0 HB3 ASP A 40 -12.239 -2.100 4.386 1.00 22.14 H new ATOM 673 N GLU A 41 -11.238 -4.712 3.625 1.00 24.52 N ATOM 674 CA GLU A 41 -11.374 -5.819 2.648 1.00 31.24 C ATOM 675 C GLU A 41 -10.546 -7.072 3.042 1.00 40.40 C ATOM 676 O GLU A 41 -10.926 -8.199 2.689 1.00 34.15 O ATOM 677 CB GLU A 41 -10.957 -5.320 1.241 1.00 44.41 C ATOM 678 CG GLU A 41 -11.869 -4.223 0.649 1.00 24.12 C ATOM 679 CD GLU A 41 -13.253 -4.743 0.239 1.00 62.33 C ATOM 680 OE1 GLU A 41 -13.409 -5.175 -0.921 1.00 64.13 O ATOM 681 OE2 GLU A 41 -14.191 -4.725 1.068 1.00 51.32 O ATOM 0 H GLU A 41 -10.802 -3.878 3.232 1.00 24.52 H new ATOM 0 HA GLU A 41 -12.420 -6.125 2.642 1.00 31.24 H new ATOM 0 HB2 GLU A 41 -9.938 -4.937 1.294 1.00 44.41 H new ATOM 0 HB3 GLU A 41 -10.943 -6.170 0.558 1.00 44.41 H new ATOM 0 HG2 GLU A 41 -11.990 -3.426 1.382 1.00 24.12 H new ATOM 0 HG3 GLU A 41 -11.381 -3.784 -0.221 1.00 24.12 H new ATOM 688 N LEU A 42 -9.418 -6.862 3.767 1.00 51.43 N ATOM 689 CA LEU A 42 -8.570 -7.974 4.294 1.00 33.31 C ATOM 690 C LEU A 42 -9.380 -8.966 5.171 1.00 42.43 C ATOM 691 O LEU A 42 -9.138 -10.177 5.138 1.00 64.20 O ATOM 692 CB LEU A 42 -7.360 -7.433 5.116 1.00 4.01 C ATOM 693 CG LEU A 42 -6.304 -6.581 4.337 1.00 60.52 C ATOM 694 CD1 LEU A 42 -5.185 -6.082 5.278 1.00 73.31 C ATOM 695 CD2 LEU A 42 -5.708 -7.348 3.130 1.00 65.02 C ATOM 0 H LEU A 42 -9.070 -5.933 4.003 1.00 51.43 H new ATOM 0 HA LEU A 42 -8.199 -8.508 3.419 1.00 33.31 H new ATOM 0 HB2 LEU A 42 -7.749 -6.827 5.934 1.00 4.01 H new ATOM 0 HB3 LEU A 42 -6.847 -8.283 5.565 1.00 4.01 H new ATOM 0 HG LEU A 42 -6.830 -5.713 3.940 1.00 60.52 H new ATOM 0 HD11 LEU A 42 -4.466 -5.493 4.708 1.00 73.31 H new ATOM 0 HD12 LEU A 42 -5.619 -5.464 6.064 1.00 73.31 H new ATOM 0 HD13 LEU A 42 -4.679 -6.937 5.727 1.00 73.31 H new ATOM 0 HD21 LEU A 42 -4.980 -6.716 2.621 1.00 65.02 H new ATOM 0 HD22 LEU A 42 -5.217 -8.255 3.482 1.00 65.02 H new ATOM 0 HD23 LEU A 42 -6.507 -7.613 2.437 1.00 65.02 H new ATOM 707 N GLU A 43 -10.342 -8.432 5.949 1.00 55.05 N ATOM 708 CA GLU A 43 -11.207 -9.234 6.857 1.00 24.33 C ATOM 709 C GLU A 43 -12.663 -9.364 6.327 1.00 0.13 C ATOM 710 O GLU A 43 -13.401 -10.246 6.773 1.00 30.43 O ATOM 711 CB GLU A 43 -11.223 -8.602 8.277 1.00 11.24 C ATOM 712 CG GLU A 43 -11.663 -7.123 8.301 1.00 45.34 C ATOM 713 CD GLU A 43 -12.018 -6.617 9.705 1.00 4.04 C ATOM 714 OE1 GLU A 43 -13.164 -6.840 10.146 1.00 3.33 O ATOM 715 OE2 GLU A 43 -11.162 -6.007 10.378 1.00 13.10 O ATOM 0 H GLU A 43 -10.547 -7.433 5.971 1.00 55.05 H new ATOM 0 HA GLU A 43 -10.782 -10.237 6.900 1.00 24.33 H new ATOM 0 HB2 GLU A 43 -11.893 -9.180 8.913 1.00 11.24 H new ATOM 0 HB3 GLU A 43 -10.226 -8.681 8.710 1.00 11.24 H new ATOM 0 HG2 GLU A 43 -10.862 -6.507 7.892 1.00 45.34 H new ATOM 0 HG3 GLU A 43 -12.527 -6.998 7.648 1.00 45.34 H new ATOM 756 N ALA A 47 -9.937 -8.749 -1.115 1.00 74.14 N ATOM 757 CA ALA A 47 -8.692 -8.090 -0.643 1.00 0.10 C ATOM 758 C ALA A 47 -7.556 -8.099 -1.690 1.00 63.43 C ATOM 759 O ALA A 47 -6.826 -7.119 -1.813 1.00 31.21 O ATOM 760 CB ALA A 47 -8.228 -8.784 0.644 1.00 30.04 C ATOM 0 HA ALA A 47 -8.924 -7.041 -0.461 1.00 0.10 H new ATOM 0 HB1 ALA A 47 -7.314 -8.311 1.003 1.00 30.04 H new ATOM 0 HB2 ALA A 47 -9.004 -8.697 1.404 1.00 30.04 H new ATOM 0 HB3 ALA A 47 -8.035 -9.837 0.440 1.00 30.04 H new ATOM 766 N LYS A 48 -7.414 -9.217 -2.434 1.00 23.31 N ATOM 767 CA LYS A 48 -6.290 -9.437 -3.390 1.00 41.30 C ATOM 768 C LYS A 48 -6.258 -8.348 -4.494 1.00 61.44 C ATOM 769 O LYS A 48 -5.186 -7.859 -4.860 1.00 51.22 O ATOM 770 CB LYS A 48 -6.385 -10.881 -3.982 1.00 64.34 C ATOM 771 CG LYS A 48 -5.211 -11.337 -4.911 1.00 32.34 C ATOM 772 CD LYS A 48 -5.438 -11.014 -6.412 1.00 70.54 C ATOM 773 CE LYS A 48 -4.268 -11.451 -7.311 1.00 15.01 C ATOM 774 NZ LYS A 48 -4.553 -11.188 -8.748 1.00 51.13 N ATOM 0 H LYS A 48 -8.071 -9.996 -2.394 1.00 23.31 H new ATOM 0 HA LYS A 48 -5.345 -9.349 -2.854 1.00 41.30 H new ATOM 0 HB2 LYS A 48 -6.456 -11.585 -3.153 1.00 64.34 H new ATOM 0 HB3 LYS A 48 -7.315 -10.957 -4.546 1.00 64.34 H new ATOM 0 HG2 LYS A 48 -4.291 -10.856 -4.581 1.00 32.34 H new ATOM 0 HG3 LYS A 48 -5.067 -12.412 -4.798 1.00 32.34 H new ATOM 0 HD2 LYS A 48 -6.350 -11.507 -6.749 1.00 70.54 H new ATOM 0 HD3 LYS A 48 -5.594 -9.941 -6.526 1.00 70.54 H new ATOM 0 HE2 LYS A 48 -3.363 -10.919 -7.016 1.00 15.01 H new ATOM 0 HE3 LYS A 48 -4.075 -12.514 -7.166 1.00 15.01 H new ATOM 0 HZ1 LYS A 48 -4.410 -12.061 -9.296 1.00 51.13 H new ATOM 0 HZ2 LYS A 48 -5.537 -10.870 -8.854 1.00 51.13 H new ATOM 0 HZ3 LYS A 48 -3.911 -10.449 -9.100 1.00 51.13 H new ATOM 788 N ASN A 49 -7.449 -7.972 -4.997 1.00 14.34 N ATOM 789 CA ASN A 49 -7.611 -6.859 -5.962 1.00 32.51 C ATOM 790 C ASN A 49 -7.181 -5.513 -5.344 1.00 13.43 C ATOM 791 O ASN A 49 -6.530 -4.713 -6.000 1.00 52.22 O ATOM 792 CB ASN A 49 -9.080 -6.791 -6.444 1.00 34.13 C ATOM 793 CG ASN A 49 -9.380 -5.601 -7.364 1.00 53.44 C ATOM 794 OD1 ASN A 49 -9.214 -5.676 -8.572 1.00 71.34 O ATOM 795 ND2 ASN A 49 -9.829 -4.496 -6.801 1.00 42.00 N ATOM 0 H ASN A 49 -8.327 -8.428 -4.749 1.00 14.34 H new ATOM 0 HA ASN A 49 -6.963 -7.050 -6.817 1.00 32.51 H new ATOM 0 HB2 ASN A 49 -9.322 -7.714 -6.971 1.00 34.13 H new ATOM 0 HB3 ASN A 49 -9.735 -6.739 -5.574 1.00 34.13 H new ATOM 0 HD21 ASN A 49 -10.045 -3.682 -7.376 1.00 42.00 H new ATOM 0 HD22 ASN A 49 -9.960 -4.456 -5.790 1.00 42.00 H new ATOM 802 N MET A 50 -7.558 -5.294 -4.072 1.00 41.45 N ATOM 803 CA MET A 50 -7.229 -4.059 -3.314 1.00 23.51 C ATOM 804 C MET A 50 -5.710 -3.904 -3.083 1.00 13.13 C ATOM 805 O MET A 50 -5.220 -2.788 -2.951 1.00 50.44 O ATOM 806 CB MET A 50 -7.992 -4.059 -1.970 1.00 2.21 C ATOM 807 CG MET A 50 -9.512 -4.051 -2.135 1.00 41.00 C ATOM 808 SD MET A 50 -10.137 -2.491 -2.800 1.00 25.01 S ATOM 809 CE MET A 50 -9.821 -1.375 -1.428 1.00 0.22 C ATOM 0 H MET A 50 -8.102 -5.967 -3.533 1.00 41.45 H new ATOM 0 HA MET A 50 -7.544 -3.203 -3.911 1.00 23.51 H new ATOM 0 HB2 MET A 50 -7.701 -4.938 -1.395 1.00 2.21 H new ATOM 0 HB3 MET A 50 -7.692 -3.186 -1.390 1.00 2.21 H new ATOM 0 HG2 MET A 50 -9.805 -4.866 -2.797 1.00 41.00 H new ATOM 0 HG3 MET A 50 -9.979 -4.241 -1.169 1.00 41.00 H new ATOM 0 HE1 MET A 50 -10.616 -0.632 -1.373 1.00 0.22 H new ATOM 0 HE2 MET A 50 -9.789 -1.942 -0.498 1.00 0.22 H new ATOM 0 HE3 MET A 50 -8.865 -0.873 -1.580 1.00 0.22 H new ATOM 819 N ILE A 51 -4.988 -5.035 -3.013 1.00 4.51 N ATOM 820 CA ILE A 51 -3.506 -5.054 -2.968 1.00 50.01 C ATOM 821 C ILE A 51 -2.920 -4.559 -4.318 1.00 21.15 C ATOM 822 O ILE A 51 -2.004 -3.731 -4.344 1.00 15.32 O ATOM 823 CB ILE A 51 -2.981 -6.505 -2.643 1.00 74.51 C ATOM 824 CG1 ILE A 51 -3.562 -7.007 -1.276 1.00 21.31 C ATOM 825 CG2 ILE A 51 -1.429 -6.576 -2.648 1.00 64.10 C ATOM 826 CD1 ILE A 51 -3.279 -8.466 -0.968 1.00 43.05 C ATOM 0 H ILE A 51 -5.409 -5.964 -2.986 1.00 4.51 H new ATOM 0 HA ILE A 51 -3.176 -4.382 -2.176 1.00 50.01 H new ATOM 0 HB ILE A 51 -3.334 -7.167 -3.434 1.00 74.51 H new ATOM 0 HG12 ILE A 51 -3.151 -6.393 -0.474 1.00 21.31 H new ATOM 0 HG13 ILE A 51 -4.641 -6.852 -1.275 1.00 21.31 H new ATOM 0 HG21 ILE A 51 -1.111 -7.593 -2.419 1.00 64.10 H new ATOM 0 HG22 ILE A 51 -1.055 -6.291 -3.631 1.00 64.10 H new ATOM 0 HG23 ILE A 51 -1.031 -5.894 -1.897 1.00 64.10 H new ATOM 0 HD11 ILE A 51 -3.717 -8.726 -0.004 1.00 43.05 H new ATOM 0 HD12 ILE A 51 -3.714 -9.093 -1.746 1.00 43.05 H new ATOM 0 HD13 ILE A 51 -2.202 -8.628 -0.932 1.00 43.05 H new ATOM 838 N GLU A 52 -3.489 -5.067 -5.435 1.00 3.33 N ATOM 839 CA GLU A 52 -3.109 -4.657 -6.812 1.00 42.41 C ATOM 840 C GLU A 52 -3.419 -3.162 -7.070 1.00 40.54 C ATOM 841 O GLU A 52 -2.634 -2.446 -7.701 1.00 5.43 O ATOM 842 CB GLU A 52 -3.871 -5.525 -7.856 1.00 43.34 C ATOM 843 CG GLU A 52 -3.699 -7.044 -7.673 1.00 51.51 C ATOM 844 CD GLU A 52 -4.439 -7.893 -8.717 1.00 41.03 C ATOM 845 OE1 GLU A 52 -5.649 -8.152 -8.551 1.00 64.21 O ATOM 846 OE2 GLU A 52 -3.808 -8.334 -9.702 1.00 23.31 O ATOM 0 H GLU A 52 -4.225 -5.773 -5.410 1.00 3.33 H new ATOM 0 HA GLU A 52 -2.034 -4.807 -6.914 1.00 42.41 H new ATOM 0 HB2 GLU A 52 -4.933 -5.284 -7.804 1.00 43.34 H new ATOM 0 HB3 GLU A 52 -3.530 -5.252 -8.855 1.00 43.34 H new ATOM 0 HG2 GLU A 52 -2.637 -7.285 -7.712 1.00 51.51 H new ATOM 0 HG3 GLU A 52 -4.052 -7.321 -6.680 1.00 51.51 H new ATOM 853 N LYS A 53 -4.579 -2.710 -6.563 1.00 52.04 N ATOM 854 CA LYS A 53 -5.085 -1.335 -6.770 1.00 3.24 C ATOM 855 C LYS A 53 -4.350 -0.319 -5.887 1.00 30.32 C ATOM 856 O LYS A 53 -4.108 0.809 -6.313 1.00 30.25 O ATOM 857 CB LYS A 53 -6.619 -1.270 -6.517 1.00 34.15 C ATOM 858 CG LYS A 53 -7.468 -2.041 -7.555 1.00 2.34 C ATOM 859 CD LYS A 53 -7.276 -1.500 -8.992 1.00 73.24 C ATOM 860 CE LYS A 53 -8.060 -2.308 -10.040 1.00 32.42 C ATOM 861 NZ LYS A 53 -7.866 -1.767 -11.414 1.00 52.12 N ATOM 0 H LYS A 53 -5.198 -3.288 -5.995 1.00 52.04 H new ATOM 0 HA LYS A 53 -4.890 -1.069 -7.809 1.00 3.24 H new ATOM 0 HB2 LYS A 53 -6.829 -1.669 -5.525 1.00 34.15 H new ATOM 0 HB3 LYS A 53 -6.931 -0.226 -6.513 1.00 34.15 H new ATOM 0 HG2 LYS A 53 -7.199 -3.097 -7.528 1.00 2.34 H new ATOM 0 HG3 LYS A 53 -8.521 -1.973 -7.282 1.00 2.34 H new ATOM 0 HD2 LYS A 53 -7.595 -0.458 -9.029 1.00 73.24 H new ATOM 0 HD3 LYS A 53 -6.216 -1.518 -9.244 1.00 73.24 H new ATOM 0 HE2 LYS A 53 -7.739 -3.349 -10.011 1.00 32.42 H new ATOM 0 HE3 LYS A 53 -9.121 -2.294 -9.790 1.00 32.42 H new ATOM 0 HZ1 LYS A 53 -8.410 -2.338 -12.092 1.00 52.12 H new ATOM 0 HZ2 LYS A 53 -8.196 -0.781 -11.449 1.00 52.12 H new ATOM 0 HZ3 LYS A 53 -6.857 -1.804 -11.662 1.00 52.12 H new ATOM 875 N PHE A 54 -4.003 -0.731 -4.654 1.00 23.45 N ATOM 876 CA PHE A 54 -3.217 0.112 -3.730 1.00 13.13 C ATOM 877 C PHE A 54 -1.761 0.240 -4.233 1.00 54.13 C ATOM 878 O PHE A 54 -1.165 1.303 -4.114 1.00 44.10 O ATOM 879 CB PHE A 54 -3.260 -0.445 -2.276 1.00 51.52 C ATOM 880 CG PHE A 54 -2.628 0.502 -1.245 1.00 65.31 C ATOM 881 CD1 PHE A 54 -3.365 1.549 -0.685 1.00 71.41 C ATOM 882 CD2 PHE A 54 -1.289 0.381 -0.881 1.00 51.32 C ATOM 883 CE1 PHE A 54 -2.787 2.432 0.205 1.00 73.43 C ATOM 884 CE2 PHE A 54 -0.710 1.267 -0.003 1.00 23.12 C ATOM 885 CZ PHE A 54 -1.455 2.292 0.543 1.00 43.44 C ATOM 0 H PHE A 54 -4.254 -1.643 -4.273 1.00 23.45 H new ATOM 0 HA PHE A 54 -3.666 1.105 -3.710 1.00 13.13 H new ATOM 0 HB2 PHE A 54 -4.297 -0.635 -1.997 1.00 51.52 H new ATOM 0 HB3 PHE A 54 -2.741 -1.403 -2.246 1.00 51.52 H new ATOM 0 HD1 PHE A 54 -4.404 1.669 -0.953 1.00 71.41 H new ATOM 0 HD2 PHE A 54 -0.696 -0.421 -1.295 1.00 51.32 H new ATOM 0 HE1 PHE A 54 -3.374 3.230 0.636 1.00 73.43 H new ATOM 0 HE2 PHE A 54 0.332 1.160 0.260 1.00 23.12 H new ATOM 0 HZ PHE A 54 -0.997 2.984 1.234 1.00 43.44 H new ATOM 895 N ARG A 55 -1.209 -0.858 -4.795 1.00 1.41 N ATOM 896 CA ARG A 55 0.120 -0.854 -5.462 1.00 54.11 C ATOM 897 C ARG A 55 0.134 0.131 -6.656 1.00 22.41 C ATOM 898 O ARG A 55 1.033 0.965 -6.757 1.00 33.34 O ATOM 899 CB ARG A 55 0.498 -2.301 -5.936 1.00 51.14 C ATOM 900 CG ARG A 55 1.668 -2.407 -6.961 1.00 12.44 C ATOM 901 CD ARG A 55 3.010 -1.825 -6.461 1.00 3.31 C ATOM 902 NE ARG A 55 3.876 -1.423 -7.595 1.00 10.11 N ATOM 903 CZ ARG A 55 5.181 -1.514 -7.632 1.00 72.23 C ATOM 904 NH1 ARG A 55 5.831 -2.135 -6.716 1.00 23.11 N ATOM 905 NH2 ARG A 55 5.835 -1.023 -8.620 1.00 21.14 N ATOM 0 H ARG A 55 -1.666 -1.770 -4.801 1.00 1.41 H new ATOM 0 HA ARG A 55 0.865 -0.520 -4.739 1.00 54.11 H new ATOM 0 HB2 ARG A 55 0.758 -2.892 -5.058 1.00 51.14 H new ATOM 0 HB3 ARG A 55 -0.387 -2.759 -6.378 1.00 51.14 H new ATOM 0 HG2 ARG A 55 1.815 -3.456 -7.219 1.00 12.44 H new ATOM 0 HG3 ARG A 55 1.381 -1.890 -7.877 1.00 12.44 H new ATOM 0 HD2 ARG A 55 2.820 -0.963 -5.822 1.00 3.31 H new ATOM 0 HD3 ARG A 55 3.526 -2.566 -5.851 1.00 3.31 H new ATOM 0 HE ARG A 55 3.413 -1.041 -8.420 1.00 10.11 H new ATOM 0 HH11 ARG A 55 5.330 -2.569 -5.941 1.00 23.11 H new ATOM 0 HH12 ARG A 55 6.848 -2.194 -6.764 1.00 23.11 H new ATOM 0 HH21 ARG A 55 5.338 -0.559 -9.381 1.00 21.14 H new ATOM 0 HH22 ARG A 55 6.852 -1.096 -8.645 1.00 21.14 H new ATOM 919 N ASP A 56 -0.869 0.007 -7.542 1.00 24.12 N ATOM 920 CA ASP A 56 -1.011 0.853 -8.748 1.00 72.21 C ATOM 921 C ASP A 56 -1.189 2.347 -8.383 1.00 41.42 C ATOM 922 O ASP A 56 -0.585 3.229 -9.008 1.00 45.35 O ATOM 923 CB ASP A 56 -2.206 0.346 -9.591 1.00 23.33 C ATOM 924 CG ASP A 56 -2.464 1.176 -10.858 1.00 61.32 C ATOM 925 OD1 ASP A 56 -1.597 1.185 -11.759 1.00 14.11 O ATOM 926 OD2 ASP A 56 -3.527 1.822 -10.962 1.00 22.40 O ATOM 0 H ASP A 56 -1.611 -0.686 -7.444 1.00 24.12 H new ATOM 0 HA ASP A 56 -0.095 0.777 -9.334 1.00 72.21 H new ATOM 0 HB2 ASP A 56 -2.024 -0.690 -9.877 1.00 23.33 H new ATOM 0 HB3 ASP A 56 -3.104 0.353 -8.973 1.00 23.33 H new ATOM 931 N GLU A 57 -2.019 2.606 -7.361 1.00 4.10 N ATOM 932 CA GLU A 57 -2.268 3.966 -6.853 1.00 1.33 C ATOM 933 C GLU A 57 -0.976 4.561 -6.249 1.00 54.50 C ATOM 934 O GLU A 57 -0.617 5.697 -6.544 1.00 71.20 O ATOM 935 CB GLU A 57 -3.419 3.954 -5.809 1.00 65.41 C ATOM 936 CG GLU A 57 -3.842 5.345 -5.289 1.00 40.11 C ATOM 937 CD GLU A 57 -4.335 6.286 -6.404 1.00 1.53 C ATOM 938 OE1 GLU A 57 -5.521 6.198 -6.784 1.00 21.32 O ATOM 939 OE2 GLU A 57 -3.547 7.131 -6.894 1.00 23.42 O ATOM 0 H GLU A 57 -2.536 1.881 -6.864 1.00 4.10 H new ATOM 0 HA GLU A 57 -2.575 4.599 -7.685 1.00 1.33 H new ATOM 0 HB2 GLU A 57 -4.288 3.469 -6.254 1.00 65.41 H new ATOM 0 HB3 GLU A 57 -3.113 3.343 -4.960 1.00 65.41 H new ATOM 0 HG2 GLU A 57 -4.633 5.224 -4.549 1.00 40.11 H new ATOM 0 HG3 GLU A 57 -2.997 5.808 -4.779 1.00 40.11 H new ATOM 946 N MET A 58 -0.281 3.760 -5.414 1.00 14.33 N ATOM 947 CA MET A 58 1.045 4.115 -4.848 1.00 54.51 C ATOM 948 C MET A 58 2.117 4.320 -5.919 1.00 2.40 C ATOM 949 O MET A 58 3.061 5.054 -5.688 1.00 11.24 O ATOM 950 CB MET A 58 1.546 3.047 -3.834 1.00 34.31 C ATOM 951 CG MET A 58 0.966 3.175 -2.420 1.00 74.14 C ATOM 952 SD MET A 58 2.170 2.679 -1.178 1.00 52.33 S ATOM 953 CE MET A 58 3.444 3.918 -1.453 1.00 60.12 C ATOM 0 H MET A 58 -0.621 2.847 -5.111 1.00 14.33 H new ATOM 0 HA MET A 58 0.889 5.063 -4.333 1.00 54.51 H new ATOM 0 HB2 MET A 58 1.304 2.058 -4.222 1.00 34.31 H new ATOM 0 HB3 MET A 58 2.633 3.108 -3.772 1.00 34.31 H new ATOM 0 HG2 MET A 58 0.659 4.205 -2.242 1.00 74.14 H new ATOM 0 HG3 MET A 58 0.073 2.556 -2.333 1.00 74.14 H new ATOM 0 HE1 MET A 58 4.367 3.428 -1.762 1.00 60.12 H new ATOM 0 HE2 MET A 58 3.120 4.606 -2.233 1.00 60.12 H new ATOM 0 HE3 MET A 58 3.618 4.472 -0.530 1.00 60.12 H new ATOM 963 N GLU A 59 1.986 3.630 -7.054 1.00 4.33 N ATOM 964 CA GLU A 59 2.941 3.734 -8.169 1.00 11.12 C ATOM 965 C GLU A 59 2.803 5.107 -8.876 1.00 34.34 C ATOM 966 O GLU A 59 3.787 5.666 -9.363 1.00 20.51 O ATOM 967 CB GLU A 59 2.712 2.554 -9.138 1.00 0.14 C ATOM 968 CG GLU A 59 3.841 2.305 -10.153 1.00 32.01 C ATOM 969 CD GLU A 59 3.560 1.078 -11.033 1.00 24.31 C ATOM 970 OE1 GLU A 59 3.901 -0.052 -10.623 1.00 72.30 O ATOM 971 OE2 GLU A 59 2.972 1.236 -12.123 1.00 72.22 O ATOM 0 H GLU A 59 1.217 2.983 -7.230 1.00 4.33 H new ATOM 0 HA GLU A 59 3.963 3.676 -7.793 1.00 11.12 H new ATOM 0 HB2 GLU A 59 2.567 1.647 -8.551 1.00 0.14 H new ATOM 0 HB3 GLU A 59 1.786 2.730 -9.686 1.00 0.14 H new ATOM 0 HG2 GLU A 59 3.962 3.185 -10.785 1.00 32.01 H new ATOM 0 HG3 GLU A 59 4.782 2.163 -9.622 1.00 32.01 H new ATOM 978 N GLN A 60 1.567 5.643 -8.896 1.00 42.33 N ATOM 979 CA GLN A 60 1.292 7.031 -9.326 1.00 74.30 C ATOM 980 C GLN A 60 1.752 8.053 -8.252 1.00 0.01 C ATOM 981 O GLN A 60 2.461 9.010 -8.562 1.00 22.23 O ATOM 982 CB GLN A 60 -0.224 7.201 -9.639 1.00 43.22 C ATOM 983 CG GLN A 60 -0.683 8.665 -9.831 1.00 75.33 C ATOM 984 CD GLN A 60 -2.137 8.797 -10.279 1.00 55.10 C ATOM 985 OE1 GLN A 60 -2.429 8.908 -11.462 1.00 54.41 O ATOM 986 NE2 GLN A 60 -3.058 8.719 -9.346 1.00 4.30 N ATOM 0 H GLN A 60 0.732 5.129 -8.616 1.00 42.33 H new ATOM 0 HA GLN A 60 1.862 7.230 -10.233 1.00 74.30 H new ATOM 0 HB2 GLN A 60 -0.460 6.639 -10.543 1.00 43.22 H new ATOM 0 HB3 GLN A 60 -0.801 6.757 -8.828 1.00 43.22 H new ATOM 0 HG2 GLN A 60 -0.550 9.204 -8.893 1.00 75.33 H new ATOM 0 HG3 GLN A 60 -0.040 9.145 -10.568 1.00 75.33 H new ATOM 0 HE21 GLN A 60 -2.786 8.627 -8.367 1.00 4.30 H new ATOM 0 HE22 GLN A 60 -4.045 8.750 -9.600 1.00 4.30 H new ATOM 995 N MET A 61 1.348 7.824 -6.988 1.00 51.02 N ATOM 996 CA MET A 61 1.671 8.723 -5.845 1.00 21.21 C ATOM 997 C MET A 61 3.189 8.753 -5.529 1.00 54.42 C ATOM 998 O MET A 61 3.686 9.689 -4.900 1.00 10.42 O ATOM 999 CB MET A 61 0.842 8.324 -4.601 1.00 71.12 C ATOM 1000 CG MET A 61 -0.683 8.459 -4.797 1.00 21.40 C ATOM 1001 SD MET A 61 -1.633 8.053 -3.314 1.00 13.55 S ATOM 1002 CE MET A 61 -1.147 6.352 -3.017 1.00 63.04 C ATOM 0 H MET A 61 0.789 7.013 -6.722 1.00 51.02 H new ATOM 0 HA MET A 61 1.398 9.738 -6.135 1.00 21.21 H new ATOM 0 HB2 MET A 61 1.075 7.292 -4.337 1.00 71.12 H new ATOM 0 HB3 MET A 61 1.147 8.945 -3.759 1.00 71.12 H new ATOM 0 HG2 MET A 61 -0.914 9.480 -5.100 1.00 21.40 H new ATOM 0 HG3 MET A 61 -0.997 7.806 -5.611 1.00 21.40 H new ATOM 0 HE1 MET A 61 -1.897 5.862 -2.396 1.00 63.04 H new ATOM 0 HE2 MET A 61 -1.063 5.826 -3.968 1.00 63.04 H new ATOM 0 HE3 MET A 61 -0.185 6.333 -2.506 1.00 63.04 H new ATOM 1012 N TYR A 62 3.895 7.698 -5.961 1.00 71.12 N ATOM 1013 CA TYR A 62 5.371 7.630 -5.956 1.00 71.20 C ATOM 1014 C TYR A 62 5.966 8.693 -6.901 1.00 25.32 C ATOM 1015 O TYR A 62 6.971 9.316 -6.589 1.00 71.13 O ATOM 1016 CB TYR A 62 5.819 6.205 -6.392 1.00 70.23 C ATOM 1017 CG TYR A 62 7.323 6.041 -6.650 1.00 43.24 C ATOM 1018 CD1 TYR A 62 8.242 6.083 -5.601 1.00 12.11 C ATOM 1019 CD2 TYR A 62 7.825 5.858 -7.947 1.00 21.12 C ATOM 1020 CE1 TYR A 62 9.593 5.955 -5.832 1.00 44.33 C ATOM 1021 CE2 TYR A 62 9.180 5.726 -8.176 1.00 15.41 C ATOM 1022 CZ TYR A 62 10.056 5.777 -7.116 1.00 61.15 C ATOM 1023 OH TYR A 62 11.408 5.645 -7.336 1.00 11.20 O ATOM 0 H TYR A 62 3.455 6.855 -6.329 1.00 71.12 H new ATOM 0 HA TYR A 62 5.736 7.832 -4.949 1.00 71.20 H new ATOM 0 HB2 TYR A 62 5.520 5.496 -5.620 1.00 70.23 H new ATOM 0 HB3 TYR A 62 5.280 5.934 -7.300 1.00 70.23 H new ATOM 0 HD1 TYR A 62 7.887 6.218 -4.590 1.00 12.11 H new ATOM 0 HD2 TYR A 62 7.140 5.820 -8.781 1.00 21.12 H new ATOM 0 HE1 TYR A 62 10.289 5.994 -5.007 1.00 44.33 H new ATOM 0 HE2 TYR A 62 9.550 5.584 -9.181 1.00 15.41 H new ATOM 0 HH TYR A 62 11.634 4.695 -7.424 1.00 11.20 H new ATOM 1033 N LYS A 63 5.317 8.874 -8.056 1.00 50.11 N ATOM 1034 CA LYS A 63 5.752 9.837 -9.094 1.00 23.05 C ATOM 1035 C LYS A 63 5.480 11.305 -8.674 1.00 54.43 C ATOM 1036 O LYS A 63 6.151 12.218 -9.166 1.00 60.52 O ATOM 1037 CB LYS A 63 5.044 9.519 -10.432 1.00 51.35 C ATOM 1038 CG LYS A 63 5.314 8.095 -10.974 1.00 3.14 C ATOM 1039 CD LYS A 63 4.495 7.776 -12.250 1.00 42.33 C ATOM 1040 CE LYS A 63 4.797 8.743 -13.409 1.00 1.05 C ATOM 1041 NZ LYS A 63 3.995 8.446 -14.624 1.00 14.22 N ATOM 0 H LYS A 63 4.472 8.359 -8.306 1.00 50.11 H new ATOM 0 HA LYS A 63 6.830 9.731 -9.218 1.00 23.05 H new ATOM 0 HB2 LYS A 63 3.970 9.647 -10.300 1.00 51.35 H new ATOM 0 HB3 LYS A 63 5.362 10.246 -11.179 1.00 51.35 H new ATOM 0 HG2 LYS A 63 6.376 7.989 -11.193 1.00 3.14 H new ATOM 0 HG3 LYS A 63 5.074 7.365 -10.201 1.00 3.14 H new ATOM 0 HD2 LYS A 63 4.710 6.756 -12.569 1.00 42.33 H new ATOM 0 HD3 LYS A 63 3.432 7.819 -12.014 1.00 42.33 H new ATOM 0 HE2 LYS A 63 4.597 9.765 -13.087 1.00 1.05 H new ATOM 0 HE3 LYS A 63 5.857 8.689 -13.656 1.00 1.05 H new ATOM 0 HZ1 LYS A 63 4.236 9.125 -15.374 1.00 14.22 H new ATOM 0 HZ2 LYS A 63 4.204 7.481 -14.951 1.00 14.22 H new ATOM 0 HZ3 LYS A 63 2.983 8.524 -14.399 1.00 14.22 H new ATOM 1055 N ASP A 64 4.482 11.517 -7.781 1.00 55.53 N ATOM 1056 CA ASP A 64 4.207 12.847 -7.170 1.00 11.24 C ATOM 1057 C ASP A 64 5.426 13.367 -6.360 1.00 15.41 C ATOM 1058 O ASP A 64 5.800 14.541 -6.471 1.00 35.22 O ATOM 1059 CB ASP A 64 2.944 12.787 -6.267 1.00 11.40 C ATOM 1060 CG ASP A 64 1.636 12.637 -7.067 1.00 11.20 C ATOM 1061 OD1 ASP A 64 1.344 11.530 -7.556 1.00 54.11 O ATOM 1062 OD2 ASP A 64 0.889 13.631 -7.207 1.00 74.33 O ATOM 0 H ASP A 64 3.850 10.782 -7.465 1.00 55.53 H new ATOM 0 HA ASP A 64 4.023 13.548 -7.984 1.00 11.24 H new ATOM 0 HB2 ASP A 64 3.038 11.949 -5.576 1.00 11.40 H new ATOM 0 HB3 ASP A 64 2.892 13.694 -5.664 1.00 11.40 H new ATOM 1067 N ALA A 65 6.026 12.479 -5.550 1.00 33.14 N ATOM 1068 CA ALA A 65 7.271 12.770 -4.801 1.00 73.34 C ATOM 1069 C ALA A 65 8.058 11.457 -4.531 1.00 21.41 C ATOM 1070 O ALA A 65 7.753 10.735 -3.569 1.00 54.33 O ATOM 1071 CB ALA A 65 6.971 13.522 -3.488 1.00 10.23 C ATOM 0 H ALA A 65 5.666 11.538 -5.393 1.00 33.14 H new ATOM 0 HA ALA A 65 7.894 13.422 -5.413 1.00 73.34 H new ATOM 0 HB1 ALA A 65 7.904 13.721 -2.961 1.00 10.23 H new ATOM 0 HB2 ALA A 65 6.474 14.465 -3.714 1.00 10.23 H new ATOM 0 HB3 ALA A 65 6.323 12.912 -2.859 1.00 10.23 H new ATOM 1077 N PRO A 66 9.038 11.086 -5.428 1.00 2.23 N ATOM 1078 CA PRO A 66 9.923 9.908 -5.221 1.00 34.32 C ATOM 1079 C PRO A 66 10.934 10.138 -4.062 1.00 53.21 C ATOM 1080 O PRO A 66 12.092 10.523 -4.278 1.00 32.20 O ATOM 1081 CB PRO A 66 10.621 9.717 -6.609 1.00 1.13 C ATOM 1082 CG PRO A 66 9.865 10.604 -7.566 1.00 50.31 C ATOM 1083 CD PRO A 66 9.332 11.745 -6.726 1.00 74.34 C ATOM 0 HA PRO A 66 9.376 9.016 -4.915 1.00 34.32 H new ATOM 0 HB2 PRO A 66 11.673 9.998 -6.561 1.00 1.13 H new ATOM 0 HB3 PRO A 66 10.584 8.675 -6.927 1.00 1.13 H new ATOM 0 HG2 PRO A 66 10.517 10.972 -8.359 1.00 50.31 H new ATOM 0 HG3 PRO A 66 9.053 10.059 -8.048 1.00 50.31 H new ATOM 0 HD2 PRO A 66 10.065 12.544 -6.617 1.00 74.34 H new ATOM 0 HD3 PRO A 66 8.439 12.189 -7.166 1.00 74.34 H new ATOM 1091 N ASN A 67 10.465 9.902 -2.821 1.00 51.42 N ATOM 1092 CA ASN A 67 11.219 10.215 -1.577 1.00 21.54 C ATOM 1093 C ASN A 67 12.156 9.057 -1.119 1.00 74.24 C ATOM 1094 O ASN A 67 12.461 8.956 0.072 1.00 42.22 O ATOM 1095 CB ASN A 67 10.203 10.582 -0.454 1.00 71.35 C ATOM 1096 CG ASN A 67 9.334 11.804 -0.791 1.00 12.10 C ATOM 1097 OD1 ASN A 67 9.757 12.709 -1.505 1.00 12.11 O ATOM 1098 ND2 ASN A 67 8.116 11.846 -0.277 1.00 34.15 N ATOM 0 H ASN A 67 9.550 9.487 -2.646 1.00 51.42 H new ATOM 0 HA ASN A 67 11.875 11.060 -1.787 1.00 21.54 H new ATOM 0 HB2 ASN A 67 9.555 9.726 -0.267 1.00 71.35 H new ATOM 0 HB3 ASN A 67 10.748 10.777 0.469 1.00 71.35 H new ATOM 0 HD21 ASN A 67 7.508 12.641 -0.471 1.00 34.15 H new ATOM 0 HD22 ASN A 67 7.785 11.083 0.314 1.00 34.15 H new ATOM 1105 N ALA A 68 12.627 8.226 -2.090 1.00 23.10 N ATOM 1106 CA ALA A 68 13.533 7.059 -1.862 1.00 75.25 C ATOM 1107 C ALA A 68 12.844 5.910 -1.068 1.00 35.01 C ATOM 1108 O ALA A 68 12.622 4.820 -1.607 1.00 71.34 O ATOM 1109 CB ALA A 68 14.867 7.487 -1.209 1.00 31.34 C ATOM 0 H ALA A 68 12.384 8.349 -3.073 1.00 23.10 H new ATOM 0 HA ALA A 68 13.767 6.655 -2.847 1.00 75.25 H new ATOM 0 HB1 ALA A 68 15.497 6.610 -1.060 1.00 31.34 H new ATOM 0 HB2 ALA A 68 15.380 8.196 -1.859 1.00 31.34 H new ATOM 0 HB3 ALA A 68 14.666 7.957 -0.246 1.00 31.34 H new ATOM 1115 N VAL A 69 12.507 6.169 0.212 1.00 43.15 N ATOM 1116 CA VAL A 69 11.748 5.230 1.075 1.00 24.41 C ATOM 1117 C VAL A 69 10.320 4.942 0.525 1.00 55.24 C ATOM 1118 O VAL A 69 9.732 3.897 0.828 1.00 52.53 O ATOM 1119 CB VAL A 69 11.652 5.772 2.550 1.00 65.43 C ATOM 1120 CG1 VAL A 69 13.060 5.915 3.174 1.00 41.12 C ATOM 1121 CG2 VAL A 69 10.886 7.115 2.609 1.00 41.01 C ATOM 0 H VAL A 69 12.754 7.040 0.682 1.00 43.15 H new ATOM 0 HA VAL A 69 12.301 4.291 1.072 1.00 24.41 H new ATOM 0 HB VAL A 69 11.090 5.044 3.135 1.00 65.43 H new ATOM 0 HG11 VAL A 69 12.970 6.291 4.193 1.00 41.12 H new ATOM 0 HG12 VAL A 69 13.552 4.943 3.188 1.00 41.12 H new ATOM 0 HG13 VAL A 69 13.652 6.612 2.581 1.00 41.12 H new ATOM 0 HG21 VAL A 69 10.838 7.461 3.641 1.00 41.01 H new ATOM 0 HG22 VAL A 69 11.404 7.857 2.001 1.00 41.01 H new ATOM 0 HG23 VAL A 69 9.875 6.975 2.226 1.00 41.01 H new ATOM 1131 N MET A 70 9.786 5.888 -0.283 1.00 52.33 N ATOM 1132 CA MET A 70 8.488 5.730 -0.987 1.00 44.30 C ATOM 1133 C MET A 70 8.525 4.508 -1.955 1.00 43.44 C ATOM 1134 O MET A 70 7.533 3.794 -2.101 1.00 24.31 O ATOM 1135 CB MET A 70 8.142 7.045 -1.750 1.00 32.13 C ATOM 1136 CG MET A 70 6.702 7.133 -2.304 1.00 52.43 C ATOM 1137 SD MET A 70 5.439 7.190 -1.003 1.00 53.41 S ATOM 1138 CE MET A 70 3.924 7.433 -1.951 1.00 32.43 C ATOM 0 H MET A 70 10.241 6.782 -0.466 1.00 52.33 H new ATOM 0 HA MET A 70 7.707 5.538 -0.252 1.00 44.30 H new ATOM 0 HB2 MET A 70 8.307 7.888 -1.079 1.00 32.13 H new ATOM 0 HB3 MET A 70 8.840 7.157 -2.580 1.00 32.13 H new ATOM 0 HG2 MET A 70 6.613 8.023 -2.927 1.00 52.43 H new ATOM 0 HG3 MET A 70 6.514 6.273 -2.947 1.00 52.43 H new ATOM 0 HE1 MET A 70 3.064 7.379 -1.283 1.00 32.43 H new ATOM 0 HE2 MET A 70 3.949 8.411 -2.432 1.00 32.43 H new ATOM 0 HE3 MET A 70 3.842 6.657 -2.712 1.00 32.43 H new ATOM 1148 N GLU A 71 9.708 4.271 -2.573 1.00 55.01 N ATOM 1149 CA GLU A 71 9.956 3.109 -3.474 1.00 60.44 C ATOM 1150 C GLU A 71 9.922 1.766 -2.707 1.00 55.13 C ATOM 1151 O GLU A 71 9.429 0.765 -3.228 1.00 34.44 O ATOM 1152 CB GLU A 71 11.335 3.266 -4.186 1.00 72.54 C ATOM 1153 CG GLU A 71 11.725 2.118 -5.155 1.00 60.40 C ATOM 1154 CD GLU A 71 10.781 1.981 -6.370 1.00 50.14 C ATOM 1155 OE1 GLU A 71 11.013 2.661 -7.390 1.00 61.11 O ATOM 1156 OE2 GLU A 71 9.812 1.187 -6.314 1.00 32.23 O ATOM 0 H GLU A 71 10.520 4.878 -2.463 1.00 55.01 H new ATOM 0 HA GLU A 71 9.156 3.095 -4.214 1.00 60.44 H new ATOM 0 HB2 GLU A 71 11.331 4.202 -4.744 1.00 72.54 H new ATOM 0 HB3 GLU A 71 12.109 3.353 -3.424 1.00 72.54 H new ATOM 0 HG2 GLU A 71 12.741 2.286 -5.513 1.00 60.40 H new ATOM 0 HG3 GLU A 71 11.733 1.177 -4.605 1.00 60.40 H new ATOM 1163 N GLN A 72 10.462 1.762 -1.468 1.00 2.01 N ATOM 1164 CA GLN A 72 10.496 0.555 -0.601 1.00 0.05 C ATOM 1165 C GLN A 72 9.072 0.045 -0.299 1.00 34.22 C ATOM 1166 O GLN A 72 8.824 -1.157 -0.276 1.00 12.15 O ATOM 1167 CB GLN A 72 11.243 0.850 0.728 1.00 13.22 C ATOM 1168 CG GLN A 72 12.695 1.343 0.551 1.00 41.05 C ATOM 1169 CD GLN A 72 13.435 1.498 1.883 1.00 5.45 C ATOM 1170 OE1 GLN A 72 13.437 2.564 2.490 1.00 13.40 O ATOM 1171 NE2 GLN A 72 14.050 0.431 2.356 1.00 1.23 N ATOM 0 H GLN A 72 10.884 2.586 -1.040 1.00 2.01 H new ATOM 0 HA GLN A 72 11.034 -0.222 -1.143 1.00 0.05 H new ATOM 0 HB2 GLN A 72 10.683 1.601 1.286 1.00 13.22 H new ATOM 0 HB3 GLN A 72 11.252 -0.056 1.334 1.00 13.22 H new ATOM 0 HG2 GLN A 72 13.238 0.641 -0.082 1.00 41.05 H new ATOM 0 HG3 GLN A 72 12.688 2.301 0.031 1.00 41.05 H new ATOM 0 HE21 GLN A 72 14.032 -0.443 1.830 1.00 1.23 H new ATOM 0 HE22 GLN A 72 14.543 0.480 3.247 1.00 1.23 H new ATOM 1180 N LEU A 73 8.150 0.998 -0.094 1.00 72.23 N ATOM 1181 CA LEU A 73 6.718 0.721 0.117 1.00 25.44 C ATOM 1182 C LEU A 73 6.106 -0.033 -1.093 1.00 3.03 C ATOM 1183 O LEU A 73 5.467 -1.070 -0.916 1.00 41.41 O ATOM 1184 CB LEU A 73 5.979 2.054 0.353 1.00 12.34 C ATOM 1185 CG LEU A 73 6.499 2.923 1.546 1.00 32.25 C ATOM 1186 CD1 LEU A 73 5.886 4.343 1.518 1.00 52.10 C ATOM 1187 CD2 LEU A 73 6.236 2.225 2.907 1.00 72.04 C ATOM 0 H LEU A 73 8.378 1.992 -0.070 1.00 72.23 H new ATOM 0 HA LEU A 73 6.607 0.079 0.991 1.00 25.44 H new ATOM 0 HB2 LEU A 73 6.042 2.648 -0.559 1.00 12.34 H new ATOM 0 HB3 LEU A 73 4.924 1.837 0.520 1.00 12.34 H new ATOM 0 HG LEU A 73 7.578 3.028 1.430 1.00 32.25 H new ATOM 0 HD11 LEU A 73 6.268 4.921 2.360 1.00 52.10 H new ATOM 0 HD12 LEU A 73 6.157 4.838 0.585 1.00 52.10 H new ATOM 0 HD13 LEU A 73 4.801 4.272 1.589 1.00 52.10 H new ATOM 0 HD21 LEU A 73 6.608 2.853 3.716 1.00 72.04 H new ATOM 0 HD22 LEU A 73 5.165 2.067 3.034 1.00 72.04 H new ATOM 0 HD23 LEU A 73 6.750 1.264 2.928 1.00 72.04 H new ATOM 1199 N LEU A 74 6.344 0.501 -2.320 1.00 0.02 N ATOM 1200 CA LEU A 74 5.952 -0.162 -3.596 1.00 34.00 C ATOM 1201 C LEU A 74 6.507 -1.607 -3.679 1.00 5.23 C ATOM 1202 O LEU A 74 5.764 -2.556 -3.962 1.00 44.23 O ATOM 1203 CB LEU A 74 6.462 0.644 -4.843 1.00 33.10 C ATOM 1204 CG LEU A 74 5.583 1.831 -5.352 1.00 33.24 C ATOM 1205 CD1 LEU A 74 5.481 2.961 -4.315 1.00 41.12 C ATOM 1206 CD2 LEU A 74 6.123 2.361 -6.703 1.00 61.23 C ATOM 0 H LEU A 74 6.810 1.398 -2.454 1.00 0.02 H new ATOM 0 HA LEU A 74 4.862 -0.192 -3.606 1.00 34.00 H new ATOM 0 HB2 LEU A 74 7.451 1.037 -4.606 1.00 33.10 H new ATOM 0 HB3 LEU A 74 6.587 -0.058 -5.667 1.00 33.10 H new ATOM 0 HG LEU A 74 4.573 1.451 -5.505 1.00 33.24 H new ATOM 0 HD11 LEU A 74 4.861 3.764 -4.712 1.00 41.12 H new ATOM 0 HD12 LEU A 74 5.033 2.575 -3.399 1.00 41.12 H new ATOM 0 HD13 LEU A 74 6.477 3.346 -4.097 1.00 41.12 H new ATOM 0 HD21 LEU A 74 5.500 3.188 -7.045 1.00 61.23 H new ATOM 0 HD22 LEU A 74 7.148 2.708 -6.574 1.00 61.23 H new ATOM 0 HD23 LEU A 74 6.101 1.561 -7.443 1.00 61.23 H new ATOM 1218 N GLU A 75 7.820 -1.735 -3.425 1.00 10.40 N ATOM 1219 CA GLU A 75 8.579 -2.995 -3.551 1.00 24.41 C ATOM 1220 C GLU A 75 8.014 -4.107 -2.643 1.00 72.00 C ATOM 1221 O GLU A 75 7.842 -5.246 -3.083 1.00 41.43 O ATOM 1222 CB GLU A 75 10.068 -2.726 -3.222 1.00 35.42 C ATOM 1223 CG GLU A 75 10.986 -3.966 -3.293 1.00 14.11 C ATOM 1224 CD GLU A 75 12.455 -3.641 -2.995 1.00 34.33 C ATOM 1225 OE1 GLU A 75 12.765 -3.281 -1.841 1.00 73.44 O ATOM 1226 OE2 GLU A 75 13.298 -3.711 -3.914 1.00 11.30 O ATOM 0 H GLU A 75 8.397 -0.951 -3.120 1.00 10.40 H new ATOM 0 HA GLU A 75 8.485 -3.350 -4.577 1.00 24.41 H new ATOM 0 HB2 GLU A 75 10.447 -1.972 -3.912 1.00 35.42 H new ATOM 0 HB3 GLU A 75 10.132 -2.302 -2.220 1.00 35.42 H new ATOM 0 HG2 GLU A 75 10.633 -4.714 -2.582 1.00 14.11 H new ATOM 0 HG3 GLU A 75 10.912 -4.410 -4.286 1.00 14.11 H new ATOM 1233 N GLU A 76 7.706 -3.752 -1.383 1.00 61.51 N ATOM 1234 CA GLU A 76 7.161 -4.708 -0.399 1.00 3.53 C ATOM 1235 C GLU A 76 5.754 -5.215 -0.802 1.00 72.32 C ATOM 1236 O GLU A 76 5.433 -6.375 -0.546 1.00 44.45 O ATOM 1237 CB GLU A 76 7.133 -4.089 1.022 1.00 0.43 C ATOM 1238 CG GLU A 76 8.524 -3.737 1.594 1.00 1.11 C ATOM 1239 CD GLU A 76 8.478 -3.299 3.069 1.00 25.00 C ATOM 1240 OE1 GLU A 76 8.297 -2.094 3.350 1.00 23.51 O ATOM 1241 OE2 GLU A 76 8.616 -4.171 3.958 1.00 54.51 O ATOM 0 H GLU A 76 7.825 -2.806 -1.020 1.00 61.51 H new ATOM 0 HA GLU A 76 7.828 -5.570 -0.387 1.00 3.53 H new ATOM 0 HB2 GLU A 76 6.524 -3.185 0.999 1.00 0.43 H new ATOM 0 HB3 GLU A 76 6.642 -4.787 1.699 1.00 0.43 H new ATOM 0 HG2 GLU A 76 9.179 -4.603 1.499 1.00 1.11 H new ATOM 0 HG3 GLU A 76 8.964 -2.938 0.998 1.00 1.11 H new ATOM 1248 N ILE A 77 4.935 -4.345 -1.445 1.00 61.30 N ATOM 1249 CA ILE A 77 3.596 -4.737 -1.965 1.00 74.32 C ATOM 1250 C ILE A 77 3.732 -5.616 -3.238 1.00 25.25 C ATOM 1251 O ILE A 77 2.895 -6.477 -3.492 1.00 54.05 O ATOM 1252 CB ILE A 77 2.695 -3.479 -2.304 1.00 64.52 C ATOM 1253 CG1 ILE A 77 2.634 -2.482 -1.106 1.00 11.21 C ATOM 1254 CG2 ILE A 77 1.253 -3.906 -2.706 1.00 25.24 C ATOM 1255 CD1 ILE A 77 1.963 -1.150 -1.416 1.00 65.35 C ATOM 0 H ILE A 77 5.176 -3.369 -1.617 1.00 61.30 H new ATOM 0 HA ILE A 77 3.112 -5.306 -1.172 1.00 74.32 H new ATOM 0 HB ILE A 77 3.160 -2.976 -3.152 1.00 64.52 H new ATOM 0 HG12 ILE A 77 2.102 -2.958 -0.282 1.00 11.21 H new ATOM 0 HG13 ILE A 77 3.650 -2.289 -0.760 1.00 11.21 H new ATOM 0 HG21 ILE A 77 0.661 -3.019 -2.932 1.00 25.24 H new ATOM 0 HG22 ILE A 77 1.296 -4.548 -3.586 1.00 25.24 H new ATOM 0 HG23 ILE A 77 0.792 -4.450 -1.882 1.00 25.24 H new ATOM 0 HD11 ILE A 77 1.968 -0.524 -0.524 1.00 65.35 H new ATOM 0 HD12 ILE A 77 2.506 -0.646 -2.216 1.00 65.35 H new ATOM 0 HD13 ILE A 77 0.934 -1.325 -1.731 1.00 65.35 H new ATOM 1267 N GLU A 78 4.815 -5.401 -4.016 1.00 60.12 N ATOM 1268 CA GLU A 78 5.043 -6.101 -5.305 1.00 11.11 C ATOM 1269 C GLU A 78 5.443 -7.572 -5.032 1.00 52.02 C ATOM 1270 O GLU A 78 4.860 -8.505 -5.597 1.00 65.04 O ATOM 1271 CB GLU A 78 6.133 -5.329 -6.120 1.00 64.44 C ATOM 1272 CG GLU A 78 6.223 -5.635 -7.644 1.00 60.10 C ATOM 1273 CD GLU A 78 7.068 -6.875 -8.006 1.00 41.22 C ATOM 1274 OE1 GLU A 78 8.292 -6.735 -8.194 1.00 23.42 O ATOM 1275 OE2 GLU A 78 6.515 -7.985 -8.127 1.00 31.31 O ATOM 0 H GLU A 78 5.554 -4.741 -3.772 1.00 60.12 H new ATOM 0 HA GLU A 78 4.131 -6.118 -5.901 1.00 11.11 H new ATOM 0 HB2 GLU A 78 5.954 -4.261 -5.999 1.00 64.44 H new ATOM 0 HB3 GLU A 78 7.104 -5.542 -5.674 1.00 64.44 H new ATOM 0 HG2 GLU A 78 5.214 -5.774 -8.033 1.00 60.10 H new ATOM 0 HG3 GLU A 78 6.643 -4.766 -8.151 1.00 60.10 H new ATOM 1282 N LYS A 79 6.426 -7.742 -4.123 1.00 1.34 N ATOM 1283 CA LYS A 79 6.868 -9.060 -3.600 1.00 63.41 C ATOM 1284 C LYS A 79 5.705 -9.819 -2.908 1.00 62.33 C ATOM 1285 O LYS A 79 5.538 -11.035 -3.091 1.00 23.32 O ATOM 1286 CB LYS A 79 8.052 -8.851 -2.596 1.00 2.21 C ATOM 1287 CG LYS A 79 9.461 -8.773 -3.242 1.00 75.05 C ATOM 1288 CD LYS A 79 9.644 -7.652 -4.322 1.00 4.41 C ATOM 1289 CE LYS A 79 10.237 -8.187 -5.640 1.00 23.05 C ATOM 1290 NZ LYS A 79 10.561 -7.098 -6.592 1.00 3.43 N ATOM 0 H LYS A 79 6.944 -6.959 -3.724 1.00 1.34 H new ATOM 0 HA LYS A 79 7.201 -9.668 -4.441 1.00 63.41 H new ATOM 0 HB2 LYS A 79 7.875 -7.932 -2.037 1.00 2.21 H new ATOM 0 HB3 LYS A 79 8.045 -9.669 -1.876 1.00 2.21 H new ATOM 0 HG2 LYS A 79 10.196 -8.617 -2.452 1.00 75.05 H new ATOM 0 HG3 LYS A 79 9.686 -9.736 -3.701 1.00 75.05 H new ATOM 0 HD2 LYS A 79 8.679 -7.188 -4.525 1.00 4.41 H new ATOM 0 HD3 LYS A 79 10.295 -6.873 -3.925 1.00 4.41 H new ATOM 0 HE2 LYS A 79 11.139 -8.759 -5.424 1.00 23.05 H new ATOM 0 HE3 LYS A 79 9.528 -8.873 -6.103 1.00 23.05 H new ATOM 0 HZ1 LYS A 79 11.296 -7.422 -7.253 1.00 3.43 H new ATOM 0 HZ2 LYS A 79 9.707 -6.837 -7.125 1.00 3.43 H new ATOM 0 HZ3 LYS A 79 10.908 -6.270 -6.067 1.00 3.43 H new ATOM 1304 N LEU A 80 4.916 -9.069 -2.116 1.00 62.43 N ATOM 1305 CA LEU A 80 3.711 -9.586 -1.431 1.00 30.23 C ATOM 1306 C LEU A 80 2.674 -10.080 -2.459 1.00 63.12 C ATOM 1307 O LEU A 80 2.083 -11.139 -2.277 1.00 1.31 O ATOM 1308 CB LEU A 80 3.129 -8.459 -0.520 1.00 41.20 C ATOM 1309 CG LEU A 80 1.939 -8.808 0.454 1.00 74.43 C ATOM 1310 CD1 LEU A 80 1.901 -7.818 1.638 1.00 75.03 C ATOM 1311 CD2 LEU A 80 0.561 -8.815 -0.260 1.00 23.02 C ATOM 0 H LEU A 80 5.095 -8.082 -1.931 1.00 62.43 H new ATOM 0 HA LEU A 80 3.974 -10.441 -0.808 1.00 30.23 H new ATOM 0 HB2 LEU A 80 3.947 -8.068 0.085 1.00 41.20 H new ATOM 0 HB3 LEU A 80 2.797 -7.648 -1.169 1.00 41.20 H new ATOM 0 HG LEU A 80 2.125 -9.818 0.820 1.00 74.43 H new ATOM 0 HD11 LEU A 80 1.074 -8.074 2.300 1.00 75.03 H new ATOM 0 HD12 LEU A 80 2.839 -7.875 2.191 1.00 75.03 H new ATOM 0 HD13 LEU A 80 1.764 -6.805 1.261 1.00 75.03 H new ATOM 0 HD21 LEU A 80 -0.220 -9.061 0.459 1.00 23.02 H new ATOM 0 HD22 LEU A 80 0.366 -7.830 -0.684 1.00 23.02 H new ATOM 0 HD23 LEU A 80 0.568 -9.559 -1.057 1.00 23.02 H new ATOM 1323 N LEU A 81 2.496 -9.303 -3.546 1.00 62.44 N ATOM 1324 CA LEU A 81 1.472 -9.561 -4.582 1.00 23.41 C ATOM 1325 C LEU A 81 1.726 -10.878 -5.351 1.00 1.22 C ATOM 1326 O LEU A 81 0.778 -11.526 -5.813 1.00 3.44 O ATOM 1327 CB LEU A 81 1.377 -8.363 -5.564 1.00 35.51 C ATOM 1328 CG LEU A 81 0.222 -8.433 -6.615 1.00 3.44 C ATOM 1329 CD1 LEU A 81 -1.148 -8.663 -5.924 1.00 75.31 C ATOM 1330 CD2 LEU A 81 0.198 -7.161 -7.497 1.00 51.44 C ATOM 0 H LEU A 81 3.061 -8.474 -3.732 1.00 62.44 H new ATOM 0 HA LEU A 81 0.518 -9.674 -4.067 1.00 23.41 H new ATOM 0 HB2 LEU A 81 1.258 -7.449 -4.982 1.00 35.51 H new ATOM 0 HB3 LEU A 81 2.324 -8.280 -6.098 1.00 35.51 H new ATOM 0 HG LEU A 81 0.412 -9.286 -7.266 1.00 3.44 H new ATOM 0 HD11 LEU A 81 -1.933 -8.708 -6.679 1.00 75.31 H new ATOM 0 HD12 LEU A 81 -1.123 -9.602 -5.370 1.00 75.31 H new ATOM 0 HD13 LEU A 81 -1.351 -7.842 -5.237 1.00 75.31 H new ATOM 0 HD21 LEU A 81 -0.615 -7.235 -8.220 1.00 51.44 H new ATOM 0 HD22 LEU A 81 0.045 -6.284 -6.867 1.00 51.44 H new ATOM 0 HD23 LEU A 81 1.147 -7.067 -8.026 1.00 51.44 H new ATOM 1342 N LYS A 82 3.007 -11.256 -5.488 1.00 55.54 N ATOM 1343 CA LYS A 82 3.407 -12.536 -6.118 1.00 23.41 C ATOM 1344 C LYS A 82 2.850 -13.741 -5.314 1.00 1.23 C ATOM 1345 O LYS A 82 2.343 -14.713 -5.887 1.00 53.31 O ATOM 1346 CB LYS A 82 4.959 -12.614 -6.223 1.00 3.52 C ATOM 1347 CG LYS A 82 5.661 -11.430 -6.970 1.00 54.44 C ATOM 1348 CD LYS A 82 5.351 -11.332 -8.507 1.00 13.13 C ATOM 1349 CE LYS A 82 4.019 -10.626 -8.858 1.00 72.35 C ATOM 1350 NZ LYS A 82 3.966 -9.231 -8.354 1.00 74.12 N ATOM 0 H LYS A 82 3.794 -10.691 -5.169 1.00 55.54 H new ATOM 0 HA LYS A 82 2.985 -12.579 -7.122 1.00 23.41 H new ATOM 0 HB2 LYS A 82 5.368 -12.674 -5.214 1.00 3.52 H new ATOM 0 HB3 LYS A 82 5.222 -13.543 -6.729 1.00 3.52 H new ATOM 0 HG2 LYS A 82 5.364 -10.495 -6.495 1.00 54.44 H new ATOM 0 HG3 LYS A 82 6.739 -11.526 -6.838 1.00 54.44 H new ATOM 0 HD2 LYS A 82 6.167 -10.799 -8.995 1.00 13.13 H new ATOM 0 HD3 LYS A 82 5.333 -12.339 -8.924 1.00 13.13 H new ATOM 0 HE2 LYS A 82 3.887 -10.623 -9.940 1.00 72.35 H new ATOM 0 HE3 LYS A 82 3.189 -11.193 -8.437 1.00 72.35 H new ATOM 0 HZ1 LYS A 82 3.197 -8.718 -8.832 1.00 74.12 H new ATOM 0 HZ2 LYS A 82 3.792 -9.239 -7.329 1.00 74.12 H new ATOM 0 HZ3 LYS A 82 4.871 -8.757 -8.548 1.00 74.12 H new ATOM 1364 N LYS A 83 2.977 -13.653 -3.978 1.00 32.13 N ATOM 1365 CA LYS A 83 2.392 -14.631 -3.029 1.00 64.10 C ATOM 1366 C LYS A 83 0.851 -14.473 -2.889 1.00 62.13 C ATOM 1367 O LYS A 83 0.141 -15.454 -2.622 1.00 32.44 O ATOM 1368 CB LYS A 83 3.087 -14.495 -1.651 1.00 10.40 C ATOM 1369 CG LYS A 83 4.613 -14.742 -1.709 1.00 23.44 C ATOM 1370 CD LYS A 83 5.291 -14.695 -0.321 1.00 54.11 C ATOM 1371 CE LYS A 83 6.799 -15.005 -0.392 1.00 5.54 C ATOM 1372 NZ LYS A 83 7.427 -15.033 0.956 1.00 2.45 N ATOM 0 H LYS A 83 3.490 -12.900 -3.519 1.00 32.13 H new ATOM 0 HA LYS A 83 2.566 -15.630 -3.429 1.00 64.10 H new ATOM 0 HB2 LYS A 83 2.902 -13.496 -1.256 1.00 10.40 H new ATOM 0 HB3 LYS A 83 2.638 -15.202 -0.954 1.00 10.40 H new ATOM 0 HG2 LYS A 83 4.800 -15.714 -2.165 1.00 23.44 H new ATOM 0 HG3 LYS A 83 5.071 -13.994 -2.355 1.00 23.44 H new ATOM 0 HD2 LYS A 83 5.146 -13.708 0.118 1.00 54.11 H new ATOM 0 HD3 LYS A 83 4.806 -15.412 0.341 1.00 54.11 H new ATOM 0 HE2 LYS A 83 6.948 -15.967 -0.881 1.00 5.54 H new ATOM 0 HE3 LYS A 83 7.295 -14.254 -1.007 1.00 5.54 H new ATOM 0 HZ1 LYS A 83 8.441 -15.245 0.862 1.00 2.45 H new ATOM 0 HZ2 LYS A 83 7.308 -14.107 1.414 1.00 2.45 H new ATOM 0 HZ3 LYS A 83 6.972 -15.767 1.536 1.00 2.45 H new ATOM 1386 N ALA A 84 0.353 -13.226 -3.047 1.00 42.15 N ATOM 1387 CA ALA A 84 -1.084 -12.894 -2.908 1.00 4.44 C ATOM 1388 C ALA A 84 -1.904 -13.429 -4.110 1.00 32.31 C ATOM 1389 O ALA A 84 -1.957 -12.808 -5.182 1.00 31.11 O ATOM 1390 CB ALA A 84 -1.283 -11.371 -2.738 1.00 75.32 C ATOM 0 H ALA A 84 0.936 -12.421 -3.275 1.00 42.15 H new ATOM 0 HA ALA A 84 -1.454 -13.387 -2.009 1.00 4.44 H new ATOM 0 HB1 ALA A 84 -2.346 -11.152 -2.638 1.00 75.32 H new ATOM 0 HB2 ALA A 84 -0.757 -11.033 -1.845 1.00 75.32 H new ATOM 0 HB3 ALA A 84 -0.886 -10.853 -3.611 1.00 75.32 H new