USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 517 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 198 TYR OH : rot 165:sc= -1.54! USER MOD Set 1.2: A 223 HIS : no HD1:sc= -0.293 K(o=-1.8,f=-2.8) USER MOD Single : A 163 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.3) USER MOD Single : A 164 LYS NZ :NH3+ -177:sc= 1.09 (180deg=1.07) USER MOD Single : A 165 GLN : amide:sc= -3.14! K(o=-3.1!,f=-0.015) USER MOD Single : A 167 THR OG1 : rot 180:sc= -0.0957 USER MOD Single : A 173 CYS SG : rot 180:sc= 0.133 USER MOD Single : A 176 THR OG1 : rot -170:sc= -0.64 USER MOD Single : A 180 SER OG : rot -84:sc= 0.696 USER MOD Single : A 182 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0275) USER MOD Single : A 183 LYS NZ :NH3+ 149:sc= -0.131 (180deg=-0.764) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 187 MET CE :methyl -161:sc= -1.27 (180deg=-1.86!) USER MOD Single : A 194 CYS SG : rot -38:sc= -0.0731 USER MOD Single : A 195 CYS SG : rot 96:sc= 0.655 USER MOD Single : A 212 THR OG1 : rot 180:sc= 0 USER MOD Single : A 215 SER OG : rot -170:sc= 0 USER MOD Single : A 218 THR OG1 : rot 93:sc= 0.998 USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 155 15.265 -0.968 0.380 1.00 0.42 N ATOM 66 CA PRO A 155 14.174 -0.027 0.641 1.00 0.38 C ATOM 67 C PRO A 155 12.841 -0.741 0.822 1.00 0.33 C ATOM 68 O PRO A 155 12.606 -1.786 0.213 1.00 0.33 O ATOM 69 CB PRO A 155 14.147 0.825 -0.622 1.00 0.40 C ATOM 70 CG PRO A 155 14.662 -0.077 -1.683 1.00 0.39 C ATOM 71 CD PRO A 155 15.734 -0.891 -1.020 1.00 0.43 C ATOM 0 HA PRO A 155 14.327 0.543 1.558 1.00 0.38 H new ATOM 0 HB2 PRO A 155 13.138 1.170 -0.848 1.00 0.40 H new ATOM 0 HB3 PRO A 155 14.771 1.713 -0.517 1.00 0.40 H new ATOM 0 HG2 PRO A 155 13.870 -0.714 -2.077 1.00 0.39 H new ATOM 0 HG3 PRO A 155 15.062 0.491 -2.523 1.00 0.39 H new ATOM 0 HD2 PRO A 155 15.829 -1.879 -1.470 1.00 0.43 H new ATOM 0 HD3 PRO A 155 16.710 -0.412 -1.094 1.00 0.43 H new ATOM 79 N ILE A 156 11.971 -0.180 1.649 1.00 0.33 N ATOM 80 CA ILE A 156 10.663 -0.774 1.900 1.00 0.29 C ATOM 81 C ILE A 156 9.563 0.284 1.941 1.00 0.29 C ATOM 82 O ILE A 156 9.814 1.452 2.245 1.00 0.37 O ATOM 83 CB ILE A 156 10.628 -1.567 3.229 1.00 0.31 C ATOM 84 CG1 ILE A 156 11.165 -0.707 4.379 1.00 0.38 C ATOM 85 CG2 ILE A 156 11.410 -2.874 3.107 1.00 0.37 C ATOM 86 CD1 ILE A 156 10.876 -1.272 5.755 1.00 0.79 C ATOM 0 H ILE A 156 12.146 0.686 2.159 1.00 0.33 H new ATOM 0 HA ILE A 156 10.484 -1.458 1.070 1.00 0.29 H new ATOM 0 HB ILE A 156 9.592 -1.822 3.450 1.00 0.31 H new ATOM 0 HG12 ILE A 156 12.243 -0.594 4.262 1.00 0.38 H new ATOM 0 HG13 ILE A 156 10.730 0.290 4.308 1.00 0.38 H new ATOM 0 HG21 ILE A 156 11.370 -3.412 4.054 1.00 0.37 H new ATOM 0 HG22 ILE A 156 10.971 -3.489 2.322 1.00 0.37 H new ATOM 0 HG23 ILE A 156 12.448 -2.655 2.858 1.00 0.37 H new ATOM 0 HD11 ILE A 156 11.287 -0.607 6.515 1.00 0.79 H new ATOM 0 HD12 ILE A 156 9.798 -1.359 5.894 1.00 0.79 H new ATOM 0 HD13 ILE A 156 11.334 -2.257 5.848 1.00 0.79 H new ATOM 98 N VAL A 157 8.355 -0.138 1.607 1.00 0.25 N ATOM 99 CA VAL A 157 7.168 0.678 1.747 1.00 0.27 C ATOM 100 C VAL A 157 6.150 -0.079 2.596 1.00 0.21 C ATOM 101 O VAL A 157 5.861 -1.251 2.349 1.00 0.25 O ATOM 102 CB VAL A 157 6.539 1.041 0.381 1.00 0.38 C ATOM 103 CG1 VAL A 157 5.234 1.800 0.577 1.00 1.05 C ATOM 104 CG2 VAL A 157 7.498 1.868 -0.467 1.00 0.91 C ATOM 0 H VAL A 157 8.172 -1.067 1.227 1.00 0.25 H new ATOM 0 HA VAL A 157 7.455 1.613 2.227 1.00 0.27 H new ATOM 0 HB VAL A 157 6.333 0.109 -0.145 1.00 0.38 H new ATOM 0 HG11 VAL A 157 4.807 2.046 -0.395 1.00 1.05 H new ATOM 0 HG12 VAL A 157 4.533 1.180 1.135 1.00 1.05 H new ATOM 0 HG13 VAL A 157 5.427 2.718 1.132 1.00 1.05 H new ATOM 0 HG21 VAL A 157 7.027 2.107 -1.420 1.00 0.91 H new ATOM 0 HG22 VAL A 157 7.744 2.791 0.058 1.00 0.91 H new ATOM 0 HG23 VAL A 157 8.410 1.298 -0.646 1.00 0.91 H new ATOM 114 N ARG A 158 5.629 0.592 3.602 1.00 0.21 N ATOM 115 CA ARG A 158 4.718 -0.019 4.555 1.00 0.21 C ATOM 116 C ARG A 158 3.285 0.366 4.241 1.00 0.21 C ATOM 117 O ARG A 158 2.952 1.544 4.182 1.00 0.32 O ATOM 118 CB ARG A 158 5.072 0.429 5.969 1.00 0.26 C ATOM 119 CG ARG A 158 6.459 -0.006 6.415 1.00 0.29 C ATOM 120 CD ARG A 158 6.946 0.781 7.619 1.00 0.49 C ATOM 121 NE ARG A 158 7.233 2.175 7.293 1.00 1.36 N ATOM 122 CZ ARG A 158 8.462 2.644 7.073 1.00 1.81 C ATOM 123 NH1 ARG A 158 9.504 1.821 7.108 1.00 1.70 N ATOM 124 NH2 ARG A 158 8.651 3.934 6.820 1.00 2.87 N ATOM 0 H ARG A 158 5.823 1.577 3.785 1.00 0.21 H new ATOM 0 HA ARG A 158 4.814 -1.102 4.483 1.00 0.21 H new ATOM 0 HB2 ARG A 158 5.006 1.516 6.024 1.00 0.26 H new ATOM 0 HB3 ARG A 158 4.334 0.029 6.664 1.00 0.26 H new ATOM 0 HG2 ARG A 158 6.444 -1.068 6.659 1.00 0.29 H new ATOM 0 HG3 ARG A 158 7.161 0.122 5.591 1.00 0.29 H new ATOM 0 HD2 ARG A 158 6.191 0.742 8.405 1.00 0.49 H new ATOM 0 HD3 ARG A 158 7.845 0.311 8.017 1.00 0.49 H new ATOM 0 HE ARG A 158 6.450 2.826 7.230 1.00 1.36 H new ATOM 0 HH11 ARG A 158 9.365 0.830 7.303 1.00 1.70 H new ATOM 0 HH12 ARG A 158 10.444 2.180 6.940 1.00 1.70 H new ATOM 0 HH21 ARG A 158 7.854 4.571 6.793 1.00 2.87 H new ATOM 0 HH22 ARG A 158 9.593 4.288 6.652 1.00 2.87 H new ATOM 138 N VAL A 159 2.445 -0.625 4.032 1.00 0.20 N ATOM 139 CA VAL A 159 1.044 -0.378 3.708 1.00 0.21 C ATOM 140 C VAL A 159 0.127 -0.735 4.867 1.00 0.23 C ATOM 141 O VAL A 159 0.183 -1.843 5.390 1.00 0.36 O ATOM 142 CB VAL A 159 0.585 -1.196 2.492 1.00 0.28 C ATOM 143 CG1 VAL A 159 -0.836 -0.829 2.115 1.00 0.42 C ATOM 144 CG2 VAL A 159 1.515 -0.990 1.313 1.00 0.35 C ATOM 0 H VAL A 159 2.701 -1.611 4.079 1.00 0.20 H new ATOM 0 HA VAL A 159 0.978 0.688 3.489 1.00 0.21 H new ATOM 0 HB VAL A 159 0.614 -2.251 2.764 1.00 0.28 H new ATOM 0 HG11 VAL A 159 -1.147 -1.417 1.252 1.00 0.42 H new ATOM 0 HG12 VAL A 159 -1.500 -1.037 2.954 1.00 0.42 H new ATOM 0 HG13 VAL A 159 -0.885 0.232 1.868 1.00 0.42 H new ATOM 0 HG21 VAL A 159 1.166 -1.581 0.466 1.00 0.35 H new ATOM 0 HG22 VAL A 159 1.527 0.065 1.039 1.00 0.35 H new ATOM 0 HG23 VAL A 159 2.522 -1.305 1.585 1.00 0.35 H new ATOM 154 N PHE A 160 -0.725 0.198 5.252 1.00 0.22 N ATOM 155 CA PHE A 160 -1.776 -0.091 6.209 1.00 0.22 C ATOM 156 C PHE A 160 -2.939 -0.774 5.488 1.00 0.24 C ATOM 157 O PHE A 160 -3.758 -0.118 4.853 1.00 0.28 O ATOM 158 CB PHE A 160 -2.262 1.207 6.863 1.00 0.25 C ATOM 159 CG PHE A 160 -1.287 1.824 7.831 1.00 0.30 C ATOM 160 CD1 PHE A 160 -0.107 2.403 7.385 1.00 0.38 C ATOM 161 CD2 PHE A 160 -1.564 1.842 9.189 1.00 0.48 C ATOM 162 CE1 PHE A 160 0.776 2.986 8.274 1.00 0.46 C ATOM 163 CE2 PHE A 160 -0.683 2.420 10.084 1.00 0.58 C ATOM 164 CZ PHE A 160 0.487 2.994 9.625 1.00 0.51 C ATOM 0 H PHE A 160 -0.709 1.161 4.917 1.00 0.22 H new ATOM 0 HA PHE A 160 -1.387 -0.751 6.985 1.00 0.22 H new ATOM 0 HB2 PHE A 160 -2.484 1.932 6.080 1.00 0.25 H new ATOM 0 HB3 PHE A 160 -3.197 1.007 7.387 1.00 0.25 H new ATOM 0 HD1 PHE A 160 0.124 2.398 6.330 1.00 0.38 H new ATOM 0 HD2 PHE A 160 -2.479 1.399 9.552 1.00 0.48 H new ATOM 0 HE1 PHE A 160 1.690 3.434 7.913 1.00 0.46 H new ATOM 0 HE2 PHE A 160 -0.909 2.423 11.140 1.00 0.58 H new ATOM 0 HZ PHE A 160 1.175 3.449 10.322 1.00 0.51 H new ATOM 174 N LEU A 161 -2.992 -2.089 5.599 1.00 0.27 N ATOM 175 CA LEU A 161 -4.039 -2.911 4.983 1.00 0.33 C ATOM 176 C LEU A 161 -5.446 -2.596 5.493 1.00 0.33 C ATOM 177 O LEU A 161 -5.629 -1.879 6.481 1.00 0.37 O ATOM 178 CB LEU A 161 -3.751 -4.389 5.262 1.00 0.49 C ATOM 179 CG LEU A 161 -2.838 -5.103 4.269 1.00 0.72 C ATOM 180 CD1 LEU A 161 -1.842 -4.138 3.687 1.00 1.46 C ATOM 181 CD2 LEU A 161 -2.110 -6.220 4.973 1.00 0.98 C ATOM 0 H LEU A 161 -2.305 -2.630 6.124 1.00 0.27 H new ATOM 0 HA LEU A 161 -4.018 -2.685 3.917 1.00 0.33 H new ATOM 0 HB2 LEU A 161 -3.306 -4.469 6.254 1.00 0.49 H new ATOM 0 HB3 LEU A 161 -4.701 -4.922 5.296 1.00 0.49 H new ATOM 0 HG LEU A 161 -3.444 -5.511 3.460 1.00 0.72 H new ATOM 0 HD11 LEU A 161 -1.198 -4.662 2.981 1.00 1.46 H new ATOM 0 HD12 LEU A 161 -2.371 -3.337 3.171 1.00 1.46 H new ATOM 0 HD13 LEU A 161 -1.235 -3.715 4.487 1.00 1.46 H new ATOM 0 HD21 LEU A 161 -1.457 -6.731 4.266 1.00 0.98 H new ATOM 0 HD22 LEU A 161 -1.512 -5.809 5.786 1.00 0.98 H new ATOM 0 HD23 LEU A 161 -2.834 -6.928 5.377 1.00 0.98 H new ATOM 193 N PRO A 162 -6.456 -3.135 4.785 1.00 0.38 N ATOM 194 CA PRO A 162 -7.845 -3.180 5.251 1.00 0.43 C ATOM 195 C PRO A 162 -7.951 -3.739 6.668 1.00 0.42 C ATOM 196 O PRO A 162 -7.093 -4.512 7.099 1.00 0.40 O ATOM 197 CB PRO A 162 -8.515 -4.135 4.269 1.00 0.49 C ATOM 198 CG PRO A 162 -7.719 -4.020 3.018 1.00 0.50 C ATOM 199 CD PRO A 162 -6.307 -3.711 3.438 1.00 0.46 C ATOM 0 HA PRO A 162 -8.297 -2.189 5.286 1.00 0.43 H new ATOM 0 HB2 PRO A 162 -8.511 -5.157 4.647 1.00 0.49 H new ATOM 0 HB3 PRO A 162 -9.557 -3.862 4.101 1.00 0.49 H new ATOM 0 HG2 PRO A 162 -7.760 -4.947 2.446 1.00 0.50 H new ATOM 0 HG3 PRO A 162 -8.115 -3.232 2.377 1.00 0.50 H new ATOM 0 HD2 PRO A 162 -5.689 -4.609 3.454 1.00 0.46 H new ATOM 0 HD3 PRO A 162 -5.831 -3.009 2.754 1.00 0.46 H new ATOM 207 N ASN A 163 -8.998 -3.330 7.390 1.00 0.51 N ATOM 208 CA ASN A 163 -9.171 -3.682 8.804 1.00 0.54 C ATOM 209 C ASN A 163 -8.030 -3.070 9.613 1.00 0.48 C ATOM 210 O ASN A 163 -7.800 -3.397 10.776 1.00 0.53 O ATOM 211 CB ASN A 163 -9.251 -5.208 8.982 1.00 0.60 C ATOM 212 CG ASN A 163 -9.696 -5.636 10.370 1.00 1.26 C ATOM 213 OD1 ASN A 163 -8.878 -5.961 11.231 1.00 2.08 O ATOM 214 ND2 ASN A 163 -10.999 -5.641 10.596 1.00 1.86 N ATOM 0 H ASN A 163 -9.747 -2.748 7.014 1.00 0.51 H new ATOM 0 HA ASN A 163 -10.113 -3.275 9.172 1.00 0.54 H new ATOM 0 HB2 ASN A 163 -9.944 -5.615 8.246 1.00 0.60 H new ATOM 0 HB3 ASN A 163 -8.273 -5.641 8.773 1.00 0.60 H new ATOM 0 HD21 ASN A 163 -11.357 -5.921 11.509 1.00 1.86 H new ATOM 0 HD22 ASN A 163 -11.646 -5.365 9.857 1.00 1.86 H new ATOM 221 N LYS A 164 -7.334 -2.152 8.952 1.00 0.48 N ATOM 222 CA LYS A 164 -6.232 -1.404 9.525 1.00 0.52 C ATOM 223 C LYS A 164 -5.124 -2.316 10.035 1.00 0.44 C ATOM 224 O LYS A 164 -4.603 -2.133 11.134 1.00 0.52 O ATOM 225 CB LYS A 164 -6.735 -0.461 10.613 1.00 0.69 C ATOM 226 CG LYS A 164 -7.704 0.591 10.085 1.00 0.88 C ATOM 227 CD LYS A 164 -6.989 1.805 9.479 1.00 1.22 C ATOM 228 CE LYS A 164 -6.173 1.485 8.226 1.00 2.04 C ATOM 229 NZ LYS A 164 -6.988 0.867 7.142 1.00 2.74 N ATOM 0 H LYS A 164 -7.528 -1.905 7.982 1.00 0.48 H new ATOM 0 HA LYS A 164 -5.792 -0.801 8.731 1.00 0.52 H new ATOM 0 HB2 LYS A 164 -7.228 -1.043 11.392 1.00 0.69 H new ATOM 0 HB3 LYS A 164 -5.884 0.037 11.077 1.00 0.69 H new ATOM 0 HG2 LYS A 164 -8.348 0.140 9.330 1.00 0.88 H new ATOM 0 HG3 LYS A 164 -8.350 0.924 10.897 1.00 0.88 H new ATOM 0 HD2 LYS A 164 -7.731 2.565 9.233 1.00 1.22 H new ATOM 0 HD3 LYS A 164 -6.328 2.237 10.230 1.00 1.22 H new ATOM 0 HE2 LYS A 164 -5.717 2.402 7.852 1.00 2.04 H new ATOM 0 HE3 LYS A 164 -5.360 0.810 8.492 1.00 2.04 H new ATOM 0 HZ1 LYS A 164 -6.372 0.626 6.339 1.00 2.74 H new ATOM 0 HZ2 LYS A 164 -7.444 0.004 7.500 1.00 2.74 H new ATOM 0 HZ3 LYS A 164 -7.717 1.540 6.830 1.00 2.74 H new ATOM 243 N GLN A 165 -4.777 -3.309 9.227 1.00 0.36 N ATOM 244 CA GLN A 165 -3.562 -4.076 9.451 1.00 0.37 C ATOM 245 C GLN A 165 -2.424 -3.278 8.853 1.00 0.33 C ATOM 246 O GLN A 165 -2.652 -2.201 8.312 1.00 0.38 O ATOM 247 CB GLN A 165 -3.647 -5.457 8.777 1.00 0.42 C ATOM 248 CG GLN A 165 -5.047 -6.051 8.737 1.00 0.50 C ATOM 249 CD GLN A 165 -5.521 -6.642 10.057 1.00 0.66 C ATOM 250 OE1 GLN A 165 -6.304 -7.592 10.065 1.00 1.33 O ATOM 251 NE2 GLN A 165 -5.065 -6.098 11.175 1.00 1.33 N ATOM 0 H GLN A 165 -5.319 -3.601 8.413 1.00 0.36 H new ATOM 0 HA GLN A 165 -3.412 -4.246 10.517 1.00 0.37 H new ATOM 0 HB2 GLN A 165 -3.271 -5.374 7.757 1.00 0.42 H new ATOM 0 HB3 GLN A 165 -2.988 -6.146 9.304 1.00 0.42 H new ATOM 0 HG2 GLN A 165 -5.748 -5.276 8.428 1.00 0.50 H new ATOM 0 HG3 GLN A 165 -5.076 -6.829 7.974 1.00 0.50 H new ATOM 0 HE21 GLN A 165 -4.417 -5.311 11.132 1.00 1.33 H new ATOM 0 HE22 GLN A 165 -5.362 -6.466 12.079 1.00 1.33 H new ATOM 260 N ARG A 166 -1.207 -3.752 8.963 1.00 0.34 N ATOM 261 CA ARG A 166 -0.122 -3.088 8.286 1.00 0.32 C ATOM 262 C ARG A 166 0.950 -4.077 7.875 1.00 0.41 C ATOM 263 O ARG A 166 1.407 -4.890 8.675 1.00 0.79 O ATOM 264 CB ARG A 166 0.458 -1.974 9.148 1.00 0.40 C ATOM 265 CG ARG A 166 1.267 -0.986 8.368 1.00 0.95 C ATOM 266 CD ARG A 166 2.077 -0.102 9.289 1.00 0.96 C ATOM 267 NE ARG A 166 2.939 -0.870 10.185 1.00 1.54 N ATOM 268 CZ ARG A 166 4.127 -0.451 10.618 1.00 1.82 C ATOM 269 NH1 ARG A 166 4.606 0.732 10.237 1.00 1.62 N ATOM 270 NH2 ARG A 166 4.836 -1.214 11.439 1.00 2.49 N ATOM 0 H ARG A 166 -0.947 -4.577 9.503 1.00 0.34 H new ATOM 0 HA ARG A 166 -0.520 -2.634 7.378 1.00 0.32 H new ATOM 0 HB2 ARG A 166 -0.356 -1.451 9.651 1.00 0.40 H new ATOM 0 HB3 ARG A 166 1.083 -2.413 9.925 1.00 0.40 H new ATOM 0 HG2 ARG A 166 1.933 -1.514 7.686 1.00 0.95 H new ATOM 0 HG3 ARG A 166 0.606 -0.372 7.756 1.00 0.95 H new ATOM 0 HD2 ARG A 166 2.689 0.575 8.693 1.00 0.96 H new ATOM 0 HD3 ARG A 166 1.402 0.516 9.881 1.00 0.96 H new ATOM 0 HE ARG A 166 2.611 -1.783 10.498 1.00 1.54 H new ATOM 0 HH11 ARG A 166 4.062 1.324 9.609 1.00 1.62 H new ATOM 0 HH12 ARG A 166 5.517 1.046 10.573 1.00 1.62 H new ATOM 0 HH21 ARG A 166 4.471 -2.119 11.737 1.00 2.49 H new ATOM 0 HH22 ARG A 166 5.746 -0.896 11.772 1.00 2.49 H new ATOM 284 N THR A 167 1.328 -4.000 6.620 1.00 0.25 N ATOM 285 CA THR A 167 2.331 -4.870 6.050 1.00 0.27 C ATOM 286 C THR A 167 3.504 -4.040 5.564 1.00 0.25 C ATOM 287 O THR A 167 3.477 -2.808 5.644 1.00 0.31 O ATOM 288 CB THR A 167 1.754 -5.654 4.856 1.00 0.35 C ATOM 289 OG1 THR A 167 2.648 -6.694 4.450 1.00 0.50 O ATOM 290 CG2 THR A 167 1.525 -4.718 3.687 1.00 0.52 C ATOM 0 H THR A 167 0.944 -3.325 5.959 1.00 0.25 H new ATOM 0 HA THR A 167 2.655 -5.572 6.818 1.00 0.27 H new ATOM 0 HB THR A 167 0.809 -6.099 5.168 1.00 0.35 H new ATOM 0 HG1 THR A 167 2.261 -7.180 3.692 1.00 0.50 H new ATOM 0 HG21 THR A 167 1.117 -5.279 2.846 1.00 0.52 H new ATOM 0 HG22 THR A 167 0.822 -3.938 3.978 1.00 0.52 H new ATOM 0 HG23 THR A 167 2.471 -4.263 3.394 1.00 0.52 H new ATOM 298 N VAL A 168 4.523 -4.706 5.054 1.00 0.25 N ATOM 299 CA VAL A 168 5.640 -4.020 4.444 1.00 0.27 C ATOM 300 C VAL A 168 6.128 -4.806 3.241 1.00 0.25 C ATOM 301 O VAL A 168 6.373 -6.011 3.326 1.00 0.30 O ATOM 302 CB VAL A 168 6.831 -3.840 5.403 1.00 0.39 C ATOM 303 CG1 VAL A 168 7.723 -2.706 4.936 1.00 0.73 C ATOM 304 CG2 VAL A 168 6.375 -3.616 6.839 1.00 0.88 C ATOM 0 H VAL A 168 4.598 -5.723 5.051 1.00 0.25 H new ATOM 0 HA VAL A 168 5.276 -3.033 4.160 1.00 0.27 H new ATOM 0 HB VAL A 168 7.407 -4.765 5.389 1.00 0.39 H new ATOM 0 HG11 VAL A 168 8.559 -2.593 5.626 1.00 0.73 H new ATOM 0 HG12 VAL A 168 8.103 -2.929 3.939 1.00 0.73 H new ATOM 0 HG13 VAL A 168 7.149 -1.780 4.907 1.00 0.73 H new ATOM 0 HG21 VAL A 168 7.246 -3.494 7.483 1.00 0.88 H new ATOM 0 HG22 VAL A 168 5.758 -2.719 6.889 1.00 0.88 H new ATOM 0 HG23 VAL A 168 5.794 -4.475 7.174 1.00 0.88 H new ATOM 314 N VAL A 169 6.257 -4.116 2.133 1.00 0.26 N ATOM 315 CA VAL A 169 6.834 -4.678 0.923 1.00 0.26 C ATOM 316 C VAL A 169 8.005 -3.820 0.466 1.00 0.28 C ATOM 317 O VAL A 169 7.903 -2.595 0.432 1.00 0.29 O ATOM 318 CB VAL A 169 5.812 -4.804 -0.226 1.00 0.32 C ATOM 319 CG1 VAL A 169 4.874 -5.965 0.027 1.00 1.17 C ATOM 320 CG2 VAL A 169 5.026 -3.520 -0.426 1.00 1.31 C ATOM 0 H VAL A 169 5.965 -3.143 2.039 1.00 0.26 H new ATOM 0 HA VAL A 169 7.170 -5.685 1.169 1.00 0.26 H new ATOM 0 HB VAL A 169 6.370 -4.992 -1.143 1.00 0.32 H new ATOM 0 HG11 VAL A 169 4.159 -6.040 -0.792 1.00 1.17 H new ATOM 0 HG12 VAL A 169 5.448 -6.889 0.094 1.00 1.17 H new ATOM 0 HG13 VAL A 169 4.338 -5.803 0.962 1.00 1.17 H new ATOM 0 HG21 VAL A 169 4.318 -3.651 -1.244 1.00 1.31 H new ATOM 0 HG22 VAL A 169 4.484 -3.279 0.488 1.00 1.31 H new ATOM 0 HG23 VAL A 169 5.712 -2.707 -0.666 1.00 1.31 H new ATOM 330 N PRO A 170 9.149 -4.449 0.159 1.00 0.31 N ATOM 331 CA PRO A 170 10.313 -3.749 -0.382 1.00 0.32 C ATOM 332 C PRO A 170 9.948 -2.851 -1.557 1.00 0.28 C ATOM 333 O PRO A 170 9.040 -3.163 -2.329 1.00 0.33 O ATOM 334 CB PRO A 170 11.217 -4.886 -0.854 1.00 0.40 C ATOM 335 CG PRO A 170 10.873 -6.036 0.024 1.00 0.59 C ATOM 336 CD PRO A 170 9.416 -5.882 0.373 1.00 0.39 C ATOM 0 HA PRO A 170 10.774 -3.091 0.355 1.00 0.32 H new ATOM 0 HB2 PRO A 170 11.040 -5.123 -1.903 1.00 0.40 H new ATOM 0 HB3 PRO A 170 12.270 -4.619 -0.761 1.00 0.40 H new ATOM 0 HG2 PRO A 170 11.052 -6.982 -0.487 1.00 0.59 H new ATOM 0 HG3 PRO A 170 11.490 -6.037 0.923 1.00 0.59 H new ATOM 0 HD2 PRO A 170 8.785 -6.505 -0.261 1.00 0.39 H new ATOM 0 HD3 PRO A 170 9.219 -6.175 1.404 1.00 0.39 H new ATOM 344 N ALA A 171 10.654 -1.730 -1.672 1.00 0.24 N ATOM 345 CA ALA A 171 10.417 -0.765 -2.737 1.00 0.21 C ATOM 346 C ALA A 171 10.789 -1.367 -4.085 1.00 0.24 C ATOM 347 O ALA A 171 11.876 -1.129 -4.615 1.00 0.35 O ATOM 348 CB ALA A 171 11.211 0.507 -2.487 1.00 0.21 C ATOM 0 H ALA A 171 11.403 -1.467 -1.032 1.00 0.24 H new ATOM 0 HA ALA A 171 9.357 -0.513 -2.749 1.00 0.21 H new ATOM 0 HB1 ALA A 171 11.023 1.218 -3.292 1.00 0.21 H new ATOM 0 HB2 ALA A 171 10.906 0.946 -1.537 1.00 0.21 H new ATOM 0 HB3 ALA A 171 12.275 0.271 -2.453 1.00 0.21 H new ATOM 354 N ARG A 172 9.880 -2.166 -4.610 1.00 0.26 N ATOM 355 CA ARG A 172 10.078 -2.860 -5.865 1.00 0.29 C ATOM 356 C ARG A 172 10.195 -1.877 -7.024 1.00 0.27 C ATOM 357 O ARG A 172 9.232 -1.194 -7.375 1.00 0.27 O ATOM 358 CB ARG A 172 8.912 -3.824 -6.090 1.00 0.33 C ATOM 359 CG ARG A 172 8.906 -5.012 -5.140 1.00 0.46 C ATOM 360 CD ARG A 172 10.109 -5.911 -5.372 1.00 0.56 C ATOM 361 NE ARG A 172 10.139 -6.431 -6.738 1.00 1.33 N ATOM 362 CZ ARG A 172 11.254 -6.758 -7.392 1.00 1.81 C ATOM 363 NH1 ARG A 172 12.436 -6.623 -6.803 1.00 1.58 N ATOM 364 NH2 ARG A 172 11.184 -7.223 -8.631 1.00 2.81 N ATOM 0 H ARG A 172 8.977 -2.352 -4.173 1.00 0.26 H new ATOM 0 HA ARG A 172 11.012 -3.421 -5.819 1.00 0.29 H new ATOM 0 HB2 ARG A 172 7.975 -3.278 -5.980 1.00 0.33 H new ATOM 0 HB3 ARG A 172 8.949 -4.191 -7.116 1.00 0.33 H new ATOM 0 HG2 ARG A 172 8.909 -4.656 -4.110 1.00 0.46 H new ATOM 0 HG3 ARG A 172 7.989 -5.585 -5.277 1.00 0.46 H new ATOM 0 HD2 ARG A 172 11.024 -5.353 -5.175 1.00 0.56 H new ATOM 0 HD3 ARG A 172 10.084 -6.742 -4.667 1.00 0.56 H new ATOM 0 HE ARG A 172 9.249 -6.551 -7.222 1.00 1.33 H new ATOM 0 HH11 ARG A 172 12.493 -6.269 -5.848 1.00 1.58 H new ATOM 0 HH12 ARG A 172 13.288 -6.874 -7.305 1.00 1.58 H new ATOM 0 HH21 ARG A 172 10.277 -7.331 -9.085 1.00 2.81 H new ATOM 0 HH22 ARG A 172 12.037 -7.473 -9.131 1.00 2.81 H new ATOM 378 N CYS A 173 11.384 -1.803 -7.603 1.00 0.30 N ATOM 379 CA CYS A 173 11.635 -0.924 -8.732 1.00 0.32 C ATOM 380 C CYS A 173 11.115 -1.554 -10.020 1.00 0.31 C ATOM 381 O CYS A 173 11.296 -2.752 -10.254 1.00 0.41 O ATOM 382 CB CYS A 173 13.130 -0.617 -8.832 1.00 0.40 C ATOM 383 SG CYS A 173 14.191 -2.080 -8.741 1.00 1.44 S ATOM 0 H CYS A 173 12.195 -2.346 -7.306 1.00 0.30 H new ATOM 0 HA CYS A 173 11.102 0.015 -8.580 1.00 0.32 H new ATOM 0 HB2 CYS A 173 13.322 -0.100 -9.772 1.00 0.40 H new ATOM 0 HB3 CYS A 173 13.404 0.068 -8.030 1.00 0.40 H new ATOM 0 HG CYS A 173 15.436 -1.720 -8.837 1.00 1.44 H new ATOM 389 N GLY A 174 10.458 -0.747 -10.843 1.00 0.30 N ATOM 390 CA GLY A 174 9.811 -1.259 -12.034 1.00 0.33 C ATOM 391 C GLY A 174 8.512 -1.957 -11.689 1.00 0.30 C ATOM 392 O GLY A 174 7.946 -2.691 -12.500 1.00 0.43 O ATOM 0 H GLY A 174 10.362 0.259 -10.705 1.00 0.30 H new ATOM 0 HA2 GLY A 174 9.615 -0.440 -12.726 1.00 0.33 H new ATOM 0 HA3 GLY A 174 10.478 -1.955 -12.544 1.00 0.33 H new ATOM 396 N VAL A 175 8.047 -1.724 -10.471 1.00 0.25 N ATOM 397 CA VAL A 175 6.854 -2.369 -9.962 1.00 0.28 C ATOM 398 C VAL A 175 5.864 -1.338 -9.441 1.00 0.26 C ATOM 399 O VAL A 175 6.238 -0.395 -8.739 1.00 0.35 O ATOM 400 CB VAL A 175 7.210 -3.372 -8.841 1.00 0.35 C ATOM 401 CG1 VAL A 175 5.966 -3.863 -8.121 1.00 0.69 C ATOM 402 CG2 VAL A 175 7.956 -4.558 -9.420 1.00 0.97 C ATOM 0 H VAL A 175 8.488 -1.083 -9.811 1.00 0.25 H new ATOM 0 HA VAL A 175 6.391 -2.914 -10.785 1.00 0.28 H new ATOM 0 HB VAL A 175 7.843 -2.853 -8.122 1.00 0.35 H new ATOM 0 HG11 VAL A 175 6.252 -4.567 -7.339 1.00 0.69 H new ATOM 0 HG12 VAL A 175 5.446 -3.016 -7.674 1.00 0.69 H new ATOM 0 HG13 VAL A 175 5.306 -4.360 -8.832 1.00 0.69 H new ATOM 0 HG21 VAL A 175 8.202 -5.258 -8.622 1.00 0.97 H new ATOM 0 HG22 VAL A 175 7.329 -5.056 -10.159 1.00 0.97 H new ATOM 0 HG23 VAL A 175 8.874 -4.213 -9.896 1.00 0.97 H new ATOM 412 N THR A 176 4.604 -1.518 -9.798 1.00 0.22 N ATOM 413 CA THR A 176 3.559 -0.623 -9.355 1.00 0.25 C ATOM 414 C THR A 176 3.084 -1.013 -7.964 1.00 0.23 C ATOM 415 O THR A 176 3.416 -2.109 -7.475 1.00 0.25 O ATOM 416 CB THR A 176 2.365 -0.643 -10.326 1.00 0.31 C ATOM 417 OG1 THR A 176 1.956 -1.996 -10.569 1.00 0.47 O ATOM 418 CG2 THR A 176 2.724 0.023 -11.643 1.00 0.40 C ATOM 0 H THR A 176 4.283 -2.280 -10.396 1.00 0.22 H new ATOM 0 HA THR A 176 3.973 0.385 -9.329 1.00 0.25 H new ATOM 0 HB THR A 176 1.546 -0.089 -9.869 1.00 0.31 H new ATOM 0 HG1 THR A 176 1.306 -2.015 -11.302 1.00 0.47 H new ATOM 0 HG21 THR A 176 1.863 -0.005 -12.311 1.00 0.40 H new ATOM 0 HG22 THR A 176 3.009 1.059 -11.461 1.00 0.40 H new ATOM 0 HG23 THR A 176 3.558 -0.507 -12.103 1.00 0.40 H new ATOM 426 N VAL A 177 2.320 -0.135 -7.318 1.00 0.25 N ATOM 427 CA VAL A 177 1.739 -0.469 -6.028 1.00 0.27 C ATOM 428 C VAL A 177 0.979 -1.780 -6.166 1.00 0.24 C ATOM 429 O VAL A 177 1.059 -2.639 -5.303 1.00 0.28 O ATOM 430 CB VAL A 177 0.801 0.641 -5.469 1.00 0.34 C ATOM 431 CG1 VAL A 177 1.388 2.023 -5.693 1.00 1.20 C ATOM 432 CG2 VAL A 177 -0.600 0.556 -6.045 1.00 1.39 C ATOM 0 H VAL A 177 2.094 0.798 -7.663 1.00 0.25 H new ATOM 0 HA VAL A 177 2.554 -0.563 -5.310 1.00 0.27 H new ATOM 0 HB VAL A 177 0.721 0.470 -4.395 1.00 0.34 H new ATOM 0 HG11 VAL A 177 0.710 2.776 -5.292 1.00 1.20 H new ATOM 0 HG12 VAL A 177 2.351 2.096 -5.187 1.00 1.20 H new ATOM 0 HG13 VAL A 177 1.526 2.191 -6.761 1.00 1.20 H new ATOM 0 HG21 VAL A 177 -1.215 1.351 -5.624 1.00 1.39 H new ATOM 0 HG22 VAL A 177 -0.555 0.667 -7.128 1.00 1.39 H new ATOM 0 HG23 VAL A 177 -1.037 -0.411 -5.797 1.00 1.39 H new ATOM 442 N ARG A 178 0.327 -1.939 -7.318 1.00 0.23 N ATOM 443 CA ARG A 178 -0.488 -3.100 -7.626 1.00 0.26 C ATOM 444 C ARG A 178 0.183 -4.403 -7.238 1.00 0.23 C ATOM 445 O ARG A 178 -0.305 -5.109 -6.381 1.00 0.33 O ATOM 446 CB ARG A 178 -0.815 -3.093 -9.117 1.00 0.39 C ATOM 447 CG ARG A 178 -1.622 -4.289 -9.583 1.00 0.85 C ATOM 448 CD ARG A 178 -0.750 -5.292 -10.317 1.00 1.65 C ATOM 449 NE ARG A 178 -0.060 -4.677 -11.453 1.00 2.02 N ATOM 450 CZ ARG A 178 0.990 -5.209 -12.080 1.00 2.82 C ATOM 451 NH1 ARG A 178 1.441 -6.407 -11.738 1.00 3.53 N ATOM 452 NH2 ARG A 178 1.572 -4.544 -13.065 1.00 3.28 N ATOM 0 H ARG A 178 0.355 -1.251 -8.070 1.00 0.23 H new ATOM 0 HA ARG A 178 -1.403 -3.036 -7.037 1.00 0.26 H new ATOM 0 HB2 ARG A 178 -1.367 -2.183 -9.352 1.00 0.39 H new ATOM 0 HB3 ARG A 178 0.117 -3.056 -9.681 1.00 0.39 H new ATOM 0 HG2 ARG A 178 -2.090 -4.771 -8.725 1.00 0.85 H new ATOM 0 HG3 ARG A 178 -2.426 -3.955 -10.239 1.00 0.85 H new ATOM 0 HD2 ARG A 178 -0.016 -5.710 -9.628 1.00 1.65 H new ATOM 0 HD3 ARG A 178 -1.365 -6.120 -10.669 1.00 1.65 H new ATOM 0 HE ARG A 178 -0.407 -3.778 -11.788 1.00 2.02 H new ATOM 0 HH11 ARG A 178 0.985 -6.929 -10.990 1.00 3.53 H new ATOM 0 HH12 ARG A 178 2.245 -6.807 -12.223 1.00 3.53 H new ATOM 0 HH21 ARG A 178 1.217 -3.629 -13.342 1.00 3.28 H new ATOM 0 HH22 ARG A 178 2.375 -4.947 -13.547 1.00 3.28 H new ATOM 466 N ASP A 179 1.308 -4.695 -7.850 1.00 0.20 N ATOM 467 CA ASP A 179 1.979 -5.977 -7.646 1.00 0.19 C ATOM 468 C ASP A 179 2.525 -6.088 -6.232 1.00 0.17 C ATOM 469 O ASP A 179 2.366 -7.116 -5.557 1.00 0.18 O ATOM 470 CB ASP A 179 3.129 -6.146 -8.638 1.00 0.23 C ATOM 471 CG ASP A 179 3.789 -7.508 -8.522 1.00 0.32 C ATOM 472 OD1 ASP A 179 4.892 -7.592 -7.942 1.00 1.12 O ATOM 473 OD2 ASP A 179 3.202 -8.505 -8.995 1.00 1.19 O ATOM 0 H ASP A 179 1.785 -4.067 -8.496 1.00 0.20 H new ATOM 0 HA ASP A 179 1.240 -6.762 -7.806 1.00 0.19 H new ATOM 0 HB2 ASP A 179 2.755 -6.011 -9.653 1.00 0.23 H new ATOM 0 HB3 ASP A 179 3.873 -5.368 -8.466 1.00 0.23 H new ATOM 478 N SER A 180 3.146 -5.018 -5.779 1.00 0.17 N ATOM 479 CA SER A 180 3.793 -5.014 -4.488 1.00 0.18 C ATOM 480 C SER A 180 2.781 -5.250 -3.381 1.00 0.17 C ATOM 481 O SER A 180 2.906 -6.195 -2.588 1.00 0.19 O ATOM 482 CB SER A 180 4.523 -3.690 -4.312 1.00 0.22 C ATOM 483 OG SER A 180 3.747 -2.610 -4.797 1.00 1.34 O ATOM 0 H SER A 180 3.215 -4.138 -6.290 1.00 0.17 H new ATOM 0 HA SER A 180 4.518 -5.826 -4.432 1.00 0.18 H new ATOM 0 HB2 SER A 180 4.750 -3.534 -3.257 1.00 0.22 H new ATOM 0 HB3 SER A 180 5.475 -3.724 -4.841 1.00 0.22 H new ATOM 0 HG SER A 180 3.876 -2.523 -5.765 1.00 1.34 H new ATOM 489 N LEU A 181 1.746 -4.438 -3.344 1.00 0.17 N ATOM 490 CA LEU A 181 0.806 -4.549 -2.275 1.00 0.18 C ATOM 491 C LEU A 181 -0.360 -5.493 -2.602 1.00 0.18 C ATOM 492 O LEU A 181 -1.198 -5.737 -1.747 1.00 0.20 O ATOM 493 CB LEU A 181 0.388 -3.155 -1.769 1.00 0.24 C ATOM 494 CG LEU A 181 -0.851 -2.446 -2.341 1.00 0.35 C ATOM 495 CD1 LEU A 181 -1.231 -2.900 -3.727 1.00 1.08 C ATOM 496 CD2 LEU A 181 -2.011 -2.585 -1.384 1.00 0.96 C ATOM 0 H LEU A 181 1.545 -3.712 -4.031 1.00 0.17 H new ATOM 0 HA LEU A 181 1.300 -5.037 -1.435 1.00 0.18 H new ATOM 0 HB2 LEU A 181 0.241 -3.237 -0.692 1.00 0.24 H new ATOM 0 HB3 LEU A 181 1.237 -2.490 -1.925 1.00 0.24 H new ATOM 0 HG LEU A 181 -0.587 -1.394 -2.447 1.00 0.35 H new ATOM 0 HD11 LEU A 181 -2.114 -2.354 -4.060 1.00 1.08 H new ATOM 0 HD12 LEU A 181 -0.405 -2.707 -4.412 1.00 1.08 H new ATOM 0 HD13 LEU A 181 -1.449 -3.968 -3.713 1.00 1.08 H new ATOM 0 HD21 LEU A 181 -2.885 -2.080 -1.796 1.00 0.96 H new ATOM 0 HD22 LEU A 181 -2.237 -3.641 -1.238 1.00 0.96 H new ATOM 0 HD23 LEU A 181 -1.749 -2.134 -0.427 1.00 0.96 H new ATOM 508 N LYS A 182 -0.423 -6.057 -3.816 1.00 0.18 N ATOM 509 CA LYS A 182 -1.378 -7.141 -4.038 1.00 0.22 C ATOM 510 C LYS A 182 -0.911 -8.337 -3.235 1.00 0.22 C ATOM 511 O LYS A 182 -1.714 -9.077 -2.670 1.00 0.25 O ATOM 512 CB LYS A 182 -1.533 -7.515 -5.518 1.00 0.32 C ATOM 513 CG LYS A 182 -0.295 -8.132 -6.131 1.00 0.75 C ATOM 514 CD LYS A 182 -0.416 -8.281 -7.638 1.00 0.76 C ATOM 515 CE LYS A 182 -1.458 -9.306 -8.035 1.00 0.80 C ATOM 516 NZ LYS A 182 -1.022 -10.698 -7.737 1.00 1.15 N ATOM 0 H LYS A 182 0.147 -5.795 -4.621 1.00 0.18 H new ATOM 0 HA LYS A 182 -2.364 -6.807 -3.715 1.00 0.22 H new ATOM 0 HB2 LYS A 182 -2.363 -8.214 -5.620 1.00 0.32 H new ATOM 0 HB3 LYS A 182 -1.798 -6.621 -6.082 1.00 0.32 H new ATOM 0 HG2 LYS A 182 0.571 -7.514 -5.897 1.00 0.75 H new ATOM 0 HG3 LYS A 182 -0.119 -9.110 -5.684 1.00 0.75 H new ATOM 0 HD2 LYS A 182 -0.673 -7.317 -8.076 1.00 0.76 H new ATOM 0 HD3 LYS A 182 0.550 -8.571 -8.050 1.00 0.76 H new ATOM 0 HE2 LYS A 182 -2.389 -9.098 -7.507 1.00 0.80 H new ATOM 0 HE3 LYS A 182 -1.668 -9.213 -9.101 1.00 0.80 H new ATOM 0 HZ1 LYS A 182 -1.711 -11.370 -8.132 1.00 1.15 H new ATOM 0 HZ2 LYS A 182 -0.089 -10.868 -8.164 1.00 1.15 H new ATOM 0 HZ3 LYS A 182 -0.961 -10.830 -6.707 1.00 1.15 H new ATOM 530 N LYS A 183 0.407 -8.495 -3.168 1.00 0.22 N ATOM 531 CA LYS A 183 1.004 -9.471 -2.276 1.00 0.25 C ATOM 532 C LYS A 183 0.737 -9.064 -0.830 1.00 0.23 C ATOM 533 O LYS A 183 0.511 -9.914 0.023 1.00 0.26 O ATOM 534 CB LYS A 183 2.503 -9.594 -2.558 1.00 0.33 C ATOM 535 CG LYS A 183 3.243 -10.549 -1.634 1.00 0.40 C ATOM 536 CD LYS A 183 3.869 -9.823 -0.454 1.00 1.18 C ATOM 537 CE LYS A 183 5.239 -10.384 -0.108 1.00 1.31 C ATOM 538 NZ LYS A 183 6.196 -10.267 -1.241 1.00 1.80 N ATOM 0 H LYS A 183 1.077 -7.960 -3.721 1.00 0.22 H new ATOM 0 HA LYS A 183 0.556 -10.450 -2.445 1.00 0.25 H new ATOM 0 HB2 LYS A 183 2.640 -9.925 -3.587 1.00 0.33 H new ATOM 0 HB3 LYS A 183 2.957 -8.606 -2.478 1.00 0.33 H new ATOM 0 HG2 LYS A 183 2.552 -11.309 -1.268 1.00 0.40 H new ATOM 0 HG3 LYS A 183 4.020 -11.068 -2.195 1.00 0.40 H new ATOM 0 HD2 LYS A 183 3.959 -8.762 -0.686 1.00 1.18 H new ATOM 0 HD3 LYS A 183 3.213 -9.905 0.413 1.00 1.18 H new ATOM 0 HE2 LYS A 183 5.638 -9.856 0.758 1.00 1.31 H new ATOM 0 HE3 LYS A 183 5.140 -11.432 0.175 1.00 1.31 H new ATOM 0 HZ1 LYS A 183 7.160 -10.147 -0.870 1.00 1.80 H new ATOM 0 HZ2 LYS A 183 6.153 -11.128 -1.822 1.00 1.80 H new ATOM 0 HZ3 LYS A 183 5.945 -9.443 -1.824 1.00 1.80 H new ATOM 552 N ALA A 184 0.756 -7.757 -0.566 1.00 0.23 N ATOM 553 CA ALA A 184 0.371 -7.235 0.749 1.00 0.26 C ATOM 554 C ALA A 184 -1.014 -7.740 1.158 1.00 0.25 C ATOM 555 O ALA A 184 -1.171 -8.338 2.225 1.00 0.29 O ATOM 556 CB ALA A 184 0.382 -5.719 0.733 1.00 0.30 C ATOM 0 H ALA A 184 1.032 -7.043 -1.240 1.00 0.23 H new ATOM 0 HA ALA A 184 1.096 -7.593 1.480 1.00 0.26 H new ATOM 0 HB1 ALA A 184 0.094 -5.343 1.715 1.00 0.30 H new ATOM 0 HB2 ALA A 184 1.383 -5.365 0.488 1.00 0.30 H new ATOM 0 HB3 ALA A 184 -0.324 -5.358 -0.015 1.00 0.30 H new ATOM 562 N LEU A 185 -2.011 -7.492 0.306 1.00 0.23 N ATOM 563 CA LEU A 185 -3.371 -7.982 0.538 1.00 0.26 C ATOM 564 C LEU A 185 -3.371 -9.490 0.767 1.00 0.24 C ATOM 565 O LEU A 185 -3.921 -9.978 1.754 1.00 0.27 O ATOM 566 CB LEU A 185 -4.291 -7.655 -0.649 1.00 0.31 C ATOM 567 CG LEU A 185 -4.927 -6.254 -0.668 1.00 0.50 C ATOM 568 CD1 LEU A 185 -5.622 -5.941 0.639 1.00 1.46 C ATOM 569 CD2 LEU A 185 -3.911 -5.187 -0.979 1.00 1.11 C ATOM 0 H LEU A 185 -1.901 -6.953 -0.553 1.00 0.23 H new ATOM 0 HA LEU A 185 -3.748 -7.479 1.428 1.00 0.26 H new ATOM 0 HB2 LEU A 185 -3.718 -7.780 -1.568 1.00 0.31 H new ATOM 0 HB3 LEU A 185 -5.093 -8.393 -0.670 1.00 0.31 H new ATOM 0 HG LEU A 185 -5.673 -6.260 -1.463 1.00 0.50 H new ATOM 0 HD11 LEU A 185 -6.059 -4.944 0.589 1.00 1.46 H new ATOM 0 HD12 LEU A 185 -6.409 -6.674 0.817 1.00 1.46 H new ATOM 0 HD13 LEU A 185 -4.899 -5.980 1.454 1.00 1.46 H new ATOM 0 HD21 LEU A 185 -4.398 -4.212 -0.984 1.00 1.11 H new ATOM 0 HD22 LEU A 185 -3.128 -5.198 -0.221 1.00 1.11 H new ATOM 0 HD23 LEU A 185 -3.471 -5.378 -1.958 1.00 1.11 H new ATOM 581 N MET A 186 -2.723 -10.221 -0.132 1.00 0.22 N ATOM 582 CA MET A 186 -2.774 -11.680 -0.117 1.00 0.26 C ATOM 583 C MET A 186 -2.011 -12.275 1.063 1.00 0.29 C ATOM 584 O MET A 186 -2.271 -13.405 1.468 1.00 0.34 O ATOM 585 CB MET A 186 -2.253 -12.248 -1.433 1.00 0.30 C ATOM 586 CG MET A 186 -3.085 -11.816 -2.625 1.00 0.35 C ATOM 587 SD MET A 186 -2.825 -12.836 -4.086 1.00 0.98 S ATOM 588 CE MET A 186 -4.084 -12.160 -5.168 1.00 1.45 C ATOM 0 H MET A 186 -2.155 -9.828 -0.882 1.00 0.22 H new ATOM 0 HA MET A 186 -3.820 -11.963 0.002 1.00 0.26 H new ATOM 0 HB2 MET A 186 -1.221 -11.928 -1.580 1.00 0.30 H new ATOM 0 HB3 MET A 186 -2.244 -13.336 -1.376 1.00 0.30 H new ATOM 0 HG2 MET A 186 -4.140 -11.847 -2.353 1.00 0.35 H new ATOM 0 HG3 MET A 186 -2.848 -10.780 -2.867 1.00 0.35 H new ATOM 0 HE1 MET A 186 -4.061 -12.683 -6.124 1.00 1.45 H new ATOM 0 HE2 MET A 186 -5.064 -12.287 -4.709 1.00 1.45 H new ATOM 0 HE3 MET A 186 -3.893 -11.099 -5.330 1.00 1.45 H new ATOM 598 N MET A 187 -1.081 -11.515 1.622 1.00 0.30 N ATOM 599 CA MET A 187 -0.352 -11.962 2.805 1.00 0.37 C ATOM 600 C MET A 187 -1.228 -11.831 4.039 1.00 0.40 C ATOM 601 O MET A 187 -0.974 -12.450 5.069 1.00 0.53 O ATOM 602 CB MET A 187 0.943 -11.166 3.000 1.00 0.44 C ATOM 603 CG MET A 187 2.068 -11.579 2.066 1.00 0.49 C ATOM 604 SD MET A 187 2.443 -13.339 2.168 1.00 0.72 S ATOM 605 CE MET A 187 3.821 -13.434 1.032 1.00 0.85 C ATOM 0 H MET A 187 -0.813 -10.592 1.280 1.00 0.30 H new ATOM 0 HA MET A 187 -0.087 -13.009 2.657 1.00 0.37 H new ATOM 0 HB2 MET A 187 0.732 -10.107 2.852 1.00 0.44 H new ATOM 0 HB3 MET A 187 1.278 -11.284 4.030 1.00 0.44 H new ATOM 0 HG2 MET A 187 1.795 -11.328 1.041 1.00 0.49 H new ATOM 0 HG3 MET A 187 2.964 -11.006 2.306 1.00 0.49 H new ATOM 0 HE1 MET A 187 3.961 -14.468 0.715 1.00 0.85 H new ATOM 0 HE2 MET A 187 3.618 -12.812 0.161 1.00 0.85 H new ATOM 0 HE3 MET A 187 4.726 -13.081 1.527 1.00 0.85 H new ATOM 615 N ARG A 188 -2.264 -11.016 3.917 1.00 0.35 N ATOM 616 CA ARG A 188 -3.214 -10.807 4.994 1.00 0.41 C ATOM 617 C ARG A 188 -4.437 -11.695 4.783 1.00 0.41 C ATOM 618 O ARG A 188 -5.275 -11.854 5.671 1.00 0.50 O ATOM 619 CB ARG A 188 -3.625 -9.336 5.022 1.00 0.47 C ATOM 620 CG ARG A 188 -4.302 -8.898 6.287 1.00 0.79 C ATOM 621 CD ARG A 188 -3.327 -8.819 7.425 1.00 0.63 C ATOM 622 NE ARG A 188 -3.236 -10.078 8.164 1.00 1.20 N ATOM 623 CZ ARG A 188 -2.202 -10.430 8.927 1.00 1.43 C ATOM 624 NH1 ARG A 188 -1.150 -9.629 9.041 1.00 1.42 N ATOM 625 NH2 ARG A 188 -2.223 -11.589 9.574 1.00 2.12 N ATOM 0 H ARG A 188 -2.468 -10.483 3.071 1.00 0.35 H new ATOM 0 HA ARG A 188 -2.754 -11.069 5.947 1.00 0.41 H new ATOM 0 HB2 ARG A 188 -2.737 -8.722 4.870 1.00 0.47 H new ATOM 0 HB3 ARG A 188 -4.294 -9.144 4.183 1.00 0.47 H new ATOM 0 HG2 ARG A 188 -4.767 -7.924 6.135 1.00 0.79 H new ATOM 0 HG3 ARG A 188 -5.100 -9.597 6.536 1.00 0.79 H new ATOM 0 HD2 ARG A 188 -2.342 -8.554 7.040 1.00 0.63 H new ATOM 0 HD3 ARG A 188 -3.628 -8.022 8.105 1.00 0.63 H new ATOM 0 HE ARG A 188 -4.017 -10.730 8.090 1.00 1.20 H new ATOM 0 HH11 ARG A 188 -1.130 -8.739 8.543 1.00 1.42 H new ATOM 0 HH12 ARG A 188 -0.361 -9.903 9.626 1.00 1.42 H new ATOM 0 HH21 ARG A 188 -3.029 -12.208 9.486 1.00 2.12 H new ATOM 0 HH22 ARG A 188 -1.433 -11.861 10.159 1.00 2.12 H new ATOM 639 N GLY A 189 -4.519 -12.270 3.591 1.00 0.37 N ATOM 640 CA GLY A 189 -5.640 -13.119 3.234 1.00 0.42 C ATOM 641 C GLY A 189 -6.718 -12.353 2.497 1.00 0.43 C ATOM 642 O GLY A 189 -7.871 -12.781 2.440 1.00 0.53 O ATOM 0 H GLY A 189 -3.820 -12.162 2.856 1.00 0.37 H new ATOM 0 HA2 GLY A 189 -5.288 -13.941 2.610 1.00 0.42 H new ATOM 0 HA3 GLY A 189 -6.062 -13.561 4.136 1.00 0.42 H new ATOM 646 N LEU A 190 -6.340 -11.209 1.942 1.00 0.37 N ATOM 647 CA LEU A 190 -7.280 -10.323 1.262 1.00 0.40 C ATOM 648 C LEU A 190 -6.919 -10.196 -0.216 1.00 0.35 C ATOM 649 O LEU A 190 -5.874 -10.679 -0.650 1.00 0.37 O ATOM 650 CB LEU A 190 -7.241 -8.932 1.905 1.00 0.45 C ATOM 651 CG LEU A 190 -7.084 -8.902 3.428 1.00 0.61 C ATOM 652 CD1 LEU A 190 -7.117 -7.477 3.944 1.00 1.05 C ATOM 653 CD2 LEU A 190 -8.152 -9.742 4.099 1.00 1.28 C ATOM 0 H LEU A 190 -5.378 -10.869 1.949 1.00 0.37 H new ATOM 0 HA LEU A 190 -8.280 -10.747 1.353 1.00 0.40 H new ATOM 0 HB2 LEU A 190 -6.417 -8.372 1.463 1.00 0.45 H new ATOM 0 HB3 LEU A 190 -8.160 -8.407 1.644 1.00 0.45 H new ATOM 0 HG LEU A 190 -6.113 -9.331 3.676 1.00 0.61 H new ATOM 0 HD11 LEU A 190 -7.004 -7.480 5.028 1.00 1.05 H new ATOM 0 HD12 LEU A 190 -6.302 -6.909 3.496 1.00 1.05 H new ATOM 0 HD13 LEU A 190 -8.069 -7.016 3.680 1.00 1.05 H new ATOM 0 HD21 LEU A 190 -8.019 -9.704 5.180 1.00 1.28 H new ATOM 0 HD22 LEU A 190 -9.137 -9.352 3.841 1.00 1.28 H new ATOM 0 HD23 LEU A 190 -8.070 -10.774 3.759 1.00 1.28 H new ATOM 665 N ILE A 191 -7.785 -9.546 -0.987 1.00 0.37 N ATOM 666 CA ILE A 191 -7.492 -9.248 -2.379 1.00 0.35 C ATOM 667 C ILE A 191 -7.549 -7.743 -2.632 1.00 0.36 C ATOM 668 O ILE A 191 -8.380 -7.030 -2.060 1.00 0.39 O ATOM 669 CB ILE A 191 -8.460 -9.961 -3.347 1.00 0.39 C ATOM 670 CG1 ILE A 191 -9.895 -9.461 -3.161 1.00 0.45 C ATOM 671 CG2 ILE A 191 -8.389 -11.462 -3.132 1.00 0.41 C ATOM 672 CD1 ILE A 191 -10.834 -9.906 -4.254 1.00 0.52 C ATOM 0 H ILE A 191 -8.696 -9.216 -0.668 1.00 0.37 H new ATOM 0 HA ILE A 191 -6.485 -9.618 -2.571 1.00 0.35 H new ATOM 0 HB ILE A 191 -8.158 -9.731 -4.369 1.00 0.39 H new ATOM 0 HG12 ILE A 191 -10.273 -9.815 -2.202 1.00 0.45 H new ATOM 0 HG13 ILE A 191 -9.889 -8.372 -3.119 1.00 0.45 H new ATOM 0 HG21 ILE A 191 -9.074 -11.961 -3.818 1.00 0.41 H new ATOM 0 HG22 ILE A 191 -7.373 -11.809 -3.319 1.00 0.41 H new ATOM 0 HG23 ILE A 191 -8.669 -11.696 -2.105 1.00 0.41 H new ATOM 0 HD11 ILE A 191 -11.832 -9.515 -4.057 1.00 0.52 H new ATOM 0 HD12 ILE A 191 -10.480 -9.530 -5.214 1.00 0.52 H new ATOM 0 HD13 ILE A 191 -10.870 -10.995 -4.282 1.00 0.52 H new ATOM 684 N PRO A 192 -6.648 -7.242 -3.488 1.00 0.39 N ATOM 685 CA PRO A 192 -6.552 -5.813 -3.811 1.00 0.43 C ATOM 686 C PRO A 192 -7.661 -5.338 -4.740 1.00 0.41 C ATOM 687 O PRO A 192 -7.871 -4.138 -4.904 1.00 0.46 O ATOM 688 CB PRO A 192 -5.200 -5.710 -4.512 1.00 0.52 C ATOM 689 CG PRO A 192 -5.005 -7.043 -5.139 1.00 0.48 C ATOM 690 CD PRO A 192 -5.628 -8.036 -4.197 1.00 0.43 C ATOM 0 HA PRO A 192 -6.648 -5.191 -2.921 1.00 0.43 H new ATOM 0 HB2 PRO A 192 -5.199 -4.916 -5.259 1.00 0.52 H new ATOM 0 HB3 PRO A 192 -4.402 -5.483 -3.805 1.00 0.52 H new ATOM 0 HG2 PRO A 192 -5.477 -7.086 -6.120 1.00 0.48 H new ATOM 0 HG3 PRO A 192 -3.946 -7.255 -5.285 1.00 0.48 H new ATOM 0 HD2 PRO A 192 -6.073 -8.874 -4.733 1.00 0.43 H new ATOM 0 HD3 PRO A 192 -4.893 -8.452 -3.508 1.00 0.43 H new ATOM 698 N GLU A 193 -8.374 -6.287 -5.334 1.00 0.39 N ATOM 699 CA GLU A 193 -9.431 -5.976 -6.287 1.00 0.43 C ATOM 700 C GLU A 193 -10.521 -5.134 -5.636 1.00 0.36 C ATOM 701 O GLU A 193 -11.022 -4.179 -6.227 1.00 0.45 O ATOM 702 CB GLU A 193 -10.036 -7.264 -6.839 1.00 0.57 C ATOM 703 CG GLU A 193 -9.011 -8.204 -7.450 1.00 0.99 C ATOM 704 CD GLU A 193 -9.637 -9.467 -7.998 1.00 1.20 C ATOM 705 OE1 GLU A 193 -9.232 -10.570 -7.575 1.00 1.73 O ATOM 706 OE2 GLU A 193 -10.546 -9.361 -8.846 1.00 1.74 O ATOM 0 H GLU A 193 -8.238 -7.285 -5.171 1.00 0.39 H new ATOM 0 HA GLU A 193 -8.993 -5.403 -7.104 1.00 0.43 H new ATOM 0 HB2 GLU A 193 -10.559 -7.783 -6.036 1.00 0.57 H new ATOM 0 HB3 GLU A 193 -10.781 -7.011 -7.594 1.00 0.57 H new ATOM 0 HG2 GLU A 193 -8.481 -7.688 -8.251 1.00 0.99 H new ATOM 0 HG3 GLU A 193 -8.270 -8.468 -6.696 1.00 0.99 H new ATOM 713 N CYS A 194 -10.868 -5.485 -4.408 1.00 0.33 N ATOM 714 CA CYS A 194 -11.920 -4.790 -3.683 1.00 0.36 C ATOM 715 C CYS A 194 -11.333 -3.691 -2.796 1.00 0.33 C ATOM 716 O CYS A 194 -12.043 -3.069 -2.008 1.00 0.49 O ATOM 717 CB CYS A 194 -12.718 -5.795 -2.841 1.00 0.48 C ATOM 718 SG CYS A 194 -14.200 -5.115 -2.057 1.00 1.69 S ATOM 0 H CYS A 194 -10.435 -6.250 -3.891 1.00 0.33 H new ATOM 0 HA CYS A 194 -12.590 -4.318 -4.402 1.00 0.36 H new ATOM 0 HB2 CYS A 194 -13.011 -6.630 -3.477 1.00 0.48 H new ATOM 0 HB3 CYS A 194 -12.066 -6.198 -2.066 1.00 0.48 H new ATOM 0 HG CYS A 194 -13.956 -3.907 -1.643 1.00 1.69 H new ATOM 724 N CYS A 195 -10.040 -3.435 -2.942 1.00 0.27 N ATOM 725 CA CYS A 195 -9.358 -2.467 -2.096 1.00 0.25 C ATOM 726 C CYS A 195 -8.840 -1.292 -2.922 1.00 0.23 C ATOM 727 O CYS A 195 -8.694 -1.397 -4.140 1.00 0.29 O ATOM 728 CB CYS A 195 -8.210 -3.155 -1.341 1.00 0.28 C ATOM 729 SG CYS A 195 -8.761 -4.475 -0.234 1.00 0.52 S ATOM 0 H CYS A 195 -9.444 -3.884 -3.637 1.00 0.27 H new ATOM 0 HA CYS A 195 -10.069 -2.072 -1.370 1.00 0.25 H new ATOM 0 HB2 CYS A 195 -7.507 -3.568 -2.064 1.00 0.28 H new ATOM 0 HB3 CYS A 195 -7.668 -2.408 -0.761 1.00 0.28 H new ATOM 0 HG CYS A 195 -8.669 -5.619 -0.844 1.00 0.52 H new ATOM 735 N ALA A 196 -8.611 -0.163 -2.262 1.00 0.26 N ATOM 736 CA ALA A 196 -8.008 1.002 -2.897 1.00 0.26 C ATOM 737 C ALA A 196 -6.826 1.485 -2.081 1.00 0.25 C ATOM 738 O ALA A 196 -6.746 1.218 -0.883 1.00 0.39 O ATOM 739 CB ALA A 196 -9.011 2.126 -3.045 1.00 0.37 C ATOM 0 H ALA A 196 -8.837 -0.030 -1.276 1.00 0.26 H new ATOM 0 HA ALA A 196 -7.672 0.705 -3.891 1.00 0.26 H new ATOM 0 HB1 ALA A 196 -8.532 2.981 -3.522 1.00 0.37 H new ATOM 0 HB2 ALA A 196 -9.847 1.790 -3.659 1.00 0.37 H new ATOM 0 HB3 ALA A 196 -9.378 2.418 -2.061 1.00 0.37 H new ATOM 745 N VAL A 197 -5.923 2.204 -2.719 1.00 0.23 N ATOM 746 CA VAL A 197 -4.743 2.709 -2.031 1.00 0.23 C ATOM 747 C VAL A 197 -4.711 4.223 -2.063 1.00 0.24 C ATOM 748 O VAL A 197 -4.752 4.839 -3.130 1.00 0.36 O ATOM 749 CB VAL A 197 -3.428 2.196 -2.644 1.00 0.29 C ATOM 750 CG1 VAL A 197 -2.244 2.523 -1.746 1.00 0.94 C ATOM 751 CG2 VAL A 197 -3.498 0.712 -2.929 1.00 1.06 C ATOM 0 H VAL A 197 -5.980 2.452 -3.707 1.00 0.23 H new ATOM 0 HA VAL A 197 -4.818 2.342 -1.007 1.00 0.23 H new ATOM 0 HB VAL A 197 -3.282 2.710 -3.594 1.00 0.29 H new ATOM 0 HG11 VAL A 197 -1.327 2.150 -2.202 1.00 0.94 H new ATOM 0 HG12 VAL A 197 -2.172 3.603 -1.618 1.00 0.94 H new ATOM 0 HG13 VAL A 197 -2.384 2.051 -0.774 1.00 0.94 H new ATOM 0 HG21 VAL A 197 -2.554 0.380 -3.361 1.00 1.06 H new ATOM 0 HG22 VAL A 197 -3.682 0.171 -2.001 1.00 1.06 H new ATOM 0 HG23 VAL A 197 -4.308 0.514 -3.631 1.00 1.06 H new ATOM 761 N TYR A 198 -4.632 4.815 -0.894 1.00 0.29 N ATOM 762 CA TYR A 198 -4.489 6.249 -0.773 1.00 0.37 C ATOM 763 C TYR A 198 -3.815 6.612 0.548 1.00 0.45 C ATOM 764 O TYR A 198 -3.820 5.835 1.497 1.00 0.88 O ATOM 765 CB TYR A 198 -5.826 6.957 -0.991 1.00 0.93 C ATOM 766 CG TYR A 198 -6.919 6.646 -0.031 1.00 0.33 C ATOM 767 CD1 TYR A 198 -7.022 7.408 1.083 1.00 0.69 C ATOM 768 CD2 TYR A 198 -7.859 5.652 -0.260 1.00 0.53 C ATOM 769 CE1 TYR A 198 -8.038 7.220 1.991 1.00 1.46 C ATOM 770 CE2 TYR A 198 -8.884 5.436 0.640 1.00 1.18 C ATOM 771 CZ TYR A 198 -8.970 6.228 1.766 1.00 1.70 C ATOM 772 OH TYR A 198 -10.003 6.046 2.659 1.00 2.49 O ATOM 0 H TYR A 198 -4.665 4.320 -0.003 1.00 0.29 H new ATOM 0 HA TYR A 198 -3.830 6.609 -1.564 1.00 0.37 H new ATOM 0 HB2 TYR A 198 -5.648 8.032 -0.965 1.00 0.93 H new ATOM 0 HB3 TYR A 198 -6.177 6.716 -1.994 1.00 0.93 H new ATOM 0 HD1 TYR A 198 -6.290 8.181 1.263 1.00 0.69 H new ATOM 0 HD2 TYR A 198 -7.789 5.042 -1.149 1.00 0.53 H new ATOM 0 HE1 TYR A 198 -8.105 7.843 2.871 1.00 1.46 H new ATOM 0 HE2 TYR A 198 -9.610 4.656 0.464 1.00 1.18 H new ATOM 0 HH TYR A 198 -10.695 5.486 2.249 1.00 2.49 H new ATOM 934 N ILE A 208 -3.469 7.573 -4.040 1.00 0.36 N ATOM 935 CA ILE A 208 -2.357 7.141 -4.873 1.00 0.36 C ATOM 936 C ILE A 208 -2.907 6.388 -6.075 1.00 0.32 C ATOM 937 O ILE A 208 -4.071 5.981 -6.083 1.00 0.44 O ATOM 938 CB ILE A 208 -1.365 6.205 -4.131 1.00 0.42 C ATOM 939 CG1 ILE A 208 -1.257 6.544 -2.642 1.00 0.56 C ATOM 940 CG2 ILE A 208 0.015 6.268 -4.776 1.00 0.52 C ATOM 941 CD1 ILE A 208 -0.951 7.995 -2.336 1.00 0.90 C ATOM 0 HA ILE A 208 -1.811 8.038 -5.165 1.00 0.36 H new ATOM 0 HB ILE A 208 -1.759 5.192 -4.215 1.00 0.42 H new ATOM 0 HG12 ILE A 208 -2.194 6.276 -2.155 1.00 0.56 H new ATOM 0 HG13 ILE A 208 -0.478 5.923 -2.199 1.00 0.56 H new ATOM 0 HG21 ILE A 208 0.697 5.606 -4.242 1.00 0.52 H new ATOM 0 HG22 ILE A 208 -0.055 5.954 -5.817 1.00 0.52 H new ATOM 0 HG23 ILE A 208 0.392 7.290 -4.730 1.00 0.52 H new ATOM 0 HD11 ILE A 208 -0.894 8.135 -1.257 1.00 0.90 H new ATOM 0 HD12 ILE A 208 0.002 8.269 -2.788 1.00 0.90 H new ATOM 0 HD13 ILE A 208 -1.740 8.627 -2.743 1.00 0.90 H new ATOM 953 N GLY A 209 -2.081 6.212 -7.082 1.00 0.34 N ATOM 954 CA GLY A 209 -2.483 5.443 -8.235 1.00 0.37 C ATOM 955 C GLY A 209 -1.968 4.026 -8.153 1.00 0.31 C ATOM 956 O GLY A 209 -0.825 3.804 -7.758 1.00 0.33 O ATOM 0 H GLY A 209 -1.134 6.588 -7.125 1.00 0.34 H new ATOM 0 HA2 GLY A 209 -3.571 5.434 -8.308 1.00 0.37 H new ATOM 0 HA3 GLY A 209 -2.107 5.918 -9.141 1.00 0.37 H new ATOM 960 N TRP A 210 -2.800 3.065 -8.519 1.00 0.29 N ATOM 961 CA TRP A 210 -2.392 1.666 -8.517 1.00 0.27 C ATOM 962 C TRP A 210 -1.343 1.420 -9.599 1.00 0.27 C ATOM 963 O TRP A 210 -0.604 0.437 -9.557 1.00 0.30 O ATOM 964 CB TRP A 210 -3.599 0.749 -8.736 1.00 0.31 C ATOM 965 CG TRP A 210 -4.500 0.630 -7.542 1.00 0.28 C ATOM 966 CD1 TRP A 210 -5.451 1.520 -7.131 1.00 0.31 C ATOM 967 CD2 TRP A 210 -4.537 -0.454 -6.610 1.00 0.26 C ATOM 968 NE1 TRP A 210 -6.074 1.056 -5.995 1.00 0.30 N ATOM 969 CE2 TRP A 210 -5.527 -0.155 -5.656 1.00 0.26 C ATOM 970 CE3 TRP A 210 -3.825 -1.650 -6.489 1.00 0.29 C ATOM 971 CZ2 TRP A 210 -5.818 -1.010 -4.598 1.00 0.26 C ATOM 972 CZ3 TRP A 210 -4.119 -2.495 -5.437 1.00 0.31 C ATOM 973 CH2 TRP A 210 -5.108 -2.169 -4.502 1.00 0.29 C ATOM 0 H TRP A 210 -3.761 3.225 -8.821 1.00 0.29 H new ATOM 0 HA TRP A 210 -1.957 1.438 -7.544 1.00 0.27 H new ATOM 0 HB2 TRP A 210 -4.179 1.124 -9.580 1.00 0.31 H new ATOM 0 HB3 TRP A 210 -3.243 -0.244 -9.010 1.00 0.31 H new ATOM 0 HD1 TRP A 210 -5.681 2.452 -7.626 1.00 0.31 H new ATOM 0 HE1 TRP A 210 -6.819 1.534 -5.489 1.00 0.30 H new ATOM 0 HE3 TRP A 210 -3.059 -1.909 -7.205 1.00 0.29 H new ATOM 0 HZ2 TRP A 210 -6.582 -0.763 -3.876 1.00 0.26 H new ATOM 0 HZ3 TRP A 210 -3.576 -3.423 -5.334 1.00 0.31 H new ATOM 0 HH2 TRP A 210 -5.312 -2.849 -3.689 1.00 0.29 H new ATOM 984 N ASP A 211 -1.278 2.341 -10.554 1.00 0.27 N ATOM 985 CA ASP A 211 -0.325 2.256 -11.654 1.00 0.29 C ATOM 986 C ASP A 211 0.925 3.064 -11.328 1.00 0.25 C ATOM 987 O ASP A 211 1.812 3.237 -12.167 1.00 0.32 O ATOM 988 CB ASP A 211 -0.955 2.772 -12.952 1.00 0.39 C ATOM 989 CG ASP A 211 -2.149 1.951 -13.400 1.00 1.49 C ATOM 990 OD1 ASP A 211 -3.277 2.232 -12.943 1.00 2.30 O ATOM 991 OD2 ASP A 211 -1.970 1.026 -14.219 1.00 2.30 O ATOM 0 H ASP A 211 -1.881 3.163 -10.588 1.00 0.27 H new ATOM 0 HA ASP A 211 -0.049 1.211 -11.791 1.00 0.29 H new ATOM 0 HB2 ASP A 211 -1.265 3.807 -12.812 1.00 0.39 H new ATOM 0 HB3 ASP A 211 -0.203 2.769 -13.741 1.00 0.39 H new ATOM 996 N THR A 212 0.983 3.559 -10.103 1.00 0.23 N ATOM 997 CA THR A 212 2.119 4.328 -9.632 1.00 0.23 C ATOM 998 C THR A 212 3.200 3.398 -9.085 1.00 0.21 C ATOM 999 O THR A 212 2.897 2.355 -8.503 1.00 0.26 O ATOM 1000 CB THR A 212 1.669 5.327 -8.544 1.00 0.25 C ATOM 1001 OG1 THR A 212 0.716 6.242 -9.100 1.00 0.30 O ATOM 1002 CG2 THR A 212 2.844 6.107 -7.965 1.00 0.31 C ATOM 0 H THR A 212 0.245 3.439 -9.409 1.00 0.23 H new ATOM 0 HA THR A 212 2.536 4.887 -10.470 1.00 0.23 H new ATOM 0 HB THR A 212 1.217 4.755 -7.734 1.00 0.25 H new ATOM 0 HG1 THR A 212 0.429 6.875 -8.409 1.00 0.30 H new ATOM 0 HG21 THR A 212 2.482 6.798 -7.204 1.00 0.31 H new ATOM 0 HG22 THR A 212 3.556 5.414 -7.517 1.00 0.31 H new ATOM 0 HG23 THR A 212 3.335 6.668 -8.760 1.00 0.31 H new ATOM 1010 N ASP A 213 4.454 3.772 -9.302 1.00 0.23 N ATOM 1011 CA ASP A 213 5.594 2.979 -8.853 1.00 0.25 C ATOM 1012 C ASP A 213 5.723 3.011 -7.340 1.00 0.23 C ATOM 1013 O ASP A 213 5.765 4.081 -6.733 1.00 0.29 O ATOM 1014 CB ASP A 213 6.887 3.510 -9.469 1.00 0.32 C ATOM 1015 CG ASP A 213 7.007 3.214 -10.947 1.00 0.93 C ATOM 1016 OD1 ASP A 213 6.596 4.060 -11.766 1.00 1.73 O ATOM 1017 OD2 ASP A 213 7.535 2.141 -11.301 1.00 1.66 O ATOM 0 H ASP A 213 4.710 4.629 -9.792 1.00 0.23 H new ATOM 0 HA ASP A 213 5.425 1.951 -9.174 1.00 0.25 H new ATOM 0 HB2 ASP A 213 6.939 4.588 -9.315 1.00 0.32 H new ATOM 0 HB3 ASP A 213 7.738 3.072 -8.947 1.00 0.32 H new ATOM 1022 N ILE A 214 5.812 1.832 -6.735 1.00 0.23 N ATOM 1023 CA ILE A 214 5.965 1.732 -5.289 1.00 0.21 C ATOM 1024 C ILE A 214 7.373 2.149 -4.865 1.00 0.19 C ATOM 1025 O ILE A 214 7.584 2.636 -3.756 1.00 0.21 O ATOM 1026 CB ILE A 214 5.650 0.307 -4.763 1.00 0.22 C ATOM 1027 CG1 ILE A 214 5.933 0.236 -3.259 1.00 0.24 C ATOM 1028 CG2 ILE A 214 6.441 -0.753 -5.523 1.00 0.26 C ATOM 1029 CD1 ILE A 214 5.690 -1.118 -2.647 1.00 0.29 C ATOM 0 H ILE A 214 5.781 0.936 -7.221 1.00 0.23 H new ATOM 0 HA ILE A 214 5.240 2.414 -4.845 1.00 0.21 H new ATOM 0 HB ILE A 214 4.593 0.100 -4.931 1.00 0.22 H new ATOM 0 HG12 ILE A 214 6.970 0.521 -3.082 1.00 0.24 H new ATOM 0 HG13 ILE A 214 5.309 0.970 -2.749 1.00 0.24 H new ATOM 0 HG21 ILE A 214 6.197 -1.740 -5.130 1.00 0.26 H new ATOM 0 HG22 ILE A 214 6.183 -0.710 -6.581 1.00 0.26 H new ATOM 0 HG23 ILE A 214 7.508 -0.567 -5.401 1.00 0.26 H new ATOM 0 HD11 ILE A 214 5.914 -1.081 -1.581 1.00 0.29 H new ATOM 0 HD12 ILE A 214 4.647 -1.399 -2.789 1.00 0.29 H new ATOM 0 HD13 ILE A 214 6.333 -1.855 -3.128 1.00 0.29 H new ATOM 1041 N SER A 215 8.333 1.988 -5.765 1.00 0.21 N ATOM 1042 CA SER A 215 9.710 2.376 -5.491 1.00 0.23 C ATOM 1043 C SER A 215 9.829 3.900 -5.381 1.00 0.25 C ATOM 1044 O SER A 215 10.820 4.425 -4.873 1.00 0.31 O ATOM 1045 CB SER A 215 10.631 1.830 -6.588 1.00 0.31 C ATOM 1046 OG SER A 215 11.989 2.165 -6.357 1.00 1.07 O ATOM 0 H SER A 215 8.184 1.591 -6.693 1.00 0.21 H new ATOM 0 HA SER A 215 10.016 1.949 -4.536 1.00 0.23 H new ATOM 0 HB2 SER A 215 10.529 0.746 -6.641 1.00 0.31 H new ATOM 0 HB3 SER A 215 10.319 2.227 -7.554 1.00 0.31 H new ATOM 0 HG SER A 215 12.521 1.940 -7.149 1.00 1.07 H new ATOM 1052 N TRP A 216 8.805 4.611 -5.839 1.00 0.25 N ATOM 1053 CA TRP A 216 8.775 6.061 -5.715 1.00 0.33 C ATOM 1054 C TRP A 216 8.197 6.447 -4.357 1.00 0.33 C ATOM 1055 O TRP A 216 8.301 7.591 -3.917 1.00 0.45 O ATOM 1056 CB TRP A 216 7.936 6.675 -6.840 1.00 0.40 C ATOM 1057 CG TRP A 216 8.066 8.164 -6.938 1.00 1.13 C ATOM 1058 CD1 TRP A 216 9.221 8.874 -7.085 1.00 1.75 C ATOM 1059 CD2 TRP A 216 7.004 9.124 -6.905 1.00 1.92 C ATOM 1060 NE1 TRP A 216 8.944 10.219 -7.137 1.00 2.60 N ATOM 1061 CE2 TRP A 216 7.590 10.398 -7.030 1.00 2.73 C ATOM 1062 CE3 TRP A 216 5.614 9.032 -6.779 1.00 2.29 C ATOM 1063 CZ2 TRP A 216 6.836 11.568 -7.033 1.00 3.66 C ATOM 1064 CZ3 TRP A 216 4.867 10.195 -6.783 1.00 3.27 C ATOM 1065 CH2 TRP A 216 5.478 11.448 -6.910 1.00 3.87 C ATOM 0 H TRP A 216 7.988 4.208 -6.298 1.00 0.25 H new ATOM 0 HA TRP A 216 9.792 6.445 -5.794 1.00 0.33 H new ATOM 0 HB2 TRP A 216 8.233 6.229 -7.789 1.00 0.40 H new ATOM 0 HB3 TRP A 216 6.888 6.419 -6.682 1.00 0.40 H new ATOM 0 HD1 TRP A 216 10.209 8.442 -7.151 1.00 1.75 H new ATOM 0 HE1 TRP A 216 9.634 10.963 -7.239 1.00 2.60 H new ATOM 0 HE3 TRP A 216 5.133 8.070 -6.680 1.00 2.29 H new ATOM 0 HZ2 TRP A 216 7.306 12.536 -7.129 1.00 3.66 H new ATOM 0 HZ3 TRP A 216 3.793 10.136 -6.686 1.00 3.27 H new ATOM 0 HH2 TRP A 216 4.866 12.338 -6.911 1.00 3.87 H new ATOM 1076 N LEU A 217 7.602 5.470 -3.693 1.00 0.25 N ATOM 1077 CA LEU A 217 6.934 5.694 -2.419 1.00 0.26 C ATOM 1078 C LEU A 217 7.782 5.131 -1.283 1.00 0.24 C ATOM 1079 O LEU A 217 7.335 5.045 -0.142 1.00 0.25 O ATOM 1080 CB LEU A 217 5.556 5.027 -2.441 1.00 0.26 C ATOM 1081 CG LEU A 217 4.794 5.149 -3.771 1.00 0.47 C ATOM 1082 CD1 LEU A 217 3.456 4.434 -3.698 1.00 1.21 C ATOM 1083 CD2 LEU A 217 4.598 6.607 -4.158 1.00 0.92 C ATOM 0 H LEU A 217 7.568 4.504 -4.018 1.00 0.25 H new ATOM 0 HA LEU A 217 6.806 6.764 -2.257 1.00 0.26 H new ATOM 0 HB2 LEU A 217 5.677 3.970 -2.205 1.00 0.26 H new ATOM 0 HB3 LEU A 217 4.946 5.462 -1.649 1.00 0.26 H new ATOM 0 HG LEU A 217 5.397 4.670 -4.543 1.00 0.47 H new ATOM 0 HD11 LEU A 217 2.937 4.535 -4.651 1.00 1.21 H new ATOM 0 HD12 LEU A 217 3.619 3.378 -3.484 1.00 1.21 H new ATOM 0 HD13 LEU A 217 2.850 4.875 -2.906 1.00 1.21 H new ATOM 0 HD21 LEU A 217 4.056 6.663 -5.102 1.00 0.92 H new ATOM 0 HD22 LEU A 217 4.027 7.116 -3.381 1.00 0.92 H new ATOM 0 HD23 LEU A 217 5.570 7.088 -4.268 1.00 0.92 H new ATOM 1095 N THR A 218 9.000 4.720 -1.633 1.00 0.25 N ATOM 1096 CA THR A 218 9.979 4.201 -0.685 1.00 0.26 C ATOM 1097 C THR A 218 10.021 4.965 0.637 1.00 0.28 C ATOM 1098 O THR A 218 10.034 6.198 0.659 1.00 0.32 O ATOM 1099 CB THR A 218 11.388 4.242 -1.285 1.00 0.31 C ATOM 1100 OG1 THR A 218 11.435 3.515 -2.515 1.00 0.32 O ATOM 1101 CG2 THR A 218 12.368 3.666 -0.302 1.00 0.39 C ATOM 0 H THR A 218 9.337 4.739 -2.596 1.00 0.25 H new ATOM 0 HA THR A 218 9.660 3.179 -0.481 1.00 0.26 H new ATOM 0 HB THR A 218 11.653 5.278 -1.494 1.00 0.31 H new ATOM 0 HG1 THR A 218 11.275 4.127 -3.263 1.00 0.32 H new ATOM 0 HG21 THR A 218 13.371 3.695 -0.728 1.00 0.39 H new ATOM 0 HG22 THR A 218 12.348 4.251 0.617 1.00 0.39 H new ATOM 0 HG23 THR A 218 12.097 2.634 -0.081 1.00 0.39 H new ATOM 1109 N GLY A 219 10.053 4.211 1.735 1.00 0.30 N ATOM 1110 CA GLY A 219 10.229 4.798 3.046 1.00 0.37 C ATOM 1111 C GLY A 219 8.998 5.534 3.513 1.00 0.38 C ATOM 1112 O GLY A 219 8.998 6.166 4.568 1.00 0.53 O ATOM 0 H GLY A 219 9.959 3.195 1.734 1.00 0.30 H new ATOM 0 HA2 GLY A 219 10.475 4.014 3.763 1.00 0.37 H new ATOM 0 HA3 GLY A 219 11.074 5.486 3.023 1.00 0.37 H new ATOM 1116 N GLU A 220 7.947 5.452 2.719 1.00 0.29 N ATOM 1117 CA GLU A 220 6.694 6.112 3.041 1.00 0.29 C ATOM 1118 C GLU A 220 5.620 5.070 3.311 1.00 0.28 C ATOM 1119 O GLU A 220 5.786 3.900 2.967 1.00 0.40 O ATOM 1120 CB GLU A 220 6.286 7.060 1.906 1.00 0.36 C ATOM 1121 CG GLU A 220 7.331 8.134 1.635 1.00 1.26 C ATOM 1122 CD GLU A 220 6.886 9.158 0.610 1.00 1.53 C ATOM 1123 OE1 GLU A 220 6.231 10.147 1.001 1.00 2.02 O ATOM 1124 OE2 GLU A 220 7.199 8.994 -0.583 1.00 2.16 O ATOM 0 H GLU A 220 7.936 4.932 1.842 1.00 0.29 H new ATOM 0 HA GLU A 220 6.820 6.712 3.942 1.00 0.29 H new ATOM 0 HB2 GLU A 220 6.120 6.482 0.997 1.00 0.36 H new ATOM 0 HB3 GLU A 220 5.338 7.536 2.158 1.00 0.36 H new ATOM 0 HG2 GLU A 220 7.568 8.644 2.569 1.00 1.26 H new ATOM 0 HG3 GLU A 220 8.249 7.659 1.289 1.00 1.26 H new ATOM 1131 N GLU A 221 4.538 5.479 3.953 1.00 0.30 N ATOM 1132 CA GLU A 221 3.499 4.536 4.332 1.00 0.30 C ATOM 1133 C GLU A 221 2.222 4.772 3.547 1.00 0.31 C ATOM 1134 O GLU A 221 1.723 5.895 3.448 1.00 0.38 O ATOM 1135 CB GLU A 221 3.227 4.594 5.837 1.00 0.38 C ATOM 1136 CG GLU A 221 4.460 4.304 6.678 1.00 0.46 C ATOM 1137 CD GLU A 221 4.162 4.149 8.156 1.00 1.26 C ATOM 1138 OE1 GLU A 221 4.135 2.998 8.645 1.00 2.01 O ATOM 1139 OE2 GLU A 221 3.987 5.180 8.839 1.00 2.03 O ATOM 0 H GLU A 221 4.357 6.447 4.220 1.00 0.30 H new ATOM 0 HA GLU A 221 3.860 3.537 4.088 1.00 0.30 H new ATOM 0 HB2 GLU A 221 2.844 5.582 6.093 1.00 0.38 H new ATOM 0 HB3 GLU A 221 2.447 3.875 6.087 1.00 0.38 H new ATOM 0 HG2 GLU A 221 4.932 3.392 6.313 1.00 0.46 H new ATOM 0 HG3 GLU A 221 5.180 5.111 6.543 1.00 0.46 H new ATOM 1146 N LEU A 222 1.724 3.694 2.980 1.00 0.26 N ATOM 1147 CA LEU A 222 0.498 3.695 2.207 1.00 0.27 C ATOM 1148 C LEU A 222 -0.654 3.232 3.072 1.00 0.25 C ATOM 1149 O LEU A 222 -0.449 2.530 4.056 1.00 0.32 O ATOM 1150 CB LEU A 222 0.670 2.759 1.016 1.00 0.29 C ATOM 1151 CG LEU A 222 1.768 3.155 0.029 1.00 0.54 C ATOM 1152 CD1 LEU A 222 1.767 2.220 -1.168 1.00 1.19 C ATOM 1153 CD2 LEU A 222 1.592 4.597 -0.411 1.00 1.19 C ATOM 0 H LEU A 222 2.166 2.777 3.044 1.00 0.26 H new ATOM 0 HA LEU A 222 0.282 4.703 1.853 1.00 0.27 H new ATOM 0 HB2 LEU A 222 0.884 1.758 1.390 1.00 0.29 H new ATOM 0 HB3 LEU A 222 -0.277 2.704 0.478 1.00 0.29 H new ATOM 0 HG LEU A 222 2.733 3.068 0.529 1.00 0.54 H new ATOM 0 HD11 LEU A 222 2.555 2.516 -1.861 1.00 1.19 H new ATOM 0 HD12 LEU A 222 1.944 1.198 -0.832 1.00 1.19 H new ATOM 0 HD13 LEU A 222 0.802 2.274 -1.671 1.00 1.19 H new ATOM 0 HD21 LEU A 222 2.382 4.862 -1.113 1.00 1.19 H new ATOM 0 HD22 LEU A 222 0.622 4.714 -0.895 1.00 1.19 H new ATOM 0 HD23 LEU A 222 1.645 5.252 0.459 1.00 1.19 H new ATOM 1165 N HIS A 223 -1.862 3.630 2.723 1.00 0.24 N ATOM 1166 CA HIS A 223 -3.019 3.267 3.502 1.00 0.26 C ATOM 1167 C HIS A 223 -4.124 2.732 2.579 1.00 0.28 C ATOM 1168 O HIS A 223 -4.632 3.432 1.708 1.00 0.46 O ATOM 1169 CB HIS A 223 -3.414 4.508 4.330 1.00 0.45 C ATOM 1170 CG HIS A 223 -4.858 4.688 4.634 1.00 0.94 C ATOM 1171 ND1 HIS A 223 -5.421 4.386 5.851 1.00 1.30 N ATOM 1172 CD2 HIS A 223 -5.831 5.238 3.892 1.00 1.85 C ATOM 1173 CE1 HIS A 223 -6.686 4.744 5.844 1.00 2.26 C ATOM 1174 NE2 HIS A 223 -6.964 5.266 4.665 1.00 2.63 N ATOM 0 H HIS A 223 -2.063 4.205 1.904 1.00 0.24 H new ATOM 0 HA HIS A 223 -2.820 2.452 4.198 1.00 0.26 H new ATOM 0 HB2 HIS A 223 -2.872 4.471 5.275 1.00 0.45 H new ATOM 0 HB3 HIS A 223 -3.067 5.394 3.798 1.00 0.45 H new ATOM 0 HD2 HIS A 223 -5.739 5.592 2.876 1.00 1.85 H new ATOM 0 HE1 HIS A 223 -7.380 4.630 6.664 1.00 2.26 H new ATOM 0 HE2 HIS A 223 -7.872 5.630 4.376 1.00 2.63 H new ATOM 1183 N VAL A 224 -4.462 1.466 2.758 1.00 0.27 N ATOM 1184 CA VAL A 224 -5.439 0.800 1.908 1.00 0.34 C ATOM 1185 C VAL A 224 -6.788 0.721 2.591 1.00 0.38 C ATOM 1186 O VAL A 224 -6.885 0.437 3.788 1.00 0.51 O ATOM 1187 CB VAL A 224 -4.982 -0.624 1.516 1.00 0.55 C ATOM 1188 CG1 VAL A 224 -6.079 -1.383 0.785 1.00 0.91 C ATOM 1189 CG2 VAL A 224 -3.767 -0.551 0.631 1.00 0.97 C ATOM 0 H VAL A 224 -4.071 0.873 3.490 1.00 0.27 H new ATOM 0 HA VAL A 224 -5.527 1.399 1.001 1.00 0.34 H new ATOM 0 HB VAL A 224 -4.745 -1.156 2.437 1.00 0.55 H new ATOM 0 HG11 VAL A 224 -5.721 -2.379 0.525 1.00 0.91 H new ATOM 0 HG12 VAL A 224 -6.954 -1.468 1.429 1.00 0.91 H new ATOM 0 HG13 VAL A 224 -6.349 -0.846 -0.124 1.00 0.91 H new ATOM 0 HG21 VAL A 224 -3.453 -1.559 0.360 1.00 0.97 H new ATOM 0 HG22 VAL A 224 -4.008 0.009 -0.273 1.00 0.97 H new ATOM 0 HG23 VAL A 224 -2.959 -0.050 1.163 1.00 0.97 H new ATOM 1199 N GLU A 225 -7.818 0.984 1.814 1.00 0.38 N ATOM 1200 CA GLU A 225 -9.184 0.957 2.299 1.00 0.49 C ATOM 1201 C GLU A 225 -10.049 0.151 1.347 1.00 0.39 C ATOM 1202 O GLU A 225 -9.929 0.288 0.130 1.00 0.46 O ATOM 1203 CB GLU A 225 -9.706 2.386 2.412 1.00 0.68 C ATOM 1204 CG GLU A 225 -8.939 3.222 3.423 1.00 0.93 C ATOM 1205 CD GLU A 225 -9.397 2.982 4.849 1.00 1.32 C ATOM 1206 OE1 GLU A 225 -8.647 2.353 5.628 1.00 1.78 O ATOM 1207 OE2 GLU A 225 -10.505 3.434 5.203 1.00 1.94 O ATOM 0 H GLU A 225 -7.732 1.223 0.826 1.00 0.38 H new ATOM 0 HA GLU A 225 -9.217 0.487 3.282 1.00 0.49 H new ATOM 0 HB2 GLU A 225 -9.649 2.866 1.435 1.00 0.68 H new ATOM 0 HB3 GLU A 225 -10.759 2.361 2.694 1.00 0.68 H new ATOM 0 HG2 GLU A 225 -7.876 2.995 3.344 1.00 0.93 H new ATOM 0 HG3 GLU A 225 -9.058 4.278 3.180 1.00 0.93 H new ATOM 1214 N VAL A 226 -10.892 -0.708 1.894 1.00 0.50 N ATOM 1215 CA VAL A 226 -11.782 -1.515 1.076 1.00 0.48 C ATOM 1216 C VAL A 226 -12.825 -0.630 0.411 1.00 0.52 C ATOM 1217 O VAL A 226 -13.516 0.140 1.078 1.00 0.69 O ATOM 1218 CB VAL A 226 -12.490 -2.609 1.901 1.00 0.64 C ATOM 1219 CG1 VAL A 226 -13.238 -3.570 0.993 1.00 1.12 C ATOM 1220 CG2 VAL A 226 -11.489 -3.359 2.757 1.00 1.12 C ATOM 0 H VAL A 226 -10.979 -0.865 2.898 1.00 0.50 H new ATOM 0 HA VAL A 226 -11.171 -2.006 0.318 1.00 0.48 H new ATOM 0 HB VAL A 226 -13.214 -2.126 2.557 1.00 0.64 H new ATOM 0 HG11 VAL A 226 -13.730 -4.333 1.597 1.00 1.12 H new ATOM 0 HG12 VAL A 226 -13.987 -3.022 0.421 1.00 1.12 H new ATOM 0 HG13 VAL A 226 -12.535 -4.046 0.309 1.00 1.12 H new ATOM 0 HG21 VAL A 226 -12.006 -4.127 3.332 1.00 1.12 H new ATOM 0 HG22 VAL A 226 -10.741 -3.827 2.117 1.00 1.12 H new ATOM 0 HG23 VAL A 226 -10.999 -2.663 3.438 1.00 1.12 H new