USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 496 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 11 ASN : amide:sc= 0.0364 K(o=0.079,f=-1.4) USER MOD Set 1.2: A 70 TYR OH : rot -9:sc= 0.0425 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 176:sc= -1.12 (180deg=-1.19) USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= 0.0232 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.866 K(o=0.87,f=0) USER MOD Single : A 32 TYR OH : rot 15:sc=-0.00376 USER MOD Single : A 50 MET CE :methyl -144:sc= 0 (180deg=-0.0217) USER MOD Single : A 52 LYS NZ :NH3+ -141:sc= 1.27 (180deg=0.31) USER MOD Single : A 60 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0106) USER MOD Single : A 69 LYS NZ :NH3+ -129:sc= 1.21 (180deg=-0.161) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0126) USER MOD ----------------------------------------------------------------- ATOM 84 N ALA A 6 -12.656 1.924 1.269 1.00 75.21 N ATOM 85 CA ALA A 6 -12.029 1.818 -0.037 1.00 53.23 C ATOM 86 C ALA A 6 -10.649 2.483 -0.077 1.00 15.13 C ATOM 87 O ALA A 6 -10.009 2.520 -1.132 1.00 4.53 O ATOM 88 CB ALA A 6 -12.957 2.459 -1.068 1.00 43.35 C ATOM 0 HA ALA A 6 -11.871 0.763 -0.263 1.00 53.23 H new ATOM 0 HB1 ALA A 6 -12.505 2.390 -2.057 1.00 43.35 H new ATOM 0 HB2 ALA A 6 -13.914 1.938 -1.070 1.00 43.35 H new ATOM 0 HB3 ALA A 6 -13.115 3.507 -0.813 1.00 43.35 H new ATOM 94 N GLU A 7 -10.187 3.051 1.031 1.00 52.24 N ATOM 95 CA GLU A 7 -8.985 3.821 1.134 1.00 22.04 C ATOM 96 C GLU A 7 -7.991 3.005 1.971 1.00 12.42 C ATOM 97 O GLU A 7 -6.884 2.731 1.515 1.00 35.44 O ATOM 98 CB GLU A 7 -9.485 5.145 1.710 1.00 52.41 C ATOM 99 CG GLU A 7 -8.371 6.000 2.268 1.00 35.30 C ATOM 100 CD GLU A 7 -8.570 7.490 1.958 1.00 55.12 C ATOM 101 OE1 GLU A 7 -8.515 7.862 0.757 1.00 21.33 O ATOM 102 OE2 GLU A 7 -8.780 8.305 2.881 1.00 34.03 O ATOM 0 H GLU A 7 -10.679 2.974 1.921 1.00 52.24 H new ATOM 0 HA GLU A 7 -8.428 4.039 0.222 1.00 22.04 H new ATOM 0 HB2 GLU A 7 -10.007 5.700 0.931 1.00 52.41 H new ATOM 0 HB3 GLU A 7 -10.210 4.942 2.498 1.00 52.41 H new ATOM 0 HG2 GLU A 7 -8.314 5.860 3.347 1.00 35.30 H new ATOM 0 HG3 GLU A 7 -7.419 5.669 1.853 1.00 35.30 H new ATOM 109 N ALA A 8 -8.428 2.446 3.101 1.00 34.04 N ATOM 110 CA ALA A 8 -7.622 1.538 3.911 1.00 35.34 C ATOM 111 C ALA A 8 -7.157 0.327 3.095 1.00 2.42 C ATOM 112 O ALA A 8 -5.991 -0.063 3.175 1.00 42.32 O ATOM 113 CB ALA A 8 -8.430 1.088 5.131 1.00 62.32 C ATOM 0 H ALA A 8 -9.360 2.614 3.481 1.00 34.04 H new ATOM 0 HA ALA A 8 -6.730 2.069 4.245 1.00 35.34 H new ATOM 0 HB1 ALA A 8 -7.828 0.410 5.736 1.00 62.32 H new ATOM 0 HB2 ALA A 8 -8.705 1.959 5.727 1.00 62.32 H new ATOM 0 HB3 ALA A 8 -9.333 0.575 4.800 1.00 62.32 H new ATOM 119 N ARG A 9 -8.041 -0.267 2.277 1.00 42.25 N ATOM 120 CA ARG A 9 -7.651 -1.412 1.448 1.00 11.22 C ATOM 121 C ARG A 9 -6.604 -1.024 0.406 1.00 42.11 C ATOM 122 O ARG A 9 -5.756 -1.844 0.057 1.00 61.44 O ATOM 123 CB ARG A 9 -8.896 -2.034 0.794 1.00 75.21 C ATOM 124 CG ARG A 9 -8.597 -3.278 -0.061 1.00 31.00 C ATOM 125 CD ARG A 9 -7.783 -4.348 0.679 1.00 40.11 C ATOM 126 NE ARG A 9 -8.138 -5.697 0.233 1.00 44.53 N ATOM 127 CZ ARG A 9 -9.136 -6.438 0.723 1.00 40.53 C ATOM 128 NH1 ARG A 9 -9.969 -5.982 1.657 1.00 52.33 N ATOM 129 NH2 ARG A 9 -9.292 -7.660 0.261 1.00 61.13 N ATOM 0 H ARG A 9 -9.014 0.022 2.174 1.00 42.25 H new ATOM 0 HA ARG A 9 -7.188 -2.160 2.092 1.00 11.22 H new ATOM 0 HB2 ARG A 9 -9.607 -2.304 1.574 1.00 75.21 H new ATOM 0 HB3 ARG A 9 -9.379 -1.283 0.169 1.00 75.21 H new ATOM 0 HG2 ARG A 9 -9.538 -3.715 -0.394 1.00 31.00 H new ATOM 0 HG3 ARG A 9 -8.053 -2.973 -0.955 1.00 31.00 H new ATOM 0 HD2 ARG A 9 -6.719 -4.177 0.513 1.00 40.11 H new ATOM 0 HD3 ARG A 9 -7.956 -4.261 1.752 1.00 40.11 H new ATOM 0 HE ARG A 9 -7.576 -6.105 -0.514 1.00 44.53 H new ATOM 0 HH11 ARG A 9 -9.857 -5.037 2.023 1.00 52.33 H new ATOM 0 HH12 ARG A 9 -10.719 -6.578 2.006 1.00 52.33 H new ATOM 0 HH21 ARG A 9 -8.659 -8.020 -0.454 1.00 61.13 H new ATOM 0 HH22 ARG A 9 -10.046 -8.248 0.617 1.00 61.13 H new ATOM 143 N ARG A 10 -6.644 0.216 -0.088 1.00 40.33 N ATOM 144 CA ARG A 10 -5.652 0.759 -1.008 1.00 44.44 C ATOM 145 C ARG A 10 -4.288 0.658 -0.335 1.00 23.41 C ATOM 146 O ARG A 10 -3.415 -0.061 -0.820 1.00 54.13 O ATOM 147 CB ARG A 10 -6.044 2.208 -1.373 1.00 31.20 C ATOM 148 CG ARG A 10 -5.521 2.629 -2.747 1.00 54.24 C ATOM 149 CD ARG A 10 -5.079 4.100 -2.759 1.00 13.13 C ATOM 150 NE ARG A 10 -6.209 4.995 -2.476 1.00 64.41 N ATOM 151 CZ ARG A 10 -6.148 6.266 -2.062 1.00 52.55 C ATOM 152 NH1 ARG A 10 -4.991 6.874 -1.818 1.00 44.52 N ATOM 153 NH2 ARG A 10 -7.291 6.915 -1.904 1.00 44.41 N ATOM 0 H ARG A 10 -7.382 0.880 0.147 1.00 40.33 H new ATOM 0 HA ARG A 10 -5.608 0.201 -1.943 1.00 44.44 H new ATOM 0 HB2 ARG A 10 -7.130 2.302 -1.357 1.00 31.20 H new ATOM 0 HB3 ARG A 10 -5.654 2.888 -0.616 1.00 31.20 H new ATOM 0 HG2 ARG A 10 -4.680 1.994 -3.027 1.00 54.24 H new ATOM 0 HG3 ARG A 10 -6.299 2.476 -3.495 1.00 54.24 H new ATOM 0 HD2 ARG A 10 -4.295 4.253 -2.017 1.00 13.13 H new ATOM 0 HD3 ARG A 10 -4.651 4.346 -3.731 1.00 13.13 H new ATOM 0 HE ARG A 10 -7.142 4.605 -2.610 1.00 64.41 H new ATOM 0 HH11 ARG A 10 -4.113 6.370 -1.945 1.00 44.52 H new ATOM 0 HH12 ARG A 10 -4.981 7.844 -1.503 1.00 44.52 H new ATOM 0 HH21 ARG A 10 -8.175 6.445 -2.096 1.00 44.41 H new ATOM 0 HH22 ARG A 10 -7.287 7.885 -1.590 1.00 44.41 H new ATOM 167 N ASN A 11 -4.140 1.291 0.827 1.00 53.54 N ATOM 168 CA ASN A 11 -2.855 1.356 1.513 1.00 15.20 C ATOM 169 C ASN A 11 -2.401 -0.025 1.990 1.00 32.11 C ATOM 170 O ASN A 11 -1.217 -0.349 1.901 1.00 13.50 O ATOM 171 CB ASN A 11 -2.912 2.395 2.646 1.00 13.11 C ATOM 172 CG ASN A 11 -3.172 3.795 2.087 1.00 40.41 C ATOM 173 OD1 ASN A 11 -2.727 4.095 0.984 1.00 22.42 O ATOM 174 ND2 ASN A 11 -3.930 4.646 2.754 1.00 33.42 N ATOM 0 H ASN A 11 -4.899 1.768 1.314 1.00 53.54 H new ATOM 0 HA ASN A 11 -2.095 1.688 0.806 1.00 15.20 H new ATOM 0 HB2 ASN A 11 -3.699 2.128 3.351 1.00 13.11 H new ATOM 0 HB3 ASN A 11 -1.973 2.388 3.199 1.00 13.11 H new ATOM 0 HD21 ASN A 11 -4.148 5.558 2.352 1.00 33.42 H new ATOM 0 HD22 ASN A 11 -4.297 4.391 3.671 1.00 33.42 H new ATOM 181 N LYS A 12 -3.324 -0.898 2.425 1.00 61.42 N ATOM 182 CA LYS A 12 -2.981 -2.286 2.760 1.00 75.24 C ATOM 183 C LYS A 12 -2.317 -2.978 1.570 1.00 15.41 C ATOM 184 O LYS A 12 -1.267 -3.596 1.731 1.00 32.31 O ATOM 185 CB LYS A 12 -4.220 -3.068 3.235 1.00 20.44 C ATOM 186 CG LYS A 12 -3.823 -4.458 3.770 1.00 73.22 C ATOM 187 CD LYS A 12 -5.023 -5.250 4.300 1.00 72.44 C ATOM 188 CE LYS A 12 -4.595 -6.208 5.419 1.00 33.01 C ATOM 189 NZ LYS A 12 -5.607 -7.243 5.711 1.00 73.35 N ATOM 0 H LYS A 12 -4.309 -0.667 2.552 1.00 61.42 H new ATOM 0 HA LYS A 12 -2.268 -2.268 3.585 1.00 75.24 H new ATOM 0 HB2 LYS A 12 -4.732 -2.506 4.016 1.00 20.44 H new ATOM 0 HB3 LYS A 12 -4.923 -3.179 2.410 1.00 20.44 H new ATOM 0 HG2 LYS A 12 -3.341 -5.025 2.974 1.00 73.22 H new ATOM 0 HG3 LYS A 12 -3.089 -4.340 4.567 1.00 73.22 H new ATOM 0 HD2 LYS A 12 -5.781 -4.562 4.675 1.00 72.44 H new ATOM 0 HD3 LYS A 12 -5.479 -5.815 3.487 1.00 72.44 H new ATOM 0 HE2 LYS A 12 -3.659 -6.692 5.138 1.00 33.01 H new ATOM 0 HE3 LYS A 12 -4.398 -5.635 6.325 1.00 33.01 H new ATOM 0 HZ1 LYS A 12 -5.263 -7.860 6.474 1.00 73.35 H new ATOM 0 HZ2 LYS A 12 -6.494 -6.788 6.007 1.00 73.35 H new ATOM 0 HZ3 LYS A 12 -5.778 -7.812 4.857 1.00 73.35 H new ATOM 203 N LEU A 13 -2.924 -2.882 0.383 1.00 54.15 N ATOM 204 CA LEU A 13 -2.432 -3.585 -0.792 1.00 73.32 C ATOM 205 C LEU A 13 -1.012 -3.165 -1.157 1.00 3.23 C ATOM 206 O LEU A 13 -0.229 -4.049 -1.505 1.00 10.32 O ATOM 207 CB LEU A 13 -3.365 -3.414 -2.000 1.00 13.53 C ATOM 208 CG LEU A 13 -4.509 -4.427 -2.109 1.00 25.02 C ATOM 209 CD1 LEU A 13 -5.261 -4.153 -3.412 1.00 22.30 C ATOM 210 CD2 LEU A 13 -3.973 -5.859 -2.137 1.00 65.45 C ATOM 0 H LEU A 13 -3.759 -2.321 0.217 1.00 54.15 H new ATOM 0 HA LEU A 13 -2.414 -4.642 -0.527 1.00 73.32 H new ATOM 0 HB2 LEU A 13 -3.794 -2.413 -1.965 1.00 13.53 H new ATOM 0 HB3 LEU A 13 -2.766 -3.472 -2.909 1.00 13.53 H new ATOM 0 HG LEU A 13 -5.164 -4.323 -1.244 1.00 25.02 H new ATOM 0 HD11 LEU A 13 -6.082 -4.862 -3.514 1.00 22.30 H new ATOM 0 HD12 LEU A 13 -5.658 -3.138 -3.397 1.00 22.30 H new ATOM 0 HD13 LEU A 13 -4.580 -4.263 -4.256 1.00 22.30 H new ATOM 0 HD21 LEU A 13 -4.806 -6.558 -2.215 1.00 65.45 H new ATOM 0 HD22 LEU A 13 -3.313 -5.984 -2.996 1.00 65.45 H new ATOM 0 HD23 LEU A 13 -3.417 -6.057 -1.221 1.00 65.45 H new ATOM 222 N MET A 14 -0.643 -1.876 -1.087 1.00 2.50 N ATOM 223 CA MET A 14 0.730 -1.482 -1.364 1.00 3.54 C ATOM 224 C MET A 14 1.720 -2.253 -0.482 1.00 14.50 C ATOM 225 O MET A 14 2.683 -2.825 -1.000 1.00 41.52 O ATOM 226 CB MET A 14 0.838 0.047 -1.262 1.00 2.24 C ATOM 227 CG MET A 14 2.275 0.576 -1.262 1.00 33.10 C ATOM 228 SD MET A 14 3.420 -0.117 -2.492 1.00 64.13 S ATOM 229 CE MET A 14 3.580 1.259 -3.643 1.00 53.13 C ATOM 0 H MET A 14 -1.270 -1.108 -0.845 1.00 2.50 H new ATOM 0 HA MET A 14 1.009 -1.754 -2.382 1.00 3.54 H new ATOM 0 HB2 MET A 14 0.298 0.495 -2.096 1.00 2.24 H new ATOM 0 HB3 MET A 14 0.342 0.375 -0.348 1.00 2.24 H new ATOM 0 HG2 MET A 14 2.237 1.656 -1.408 1.00 33.10 H new ATOM 0 HG3 MET A 14 2.698 0.403 -0.272 1.00 33.10 H new ATOM 0 HE1 MET A 14 4.308 1.006 -4.414 1.00 53.13 H new ATOM 0 HE2 MET A 14 2.614 1.459 -4.108 1.00 53.13 H new ATOM 0 HE3 MET A 14 3.914 2.146 -3.105 1.00 53.13 H new ATOM 239 N GLY A 15 1.453 -2.372 0.822 1.00 3.42 N ATOM 240 CA GLY A 15 2.366 -3.071 1.719 1.00 42.45 C ATOM 241 C GLY A 15 2.578 -4.539 1.355 1.00 35.01 C ATOM 242 O GLY A 15 3.634 -5.071 1.672 1.00 20.11 O ATOM 0 H GLY A 15 0.619 -1.996 1.273 1.00 3.42 H new ATOM 0 HA2 GLY A 15 3.329 -2.561 1.713 1.00 42.45 H new ATOM 0 HA3 GLY A 15 1.980 -3.010 2.736 1.00 42.45 H new ATOM 246 N LEU A 16 1.638 -5.199 0.670 1.00 42.41 N ATOM 247 CA LEU A 16 1.799 -6.592 0.266 1.00 1.42 C ATOM 248 C LEU A 16 2.786 -6.730 -0.890 1.00 14.55 C ATOM 249 O LEU A 16 3.603 -7.651 -0.869 1.00 51.42 O ATOM 250 CB LEU A 16 0.440 -7.187 -0.118 1.00 22.03 C ATOM 251 CG LEU A 16 -0.434 -7.477 1.114 1.00 32.20 C ATOM 252 CD1 LEU A 16 -1.877 -7.682 0.664 1.00 41.44 C ATOM 253 CD2 LEU A 16 0.066 -8.711 1.877 1.00 41.43 C ATOM 0 H LEU A 16 0.752 -4.783 0.384 1.00 42.41 H new ATOM 0 HA LEU A 16 2.205 -7.144 1.114 1.00 1.42 H new ATOM 0 HB2 LEU A 16 -0.084 -6.496 -0.779 1.00 22.03 H new ATOM 0 HB3 LEU A 16 0.594 -8.109 -0.678 1.00 22.03 H new ATOM 0 HG LEU A 16 -0.375 -6.626 1.793 1.00 32.20 H new ATOM 0 HD11 LEU A 16 -2.503 -7.888 1.532 1.00 41.44 H new ATOM 0 HD12 LEU A 16 -2.234 -6.781 0.165 1.00 41.44 H new ATOM 0 HD13 LEU A 16 -1.927 -8.523 -0.027 1.00 41.44 H new ATOM 0 HD21 LEU A 16 -0.574 -8.888 2.742 1.00 41.43 H new ATOM 0 HD22 LEU A 16 0.038 -9.581 1.221 1.00 41.43 H new ATOM 0 HD23 LEU A 16 1.090 -8.542 2.211 1.00 41.43 H new ATOM 265 N TRP A 17 2.752 -5.831 -1.882 1.00 24.11 N ATOM 266 CA TRP A 17 3.776 -5.819 -2.930 1.00 10.22 C ATOM 267 C TRP A 17 5.143 -5.567 -2.292 1.00 45.13 C ATOM 268 O TRP A 17 6.095 -6.294 -2.566 1.00 50.30 O ATOM 269 CB TRP A 17 3.468 -4.764 -4.008 1.00 71.34 C ATOM 270 CG TRP A 17 4.540 -4.622 -5.054 1.00 25.45 C ATOM 271 CD1 TRP A 17 4.822 -5.507 -6.038 1.00 54.23 C ATOM 272 CD2 TRP A 17 5.531 -3.560 -5.197 1.00 2.43 C ATOM 273 NE1 TRP A 17 5.922 -5.079 -6.757 1.00 11.23 N ATOM 274 CE2 TRP A 17 6.379 -3.863 -6.300 1.00 50.42 C ATOM 275 CE3 TRP A 17 5.771 -2.347 -4.522 1.00 50.40 C ATOM 276 CZ2 TRP A 17 7.407 -3.003 -6.711 1.00 65.13 C ATOM 277 CZ3 TRP A 17 6.805 -1.478 -4.916 1.00 52.22 C ATOM 278 CH2 TRP A 17 7.621 -1.801 -6.016 1.00 30.01 C ATOM 0 H TRP A 17 2.035 -5.112 -1.979 1.00 24.11 H new ATOM 0 HA TRP A 17 3.782 -6.789 -3.428 1.00 10.22 H new ATOM 0 HB2 TRP A 17 2.530 -5.024 -4.498 1.00 71.34 H new ATOM 0 HB3 TRP A 17 3.318 -3.799 -3.524 1.00 71.34 H new ATOM 0 HD1 TRP A 17 4.269 -6.414 -6.233 1.00 54.23 H new ATOM 0 HE1 TRP A 17 6.342 -5.598 -7.528 1.00 11.23 H new ATOM 0 HE3 TRP A 17 5.147 -2.078 -3.683 1.00 50.40 H new ATOM 0 HZ2 TRP A 17 8.029 -3.262 -7.555 1.00 65.13 H new ATOM 0 HZ3 TRP A 17 6.973 -0.560 -4.372 1.00 52.22 H new ATOM 0 HH2 TRP A 17 8.408 -1.128 -6.324 1.00 30.01 H new ATOM 289 N VAL A 18 5.231 -4.578 -1.401 1.00 10.25 N ATOM 290 CA VAL A 18 6.464 -4.227 -0.722 1.00 5.42 C ATOM 291 C VAL A 18 7.001 -5.421 0.065 1.00 53.54 C ATOM 292 O VAL A 18 8.174 -5.746 -0.073 1.00 23.15 O ATOM 293 CB VAL A 18 6.195 -3.008 0.164 1.00 15.43 C ATOM 294 CG1 VAL A 18 7.363 -2.702 1.085 1.00 22.24 C ATOM 295 CG2 VAL A 18 5.921 -1.770 -0.697 1.00 20.04 C ATOM 0 H VAL A 18 4.437 -3.997 -1.133 1.00 10.25 H new ATOM 0 HA VAL A 18 7.239 -3.966 -1.442 1.00 5.42 H new ATOM 0 HB VAL A 18 5.323 -3.250 0.772 1.00 15.43 H new ATOM 0 HG11 VAL A 18 7.127 -1.830 1.694 1.00 22.24 H new ATOM 0 HG12 VAL A 18 7.549 -3.558 1.734 1.00 22.24 H new ATOM 0 HG13 VAL A 18 8.253 -2.498 0.489 1.00 22.24 H new ATOM 0 HG21 VAL A 18 5.732 -0.912 -0.051 1.00 20.04 H new ATOM 0 HG22 VAL A 18 6.787 -1.566 -1.327 1.00 20.04 H new ATOM 0 HG23 VAL A 18 5.049 -1.950 -1.326 1.00 20.04 H new ATOM 305 N ALA A 19 6.159 -6.080 0.861 1.00 31.35 N ATOM 306 CA ALA A 19 6.515 -7.265 1.621 1.00 32.25 C ATOM 307 C ALA A 19 7.163 -8.323 0.722 1.00 50.50 C ATOM 308 O ALA A 19 8.204 -8.869 1.082 1.00 63.43 O ATOM 309 CB ALA A 19 5.260 -7.799 2.313 1.00 61.04 C ATOM 0 H ALA A 19 5.189 -5.793 0.994 1.00 31.35 H new ATOM 0 HA ALA A 19 7.255 -7.007 2.378 1.00 32.25 H new ATOM 0 HB1 ALA A 19 5.513 -8.690 2.888 1.00 61.04 H new ATOM 0 HB2 ALA A 19 4.861 -7.036 2.982 1.00 61.04 H new ATOM 0 HB3 ALA A 19 4.511 -8.052 1.563 1.00 61.04 H new ATOM 315 N GLU A 20 6.604 -8.575 -0.463 1.00 43.11 N ATOM 316 CA GLU A 20 7.127 -9.569 -1.386 1.00 30.02 C ATOM 317 C GLU A 20 8.484 -9.137 -1.946 1.00 45.51 C ATOM 318 O GLU A 20 9.411 -9.946 -2.011 1.00 21.34 O ATOM 319 CB GLU A 20 6.070 -9.819 -2.465 1.00 14.43 C ATOM 320 CG GLU A 20 6.573 -10.758 -3.561 1.00 23.02 C ATOM 321 CD GLU A 20 5.460 -11.174 -4.524 1.00 3.24 C ATOM 322 OE1 GLU A 20 4.367 -11.585 -4.071 1.00 2.43 O ATOM 323 OE2 GLU A 20 5.654 -11.036 -5.750 1.00 65.02 O ATOM 0 H GLU A 20 5.774 -8.091 -0.805 1.00 43.11 H new ATOM 0 HA GLU A 20 7.319 -10.512 -0.874 1.00 30.02 H new ATOM 0 HB2 GLU A 20 5.178 -10.245 -2.005 1.00 14.43 H new ATOM 0 HB3 GLU A 20 5.776 -8.868 -2.910 1.00 14.43 H new ATOM 0 HG2 GLU A 20 7.369 -10.267 -4.120 1.00 23.02 H new ATOM 0 HG3 GLU A 20 7.006 -11.648 -3.104 1.00 23.02 H new ATOM 330 N VAL A 21 8.638 -7.858 -2.288 1.00 52.11 N ATOM 331 CA VAL A 21 9.916 -7.282 -2.695 1.00 50.43 C ATOM 332 C VAL A 21 10.942 -7.356 -1.552 1.00 23.43 C ATOM 333 O VAL A 21 12.128 -7.520 -1.817 1.00 24.02 O ATOM 334 CB VAL A 21 9.682 -5.844 -3.207 1.00 1.33 C ATOM 335 CG1 VAL A 21 10.980 -5.068 -3.464 1.00 65.20 C ATOM 336 CG2 VAL A 21 8.887 -5.857 -4.523 1.00 33.05 C ATOM 0 H VAL A 21 7.870 -7.187 -2.290 1.00 52.11 H new ATOM 0 HA VAL A 21 10.343 -7.861 -3.514 1.00 50.43 H new ATOM 0 HB VAL A 21 9.129 -5.345 -2.411 1.00 1.33 H new ATOM 0 HG11 VAL A 21 10.740 -4.067 -3.822 1.00 65.20 H new ATOM 0 HG12 VAL A 21 11.550 -4.996 -2.538 1.00 65.20 H new ATOM 0 HG13 VAL A 21 11.573 -5.589 -4.215 1.00 65.20 H new ATOM 0 HG21 VAL A 21 8.734 -4.834 -4.866 1.00 33.05 H new ATOM 0 HG22 VAL A 21 9.443 -6.413 -5.278 1.00 33.05 H new ATOM 0 HG23 VAL A 21 7.920 -6.334 -4.359 1.00 33.05 H new ATOM 346 N LEU A 22 10.516 -7.269 -0.289 1.00 25.31 N ATOM 347 CA LEU A 22 11.358 -7.472 0.892 1.00 14.12 C ATOM 348 C LEU A 22 11.571 -8.960 1.200 1.00 23.32 C ATOM 349 O LEU A 22 12.249 -9.286 2.175 1.00 12.14 O ATOM 350 CB LEU A 22 10.735 -6.765 2.112 1.00 32.11 C ATOM 351 CG LEU A 22 10.763 -5.227 2.048 1.00 31.21 C ATOM 352 CD1 LEU A 22 9.887 -4.661 3.167 1.00 34.42 C ATOM 353 CD2 LEU A 22 12.184 -4.665 2.189 1.00 22.15 C ATOM 0 H LEU A 22 9.548 -7.049 -0.054 1.00 25.31 H new ATOM 0 HA LEU A 22 12.335 -7.039 0.676 1.00 14.12 H new ATOM 0 HB2 LEU A 22 9.700 -7.092 2.215 1.00 32.11 H new ATOM 0 HB3 LEU A 22 11.262 -7.087 3.010 1.00 32.11 H new ATOM 0 HG LEU A 22 10.384 -4.930 1.070 1.00 31.21 H new ATOM 0 HD11 LEU A 22 9.903 -3.572 3.126 1.00 34.42 H new ATOM 0 HD12 LEU A 22 8.863 -5.014 3.041 1.00 34.42 H new ATOM 0 HD13 LEU A 22 10.269 -4.994 4.132 1.00 34.42 H new ATOM 0 HD21 LEU A 22 12.152 -3.577 2.138 1.00 22.15 H new ATOM 0 HD22 LEU A 22 12.603 -4.971 3.148 1.00 22.15 H new ATOM 0 HD23 LEU A 22 12.808 -5.048 1.382 1.00 22.15 H new ATOM 365 N GLY A 23 10.989 -9.873 0.420 1.00 62.44 N ATOM 366 CA GLY A 23 11.173 -11.303 0.598 1.00 34.05 C ATOM 367 C GLY A 23 10.457 -11.842 1.837 1.00 30.01 C ATOM 368 O GLY A 23 10.821 -12.906 2.338 1.00 44.31 O ATOM 0 H GLY A 23 10.373 -9.633 -0.357 1.00 62.44 H new ATOM 0 HA2 GLY A 23 10.804 -11.825 -0.285 1.00 34.05 H new ATOM 0 HA3 GLY A 23 12.238 -11.521 0.676 1.00 34.05 H new ATOM 372 N LYS A 24 9.471 -11.122 2.378 1.00 4.51 N ATOM 373 CA LYS A 24 8.553 -11.654 3.382 1.00 31.05 C ATOM 374 C LYS A 24 7.627 -12.678 2.711 1.00 50.50 C ATOM 375 O LYS A 24 7.529 -12.716 1.477 1.00 70.10 O ATOM 376 CB LYS A 24 7.732 -10.495 3.975 1.00 64.00 C ATOM 377 CG LYS A 24 8.555 -9.475 4.783 1.00 31.35 C ATOM 378 CD LYS A 24 7.653 -8.388 5.395 1.00 51.51 C ATOM 379 CE LYS A 24 8.232 -7.844 6.708 1.00 24.02 C ATOM 380 NZ LYS A 24 9.417 -6.982 6.538 1.00 4.31 N ATOM 0 H LYS A 24 9.288 -10.150 2.129 1.00 4.51 H new ATOM 0 HA LYS A 24 9.105 -12.143 4.185 1.00 31.05 H new ATOM 0 HB2 LYS A 24 7.226 -9.973 3.163 1.00 64.00 H new ATOM 0 HB3 LYS A 24 6.957 -10.909 4.620 1.00 64.00 H new ATOM 0 HG2 LYS A 24 9.098 -9.989 5.576 1.00 31.35 H new ATOM 0 HG3 LYS A 24 9.300 -9.011 4.136 1.00 31.35 H new ATOM 0 HD2 LYS A 24 7.534 -7.571 4.684 1.00 51.51 H new ATOM 0 HD3 LYS A 24 6.660 -8.799 5.578 1.00 51.51 H new ATOM 0 HE2 LYS A 24 7.457 -7.279 7.226 1.00 24.02 H new ATOM 0 HE3 LYS A 24 8.497 -8.684 7.350 1.00 24.02 H new ATOM 0 HZ1 LYS A 24 10.030 -7.066 7.374 1.00 4.31 H new ATOM 0 HZ2 LYS A 24 9.943 -7.278 5.691 1.00 4.31 H new ATOM 0 HZ3 LYS A 24 9.114 -5.993 6.429 1.00 4.31 H new ATOM 394 N SER A 25 6.859 -13.442 3.487 1.00 0.35 N ATOM 395 CA SER A 25 5.684 -14.149 2.981 1.00 51.52 C ATOM 396 C SER A 25 4.696 -14.421 4.105 1.00 35.02 C ATOM 397 O SER A 25 5.036 -14.275 5.282 1.00 34.33 O ATOM 398 CB SER A 25 6.074 -15.469 2.306 1.00 32.12 C ATOM 399 OG SER A 25 6.737 -16.333 3.204 1.00 5.12 O ATOM 0 H SER A 25 7.033 -13.588 4.481 1.00 0.35 H new ATOM 0 HA SER A 25 5.212 -13.507 2.237 1.00 51.52 H new ATOM 0 HB2 SER A 25 5.180 -15.960 1.920 1.00 32.12 H new ATOM 0 HB3 SER A 25 6.720 -15.265 1.452 1.00 32.12 H new ATOM 0 HG SER A 25 6.971 -17.166 2.744 1.00 5.12 H new ATOM 405 N GLY A 26 3.514 -14.902 3.727 1.00 64.30 N ATOM 406 CA GLY A 26 2.485 -15.397 4.623 1.00 43.11 C ATOM 407 C GLY A 26 2.127 -14.337 5.649 1.00 15.24 C ATOM 408 O GLY A 26 1.870 -13.182 5.299 1.00 72.42 O ATOM 0 H GLY A 26 3.241 -14.958 2.746 1.00 64.30 H new ATOM 0 HA2 GLY A 26 1.599 -15.675 4.052 1.00 43.11 H new ATOM 0 HA3 GLY A 26 2.835 -16.298 5.127 1.00 43.11 H new ATOM 412 N ASP A 27 2.088 -14.719 6.923 1.00 51.50 N ATOM 413 CA ASP A 27 1.644 -13.811 7.975 1.00 54.21 C ATOM 414 C ASP A 27 2.558 -12.606 8.102 1.00 60.03 C ATOM 415 O ASP A 27 2.063 -11.527 8.401 1.00 42.33 O ATOM 416 CB ASP A 27 1.553 -14.513 9.325 1.00 13.55 C ATOM 417 CG ASP A 27 0.091 -14.660 9.726 1.00 42.42 C ATOM 418 OD1 ASP A 27 -0.581 -15.589 9.221 1.00 3.13 O ATOM 419 OD2 ASP A 27 -0.382 -13.819 10.524 1.00 14.52 O ATOM 0 H ASP A 27 2.357 -15.647 7.250 1.00 51.50 H new ATOM 0 HA ASP A 27 0.650 -13.472 7.684 1.00 54.21 H new ATOM 0 HB2 ASP A 27 2.026 -15.494 9.269 1.00 13.55 H new ATOM 0 HB3 ASP A 27 2.092 -13.942 10.081 1.00 13.55 H new ATOM 424 N GLU A 28 3.857 -12.751 7.827 1.00 53.30 N ATOM 425 CA GLU A 28 4.809 -11.655 7.857 1.00 54.53 C ATOM 426 C GLU A 28 4.388 -10.549 6.881 1.00 72.23 C ATOM 427 O GLU A 28 4.370 -9.366 7.216 1.00 0.55 O ATOM 428 CB GLU A 28 6.192 -12.216 7.493 1.00 63.33 C ATOM 429 CG GLU A 28 7.227 -12.059 8.593 1.00 42.12 C ATOM 430 CD GLU A 28 7.821 -10.652 8.664 1.00 53.33 C ATOM 431 OE1 GLU A 28 7.065 -9.693 8.928 1.00 74.41 O ATOM 432 OE2 GLU A 28 9.047 -10.490 8.475 1.00 22.35 O ATOM 0 H GLU A 28 4.275 -13.647 7.575 1.00 53.30 H new ATOM 0 HA GLU A 28 4.842 -11.211 8.852 1.00 54.53 H new ATOM 0 HB2 GLU A 28 6.092 -13.274 7.250 1.00 63.33 H new ATOM 0 HB3 GLU A 28 6.552 -11.715 6.594 1.00 63.33 H new ATOM 0 HG2 GLU A 28 6.769 -12.302 9.552 1.00 42.12 H new ATOM 0 HG3 GLU A 28 8.030 -12.778 8.433 1.00 42.12 H new ATOM 439 N ALA A 29 3.974 -10.934 5.669 1.00 44.54 N ATOM 440 CA ALA A 29 3.511 -9.988 4.660 1.00 32.23 C ATOM 441 C ALA A 29 2.270 -9.229 5.136 1.00 61.23 C ATOM 442 O ALA A 29 2.071 -8.057 4.811 1.00 63.00 O ATOM 443 CB ALA A 29 3.204 -10.741 3.362 1.00 43.34 C ATOM 0 H ALA A 29 3.952 -11.907 5.365 1.00 44.54 H new ATOM 0 HA ALA A 29 4.299 -9.256 4.484 1.00 32.23 H new ATOM 0 HB1 ALA A 29 2.858 -10.036 2.606 1.00 43.34 H new ATOM 0 HB2 ALA A 29 4.107 -11.239 3.008 1.00 43.34 H new ATOM 0 HB3 ALA A 29 2.429 -11.484 3.547 1.00 43.34 H new ATOM 449 N ASN A 30 1.431 -9.902 5.918 1.00 71.10 N ATOM 450 CA ASN A 30 0.182 -9.367 6.426 1.00 43.31 C ATOM 451 C ASN A 30 0.460 -8.461 7.621 1.00 42.23 C ATOM 452 O ASN A 30 -0.129 -7.385 7.720 1.00 14.53 O ATOM 453 CB ASN A 30 -0.782 -10.506 6.782 1.00 2.32 C ATOM 454 CG ASN A 30 -1.378 -11.157 5.539 1.00 34.20 C ATOM 455 OD1 ASN A 30 -2.408 -10.701 5.056 1.00 42.25 O ATOM 456 ND2 ASN A 30 -0.764 -12.174 4.964 1.00 20.04 N ATOM 0 H ASN A 30 1.610 -10.859 6.221 1.00 71.10 H new ATOM 0 HA ASN A 30 -0.299 -8.767 5.654 1.00 43.31 H new ATOM 0 HB2 ASN A 30 -0.254 -11.258 7.368 1.00 2.32 H new ATOM 0 HB3 ASN A 30 -1.585 -10.119 7.409 1.00 2.32 H new ATOM 0 HD21 ASN A 30 -1.146 -12.585 4.112 1.00 20.04 H new ATOM 0 HD22 ASN A 30 0.093 -12.549 5.371 1.00 20.04 H new ATOM 463 N ALA A 31 1.369 -8.863 8.511 1.00 73.02 N ATOM 464 CA ALA A 31 1.846 -8.071 9.630 1.00 35.03 C ATOM 465 C ALA A 31 2.449 -6.770 9.109 1.00 42.22 C ATOM 466 O ALA A 31 2.148 -5.698 9.641 1.00 53.24 O ATOM 467 CB ALA A 31 2.863 -8.880 10.442 1.00 14.12 C ATOM 0 H ALA A 31 1.805 -9.784 8.464 1.00 73.02 H new ATOM 0 HA ALA A 31 1.017 -7.820 10.291 1.00 35.03 H new ATOM 0 HB1 ALA A 31 3.218 -8.281 11.281 1.00 14.12 H new ATOM 0 HB2 ALA A 31 2.389 -9.787 10.818 1.00 14.12 H new ATOM 0 HB3 ALA A 31 3.706 -9.148 9.805 1.00 14.12 H new ATOM 473 N TYR A 32 3.253 -6.844 8.047 1.00 44.30 N ATOM 474 CA TYR A 32 3.837 -5.674 7.404 1.00 13.14 C ATOM 475 C TYR A 32 2.737 -4.777 6.840 1.00 55.51 C ATOM 476 O TYR A 32 2.733 -3.562 7.050 1.00 0.12 O ATOM 477 CB TYR A 32 4.779 -6.127 6.293 1.00 44.34 C ATOM 478 CG TYR A 32 5.617 -4.990 5.752 1.00 33.32 C ATOM 479 CD1 TYR A 32 6.807 -4.650 6.418 1.00 72.41 C ATOM 480 CD2 TYR A 32 5.206 -4.254 4.622 1.00 60.10 C ATOM 481 CE1 TYR A 32 7.647 -3.660 5.900 1.00 11.43 C ATOM 482 CE2 TYR A 32 6.023 -3.230 4.108 1.00 14.42 C ATOM 483 CZ TYR A 32 7.268 -2.957 4.740 1.00 33.13 C ATOM 484 OH TYR A 32 8.116 -2.006 4.272 1.00 40.34 O ATOM 0 H TYR A 32 3.517 -7.726 7.608 1.00 44.30 H new ATOM 0 HA TYR A 32 4.401 -5.100 8.139 1.00 13.14 H new ATOM 0 HB2 TYR A 32 5.435 -6.910 6.673 1.00 44.34 H new ATOM 0 HB3 TYR A 32 4.197 -6.564 5.482 1.00 44.34 H new ATOM 0 HD1 TYR A 32 7.074 -5.156 7.334 1.00 72.41 H new ATOM 0 HD2 TYR A 32 4.261 -4.477 4.149 1.00 60.10 H new ATOM 0 HE1 TYR A 32 8.584 -3.435 6.388 1.00 11.43 H new ATOM 0 HE2 TYR A 32 5.709 -2.660 3.246 1.00 14.42 H new ATOM 0 HH TYR A 32 8.994 -2.115 4.693 1.00 40.34 H new ATOM 494 N ALA A 33 1.748 -5.372 6.166 1.00 61.25 N ATOM 495 CA ALA A 33 0.603 -4.666 5.611 1.00 12.20 C ATOM 496 C ALA A 33 -0.332 -4.060 6.683 1.00 75.21 C ATOM 497 O ALA A 33 -1.391 -3.535 6.330 1.00 53.33 O ATOM 498 CB ALA A 33 -0.152 -5.591 4.651 1.00 63.25 C ATOM 0 H ALA A 33 1.726 -6.377 5.991 1.00 61.25 H new ATOM 0 HA ALA A 33 0.986 -3.808 5.059 1.00 12.20 H new ATOM 0 HB1 ALA A 33 -1.010 -5.062 4.235 1.00 63.25 H new ATOM 0 HB2 ALA A 33 0.512 -5.897 3.843 1.00 63.25 H new ATOM 0 HB3 ALA A 33 -0.496 -6.473 5.191 1.00 63.25 H new ATOM 504 N ALA A 34 0.002 -4.109 7.979 1.00 64.12 N ATOM 505 CA ALA A 34 -0.611 -3.250 8.985 1.00 54.41 C ATOM 506 C ALA A 34 0.097 -1.900 9.065 1.00 51.21 C ATOM 507 O ALA A 34 -0.584 -0.883 9.168 1.00 2.50 O ATOM 508 CB ALA A 34 -0.591 -3.926 10.351 1.00 54.21 C ATOM 0 H ALA A 34 0.705 -4.747 8.353 1.00 64.12 H new ATOM 0 HA ALA A 34 -1.645 -3.079 8.687 1.00 54.41 H new ATOM 0 HB1 ALA A 34 -1.053 -3.270 11.089 1.00 54.21 H new ATOM 0 HB2 ALA A 34 -1.146 -4.863 10.301 1.00 54.21 H new ATOM 0 HB3 ALA A 34 0.440 -4.129 10.641 1.00 54.21 H new ATOM 514 N GLU A 35 1.428 -1.856 8.982 1.00 75.43 N ATOM 515 CA GLU A 35 2.186 -0.613 9.103 1.00 75.34 C ATOM 516 C GLU A 35 1.803 0.329 7.974 1.00 31.30 C ATOM 517 O GLU A 35 1.464 1.470 8.239 1.00 14.53 O ATOM 518 CB GLU A 35 3.696 -0.879 9.108 1.00 13.41 C ATOM 519 CG GLU A 35 4.106 -1.506 10.445 1.00 42.14 C ATOM 520 CD GLU A 35 5.610 -1.727 10.522 1.00 54.42 C ATOM 521 OE1 GLU A 35 6.363 -0.788 10.865 1.00 21.24 O ATOM 522 OE2 GLU A 35 6.056 -2.872 10.285 1.00 40.14 O ATOM 0 H GLU A 35 2.008 -2.681 8.829 1.00 75.43 H new ATOM 0 HA GLU A 35 1.938 -0.145 10.056 1.00 75.34 H new ATOM 0 HB2 GLU A 35 3.960 -1.545 8.287 1.00 13.41 H new ATOM 0 HB3 GLU A 35 4.240 0.053 8.950 1.00 13.41 H new ATOM 0 HG2 GLU A 35 3.790 -0.859 11.263 1.00 42.14 H new ATOM 0 HG3 GLU A 35 3.591 -2.458 10.575 1.00 42.14 H new ATOM 529 N VAL A 36 1.736 -0.165 6.738 1.00 0.30 N ATOM 530 CA VAL A 36 1.440 0.629 5.555 1.00 12.23 C ATOM 531 C VAL A 36 0.034 1.243 5.625 1.00 15.32 C ATOM 532 O VAL A 36 -0.232 2.215 4.926 1.00 11.32 O ATOM 533 CB VAL A 36 1.716 -0.216 4.291 1.00 74.31 C ATOM 534 CG1 VAL A 36 1.706 0.632 3.013 1.00 1.43 C ATOM 535 CG2 VAL A 36 3.089 -0.910 4.394 1.00 60.04 C ATOM 0 H VAL A 36 1.890 -1.152 6.531 1.00 0.30 H new ATOM 0 HA VAL A 36 2.104 1.492 5.504 1.00 12.23 H new ATOM 0 HB VAL A 36 0.915 -0.953 4.232 1.00 74.31 H new ATOM 0 HG11 VAL A 36 1.905 -0.006 2.152 1.00 1.43 H new ATOM 0 HG12 VAL A 36 0.731 1.104 2.897 1.00 1.43 H new ATOM 0 HG13 VAL A 36 2.476 1.401 3.080 1.00 1.43 H new ATOM 0 HG21 VAL A 36 3.266 -1.501 3.495 1.00 60.04 H new ATOM 0 HG22 VAL A 36 3.871 -0.157 4.494 1.00 60.04 H new ATOM 0 HG23 VAL A 36 3.102 -1.564 5.266 1.00 60.04 H new ATOM 545 N VAL A 37 -0.868 0.755 6.481 1.00 0.30 N ATOM 546 CA VAL A 37 -2.198 1.343 6.672 1.00 52.23 C ATOM 547 C VAL A 37 -2.145 2.564 7.595 1.00 24.34 C ATOM 548 O VAL A 37 -3.119 3.297 7.738 1.00 51.11 O ATOM 549 CB VAL A 37 -3.138 0.260 7.223 1.00 52.21 C ATOM 550 CG1 VAL A 37 -4.553 0.754 7.565 1.00 33.04 C ATOM 551 CG2 VAL A 37 -3.250 -0.861 6.190 1.00 32.03 C ATOM 0 H VAL A 37 -0.696 -0.064 7.065 1.00 0.30 H new ATOM 0 HA VAL A 37 -2.578 1.699 5.714 1.00 52.23 H new ATOM 0 HB VAL A 37 -2.697 -0.078 8.161 1.00 52.21 H new ATOM 0 HG11 VAL A 37 -5.146 -0.077 7.947 1.00 33.04 H new ATOM 0 HG12 VAL A 37 -4.492 1.535 8.323 1.00 33.04 H new ATOM 0 HG13 VAL A 37 -5.025 1.155 6.668 1.00 33.04 H new ATOM 0 HG21 VAL A 37 -3.915 -1.638 6.567 1.00 32.03 H new ATOM 0 HG22 VAL A 37 -3.652 -0.460 5.260 1.00 32.03 H new ATOM 0 HG23 VAL A 37 -2.263 -1.286 6.005 1.00 32.03 H new ATOM 704 N ASP A 48 3.642 11.201 2.599 1.00 63.21 N ATOM 705 CA ASP A 48 4.421 10.466 3.592 1.00 11.42 C ATOM 706 C ASP A 48 4.274 8.956 3.410 1.00 22.02 C ATOM 707 O ASP A 48 5.182 8.203 3.743 1.00 12.40 O ATOM 708 CB ASP A 48 4.059 10.885 5.014 1.00 22.02 C ATOM 709 CG ASP A 48 2.734 10.301 5.497 1.00 60.13 C ATOM 710 OD1 ASP A 48 1.750 10.287 4.722 1.00 75.42 O ATOM 711 OD2 ASP A 48 2.703 9.897 6.678 1.00 71.33 O ATOM 0 HA ASP A 48 5.469 10.720 3.431 1.00 11.42 H new ATOM 0 HB2 ASP A 48 4.854 10.572 5.691 1.00 22.02 H new ATOM 0 HB3 ASP A 48 4.008 11.973 5.063 1.00 22.02 H new ATOM 716 N VAL A 49 3.175 8.519 2.799 1.00 13.10 N ATOM 717 CA VAL A 49 2.935 7.158 2.352 1.00 20.01 C ATOM 718 C VAL A 49 4.048 6.716 1.407 1.00 23.34 C ATOM 719 O VAL A 49 4.704 5.703 1.664 1.00 34.20 O ATOM 720 CB VAL A 49 1.546 7.118 1.680 1.00 52.34 C ATOM 721 CG1 VAL A 49 1.302 5.809 0.927 1.00 32.03 C ATOM 722 CG2 VAL A 49 0.439 7.311 2.716 1.00 51.44 C ATOM 0 H VAL A 49 2.392 9.139 2.594 1.00 13.10 H new ATOM 0 HA VAL A 49 2.941 6.461 3.190 1.00 20.01 H new ATOM 0 HB VAL A 49 1.527 7.935 0.959 1.00 52.34 H new ATOM 0 HG11 VAL A 49 0.312 5.830 0.472 1.00 32.03 H new ATOM 0 HG12 VAL A 49 2.056 5.691 0.149 1.00 32.03 H new ATOM 0 HG13 VAL A 49 1.364 4.972 1.623 1.00 32.03 H new ATOM 0 HG21 VAL A 49 -0.532 7.279 2.221 1.00 51.44 H new ATOM 0 HG22 VAL A 49 0.494 6.516 3.459 1.00 51.44 H new ATOM 0 HG23 VAL A 49 0.565 8.276 3.207 1.00 51.44 H new ATOM 732 N MET A 50 4.265 7.459 0.316 1.00 43.13 N ATOM 733 CA MET A 50 5.298 7.109 -0.651 1.00 74.31 C ATOM 734 C MET A 50 6.649 7.111 0.059 1.00 41.42 C ATOM 735 O MET A 50 7.444 6.191 -0.107 1.00 61.23 O ATOM 736 CB MET A 50 5.312 8.071 -1.849 1.00 55.52 C ATOM 737 CG MET A 50 3.941 8.379 -2.463 1.00 63.42 C ATOM 738 SD MET A 50 2.785 7.004 -2.732 1.00 20.11 S ATOM 739 CE MET A 50 3.770 5.955 -3.825 1.00 21.22 C ATOM 0 H MET A 50 3.739 8.302 0.086 1.00 43.13 H new ATOM 0 HA MET A 50 5.086 6.117 -1.050 1.00 74.31 H new ATOM 0 HB2 MET A 50 5.769 9.009 -1.534 1.00 55.52 H new ATOM 0 HB3 MET A 50 5.952 7.649 -2.624 1.00 55.52 H new ATOM 0 HG2 MET A 50 3.446 9.108 -1.821 1.00 63.42 H new ATOM 0 HG3 MET A 50 4.109 8.864 -3.425 1.00 63.42 H new ATOM 0 HE1 MET A 50 3.118 5.479 -4.558 1.00 21.22 H new ATOM 0 HE2 MET A 50 4.513 6.563 -4.341 1.00 21.22 H new ATOM 0 HE3 MET A 50 4.274 5.189 -3.236 1.00 21.22 H new ATOM 749 N ARG A 51 6.881 8.110 0.912 1.00 72.04 N ATOM 750 CA ARG A 51 8.098 8.230 1.697 1.00 44.53 C ATOM 751 C ARG A 51 8.334 7.040 2.618 1.00 60.24 C ATOM 752 O ARG A 51 9.497 6.667 2.787 1.00 4.12 O ATOM 753 CB ARG A 51 8.047 9.547 2.489 1.00 43.34 C ATOM 754 CG ARG A 51 8.882 10.629 1.808 1.00 62.30 C ATOM 755 CD ARG A 51 10.354 10.363 2.110 1.00 23.31 C ATOM 756 NE ARG A 51 11.244 11.008 1.147 1.00 2.35 N ATOM 757 CZ ARG A 51 12.563 11.076 1.298 1.00 32.23 C ATOM 758 NH1 ARG A 51 13.129 10.894 2.488 1.00 1.12 N ATOM 759 NH2 ARG A 51 13.322 11.345 0.248 1.00 1.53 N ATOM 0 H ARG A 51 6.216 8.866 1.075 1.00 72.04 H new ATOM 0 HA ARG A 51 8.945 8.239 1.011 1.00 44.53 H new ATOM 0 HB2 ARG A 51 7.014 9.882 2.578 1.00 43.34 H new ATOM 0 HB3 ARG A 51 8.416 9.381 3.501 1.00 43.34 H new ATOM 0 HG2 ARG A 51 8.708 10.621 0.732 1.00 62.30 H new ATOM 0 HG3 ARG A 51 8.593 11.615 2.170 1.00 62.30 H new ATOM 0 HD2 ARG A 51 10.587 10.721 3.113 1.00 23.31 H new ATOM 0 HD3 ARG A 51 10.535 9.288 2.105 1.00 23.31 H new ATOM 0 HE ARG A 51 10.831 11.429 0.314 1.00 2.35 H new ATOM 0 HH11 ARG A 51 12.549 10.698 3.304 1.00 1.12 H new ATOM 0 HH12 ARG A 51 14.143 10.950 2.584 1.00 1.12 H new ATOM 0 HH21 ARG A 51 12.894 11.498 -0.665 1.00 1.53 H new ATOM 0 HH22 ARG A 51 14.335 11.400 0.352 1.00 1.53 H new ATOM 773 N LYS A 52 7.297 6.450 3.224 1.00 52.12 N ATOM 774 CA LYS A 52 7.469 5.269 4.063 1.00 53.53 C ATOM 775 C LYS A 52 8.017 4.156 3.195 1.00 40.44 C ATOM 776 O LYS A 52 9.096 3.651 3.494 1.00 43.21 O ATOM 777 CB LYS A 52 6.193 4.895 4.846 1.00 35.32 C ATOM 778 CG LYS A 52 6.425 3.841 5.963 1.00 12.25 C ATOM 779 CD LYS A 52 6.288 2.375 5.509 1.00 64.20 C ATOM 780 CE LYS A 52 6.126 1.324 6.629 1.00 73.01 C ATOM 781 NZ LYS A 52 7.237 1.314 7.605 1.00 1.44 N ATOM 0 H LYS A 52 6.333 6.774 3.146 1.00 52.12 H new ATOM 0 HA LYS A 52 8.189 5.476 4.855 1.00 53.53 H new ATOM 0 HB2 LYS A 52 5.775 5.797 5.293 1.00 35.32 H new ATOM 0 HB3 LYS A 52 5.449 4.512 4.147 1.00 35.32 H new ATOM 0 HG2 LYS A 52 7.422 3.986 6.378 1.00 12.25 H new ATOM 0 HG3 LYS A 52 5.715 4.025 6.769 1.00 12.25 H new ATOM 0 HD2 LYS A 52 5.427 2.302 4.844 1.00 64.20 H new ATOM 0 HD3 LYS A 52 7.168 2.115 4.921 1.00 64.20 H new ATOM 0 HE2 LYS A 52 5.192 1.512 7.158 1.00 73.01 H new ATOM 0 HE3 LYS A 52 6.043 0.335 6.177 1.00 73.01 H new ATOM 0 HZ1 LYS A 52 7.457 0.333 7.870 1.00 1.44 H new ATOM 0 HZ2 LYS A 52 8.077 1.754 7.179 1.00 1.44 H new ATOM 0 HZ3 LYS A 52 6.959 1.848 8.453 1.00 1.44 H new ATOM 795 N VAL A 53 7.336 3.792 2.105 1.00 74.32 N ATOM 796 CA VAL A 53 7.746 2.639 1.325 1.00 21.01 C ATOM 797 C VAL A 53 9.093 2.899 0.648 1.00 12.55 C ATOM 798 O VAL A 53 9.870 1.960 0.470 1.00 64.42 O ATOM 799 CB VAL A 53 6.653 2.209 0.321 1.00 13.32 C ATOM 800 CG1 VAL A 53 5.421 1.631 1.036 1.00 64.30 C ATOM 801 CG2 VAL A 53 6.200 3.322 -0.634 1.00 34.45 C ATOM 0 H VAL A 53 6.510 4.276 1.752 1.00 74.32 H new ATOM 0 HA VAL A 53 7.880 1.798 2.005 1.00 21.01 H new ATOM 0 HB VAL A 53 7.131 1.439 -0.284 1.00 13.32 H new ATOM 0 HG11 VAL A 53 4.675 1.340 0.297 1.00 64.30 H new ATOM 0 HG12 VAL A 53 5.715 0.758 1.618 1.00 64.30 H new ATOM 0 HG13 VAL A 53 4.999 2.385 1.701 1.00 64.30 H new ATOM 0 HG21 VAL A 53 5.432 2.936 -1.304 1.00 34.45 H new ATOM 0 HG22 VAL A 53 5.794 4.153 -0.057 1.00 34.45 H new ATOM 0 HG23 VAL A 53 7.052 3.668 -1.219 1.00 34.45 H new ATOM 811 N LEU A 54 9.393 4.137 0.249 1.00 62.42 N ATOM 812 CA LEU A 54 10.604 4.436 -0.506 1.00 74.31 C ATOM 813 C LEU A 54 11.841 4.496 0.381 1.00 21.32 C ATOM 814 O LEU A 54 12.936 4.229 -0.118 1.00 52.43 O ATOM 815 CB LEU A 54 10.423 5.744 -1.295 1.00 15.53 C ATOM 816 CG LEU A 54 9.644 5.517 -2.604 1.00 2.22 C ATOM 817 CD1 LEU A 54 9.073 6.831 -3.137 1.00 3.11 C ATOM 818 CD2 LEU A 54 10.540 4.896 -3.683 1.00 50.43 C ATOM 0 H LEU A 54 8.808 4.950 0.439 1.00 62.42 H new ATOM 0 HA LEU A 54 10.767 3.618 -1.208 1.00 74.31 H new ATOM 0 HB2 LEU A 54 9.894 6.471 -0.678 1.00 15.53 H new ATOM 0 HB3 LEU A 54 11.400 6.170 -1.522 1.00 15.53 H new ATOM 0 HG LEU A 54 8.828 4.832 -2.374 1.00 2.22 H new ATOM 0 HD11 LEU A 54 8.528 6.642 -4.062 1.00 3.11 H new ATOM 0 HD12 LEU A 54 8.396 7.260 -2.398 1.00 3.11 H new ATOM 0 HD13 LEU A 54 9.887 7.529 -3.332 1.00 3.11 H new ATOM 0 HD21 LEU A 54 9.962 4.748 -4.595 1.00 50.43 H new ATOM 0 HD22 LEU A 54 11.377 5.563 -3.889 1.00 50.43 H new ATOM 0 HD23 LEU A 54 10.918 3.935 -3.333 1.00 50.43 H new ATOM 830 N GLY A 55 11.676 4.778 1.675 1.00 33.34 N ATOM 831 CA GLY A 55 12.711 4.543 2.665 1.00 60.30 C ATOM 832 C GLY A 55 12.812 3.041 2.917 1.00 71.11 C ATOM 833 O GLY A 55 13.859 2.436 2.688 1.00 54.34 O ATOM 0 H GLY A 55 10.819 5.175 2.059 1.00 33.34 H new ATOM 0 HA2 GLY A 55 13.666 4.933 2.313 1.00 60.30 H new ATOM 0 HA3 GLY A 55 12.475 5.067 3.591 1.00 60.30 H new ATOM 837 N ASP A 56 11.704 2.421 3.339 1.00 13.31 N ATOM 838 CA ASP A 56 11.671 1.054 3.863 1.00 2.54 C ATOM 839 C ASP A 56 12.120 0.003 2.853 1.00 32.21 C ATOM 840 O ASP A 56 12.483 -1.103 3.260 1.00 11.55 O ATOM 841 CB ASP A 56 10.251 0.672 4.310 1.00 12.13 C ATOM 842 CG ASP A 56 10.037 0.804 5.808 1.00 15.33 C ATOM 843 OD1 ASP A 56 10.275 -0.201 6.512 1.00 21.42 O ATOM 844 OD2 ASP A 56 9.560 1.866 6.260 1.00 40.41 O ATOM 0 H ASP A 56 10.787 2.867 3.325 1.00 13.31 H new ATOM 0 HA ASP A 56 12.368 1.059 4.701 1.00 2.54 H new ATOM 0 HB2 ASP A 56 9.531 1.304 3.790 1.00 12.13 H new ATOM 0 HB3 ASP A 56 10.047 -0.356 4.010 1.00 12.13 H new ATOM 849 N LEU A 57 12.017 0.280 1.546 1.00 64.43 N ATOM 850 CA LEU A 57 12.458 -0.647 0.514 1.00 35.44 C ATOM 851 C LEU A 57 13.969 -0.785 0.473 1.00 13.44 C ATOM 852 O LEU A 57 14.443 -1.778 -0.065 1.00 11.45 O ATOM 853 CB LEU A 57 11.964 -0.191 -0.868 1.00 22.23 C ATOM 854 CG LEU A 57 10.703 -0.904 -1.389 1.00 74.03 C ATOM 855 CD1 LEU A 57 10.667 -0.659 -2.896 1.00 63.40 C ATOM 856 CD2 LEU A 57 10.637 -2.420 -1.153 1.00 41.42 C ATOM 0 H LEU A 57 11.627 1.150 1.184 1.00 64.43 H new ATOM 0 HA LEU A 57 12.030 -1.618 0.764 1.00 35.44 H new ATOM 0 HB2 LEU A 57 11.765 0.880 -0.828 1.00 22.23 H new ATOM 0 HB3 LEU A 57 12.768 -0.339 -1.589 1.00 22.23 H new ATOM 0 HG LEU A 57 9.858 -0.496 -0.834 1.00 74.03 H new ATOM 0 HD11 LEU A 57 9.789 -1.144 -3.323 1.00 63.40 H new ATOM 0 HD12 LEU A 57 10.619 0.413 -3.089 1.00 63.40 H new ATOM 0 HD13 LEU A 57 11.567 -1.070 -3.353 1.00 63.40 H new ATOM 0 HD21 LEU A 57 9.706 -2.812 -1.562 1.00 41.42 H new ATOM 0 HD22 LEU A 57 11.481 -2.902 -1.646 1.00 41.42 H new ATOM 0 HD23 LEU A 57 10.678 -2.624 -0.083 1.00 41.42 H new ATOM 868 N ASP A 58 14.719 0.171 1.020 1.00 54.53 N ATOM 869 CA ASP A 58 16.174 0.126 1.088 1.00 32.04 C ATOM 870 C ASP A 58 16.756 -0.114 -0.309 1.00 62.01 C ATOM 871 O ASP A 58 17.524 -1.044 -0.549 1.00 21.32 O ATOM 872 CB ASP A 58 16.605 -0.905 2.139 1.00 52.42 C ATOM 873 CG ASP A 58 18.111 -0.867 2.387 1.00 62.30 C ATOM 874 OD1 ASP A 58 18.623 0.146 2.921 1.00 33.41 O ATOM 875 OD2 ASP A 58 18.784 -1.881 2.090 1.00 62.12 O ATOM 0 H ASP A 58 14.322 1.014 1.436 1.00 54.53 H new ATOM 0 HA ASP A 58 16.579 1.083 1.416 1.00 32.04 H new ATOM 0 HB2 ASP A 58 16.078 -0.713 3.074 1.00 52.42 H new ATOM 0 HB3 ASP A 58 16.316 -1.903 1.809 1.00 52.42 H new ATOM 880 N GLY A 59 16.329 0.721 -1.262 1.00 52.50 N ATOM 881 CA GLY A 59 16.849 0.756 -2.624 1.00 52.41 C ATOM 882 C GLY A 59 16.402 -0.397 -3.525 1.00 11.25 C ATOM 883 O GLY A 59 16.987 -0.565 -4.598 1.00 34.12 O ATOM 0 H GLY A 59 15.593 1.408 -1.098 1.00 52.50 H new ATOM 0 HA2 GLY A 59 16.546 1.695 -3.087 1.00 52.41 H new ATOM 0 HA3 GLY A 59 17.938 0.759 -2.579 1.00 52.41 H new ATOM 887 N LYS A 60 15.433 -1.224 -3.112 1.00 10.42 N ATOM 888 CA LYS A 60 15.211 -2.511 -3.759 1.00 23.32 C ATOM 889 C LYS A 60 14.548 -2.430 -5.142 1.00 23.14 C ATOM 890 O LYS A 60 14.622 -3.407 -5.898 1.00 5.12 O ATOM 891 CB LYS A 60 14.382 -3.377 -2.826 1.00 73.34 C ATOM 892 CG LYS A 60 15.239 -4.278 -1.921 1.00 73.24 C ATOM 893 CD LYS A 60 14.406 -5.455 -1.410 1.00 51.44 C ATOM 894 CE LYS A 60 15.225 -6.437 -0.566 1.00 11.31 C ATOM 895 NZ LYS A 60 15.729 -5.822 0.679 1.00 75.10 N ATOM 0 H LYS A 60 14.799 -1.022 -2.339 1.00 10.42 H new ATOM 0 HA LYS A 60 16.193 -2.946 -3.947 1.00 23.32 H new ATOM 0 HB2 LYS A 60 13.757 -2.736 -2.204 1.00 73.34 H new ATOM 0 HB3 LYS A 60 13.711 -3.999 -3.418 1.00 73.34 H new ATOM 0 HG2 LYS A 60 16.102 -4.647 -2.475 1.00 73.24 H new ATOM 0 HG3 LYS A 60 15.623 -3.701 -1.079 1.00 73.24 H new ATOM 0 HD2 LYS A 60 13.575 -5.076 -0.815 1.00 51.44 H new ATOM 0 HD3 LYS A 60 13.974 -5.985 -2.259 1.00 51.44 H new ATOM 0 HE2 LYS A 60 14.609 -7.301 -0.318 1.00 11.31 H new ATOM 0 HE3 LYS A 60 16.066 -6.804 -1.154 1.00 11.31 H new ATOM 0 HZ1 LYS A 60 16.233 -6.538 1.240 1.00 75.10 H new ATOM 0 HZ2 LYS A 60 16.379 -5.045 0.444 1.00 75.10 H new ATOM 0 HZ3 LYS A 60 14.930 -5.450 1.231 1.00 75.10 H new ATOM 909 N ARG A 61 13.832 -1.347 -5.461 1.00 11.44 N ATOM 910 CA ARG A 61 13.039 -1.212 -6.694 1.00 30.44 C ATOM 911 C ARG A 61 13.047 0.243 -7.140 1.00 5.52 C ATOM 912 O ARG A 61 12.974 1.111 -6.269 1.00 54.22 O ATOM 913 CB ARG A 61 11.565 -1.604 -6.464 1.00 11.23 C ATOM 914 CG ARG A 61 11.270 -3.105 -6.361 1.00 25.21 C ATOM 915 CD ARG A 61 11.311 -3.762 -7.739 1.00 22.01 C ATOM 916 NE ARG A 61 10.693 -5.098 -7.743 1.00 50.10 N ATOM 917 CZ ARG A 61 10.673 -5.913 -8.805 1.00 61.02 C ATOM 918 NH1 ARG A 61 11.091 -5.481 -9.993 1.00 21.44 N ATOM 919 NH2 ARG A 61 10.241 -7.162 -8.675 1.00 2.31 N ATOM 0 H ARG A 61 13.784 -0.523 -4.861 1.00 11.44 H new ATOM 0 HA ARG A 61 13.483 -1.870 -7.441 1.00 30.44 H new ATOM 0 HB2 ARG A 61 11.222 -1.124 -5.547 1.00 11.23 H new ATOM 0 HB3 ARG A 61 10.970 -1.194 -7.280 1.00 11.23 H new ATOM 0 HG2 ARG A 61 12.000 -3.579 -5.705 1.00 25.21 H new ATOM 0 HG3 ARG A 61 10.290 -3.257 -5.910 1.00 25.21 H new ATOM 0 HD2 ARG A 61 10.796 -3.125 -8.458 1.00 22.01 H new ATOM 0 HD3 ARG A 61 12.347 -3.843 -8.069 1.00 22.01 H new ATOM 0 HE ARG A 61 10.252 -5.423 -6.883 1.00 50.10 H new ATOM 0 HH11 ARG A 61 11.429 -4.524 -10.098 1.00 21.44 H new ATOM 0 HH12 ARG A 61 11.073 -6.107 -10.798 1.00 21.44 H new ATOM 0 HH21 ARG A 61 9.925 -7.500 -7.766 1.00 2.31 H new ATOM 0 HH22 ARG A 61 10.226 -7.783 -9.484 1.00 2.31 H new ATOM 933 N PRO A 62 13.018 0.532 -8.453 1.00 25.35 N ATOM 934 CA PRO A 62 12.917 1.899 -8.928 1.00 43.24 C ATOM 935 C PRO A 62 11.634 2.524 -8.418 1.00 12.42 C ATOM 936 O PRO A 62 10.587 1.871 -8.395 1.00 52.54 O ATOM 937 CB PRO A 62 12.900 1.847 -10.455 1.00 32.13 C ATOM 938 CG PRO A 62 12.548 0.400 -10.783 1.00 21.03 C ATOM 939 CD PRO A 62 12.991 -0.403 -9.564 1.00 42.40 C ATOM 0 HA PRO A 62 13.755 2.498 -8.571 1.00 43.24 H new ATOM 0 HB2 PRO A 62 12.165 2.538 -10.868 1.00 32.13 H new ATOM 0 HB3 PRO A 62 13.868 2.125 -10.873 1.00 32.13 H new ATOM 0 HG2 PRO A 62 11.479 0.285 -10.963 1.00 21.03 H new ATOM 0 HG3 PRO A 62 13.061 0.064 -11.684 1.00 21.03 H new ATOM 0 HD2 PRO A 62 12.301 -1.223 -9.366 1.00 42.40 H new ATOM 0 HD3 PRO A 62 13.974 -0.845 -9.725 1.00 42.40 H new ATOM 947 N GLU A 63 11.706 3.816 -8.109 1.00 24.11 N ATOM 948 CA GLU A 63 10.590 4.633 -7.676 1.00 34.34 C ATOM 949 C GLU A 63 9.418 4.487 -8.647 1.00 32.34 C ATOM 950 O GLU A 63 8.283 4.314 -8.209 1.00 22.32 O ATOM 951 CB GLU A 63 11.063 6.088 -7.582 1.00 62.12 C ATOM 952 CG GLU A 63 10.044 6.984 -6.877 1.00 74.11 C ATOM 953 CD GLU A 63 10.278 8.471 -7.127 1.00 52.50 C ATOM 954 OE1 GLU A 63 11.407 8.902 -7.447 1.00 52.53 O ATOM 955 OE2 GLU A 63 9.294 9.229 -7.004 1.00 33.25 O ATOM 0 H GLU A 63 12.581 4.338 -8.157 1.00 24.11 H new ATOM 0 HA GLU A 63 10.240 4.307 -6.697 1.00 34.34 H new ATOM 0 HB2 GLU A 63 12.010 6.126 -7.044 1.00 62.12 H new ATOM 0 HB3 GLU A 63 11.250 6.473 -8.585 1.00 62.12 H new ATOM 0 HG2 GLU A 63 9.042 6.719 -7.214 1.00 74.11 H new ATOM 0 HG3 GLU A 63 10.081 6.792 -5.805 1.00 74.11 H new ATOM 962 N ALA A 64 9.689 4.501 -9.956 1.00 13.21 N ATOM 963 CA ALA A 64 8.673 4.361 -10.988 1.00 44.32 C ATOM 964 C ALA A 64 7.816 3.109 -10.769 1.00 21.05 C ATOM 965 O ALA A 64 6.588 3.198 -10.873 1.00 41.22 O ATOM 966 CB ALA A 64 9.341 4.342 -12.366 1.00 4.24 C ATOM 0 H ALA A 64 10.633 4.611 -10.326 1.00 13.21 H new ATOM 0 HA ALA A 64 8.001 5.217 -10.932 1.00 44.32 H new ATOM 0 HB1 ALA A 64 8.579 4.237 -13.138 1.00 4.24 H new ATOM 0 HB2 ALA A 64 9.887 5.273 -12.519 1.00 4.24 H new ATOM 0 HB3 ALA A 64 10.033 3.502 -12.423 1.00 4.24 H new ATOM 972 N GLU A 65 8.426 1.962 -10.438 1.00 72.32 N ATOM 973 CA GLU A 65 7.677 0.729 -10.213 1.00 3.14 C ATOM 974 C GLU A 65 6.737 0.883 -9.013 1.00 72.22 C ATOM 975 O GLU A 65 5.588 0.437 -9.085 1.00 41.32 O ATOM 976 CB GLU A 65 8.638 -0.472 -10.084 1.00 14.31 C ATOM 977 CG GLU A 65 7.886 -1.805 -10.238 1.00 12.25 C ATOM 978 CD GLU A 65 8.775 -3.063 -10.310 1.00 73.33 C ATOM 979 OE1 GLU A 65 9.984 -2.964 -10.636 1.00 41.12 O ATOM 980 OE2 GLU A 65 8.256 -4.179 -10.079 1.00 62.31 O ATOM 0 H GLU A 65 9.435 1.868 -10.322 1.00 72.32 H new ATOM 0 HA GLU A 65 7.044 0.527 -11.077 1.00 3.14 H new ATOM 0 HB2 GLU A 65 9.417 -0.401 -10.843 1.00 14.31 H new ATOM 0 HB3 GLU A 65 9.134 -0.441 -9.114 1.00 14.31 H new ATOM 0 HG2 GLU A 65 7.199 -1.914 -9.399 1.00 12.25 H new ATOM 0 HG3 GLU A 65 7.279 -1.758 -11.142 1.00 12.25 H new ATOM 987 N VAL A 66 7.189 1.565 -7.954 1.00 73.04 N ATOM 988 CA VAL A 66 6.404 1.902 -6.766 1.00 71.31 C ATOM 989 C VAL A 66 5.188 2.747 -7.170 1.00 45.24 C ATOM 990 O VAL A 66 4.072 2.458 -6.733 1.00 4.43 O ATOM 991 CB VAL A 66 7.279 2.636 -5.714 1.00 54.30 C ATOM 992 CG1 VAL A 66 6.577 2.756 -4.357 1.00 43.43 C ATOM 993 CG2 VAL A 66 8.648 1.969 -5.497 1.00 71.31 C ATOM 0 H VAL A 66 8.148 1.909 -7.901 1.00 73.04 H new ATOM 0 HA VAL A 66 6.047 0.981 -6.304 1.00 71.31 H new ATOM 0 HB VAL A 66 7.437 3.630 -6.133 1.00 54.30 H new ATOM 0 HG11 VAL A 66 7.229 3.276 -3.655 1.00 43.43 H new ATOM 0 HG12 VAL A 66 5.650 3.317 -4.475 1.00 43.43 H new ATOM 0 HG13 VAL A 66 6.353 1.760 -3.974 1.00 43.43 H new ATOM 0 HG21 VAL A 66 9.211 2.529 -4.751 1.00 71.31 H new ATOM 0 HG22 VAL A 66 8.503 0.946 -5.150 1.00 71.31 H new ATOM 0 HG23 VAL A 66 9.201 1.959 -6.436 1.00 71.31 H new ATOM 1003 N ARG A 67 5.377 3.775 -8.013 1.00 63.12 N ATOM 1004 CA ARG A 67 4.291 4.673 -8.411 1.00 72.32 C ATOM 1005 C ARG A 67 3.184 3.894 -9.078 1.00 73.14 C ATOM 1006 O ARG A 67 2.053 3.951 -8.612 1.00 4.22 O ATOM 1007 CB ARG A 67 4.734 5.766 -9.389 1.00 73.45 C ATOM 1008 CG ARG A 67 5.989 6.525 -9.012 1.00 13.40 C ATOM 1009 CD ARG A 67 5.980 7.060 -7.574 1.00 63.02 C ATOM 1010 NE ARG A 67 6.699 8.333 -7.496 1.00 33.21 N ATOM 1011 CZ ARG A 67 6.258 9.494 -7.978 1.00 62.11 C ATOM 1012 NH1 ARG A 67 4.987 9.646 -8.334 1.00 13.21 N ATOM 1013 NH2 ARG A 67 7.118 10.485 -8.132 1.00 11.13 N ATOM 0 H ARG A 67 6.279 4.002 -8.432 1.00 63.12 H new ATOM 0 HA ARG A 67 3.952 5.147 -7.490 1.00 72.32 H new ATOM 0 HB2 ARG A 67 4.889 5.310 -10.367 1.00 73.45 H new ATOM 0 HB3 ARG A 67 3.919 6.482 -9.497 1.00 73.45 H new ATOM 0 HG2 ARG A 67 6.851 5.870 -9.141 1.00 13.40 H new ATOM 0 HG3 ARG A 67 6.118 7.361 -9.700 1.00 13.40 H new ATOM 0 HD2 ARG A 67 4.952 7.195 -7.236 1.00 63.02 H new ATOM 0 HD3 ARG A 67 6.442 6.333 -6.906 1.00 63.02 H new ATOM 0 HE ARG A 67 7.610 8.331 -7.036 1.00 33.21 H new ATOM 0 HH11 ARG A 67 4.334 8.868 -8.240 1.00 13.21 H new ATOM 0 HH12 ARG A 67 4.664 10.541 -8.701 1.00 13.21 H new ATOM 0 HH21 ARG A 67 8.098 10.353 -7.883 1.00 11.13 H new ATOM 0 HH22 ARG A 67 6.802 11.382 -8.499 1.00 11.13 H new ATOM 1027 N ALA A 68 3.526 3.205 -10.169 1.00 32.31 N ATOM 1028 CA ALA A 68 2.569 2.444 -10.969 1.00 31.10 C ATOM 1029 C ALA A 68 1.721 1.531 -10.080 1.00 71.04 C ATOM 1030 O ALA A 68 0.500 1.516 -10.213 1.00 13.34 O ATOM 1031 CB ALA A 68 3.287 1.642 -12.058 1.00 4.10 C ATOM 0 H ALA A 68 4.482 3.160 -10.523 1.00 32.31 H new ATOM 0 HA ALA A 68 1.898 3.149 -11.460 1.00 31.10 H new ATOM 0 HB1 ALA A 68 2.555 1.083 -12.641 1.00 4.10 H new ATOM 0 HB2 ALA A 68 3.829 2.323 -12.714 1.00 4.10 H new ATOM 0 HB3 ALA A 68 3.989 0.948 -11.596 1.00 4.10 H new ATOM 1037 N LYS A 69 2.363 0.810 -9.152 1.00 65.25 N ATOM 1038 CA LYS A 69 1.731 0.004 -8.129 1.00 44.43 C ATOM 1039 C LYS A 69 0.642 0.798 -7.405 1.00 25.02 C ATOM 1040 O LYS A 69 -0.532 0.434 -7.464 1.00 41.33 O ATOM 1041 CB LYS A 69 2.859 -0.469 -7.190 1.00 74.34 C ATOM 1042 CG LYS A 69 2.802 -1.949 -6.853 1.00 14.31 C ATOM 1043 CD LYS A 69 3.020 -2.881 -8.042 1.00 62.05 C ATOM 1044 CE LYS A 69 4.340 -2.776 -8.814 1.00 54.33 C ATOM 1045 NZ LYS A 69 4.259 -1.867 -9.980 1.00 62.33 N ATOM 0 H LYS A 69 3.381 0.779 -9.101 1.00 65.25 H new ATOM 0 HA LYS A 69 1.218 -0.860 -8.551 1.00 44.43 H new ATOM 0 HB2 LYS A 69 3.820 -0.249 -7.654 1.00 74.34 H new ATOM 0 HB3 LYS A 69 2.813 0.106 -6.265 1.00 74.34 H new ATOM 0 HG2 LYS A 69 3.556 -2.165 -6.096 1.00 14.31 H new ATOM 0 HG3 LYS A 69 1.832 -2.170 -6.408 1.00 14.31 H new ATOM 0 HD2 LYS A 69 2.925 -3.906 -7.683 1.00 62.05 H new ATOM 0 HD3 LYS A 69 2.207 -2.714 -8.749 1.00 62.05 H new ATOM 0 HE2 LYS A 69 5.121 -2.424 -8.140 1.00 54.33 H new ATOM 0 HE3 LYS A 69 4.635 -3.769 -9.154 1.00 54.33 H new ATOM 0 HZ1 LYS A 69 4.620 -2.353 -10.825 1.00 62.33 H new ATOM 0 HZ2 LYS A 69 3.269 -1.591 -10.136 1.00 62.33 H new ATOM 0 HZ3 LYS A 69 4.831 -1.018 -9.798 1.00 62.33 H new ATOM 1059 N TYR A 70 1.027 1.879 -6.726 1.00 25.11 N ATOM 1060 CA TYR A 70 0.133 2.632 -5.862 1.00 14.32 C ATOM 1061 C TYR A 70 -0.996 3.273 -6.680 1.00 62.34 C ATOM 1062 O TYR A 70 -2.168 3.160 -6.323 1.00 73.42 O ATOM 1063 CB TYR A 70 0.952 3.680 -5.100 1.00 21.12 C ATOM 1064 CG TYR A 70 0.198 4.394 -4.001 1.00 72.41 C ATOM 1065 CD1 TYR A 70 -0.120 3.746 -2.782 1.00 10.20 C ATOM 1066 CD2 TYR A 70 -0.182 5.732 -4.214 1.00 5.30 C ATOM 1067 CE1 TYR A 70 -0.845 4.456 -1.806 1.00 22.10 C ATOM 1068 CE2 TYR A 70 -0.862 6.448 -3.220 1.00 22.33 C ATOM 1069 CZ TYR A 70 -1.207 5.810 -2.011 1.00 33.41 C ATOM 1070 OH TYR A 70 -1.915 6.492 -1.069 1.00 60.45 O ATOM 0 H TYR A 70 1.975 2.255 -6.764 1.00 25.11 H new ATOM 0 HA TYR A 70 -0.340 1.965 -5.141 1.00 14.32 H new ATOM 0 HB2 TYR A 70 1.825 3.193 -4.666 1.00 21.12 H new ATOM 0 HB3 TYR A 70 1.320 4.421 -5.810 1.00 21.12 H new ATOM 0 HD1 TYR A 70 0.188 2.726 -2.605 1.00 10.20 H new ATOM 0 HD2 TYR A 70 0.053 6.212 -5.153 1.00 5.30 H new ATOM 0 HE1 TYR A 70 -1.129 3.962 -0.889 1.00 22.10 H new ATOM 0 HE2 TYR A 70 -1.121 7.484 -3.379 1.00 22.33 H new ATOM 0 HH TYR A 70 -2.224 5.870 -0.378 1.00 60.45 H new ATOM 1080 N GLU A 71 -0.654 3.905 -7.800 1.00 45.54 N ATOM 1081 CA GLU A 71 -1.580 4.567 -8.707 1.00 64.34 C ATOM 1082 C GLU A 71 -2.642 3.581 -9.207 1.00 54.55 C ATOM 1083 O GLU A 71 -3.843 3.865 -9.131 1.00 44.45 O ATOM 1084 CB GLU A 71 -0.783 5.160 -9.883 1.00 61.11 C ATOM 1085 CG GLU A 71 -0.067 6.486 -9.553 1.00 32.11 C ATOM 1086 CD GLU A 71 -1.004 7.690 -9.376 1.00 4.30 C ATOM 1087 OE1 GLU A 71 -2.171 7.633 -9.837 1.00 42.33 O ATOM 1088 OE2 GLU A 71 -0.561 8.716 -8.799 1.00 31.32 O ATOM 0 H GLU A 71 0.315 3.971 -8.110 1.00 45.54 H new ATOM 0 HA GLU A 71 -2.099 5.369 -8.182 1.00 64.34 H new ATOM 0 HB2 GLU A 71 -0.042 4.431 -10.210 1.00 61.11 H new ATOM 0 HB3 GLU A 71 -1.460 5.324 -10.721 1.00 61.11 H new ATOM 0 HG2 GLU A 71 0.511 6.354 -8.638 1.00 32.11 H new ATOM 0 HG3 GLU A 71 0.643 6.709 -10.349 1.00 32.11 H new ATOM 1095 N GLY A 72 -2.224 2.419 -9.715 1.00 12.44 N ATOM 1096 CA GLY A 72 -3.125 1.420 -10.274 1.00 5.43 C ATOM 1097 C GLY A 72 -4.042 0.819 -9.211 1.00 21.01 C ATOM 1098 O GLY A 72 -5.162 0.394 -9.525 1.00 10.42 O ATOM 0 H GLY A 72 -1.241 2.147 -9.748 1.00 12.44 H new ATOM 0 HA2 GLY A 72 -3.729 1.875 -11.059 1.00 5.43 H new ATOM 0 HA3 GLY A 72 -2.542 0.626 -10.741 1.00 5.43 H new ATOM 1102 N LEU A 73 -3.602 0.801 -7.949 1.00 42.44 N ATOM 1103 CA LEU A 73 -4.265 0.075 -6.877 1.00 62.13 C ATOM 1104 C LEU A 73 -5.631 0.606 -6.501 1.00 21.04 C ATOM 1105 O LEU A 73 -6.366 -0.133 -5.854 1.00 51.53 O ATOM 1106 CB LEU A 73 -3.404 0.057 -5.607 1.00 34.32 C ATOM 1107 CG LEU A 73 -3.056 -1.343 -5.073 1.00 52.45 C ATOM 1108 CD1 LEU A 73 -2.417 -2.272 -6.118 1.00 21.24 C ATOM 1109 CD2 LEU A 73 -2.034 -1.120 -3.954 1.00 13.22 C ATOM 0 H LEU A 73 -2.765 1.298 -7.646 1.00 42.44 H new ATOM 0 HA LEU A 73 -4.401 -0.927 -7.283 1.00 62.13 H new ATOM 0 HB2 LEU A 73 -2.476 0.593 -5.808 1.00 34.32 H new ATOM 0 HB3 LEU A 73 -3.927 0.607 -4.825 1.00 34.32 H new ATOM 0 HG LEU A 73 -3.978 -1.829 -4.754 1.00 52.45 H new ATOM 0 HD11 LEU A 73 -2.202 -3.239 -5.662 1.00 21.24 H new ATOM 0 HD12 LEU A 73 -3.105 -2.409 -6.952 1.00 21.24 H new ATOM 0 HD13 LEU A 73 -1.490 -1.828 -6.481 1.00 21.24 H new ATOM 0 HD21 LEU A 73 -1.744 -2.081 -3.530 1.00 13.22 H new ATOM 0 HD22 LEU A 73 -1.154 -0.621 -4.359 1.00 13.22 H new ATOM 0 HD23 LEU A 73 -2.477 -0.499 -3.175 1.00 13.22 H new ATOM 1121 N MET A 74 -6.002 1.835 -6.865 1.00 25.24 N ATOM 1122 CA MET A 74 -7.315 2.370 -6.508 1.00 2.42 C ATOM 1123 C MET A 74 -8.427 1.423 -6.988 1.00 23.31 C ATOM 1124 O MET A 74 -9.314 1.060 -6.207 1.00 3.52 O ATOM 1125 CB MET A 74 -7.445 3.803 -7.038 1.00 64.15 C ATOM 1126 CG MET A 74 -8.758 4.466 -6.606 1.00 3.43 C ATOM 1127 SD MET A 74 -8.776 6.264 -6.857 1.00 71.31 S ATOM 1128 CE MET A 74 -8.947 6.839 -5.148 1.00 14.12 C ATOM 0 H MET A 74 -5.416 2.474 -7.403 1.00 25.24 H new ATOM 0 HA MET A 74 -7.423 2.427 -5.425 1.00 2.42 H new ATOM 0 HB2 MET A 74 -6.605 4.398 -6.680 1.00 64.15 H new ATOM 0 HB3 MET A 74 -7.387 3.792 -8.126 1.00 64.15 H new ATOM 0 HG2 MET A 74 -9.582 4.021 -7.164 1.00 3.43 H new ATOM 0 HG3 MET A 74 -8.935 4.252 -5.552 1.00 3.43 H new ATOM 0 HE1 MET A 74 -8.973 7.929 -5.132 1.00 14.12 H new ATOM 0 HE2 MET A 74 -9.871 6.447 -4.723 1.00 14.12 H new ATOM 0 HE3 MET A 74 -8.099 6.488 -4.559 1.00 14.12 H new ATOM 1138 N ALA A 75 -8.326 0.940 -8.233 1.00 12.11 N ATOM 1139 CA ALA A 75 -9.289 -0.007 -8.778 1.00 41.33 C ATOM 1140 C ALA A 75 -9.100 -1.412 -8.192 1.00 43.34 C ATOM 1141 O ALA A 75 -10.097 -2.058 -7.878 1.00 30.22 O ATOM 1142 CB ALA A 75 -9.195 -0.042 -10.303 1.00 64.35 C ATOM 0 H ALA A 75 -7.580 1.196 -8.880 1.00 12.11 H new ATOM 0 HA ALA A 75 -10.285 0.333 -8.494 1.00 41.33 H new ATOM 0 HB1 ALA A 75 -9.921 -0.754 -10.696 1.00 64.35 H new ATOM 0 HB2 ALA A 75 -9.406 0.950 -10.703 1.00 64.35 H new ATOM 0 HB3 ALA A 75 -8.191 -0.346 -10.599 1.00 64.35 H new ATOM 1148 N VAL A 76 -7.857 -1.885 -8.034 1.00 64.44 N ATOM 1149 CA VAL A 76 -7.555 -3.228 -7.517 1.00 11.11 C ATOM 1150 C VAL A 76 -8.125 -3.371 -6.105 1.00 14.12 C ATOM 1151 O VAL A 76 -8.849 -4.317 -5.800 1.00 45.35 O ATOM 1152 CB VAL A 76 -6.030 -3.501 -7.530 1.00 23.41 C ATOM 1153 CG1 VAL A 76 -5.672 -4.934 -7.085 1.00 71.14 C ATOM 1154 CG2 VAL A 76 -5.401 -3.244 -8.913 1.00 31.04 C ATOM 0 H VAL A 76 -7.025 -1.342 -8.263 1.00 64.44 H new ATOM 0 HA VAL A 76 -8.023 -3.969 -8.165 1.00 11.11 H new ATOM 0 HB VAL A 76 -5.617 -2.797 -6.808 1.00 23.41 H new ATOM 0 HG11 VAL A 76 -4.590 -5.065 -7.115 1.00 71.14 H new ATOM 0 HG12 VAL A 76 -6.030 -5.099 -6.069 1.00 71.14 H new ATOM 0 HG13 VAL A 76 -6.143 -5.652 -7.757 1.00 71.14 H new ATOM 0 HG21 VAL A 76 -4.331 -3.449 -8.870 1.00 31.04 H new ATOM 0 HG22 VAL A 76 -5.867 -3.897 -9.651 1.00 31.04 H new ATOM 0 HG23 VAL A 76 -5.560 -2.204 -9.197 1.00 31.04 H new ATOM 1164 N ALA A 77 -7.833 -2.397 -5.243 1.00 13.31 N ATOM 1165 CA ALA A 77 -8.253 -2.361 -3.857 1.00 22.24 C ATOM 1166 C ALA A 77 -9.772 -2.487 -3.765 1.00 61.21 C ATOM 1167 O ALA A 77 -10.299 -3.288 -2.992 1.00 33.01 O ATOM 1168 CB ALA A 77 -7.770 -1.053 -3.232 1.00 1.42 C ATOM 0 H ALA A 77 -7.276 -1.585 -5.509 1.00 13.31 H new ATOM 0 HA ALA A 77 -7.818 -3.199 -3.312 1.00 22.24 H new ATOM 0 HB1 ALA A 77 -8.080 -1.013 -2.188 1.00 1.42 H new ATOM 0 HB2 ALA A 77 -6.683 -1.002 -3.290 1.00 1.42 H new ATOM 0 HB3 ALA A 77 -8.203 -0.210 -3.771 1.00 1.42 H new ATOM 1174 N LYS A 78 -10.470 -1.705 -4.596 1.00 3.52 N ATOM 1175 CA LYS A 78 -11.917 -1.748 -4.687 1.00 12.42 C ATOM 1176 C LYS A 78 -12.380 -3.121 -5.126 1.00 62.22 C ATOM 1177 O LYS A 78 -13.307 -3.638 -4.504 1.00 64.11 O ATOM 1178 CB LYS A 78 -12.419 -0.700 -5.687 1.00 64.03 C ATOM 1179 CG LYS A 78 -12.801 0.634 -5.036 1.00 71.15 C ATOM 1180 CD LYS A 78 -13.661 1.454 -6.007 1.00 74.14 C ATOM 1181 CE LYS A 78 -15.037 0.818 -6.289 1.00 54.54 C ATOM 1182 NZ LYS A 78 -15.910 0.793 -5.101 1.00 14.54 N ATOM 0 H LYS A 78 -10.038 -1.026 -5.222 1.00 3.52 H new ATOM 0 HA LYS A 78 -12.326 -1.531 -3.700 1.00 12.42 H new ATOM 0 HB2 LYS A 78 -11.645 -0.522 -6.434 1.00 64.03 H new ATOM 0 HB3 LYS A 78 -13.285 -1.099 -6.215 1.00 64.03 H new ATOM 0 HG2 LYS A 78 -13.349 0.455 -4.111 1.00 71.15 H new ATOM 0 HG3 LYS A 78 -11.902 1.191 -4.771 1.00 71.15 H new ATOM 0 HD2 LYS A 78 -13.807 2.453 -5.597 1.00 74.14 H new ATOM 0 HD3 LYS A 78 -13.123 1.571 -6.948 1.00 74.14 H new ATOM 0 HE2 LYS A 78 -15.532 1.373 -7.086 1.00 54.54 H new ATOM 0 HE3 LYS A 78 -14.894 -0.200 -6.651 1.00 54.54 H new ATOM 0 HZ1 LYS A 78 -16.832 0.386 -5.357 1.00 14.54 H new ATOM 0 HZ2 LYS A 78 -15.470 0.213 -4.359 1.00 14.54 H new ATOM 0 HZ3 LYS A 78 -16.045 1.762 -4.749 1.00 14.54 H new ATOM 1196 N ALA A 79 -11.799 -3.652 -6.203 1.00 10.44 N ATOM 1197 CA ALA A 79 -12.209 -4.900 -6.813 1.00 3.14 C ATOM 1198 C ALA A 79 -12.121 -6.038 -5.807 1.00 4.12 C ATOM 1199 O ALA A 79 -13.015 -6.879 -5.780 1.00 70.43 O ATOM 1200 CB ALA A 79 -11.353 -5.201 -8.041 1.00 54.25 C ATOM 0 H ALA A 79 -11.013 -3.210 -6.680 1.00 10.44 H new ATOM 0 HA ALA A 79 -13.247 -4.804 -7.133 1.00 3.14 H new ATOM 0 HB1 ALA A 79 -11.675 -6.142 -8.487 1.00 54.25 H new ATOM 0 HB2 ALA A 79 -11.466 -4.397 -8.769 1.00 54.25 H new ATOM 0 HB3 ALA A 79 -10.307 -5.279 -7.745 1.00 54.25 H new