USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=13 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 Single : A 163 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 GLN : amide:sc= -3.44! K(o=-3.4!,f=-0.099) USER MOD Single : A 167 THR OG1 : rot -170:sc= -0.129 USER MOD Single : A 173 CYS SG : rot 33:sc= 0.0846 USER MOD Single : A 176 THR OG1 : rot -150:sc= -0.688 USER MOD Single : A 180 SER OG : rot 36:sc= 0.853 USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ -172:sc= -0.192 (180deg=-0.338) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 187 MET CE :methyl -131:sc= 0 (180deg=-1.94!) USER MOD Single : A 194 CYS SG : rot 180:sc= 0 USER MOD Single : A 195 CYS SG : rot 62:sc= -7.04! USER MOD Single : A 198 TYR OH : rot 180:sc= -0.639 USER MOD Single : A 212 THR OG1 : rot -150:sc= 0.112 USER MOD Single : A 215 SER OG : rot -56:sc= 1.17 USER MOD Single : A 218 THR OG1 : rot 96:sc= 0.0797 USER MOD Single : A 223 HIS : no HE2:sc= 1.19 K(o=1.2,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 155 15.329 -0.906 0.696 1.00 0.42 N ATOM 66 CA PRO A 155 14.345 0.036 1.226 1.00 0.38 C ATOM 67 C PRO A 155 12.953 -0.583 1.283 1.00 0.33 C ATOM 68 O PRO A 155 12.663 -1.535 0.552 1.00 0.33 O ATOM 69 CB PRO A 155 14.390 1.140 0.187 1.00 0.40 C ATOM 70 CG PRO A 155 14.544 0.388 -1.081 1.00 0.39 C ATOM 71 CD PRO A 155 15.511 -0.720 -0.761 1.00 0.43 C ATOM 0 HA PRO A 155 14.557 0.361 2.245 1.00 0.38 H new ATOM 0 HB2 PRO A 155 13.480 1.740 0.194 1.00 0.40 H new ATOM 0 HB3 PRO A 155 15.223 1.822 0.357 1.00 0.40 H new ATOM 0 HG2 PRO A 155 13.588 -0.009 -1.423 1.00 0.39 H new ATOM 0 HG3 PRO A 155 14.926 1.028 -1.876 1.00 0.39 H new ATOM 0 HD2 PRO A 155 15.282 -1.629 -1.316 1.00 0.43 H new ATOM 0 HD3 PRO A 155 16.536 -0.445 -1.008 1.00 0.43 H new ATOM 79 N ILE A 156 12.087 -0.046 2.127 1.00 0.33 N ATOM 80 CA ILE A 156 10.752 -0.596 2.281 1.00 0.29 C ATOM 81 C ILE A 156 9.695 0.489 2.452 1.00 0.29 C ATOM 82 O ILE A 156 9.980 1.596 2.906 1.00 0.37 O ATOM 83 CB ILE A 156 10.672 -1.587 3.463 1.00 0.31 C ATOM 84 CG1 ILE A 156 11.411 -1.053 4.693 1.00 0.38 C ATOM 85 CG2 ILE A 156 11.214 -2.949 3.065 1.00 0.37 C ATOM 86 CD1 ILE A 156 10.563 -0.170 5.583 1.00 0.79 C ATOM 0 H ILE A 156 12.284 0.766 2.713 1.00 0.33 H new ATOM 0 HA ILE A 156 10.543 -1.134 1.356 1.00 0.29 H new ATOM 0 HB ILE A 156 9.620 -1.698 3.727 1.00 0.31 H new ATOM 0 HG12 ILE A 156 11.778 -1.896 5.278 1.00 0.38 H new ATOM 0 HG13 ILE A 156 12.284 -0.489 4.364 1.00 0.38 H new ATOM 0 HG21 ILE A 156 11.147 -3.629 3.914 1.00 0.37 H new ATOM 0 HG22 ILE A 156 10.629 -3.345 2.235 1.00 0.37 H new ATOM 0 HG23 ILE A 156 12.256 -2.851 2.760 1.00 0.37 H new ATOM 0 HD11 ILE A 156 11.157 0.168 6.432 1.00 0.79 H new ATOM 0 HD12 ILE A 156 10.217 0.694 5.015 1.00 0.79 H new ATOM 0 HD13 ILE A 156 9.704 -0.735 5.944 1.00 0.79 H new ATOM 98 N VAL A 157 8.483 0.157 2.051 1.00 0.25 N ATOM 99 CA VAL A 157 7.324 0.997 2.254 1.00 0.27 C ATOM 100 C VAL A 157 6.198 0.163 2.867 1.00 0.21 C ATOM 101 O VAL A 157 5.858 -0.916 2.374 1.00 0.25 O ATOM 102 CB VAL A 157 6.874 1.696 0.944 1.00 0.38 C ATOM 103 CG1 VAL A 157 7.171 0.854 -0.290 1.00 1.05 C ATOM 104 CG2 VAL A 157 5.404 2.061 1.019 1.00 0.91 C ATOM 0 H VAL A 157 8.275 -0.717 1.568 1.00 0.25 H new ATOM 0 HA VAL A 157 7.590 1.797 2.945 1.00 0.27 H new ATOM 0 HB VAL A 157 7.456 2.612 0.844 1.00 0.38 H new ATOM 0 HG11 VAL A 157 6.838 1.385 -1.182 1.00 1.05 H new ATOM 0 HG12 VAL A 157 8.243 0.671 -0.356 1.00 1.05 H new ATOM 0 HG13 VAL A 157 6.644 -0.097 -0.217 1.00 1.05 H new ATOM 0 HG21 VAL A 157 5.103 2.551 0.093 1.00 0.91 H new ATOM 0 HG22 VAL A 157 4.811 1.157 1.161 1.00 0.91 H new ATOM 0 HG23 VAL A 157 5.240 2.738 1.857 1.00 0.91 H new ATOM 114 N ARG A 158 5.666 0.651 3.975 1.00 0.21 N ATOM 115 CA ARG A 158 4.672 -0.072 4.747 1.00 0.21 C ATOM 116 C ARG A 158 3.271 0.351 4.349 1.00 0.21 C ATOM 117 O ARG A 158 2.940 1.532 4.351 1.00 0.32 O ATOM 118 CB ARG A 158 4.877 0.179 6.237 1.00 0.26 C ATOM 119 CG ARG A 158 6.279 -0.171 6.715 1.00 0.29 C ATOM 120 CD ARG A 158 6.437 -0.006 8.220 1.00 0.49 C ATOM 121 NE ARG A 158 6.212 1.368 8.666 1.00 1.36 N ATOM 122 CZ ARG A 158 7.170 2.172 9.131 1.00 1.81 C ATOM 123 NH1 ARG A 158 8.437 1.772 9.159 1.00 1.70 N ATOM 124 NH2 ARG A 158 6.856 3.384 9.568 1.00 2.87 N ATOM 0 H ARG A 158 5.912 1.561 4.364 1.00 0.21 H new ATOM 0 HA ARG A 158 4.790 -1.136 4.540 1.00 0.21 H new ATOM 0 HB2 ARG A 158 4.678 1.229 6.453 1.00 0.26 H new ATOM 0 HB3 ARG A 158 4.151 -0.406 6.801 1.00 0.26 H new ATOM 0 HG2 ARG A 158 6.508 -1.200 6.439 1.00 0.29 H new ATOM 0 HG3 ARG A 158 7.003 0.464 6.205 1.00 0.29 H new ATOM 0 HD2 ARG A 158 5.736 -0.668 8.729 1.00 0.49 H new ATOM 0 HD3 ARG A 158 7.440 -0.318 8.512 1.00 0.49 H new ATOM 0 HE ARG A 158 5.262 1.736 8.619 1.00 1.36 H new ATOM 0 HH11 ARG A 158 8.686 0.842 8.823 1.00 1.70 H new ATOM 0 HH12 ARG A 158 9.161 2.395 9.517 1.00 1.70 H new ATOM 0 HH21 ARG A 158 5.886 3.698 9.548 1.00 2.87 H new ATOM 0 HH22 ARG A 158 7.585 4.002 9.924 1.00 2.87 H new ATOM 138 N VAL A 159 2.457 -0.619 4.003 1.00 0.20 N ATOM 139 CA VAL A 159 1.085 -0.353 3.598 1.00 0.21 C ATOM 140 C VAL A 159 0.100 -0.821 4.657 1.00 0.23 C ATOM 141 O VAL A 159 0.101 -1.985 5.035 1.00 0.36 O ATOM 142 CB VAL A 159 0.728 -1.070 2.290 1.00 0.28 C ATOM 143 CG1 VAL A 159 -0.523 -0.468 1.687 1.00 0.42 C ATOM 144 CG2 VAL A 159 1.887 -1.033 1.300 1.00 0.35 C ATOM 0 H VAL A 159 2.717 -1.605 3.992 1.00 0.20 H new ATOM 0 HA VAL A 159 1.015 0.726 3.460 1.00 0.21 H new ATOM 0 HB VAL A 159 0.532 -2.117 2.519 1.00 0.28 H new ATOM 0 HG11 VAL A 159 -0.765 -0.986 0.759 1.00 0.42 H new ATOM 0 HG12 VAL A 159 -1.351 -0.572 2.388 1.00 0.42 H new ATOM 0 HG13 VAL A 159 -0.355 0.589 1.479 1.00 0.42 H new ATOM 0 HG21 VAL A 159 1.600 -1.550 0.384 1.00 0.35 H new ATOM 0 HG22 VAL A 159 2.135 0.003 1.069 1.00 0.35 H new ATOM 0 HG23 VAL A 159 2.755 -1.525 1.738 1.00 0.35 H new ATOM 154 N PHE A 160 -0.747 0.073 5.124 1.00 0.22 N ATOM 155 CA PHE A 160 -1.796 -0.301 6.059 1.00 0.22 C ATOM 156 C PHE A 160 -2.934 -1.010 5.319 1.00 0.24 C ATOM 157 O PHE A 160 -3.725 -0.363 4.636 1.00 0.28 O ATOM 158 CB PHE A 160 -2.341 0.942 6.768 1.00 0.25 C ATOM 159 CG PHE A 160 -1.463 1.478 7.869 1.00 0.30 C ATOM 160 CD1 PHE A 160 -0.244 2.080 7.589 1.00 0.38 C ATOM 161 CD2 PHE A 160 -1.877 1.403 9.189 1.00 0.48 C ATOM 162 CE1 PHE A 160 0.542 2.591 8.605 1.00 0.46 C ATOM 163 CE2 PHE A 160 -1.093 1.908 10.209 1.00 0.58 C ATOM 164 CZ PHE A 160 0.117 2.504 9.916 1.00 0.51 C ATOM 0 H PHE A 160 -0.733 1.062 4.874 1.00 0.22 H new ATOM 0 HA PHE A 160 -1.374 -0.979 6.801 1.00 0.22 H new ATOM 0 HB2 PHE A 160 -2.492 1.728 6.028 1.00 0.25 H new ATOM 0 HB3 PHE A 160 -3.319 0.705 7.186 1.00 0.25 H new ATOM 0 HD1 PHE A 160 0.094 2.150 6.566 1.00 0.38 H new ATOM 0 HD2 PHE A 160 -2.826 0.943 9.424 1.00 0.48 H new ATOM 0 HE1 PHE A 160 1.488 3.058 8.374 1.00 0.46 H new ATOM 0 HE2 PHE A 160 -1.427 1.836 11.234 1.00 0.58 H new ATOM 0 HZ PHE A 160 0.730 2.902 10.711 1.00 0.51 H new ATOM 174 N LEU A 161 -2.991 -2.336 5.434 1.00 0.27 N ATOM 175 CA LEU A 161 -4.075 -3.123 4.828 1.00 0.33 C ATOM 176 C LEU A 161 -5.431 -2.761 5.426 1.00 0.33 C ATOM 177 O LEU A 161 -5.514 -2.185 6.516 1.00 0.37 O ATOM 178 CB LEU A 161 -3.895 -4.647 5.021 1.00 0.49 C ATOM 179 CG LEU A 161 -2.556 -5.262 4.617 1.00 0.72 C ATOM 180 CD1 LEU A 161 -1.900 -4.450 3.534 1.00 1.46 C ATOM 181 CD2 LEU A 161 -1.652 -5.395 5.821 1.00 0.98 C ATOM 0 H LEU A 161 -2.302 -2.892 5.940 1.00 0.27 H new ATOM 0 HA LEU A 161 -4.035 -2.880 3.766 1.00 0.33 H new ATOM 0 HB2 LEU A 161 -4.064 -4.874 6.074 1.00 0.49 H new ATOM 0 HB3 LEU A 161 -4.679 -5.151 4.456 1.00 0.49 H new ATOM 0 HG LEU A 161 -2.740 -6.260 4.219 1.00 0.72 H new ATOM 0 HD11 LEU A 161 -0.948 -4.907 3.263 1.00 1.46 H new ATOM 0 HD12 LEU A 161 -2.550 -4.418 2.659 1.00 1.46 H new ATOM 0 HD13 LEU A 161 -1.726 -3.436 3.894 1.00 1.46 H new ATOM 0 HD21 LEU A 161 -0.702 -5.835 5.516 1.00 0.98 H new ATOM 0 HD22 LEU A 161 -1.474 -4.410 6.253 1.00 0.98 H new ATOM 0 HD23 LEU A 161 -2.127 -6.036 6.564 1.00 0.98 H new ATOM 193 N PRO A 162 -6.510 -3.113 4.706 1.00 0.38 N ATOM 194 CA PRO A 162 -7.873 -3.074 5.232 1.00 0.43 C ATOM 195 C PRO A 162 -7.969 -3.732 6.605 1.00 0.42 C ATOM 196 O PRO A 162 -7.176 -4.619 6.928 1.00 0.40 O ATOM 197 CB PRO A 162 -8.667 -3.891 4.215 1.00 0.49 C ATOM 198 CG PRO A 162 -7.915 -3.763 2.935 1.00 0.50 C ATOM 199 CD PRO A 162 -6.470 -3.539 3.299 1.00 0.46 C ATOM 0 HA PRO A 162 -8.233 -2.053 5.361 1.00 0.43 H new ATOM 0 HB2 PRO A 162 -8.745 -4.934 4.523 1.00 0.49 H new ATOM 0 HB3 PRO A 162 -9.684 -3.512 4.113 1.00 0.49 H new ATOM 0 HG2 PRO A 162 -8.026 -4.663 2.330 1.00 0.50 H new ATOM 0 HG3 PRO A 162 -8.298 -2.932 2.343 1.00 0.50 H new ATOM 0 HD2 PRO A 162 -5.883 -4.449 3.176 1.00 0.46 H new ATOM 0 HD3 PRO A 162 -6.014 -2.778 2.666 1.00 0.46 H new ATOM 207 N ASN A 163 -8.944 -3.299 7.398 1.00 0.51 N ATOM 208 CA ASN A 163 -9.126 -3.784 8.770 1.00 0.54 C ATOM 209 C ASN A 163 -8.019 -3.266 9.678 1.00 0.48 C ATOM 210 O ASN A 163 -7.786 -3.812 10.756 1.00 0.53 O ATOM 211 CB ASN A 163 -9.187 -5.317 8.842 1.00 0.60 C ATOM 212 CG ASN A 163 -10.484 -5.891 8.308 1.00 1.26 C ATOM 213 OD1 ASN A 163 -11.104 -5.338 7.399 1.00 2.08 O ATOM 214 ND2 ASN A 163 -10.905 -7.010 8.875 1.00 1.86 N ATOM 0 H ASN A 163 -9.632 -2.602 7.112 1.00 0.51 H new ATOM 0 HA ASN A 163 -10.085 -3.397 9.115 1.00 0.54 H new ATOM 0 HB2 ASN A 163 -8.353 -5.734 8.277 1.00 0.60 H new ATOM 0 HB3 ASN A 163 -9.058 -5.631 9.878 1.00 0.60 H new ATOM 0 HD21 ASN A 163 -11.772 -7.446 8.561 1.00 1.86 H new ATOM 0 HD22 ASN A 163 -10.362 -7.437 9.626 1.00 1.86 H new ATOM 221 N LYS A 164 -7.335 -2.216 9.223 1.00 0.48 N ATOM 222 CA LYS A 164 -6.338 -1.510 10.028 1.00 0.52 C ATOM 223 C LYS A 164 -5.107 -2.377 10.306 1.00 0.44 C ATOM 224 O LYS A 164 -4.526 -2.322 11.389 1.00 0.52 O ATOM 225 CB LYS A 164 -6.960 -1.032 11.344 1.00 0.69 C ATOM 226 CG LYS A 164 -8.183 -0.155 11.143 1.00 0.88 C ATOM 227 CD LYS A 164 -7.820 1.249 10.681 1.00 1.22 C ATOM 228 CE LYS A 164 -7.010 1.987 11.732 1.00 2.04 C ATOM 229 NZ LYS A 164 -6.929 3.444 11.449 1.00 2.74 N ATOM 0 H LYS A 164 -7.456 -1.831 8.286 1.00 0.48 H new ATOM 0 HA LYS A 164 -6.006 -0.646 9.453 1.00 0.52 H new ATOM 0 HB2 LYS A 164 -7.237 -1.899 11.944 1.00 0.69 H new ATOM 0 HB3 LYS A 164 -6.213 -0.478 11.912 1.00 0.69 H new ATOM 0 HG2 LYS A 164 -8.842 -0.618 10.408 1.00 0.88 H new ATOM 0 HG3 LYS A 164 -8.741 -0.094 12.077 1.00 0.88 H new ATOM 0 HD2 LYS A 164 -7.250 1.192 9.754 1.00 1.22 H new ATOM 0 HD3 LYS A 164 -8.730 1.808 10.462 1.00 1.22 H new ATOM 0 HE2 LYS A 164 -7.461 1.832 12.712 1.00 2.04 H new ATOM 0 HE3 LYS A 164 -6.004 1.569 11.774 1.00 2.04 H new ATOM 0 HZ1 LYS A 164 -6.368 3.911 12.190 1.00 2.74 H new ATOM 0 HZ2 LYS A 164 -6.476 3.594 10.525 1.00 2.74 H new ATOM 0 HZ3 LYS A 164 -7.887 3.848 11.434 1.00 2.74 H new ATOM 243 N GLN A 165 -4.718 -3.186 9.328 1.00 0.36 N ATOM 244 CA GLN A 165 -3.498 -3.983 9.426 1.00 0.37 C ATOM 245 C GLN A 165 -2.377 -3.226 8.754 1.00 0.33 C ATOM 246 O GLN A 165 -2.610 -2.176 8.168 1.00 0.38 O ATOM 247 CB GLN A 165 -3.688 -5.335 8.732 1.00 0.42 C ATOM 248 CG GLN A 165 -5.130 -5.818 8.701 1.00 0.50 C ATOM 249 CD GLN A 165 -5.667 -6.314 10.043 1.00 0.66 C ATOM 250 OE1 GLN A 165 -6.529 -7.193 10.083 1.00 1.33 O ATOM 251 NE2 GLN A 165 -5.184 -5.760 11.143 1.00 1.33 N ATOM 0 H GLN A 165 -5.231 -3.309 8.455 1.00 0.36 H new ATOM 0 HA GLN A 165 -3.262 -4.161 10.475 1.00 0.37 H new ATOM 0 HB2 GLN A 165 -3.318 -5.262 7.709 1.00 0.42 H new ATOM 0 HB3 GLN A 165 -3.077 -6.081 9.239 1.00 0.42 H new ATOM 0 HG2 GLN A 165 -5.764 -5.004 8.350 1.00 0.50 H new ATOM 0 HG3 GLN A 165 -5.213 -6.624 7.972 1.00 0.50 H new ATOM 0 HE21 GLN A 165 -4.470 -5.034 11.077 1.00 1.33 H new ATOM 0 HE22 GLN A 165 -5.525 -6.059 12.057 1.00 1.33 H new ATOM 260 N ARG A 166 -1.164 -3.733 8.835 1.00 0.34 N ATOM 261 CA ARG A 166 -0.074 -3.099 8.136 1.00 0.32 C ATOM 262 C ARG A 166 0.960 -4.105 7.666 1.00 0.41 C ATOM 263 O ARG A 166 1.431 -4.947 8.430 1.00 0.79 O ATOM 264 CB ARG A 166 0.582 -2.028 8.988 1.00 0.40 C ATOM 265 CG ARG A 166 1.482 -1.148 8.188 1.00 0.95 C ATOM 266 CD ARG A 166 2.328 -0.266 9.074 1.00 0.96 C ATOM 267 NE ARG A 166 3.025 -1.011 10.117 1.00 1.54 N ATOM 268 CZ ARG A 166 3.766 -0.438 11.064 1.00 1.82 C ATOM 269 NH1 ARG A 166 3.954 0.876 11.063 1.00 1.62 N ATOM 270 NH2 ARG A 166 4.337 -1.182 12.001 1.00 2.49 N ATOM 0 H ARG A 166 -0.914 -4.566 9.368 1.00 0.34 H new ATOM 0 HA ARG A 166 -0.502 -2.623 7.254 1.00 0.32 H new ATOM 0 HB2 ARG A 166 -0.189 -1.421 9.464 1.00 0.40 H new ATOM 0 HB3 ARG A 166 1.154 -2.500 9.787 1.00 0.40 H new ATOM 0 HG2 ARG A 166 2.129 -1.762 7.561 1.00 0.95 H new ATOM 0 HG3 ARG A 166 0.885 -0.528 7.519 1.00 0.95 H new ATOM 0 HD2 ARG A 166 3.059 0.262 8.461 1.00 0.96 H new ATOM 0 HD3 ARG A 166 1.694 0.491 9.537 1.00 0.96 H new ATOM 0 HE ARG A 166 2.940 -2.027 10.121 1.00 1.54 H new ATOM 0 HH11 ARG A 166 3.530 1.451 10.335 1.00 1.62 H new ATOM 0 HH12 ARG A 166 4.522 1.310 11.790 1.00 1.62 H new ATOM 0 HH21 ARG A 166 4.209 -2.194 11.997 1.00 2.49 H new ATOM 0 HH22 ARG A 166 4.904 -0.742 12.726 1.00 2.49 H new ATOM 284 N THR A 167 1.287 -3.998 6.395 1.00 0.25 N ATOM 285 CA THR A 167 2.292 -4.819 5.761 1.00 0.27 C ATOM 286 C THR A 167 3.524 -3.980 5.479 1.00 0.25 C ATOM 287 O THR A 167 3.529 -2.771 5.712 1.00 0.31 O ATOM 288 CB THR A 167 1.772 -5.385 4.419 1.00 0.35 C ATOM 289 OG1 THR A 167 2.647 -6.394 3.911 1.00 0.50 O ATOM 290 CG2 THR A 167 1.646 -4.284 3.398 1.00 0.52 C ATOM 0 H THR A 167 0.852 -3.325 5.764 1.00 0.25 H new ATOM 0 HA THR A 167 2.532 -5.644 6.432 1.00 0.27 H new ATOM 0 HB THR A 167 0.793 -5.827 4.606 1.00 0.35 H new ATOM 0 HG1 THR A 167 2.386 -6.623 2.995 1.00 0.50 H new ATOM 0 HG21 THR A 167 1.279 -4.699 2.459 1.00 0.52 H new ATOM 0 HG22 THR A 167 0.947 -3.530 3.760 1.00 0.52 H new ATOM 0 HG23 THR A 167 2.621 -3.825 3.235 1.00 0.52 H new ATOM 298 N VAL A 168 4.561 -4.623 4.974 1.00 0.25 N ATOM 299 CA VAL A 168 5.738 -3.924 4.507 1.00 0.27 C ATOM 300 C VAL A 168 6.247 -4.599 3.252 1.00 0.25 C ATOM 301 O VAL A 168 6.441 -5.815 3.225 1.00 0.30 O ATOM 302 CB VAL A 168 6.878 -3.926 5.531 1.00 0.39 C ATOM 303 CG1 VAL A 168 7.935 -2.904 5.147 1.00 0.73 C ATOM 304 CG2 VAL A 168 6.361 -3.686 6.939 1.00 0.88 C ATOM 0 H VAL A 168 4.609 -5.637 4.878 1.00 0.25 H new ATOM 0 HA VAL A 168 5.442 -2.890 4.327 1.00 0.27 H new ATOM 0 HB VAL A 168 7.339 -4.913 5.524 1.00 0.39 H new ATOM 0 HG11 VAL A 168 8.738 -2.917 5.884 1.00 0.73 H new ATOM 0 HG12 VAL A 168 8.339 -3.150 4.165 1.00 0.73 H new ATOM 0 HG13 VAL A 168 7.487 -1.911 5.116 1.00 0.73 H new ATOM 0 HG21 VAL A 168 7.196 -3.694 7.639 1.00 0.88 H new ATOM 0 HG22 VAL A 168 5.860 -2.719 6.983 1.00 0.88 H new ATOM 0 HG23 VAL A 168 5.656 -4.473 7.207 1.00 0.88 H new ATOM 314 N VAL A 169 6.463 -3.814 2.229 1.00 0.26 N ATOM 315 CA VAL A 169 7.032 -4.311 0.989 1.00 0.26 C ATOM 316 C VAL A 169 8.266 -3.506 0.637 1.00 0.28 C ATOM 317 O VAL A 169 8.282 -2.289 0.806 1.00 0.29 O ATOM 318 CB VAL A 169 6.035 -4.237 -0.191 1.00 0.32 C ATOM 319 CG1 VAL A 169 4.969 -5.312 -0.068 1.00 1.17 C ATOM 320 CG2 VAL A 169 5.397 -2.860 -0.280 1.00 1.31 C ATOM 0 H VAL A 169 6.253 -2.816 2.224 1.00 0.26 H new ATOM 0 HA VAL A 169 7.284 -5.359 1.150 1.00 0.26 H new ATOM 0 HB VAL A 169 6.593 -4.413 -1.111 1.00 0.32 H new ATOM 0 HG11 VAL A 169 4.280 -5.239 -0.909 1.00 1.17 H new ATOM 0 HG12 VAL A 169 5.441 -6.294 -0.070 1.00 1.17 H new ATOM 0 HG13 VAL A 169 4.420 -5.175 0.863 1.00 1.17 H new ATOM 0 HG21 VAL A 169 4.700 -2.835 -1.118 1.00 1.31 H new ATOM 0 HG22 VAL A 169 4.860 -2.647 0.645 1.00 1.31 H new ATOM 0 HG23 VAL A 169 6.172 -2.109 -0.430 1.00 1.31 H new ATOM 330 N PRO A 170 9.336 -4.170 0.188 1.00 0.31 N ATOM 331 CA PRO A 170 10.500 -3.479 -0.355 1.00 0.32 C ATOM 332 C PRO A 170 10.077 -2.534 -1.466 1.00 0.28 C ATOM 333 O PRO A 170 9.152 -2.843 -2.219 1.00 0.33 O ATOM 334 CB PRO A 170 11.367 -4.610 -0.911 1.00 0.40 C ATOM 335 CG PRO A 170 10.964 -5.815 -0.137 1.00 0.59 C ATOM 336 CD PRO A 170 9.506 -5.633 0.187 1.00 0.39 C ATOM 0 HA PRO A 170 11.022 -2.874 0.386 1.00 0.32 H new ATOM 0 HB2 PRO A 170 11.197 -4.751 -1.978 1.00 0.40 H new ATOM 0 HB3 PRO A 170 12.428 -4.394 -0.783 1.00 0.40 H new ATOM 0 HG2 PRO A 170 11.124 -6.723 -0.718 1.00 0.59 H new ATOM 0 HG3 PRO A 170 11.557 -5.910 0.773 1.00 0.59 H new ATOM 0 HD2 PRO A 170 8.867 -6.111 -0.555 1.00 0.39 H new ATOM 0 HD3 PRO A 170 9.252 -6.068 1.154 1.00 0.39 H new ATOM 344 N ALA A 171 10.721 -1.379 -1.549 1.00 0.24 N ATOM 345 CA ALA A 171 10.409 -0.417 -2.595 1.00 0.21 C ATOM 346 C ALA A 171 10.814 -0.977 -3.944 1.00 0.24 C ATOM 347 O ALA A 171 11.898 -0.700 -4.459 1.00 0.35 O ATOM 348 CB ALA A 171 11.088 0.909 -2.334 1.00 0.21 C ATOM 0 H ALA A 171 11.459 -1.086 -0.908 1.00 0.24 H new ATOM 0 HA ALA A 171 9.334 -0.239 -2.597 1.00 0.21 H new ATOM 0 HB1 ALA A 171 10.838 1.609 -3.131 1.00 0.21 H new ATOM 0 HB2 ALA A 171 10.748 1.310 -1.379 1.00 0.21 H new ATOM 0 HB3 ALA A 171 12.168 0.765 -2.304 1.00 0.21 H new ATOM 354 N ARG A 172 9.926 -1.782 -4.486 1.00 0.26 N ATOM 355 CA ARG A 172 10.164 -2.504 -5.712 1.00 0.29 C ATOM 356 C ARG A 172 10.278 -1.553 -6.896 1.00 0.27 C ATOM 357 O ARG A 172 9.298 -0.929 -7.306 1.00 0.27 O ATOM 358 CB ARG A 172 9.023 -3.501 -5.911 1.00 0.33 C ATOM 359 CG ARG A 172 9.026 -4.642 -4.904 1.00 0.46 C ATOM 360 CD ARG A 172 10.287 -5.486 -5.005 1.00 0.56 C ATOM 361 NE ARG A 172 10.397 -6.155 -6.302 1.00 1.33 N ATOM 362 CZ ARG A 172 11.496 -6.150 -7.060 1.00 1.81 C ATOM 363 NH1 ARG A 172 12.576 -5.479 -6.678 1.00 1.58 N ATOM 364 NH2 ARG A 172 11.507 -6.806 -8.212 1.00 2.81 N ATOM 0 H ARG A 172 9.006 -1.954 -4.080 1.00 0.26 H new ATOM 0 HA ARG A 172 11.111 -3.039 -5.647 1.00 0.29 H new ATOM 0 HB2 ARG A 172 8.073 -2.971 -5.843 1.00 0.33 H new ATOM 0 HB3 ARG A 172 9.086 -3.916 -6.917 1.00 0.33 H new ATOM 0 HG2 ARG A 172 8.941 -4.236 -3.896 1.00 0.46 H new ATOM 0 HG3 ARG A 172 8.153 -5.273 -5.068 1.00 0.46 H new ATOM 0 HD2 ARG A 172 11.160 -4.853 -4.849 1.00 0.56 H new ATOM 0 HD3 ARG A 172 10.288 -6.233 -4.211 1.00 0.56 H new ATOM 0 HE ARG A 172 9.581 -6.658 -6.650 1.00 1.33 H new ATOM 0 HH11 ARG A 172 12.571 -4.962 -5.799 1.00 1.58 H new ATOM 0 HH12 ARG A 172 13.411 -5.481 -7.264 1.00 1.58 H new ATOM 0 HH21 ARG A 172 10.677 -7.313 -8.518 1.00 2.81 H new ATOM 0 HH22 ARG A 172 12.346 -6.803 -8.792 1.00 2.81 H new ATOM 378 N CYS A 173 11.483 -1.449 -7.438 1.00 0.30 N ATOM 379 CA CYS A 173 11.745 -0.570 -8.565 1.00 0.32 C ATOM 380 C CYS A 173 11.243 -1.198 -9.856 1.00 0.31 C ATOM 381 O CYS A 173 11.481 -2.379 -10.118 1.00 0.41 O ATOM 382 CB CYS A 173 13.242 -0.264 -8.653 1.00 0.40 C ATOM 383 SG CYS A 173 14.297 -1.730 -8.683 1.00 1.44 S ATOM 0 H CYS A 173 12.299 -1.967 -7.112 1.00 0.30 H new ATOM 0 HA CYS A 173 11.209 0.367 -8.415 1.00 0.32 H new ATOM 0 HB2 CYS A 173 13.429 0.323 -9.552 1.00 0.40 H new ATOM 0 HB3 CYS A 173 13.525 0.356 -7.803 1.00 0.40 H new ATOM 0 HG CYS A 173 13.679 -2.697 -9.294 1.00 1.44 H new ATOM 389 N GLY A 174 10.530 -0.411 -10.648 1.00 0.30 N ATOM 390 CA GLY A 174 9.935 -0.930 -11.860 1.00 0.33 C ATOM 391 C GLY A 174 8.703 -1.751 -11.554 1.00 0.30 C ATOM 392 O GLY A 174 8.246 -2.545 -12.380 1.00 0.43 O ATOM 0 H GLY A 174 10.353 0.578 -10.472 1.00 0.30 H new ATOM 0 HA2 GLY A 174 9.671 -0.105 -12.521 1.00 0.33 H new ATOM 0 HA3 GLY A 174 10.662 -1.544 -12.392 1.00 0.33 H new ATOM 396 N VAL A 175 8.175 -1.563 -10.354 1.00 0.25 N ATOM 397 CA VAL A 175 7.008 -2.294 -9.898 1.00 0.28 C ATOM 398 C VAL A 175 5.890 -1.340 -9.524 1.00 0.26 C ATOM 399 O VAL A 175 6.104 -0.346 -8.828 1.00 0.35 O ATOM 400 CB VAL A 175 7.344 -3.204 -8.696 1.00 0.35 C ATOM 401 CG1 VAL A 175 6.075 -3.684 -7.997 1.00 0.69 C ATOM 402 CG2 VAL A 175 8.136 -4.408 -9.164 1.00 0.97 C ATOM 0 H VAL A 175 8.544 -0.900 -9.672 1.00 0.25 H new ATOM 0 HA VAL A 175 6.677 -2.925 -10.723 1.00 0.28 H new ATOM 0 HB VAL A 175 7.935 -2.620 -7.990 1.00 0.35 H new ATOM 0 HG11 VAL A 175 6.343 -4.322 -7.155 1.00 0.69 H new ATOM 0 HG12 VAL A 175 5.511 -2.824 -7.635 1.00 0.69 H new ATOM 0 HG13 VAL A 175 5.463 -4.249 -8.701 1.00 0.69 H new ATOM 0 HG21 VAL A 175 8.369 -5.045 -8.310 1.00 0.97 H new ATOM 0 HG22 VAL A 175 7.547 -4.972 -9.887 1.00 0.97 H new ATOM 0 HG23 VAL A 175 9.063 -4.075 -9.631 1.00 0.97 H new ATOM 412 N THR A 176 4.701 -1.645 -9.999 1.00 0.22 N ATOM 413 CA THR A 176 3.540 -0.849 -9.693 1.00 0.25 C ATOM 414 C THR A 176 2.946 -1.261 -8.351 1.00 0.23 C ATOM 415 O THR A 176 3.172 -2.393 -7.886 1.00 0.25 O ATOM 416 CB THR A 176 2.479 -0.989 -10.796 1.00 0.31 C ATOM 417 OG1 THR A 176 2.334 -2.367 -11.156 1.00 0.47 O ATOM 418 CG2 THR A 176 2.859 -0.183 -12.026 1.00 0.40 C ATOM 0 H THR A 176 4.517 -2.446 -10.603 1.00 0.22 H new ATOM 0 HA THR A 176 3.853 0.194 -9.636 1.00 0.25 H new ATOM 0 HB THR A 176 1.535 -0.606 -10.409 1.00 0.31 H new ATOM 0 HG1 THR A 176 2.069 -2.433 -12.097 1.00 0.47 H new ATOM 0 HG21 THR A 176 2.090 -0.301 -12.790 1.00 0.40 H new ATOM 0 HG22 THR A 176 2.946 0.870 -11.758 1.00 0.40 H new ATOM 0 HG23 THR A 176 3.813 -0.539 -12.414 1.00 0.40 H new ATOM 426 N VAL A 177 2.221 -0.343 -7.719 1.00 0.25 N ATOM 427 CA VAL A 177 1.555 -0.619 -6.457 1.00 0.27 C ATOM 428 C VAL A 177 0.845 -1.965 -6.506 1.00 0.24 C ATOM 429 O VAL A 177 1.025 -2.790 -5.617 1.00 0.28 O ATOM 430 CB VAL A 177 0.533 0.489 -6.119 1.00 0.34 C ATOM 431 CG1 VAL A 177 -0.174 0.200 -4.805 1.00 1.20 C ATOM 432 CG2 VAL A 177 1.217 1.842 -6.064 1.00 1.39 C ATOM 0 H VAL A 177 2.081 0.606 -8.067 1.00 0.25 H new ATOM 0 HA VAL A 177 2.319 -0.645 -5.680 1.00 0.27 H new ATOM 0 HB VAL A 177 -0.217 0.507 -6.910 1.00 0.34 H new ATOM 0 HG11 VAL A 177 -0.887 0.996 -4.593 1.00 1.20 H new ATOM 0 HG12 VAL A 177 -0.702 -0.751 -4.878 1.00 1.20 H new ATOM 0 HG13 VAL A 177 0.560 0.147 -4.001 1.00 1.20 H new ATOM 0 HG21 VAL A 177 0.483 2.611 -5.825 1.00 1.39 H new ATOM 0 HG22 VAL A 177 1.991 1.828 -5.296 1.00 1.39 H new ATOM 0 HG23 VAL A 177 1.670 2.061 -7.031 1.00 1.39 H new ATOM 442 N ARG A 178 0.097 -2.199 -7.582 1.00 0.23 N ATOM 443 CA ARG A 178 -0.725 -3.400 -7.705 1.00 0.26 C ATOM 444 C ARG A 178 0.037 -4.682 -7.395 1.00 0.23 C ATOM 445 O ARG A 178 -0.477 -5.533 -6.692 1.00 0.33 O ATOM 446 CB ARG A 178 -1.366 -3.504 -9.079 1.00 0.39 C ATOM 447 CG ARG A 178 -0.389 -3.392 -10.221 1.00 0.85 C ATOM 448 CD ARG A 178 -0.941 -2.465 -11.269 1.00 1.65 C ATOM 449 NE ARG A 178 -2.060 -3.062 -11.997 1.00 2.02 N ATOM 450 CZ ARG A 178 -3.131 -2.385 -12.404 1.00 2.82 C ATOM 451 NH1 ARG A 178 -3.222 -1.079 -12.179 1.00 3.53 N ATOM 452 NH2 ARG A 178 -4.106 -3.012 -13.048 1.00 3.28 N ATOM 0 H ARG A 178 0.043 -1.570 -8.383 1.00 0.23 H new ATOM 0 HA ARG A 178 -1.507 -3.293 -6.953 1.00 0.26 H new ATOM 0 HB2 ARG A 178 -1.889 -4.458 -9.154 1.00 0.39 H new ATOM 0 HB3 ARG A 178 -2.117 -2.720 -9.179 1.00 0.39 H new ATOM 0 HG2 ARG A 178 0.568 -3.018 -9.858 1.00 0.85 H new ATOM 0 HG3 ARG A 178 -0.204 -4.376 -10.652 1.00 0.85 H new ATOM 0 HD2 ARG A 178 -1.269 -1.539 -10.797 1.00 1.65 H new ATOM 0 HD3 ARG A 178 -0.151 -2.202 -11.972 1.00 1.65 H new ATOM 0 HE ARG A 178 -2.017 -4.059 -12.206 1.00 2.02 H new ATOM 0 HH11 ARG A 178 -2.469 -0.592 -11.693 1.00 3.53 H new ATOM 0 HH12 ARG A 178 -4.044 -0.564 -12.493 1.00 3.53 H new ATOM 0 HH21 ARG A 178 -4.035 -4.013 -13.231 1.00 3.28 H new ATOM 0 HH22 ARG A 178 -4.927 -2.493 -13.360 1.00 3.28 H new ATOM 466 N ASP A 179 1.259 -4.817 -7.893 1.00 0.20 N ATOM 467 CA ASP A 179 2.019 -6.047 -7.699 1.00 0.19 C ATOM 468 C ASP A 179 2.480 -6.144 -6.261 1.00 0.17 C ATOM 469 O ASP A 179 2.250 -7.146 -5.567 1.00 0.18 O ATOM 470 CB ASP A 179 3.241 -6.074 -8.621 1.00 0.23 C ATOM 471 CG ASP A 179 3.991 -7.393 -8.564 1.00 0.32 C ATOM 472 OD1 ASP A 179 3.790 -8.235 -9.464 1.00 1.12 O ATOM 473 OD2 ASP A 179 4.788 -7.596 -7.622 1.00 1.19 O ATOM 0 H ASP A 179 1.743 -4.097 -8.430 1.00 0.20 H new ATOM 0 HA ASP A 179 1.373 -6.892 -7.938 1.00 0.19 H new ATOM 0 HB2 ASP A 179 2.921 -5.887 -9.646 1.00 0.23 H new ATOM 0 HB3 ASP A 179 3.917 -5.265 -8.345 1.00 0.23 H new ATOM 478 N SER A 180 3.090 -5.069 -5.815 1.00 0.17 N ATOM 479 CA SER A 180 3.704 -5.021 -4.511 1.00 0.18 C ATOM 480 C SER A 180 2.664 -5.237 -3.426 1.00 0.17 C ATOM 481 O SER A 180 2.805 -6.107 -2.553 1.00 0.19 O ATOM 482 CB SER A 180 4.400 -3.671 -4.373 1.00 0.22 C ATOM 483 OG SER A 180 3.693 -2.668 -5.081 1.00 1.34 O ATOM 0 H SER A 180 3.173 -4.203 -6.348 1.00 0.17 H new ATOM 0 HA SER A 180 4.439 -5.818 -4.400 1.00 0.18 H new ATOM 0 HB2 SER A 180 4.470 -3.399 -3.320 1.00 0.22 H new ATOM 0 HB3 SER A 180 5.419 -3.741 -4.753 1.00 0.22 H new ATOM 0 HG SER A 180 2.730 -2.841 -5.019 1.00 1.34 H new ATOM 489 N LEU A 181 1.587 -4.490 -3.497 1.00 0.17 N ATOM 490 CA LEU A 181 0.609 -4.575 -2.461 1.00 0.18 C ATOM 491 C LEU A 181 -0.485 -5.616 -2.746 1.00 0.18 C ATOM 492 O LEU A 181 -1.304 -5.877 -1.875 1.00 0.20 O ATOM 493 CB LEU A 181 0.084 -3.175 -2.108 1.00 0.24 C ATOM 494 CG LEU A 181 -1.185 -2.639 -2.778 1.00 0.35 C ATOM 495 CD1 LEU A 181 -1.398 -3.183 -4.166 1.00 1.08 C ATOM 496 CD2 LEU A 181 -2.387 -2.889 -1.895 1.00 0.96 C ATOM 0 H LEU A 181 1.376 -3.833 -4.248 1.00 0.17 H new ATOM 0 HA LEU A 181 1.094 -4.961 -1.564 1.00 0.18 H new ATOM 0 HB2 LEU A 181 -0.085 -3.155 -1.031 1.00 0.24 H new ATOM 0 HB3 LEU A 181 0.885 -2.466 -2.318 1.00 0.24 H new ATOM 0 HG LEU A 181 -1.053 -1.564 -2.900 1.00 0.35 H new ATOM 0 HD11 LEU A 181 -2.313 -2.764 -4.584 1.00 1.08 H new ATOM 0 HD12 LEU A 181 -0.552 -2.910 -4.797 1.00 1.08 H new ATOM 0 HD13 LEU A 181 -1.483 -4.269 -4.122 1.00 1.08 H new ATOM 0 HD21 LEU A 181 -3.283 -2.504 -2.382 1.00 0.96 H new ATOM 0 HD22 LEU A 181 -2.498 -3.960 -1.726 1.00 0.96 H new ATOM 0 HD23 LEU A 181 -2.248 -2.384 -0.939 1.00 0.96 H new ATOM 508 N LYS A 182 -0.513 -6.248 -3.932 1.00 0.18 N ATOM 509 CA LYS A 182 -1.418 -7.392 -4.077 1.00 0.22 C ATOM 510 C LYS A 182 -0.882 -8.519 -3.222 1.00 0.22 C ATOM 511 O LYS A 182 -1.640 -9.324 -2.683 1.00 0.25 O ATOM 512 CB LYS A 182 -1.618 -7.866 -5.521 1.00 0.32 C ATOM 513 CG LYS A 182 -0.401 -8.511 -6.153 1.00 0.75 C ATOM 514 CD LYS A 182 -0.736 -9.153 -7.494 1.00 0.76 C ATOM 515 CE LYS A 182 -1.307 -8.151 -8.489 1.00 0.80 C ATOM 516 NZ LYS A 182 -1.776 -8.811 -9.739 1.00 1.15 N ATOM 0 H LYS A 182 0.042 -6.005 -4.753 1.00 0.18 H new ATOM 0 HA LYS A 182 -2.407 -7.070 -3.750 1.00 0.22 H new ATOM 0 HB2 LYS A 182 -2.442 -8.579 -5.544 1.00 0.32 H new ATOM 0 HB3 LYS A 182 -1.917 -7.013 -6.130 1.00 0.32 H new ATOM 0 HG2 LYS A 182 0.377 -7.761 -6.293 1.00 0.75 H new ATOM 0 HG3 LYS A 182 0.002 -9.266 -5.478 1.00 0.75 H new ATOM 0 HD2 LYS A 182 0.163 -9.605 -7.913 1.00 0.76 H new ATOM 0 HD3 LYS A 182 -1.455 -9.958 -7.339 1.00 0.76 H new ATOM 0 HE2 LYS A 182 -2.137 -7.616 -8.028 1.00 0.80 H new ATOM 0 HE3 LYS A 182 -0.546 -7.410 -8.734 1.00 0.80 H new ATOM 0 HZ1 LYS A 182 -2.157 -8.094 -10.388 1.00 1.15 H new ATOM 0 HZ2 LYS A 182 -0.979 -9.301 -10.193 1.00 1.15 H new ATOM 0 HZ3 LYS A 182 -2.520 -9.500 -9.509 1.00 1.15 H new ATOM 530 N LYS A 183 0.442 -8.556 -3.088 1.00 0.22 N ATOM 531 CA LYS A 183 1.066 -9.414 -2.101 1.00 0.25 C ATOM 532 C LYS A 183 0.626 -8.974 -0.713 1.00 0.23 C ATOM 533 O LYS A 183 0.288 -9.800 0.131 1.00 0.26 O ATOM 534 CB LYS A 183 2.580 -9.348 -2.184 1.00 0.33 C ATOM 535 CG LYS A 183 3.236 -10.315 -1.223 1.00 0.40 C ATOM 536 CD LYS A 183 3.379 -11.700 -1.825 1.00 1.18 C ATOM 537 CE LYS A 183 4.753 -11.892 -2.441 1.00 1.31 C ATOM 538 NZ LYS A 183 4.951 -11.061 -3.659 1.00 1.80 N ATOM 0 H LYS A 183 1.093 -8.005 -3.648 1.00 0.22 H new ATOM 0 HA LYS A 183 0.758 -10.441 -2.297 1.00 0.25 H new ATOM 0 HB2 LYS A 183 2.899 -9.574 -3.202 1.00 0.33 H new ATOM 0 HB3 LYS A 183 2.913 -8.334 -1.963 1.00 0.33 H new ATOM 0 HG2 LYS A 183 4.219 -9.938 -0.943 1.00 0.40 H new ATOM 0 HG3 LYS A 183 2.645 -10.376 -0.309 1.00 0.40 H new ATOM 0 HD2 LYS A 183 3.215 -12.453 -1.054 1.00 1.18 H new ATOM 0 HD3 LYS A 183 2.613 -11.850 -2.585 1.00 1.18 H new ATOM 0 HE2 LYS A 183 5.516 -11.640 -1.705 1.00 1.31 H new ATOM 0 HE3 LYS A 183 4.890 -12.943 -2.696 1.00 1.31 H new ATOM 0 HZ1 LYS A 183 5.846 -11.326 -4.118 1.00 1.80 H new ATOM 0 HZ2 LYS A 183 4.163 -11.219 -4.319 1.00 1.80 H new ATOM 0 HZ3 LYS A 183 4.983 -10.056 -3.392 1.00 1.80 H new ATOM 552 N ALA A 184 0.640 -7.658 -0.493 1.00 0.23 N ATOM 553 CA ALA A 184 0.194 -7.076 0.772 1.00 0.26 C ATOM 554 C ALA A 184 -1.180 -7.607 1.192 1.00 0.25 C ATOM 555 O ALA A 184 -1.354 -8.046 2.331 1.00 0.29 O ATOM 556 CB ALA A 184 0.166 -5.565 0.660 1.00 0.30 C ATOM 0 H ALA A 184 0.957 -6.973 -1.179 1.00 0.23 H new ATOM 0 HA ALA A 184 0.904 -7.370 1.545 1.00 0.26 H new ATOM 0 HB1 ALA A 184 -0.167 -5.136 1.605 1.00 0.30 H new ATOM 0 HB2 ALA A 184 1.166 -5.199 0.428 1.00 0.30 H new ATOM 0 HB3 ALA A 184 -0.521 -5.272 -0.134 1.00 0.30 H new ATOM 562 N LEU A 185 -2.151 -7.565 0.276 1.00 0.23 N ATOM 563 CA LEU A 185 -3.478 -8.122 0.553 1.00 0.26 C ATOM 564 C LEU A 185 -3.375 -9.603 0.894 1.00 0.24 C ATOM 565 O LEU A 185 -3.873 -10.048 1.928 1.00 0.27 O ATOM 566 CB LEU A 185 -4.440 -7.958 -0.638 1.00 0.31 C ATOM 567 CG LEU A 185 -5.103 -6.585 -0.830 1.00 0.50 C ATOM 568 CD1 LEU A 185 -5.586 -6.002 0.485 1.00 1.46 C ATOM 569 CD2 LEU A 185 -4.174 -5.622 -1.530 1.00 1.11 C ATOM 0 H LEU A 185 -2.046 -7.157 -0.653 1.00 0.23 H new ATOM 0 HA LEU A 185 -3.878 -7.565 1.400 1.00 0.26 H new ATOM 0 HB2 LEU A 185 -3.891 -8.197 -1.549 1.00 0.31 H new ATOM 0 HB3 LEU A 185 -5.230 -8.702 -0.537 1.00 0.31 H new ATOM 0 HG LEU A 185 -5.977 -6.739 -1.463 1.00 0.50 H new ATOM 0 HD11 LEU A 185 -6.048 -5.031 0.305 1.00 1.46 H new ATOM 0 HD12 LEU A 185 -6.317 -6.674 0.934 1.00 1.46 H new ATOM 0 HD13 LEU A 185 -4.740 -5.881 1.162 1.00 1.46 H new ATOM 0 HD21 LEU A 185 -4.671 -4.660 -1.651 1.00 1.11 H new ATOM 0 HD22 LEU A 185 -3.270 -5.491 -0.935 1.00 1.11 H new ATOM 0 HD23 LEU A 185 -3.909 -6.019 -2.510 1.00 1.11 H new ATOM 581 N MET A 186 -2.707 -10.353 0.027 1.00 0.22 N ATOM 582 CA MET A 186 -2.604 -11.805 0.155 1.00 0.26 C ATOM 583 C MET A 186 -1.923 -12.227 1.455 1.00 0.29 C ATOM 584 O MET A 186 -2.166 -13.320 1.963 1.00 0.34 O ATOM 585 CB MET A 186 -1.845 -12.373 -1.037 1.00 0.30 C ATOM 586 CG MET A 186 -2.630 -12.323 -2.338 1.00 0.35 C ATOM 587 SD MET A 186 -3.826 -13.667 -2.480 1.00 0.98 S ATOM 588 CE MET A 186 -4.511 -13.340 -4.103 1.00 1.45 C ATOM 0 H MET A 186 -2.221 -9.974 -0.786 1.00 0.22 H new ATOM 0 HA MET A 186 -3.618 -12.205 0.177 1.00 0.26 H new ATOM 0 HB2 MET A 186 -0.915 -11.819 -1.162 1.00 0.30 H new ATOM 0 HB3 MET A 186 -1.574 -13.407 -0.825 1.00 0.30 H new ATOM 0 HG2 MET A 186 -3.152 -11.369 -2.406 1.00 0.35 H new ATOM 0 HG3 MET A 186 -1.937 -12.368 -3.178 1.00 0.35 H new ATOM 0 HE1 MET A 186 -5.268 -14.089 -4.336 1.00 1.45 H new ATOM 0 HE2 MET A 186 -4.965 -12.349 -4.113 1.00 1.45 H new ATOM 0 HE3 MET A 186 -3.717 -13.383 -4.848 1.00 1.45 H new ATOM 598 N MET A 187 -1.084 -11.361 2.004 1.00 0.30 N ATOM 599 CA MET A 187 -0.383 -11.662 3.249 1.00 0.37 C ATOM 600 C MET A 187 -1.325 -11.549 4.444 1.00 0.40 C ATOM 601 O MET A 187 -1.043 -12.061 5.527 1.00 0.53 O ATOM 602 CB MET A 187 0.829 -10.747 3.422 1.00 0.44 C ATOM 603 CG MET A 187 1.976 -11.085 2.480 1.00 0.49 C ATOM 604 SD MET A 187 2.661 -12.726 2.788 1.00 0.72 S ATOM 605 CE MET A 187 4.103 -12.697 1.726 1.00 0.85 C ATOM 0 H MET A 187 -0.871 -10.445 1.610 1.00 0.30 H new ATOM 0 HA MET A 187 -0.027 -12.691 3.198 1.00 0.37 H new ATOM 0 HB2 MET A 187 0.523 -9.714 3.255 1.00 0.44 H new ATOM 0 HB3 MET A 187 1.182 -10.813 4.451 1.00 0.44 H new ATOM 0 HG2 MET A 187 1.625 -11.029 1.450 1.00 0.49 H new ATOM 0 HG3 MET A 187 2.764 -10.339 2.589 1.00 0.49 H new ATOM 0 HE1 MET A 187 4.128 -13.604 1.122 1.00 0.85 H new ATOM 0 HE2 MET A 187 4.056 -11.826 1.072 1.00 0.85 H new ATOM 0 HE3 MET A 187 5.004 -12.643 2.337 1.00 0.85 H new ATOM 615 N ARG A 188 -2.441 -10.869 4.237 1.00 0.35 N ATOM 616 CA ARG A 188 -3.512 -10.816 5.211 1.00 0.41 C ATOM 617 C ARG A 188 -4.553 -11.874 4.885 1.00 0.41 C ATOM 618 O ARG A 188 -5.345 -12.282 5.734 1.00 0.50 O ATOM 619 CB ARG A 188 -4.168 -9.444 5.172 1.00 0.47 C ATOM 620 CG ARG A 188 -3.384 -8.351 5.870 1.00 0.79 C ATOM 621 CD ARG A 188 -3.406 -8.508 7.384 1.00 0.63 C ATOM 622 NE ARG A 188 -4.684 -9.035 7.858 1.00 1.20 N ATOM 623 CZ ARG A 188 -4.831 -9.775 8.955 1.00 1.43 C ATOM 624 NH1 ARG A 188 -3.783 -10.067 9.715 1.00 1.42 N ATOM 625 NH2 ARG A 188 -6.034 -10.214 9.290 1.00 2.12 N ATOM 0 H ARG A 188 -2.627 -10.338 3.386 1.00 0.35 H new ATOM 0 HA ARG A 188 -3.102 -11.000 6.204 1.00 0.41 H new ATOM 0 HB2 ARG A 188 -4.319 -9.157 4.131 1.00 0.47 H new ATOM 0 HB3 ARG A 188 -5.155 -9.514 5.630 1.00 0.47 H new ATOM 0 HG2 ARG A 188 -2.352 -8.365 5.519 1.00 0.79 H new ATOM 0 HG3 ARG A 188 -3.799 -7.380 5.601 1.00 0.79 H new ATOM 0 HD2 ARG A 188 -2.601 -9.176 7.692 1.00 0.63 H new ATOM 0 HD3 ARG A 188 -3.215 -7.542 7.852 1.00 0.63 H new ATOM 0 HE ARG A 188 -5.519 -8.822 7.312 1.00 1.20 H new ATOM 0 HH11 ARG A 188 -2.857 -9.724 9.460 1.00 1.42 H new ATOM 0 HH12 ARG A 188 -3.904 -10.634 10.554 1.00 1.42 H new ATOM 0 HH21 ARG A 188 -6.841 -9.985 8.709 1.00 2.12 H new ATOM 0 HH22 ARG A 188 -6.154 -10.781 10.129 1.00 2.12 H new ATOM 639 N GLY A 189 -4.541 -12.300 3.632 1.00 0.37 N ATOM 640 CA GLY A 189 -5.527 -13.238 3.142 1.00 0.42 C ATOM 641 C GLY A 189 -6.578 -12.539 2.308 1.00 0.43 C ATOM 642 O GLY A 189 -7.609 -13.117 1.964 1.00 0.53 O ATOM 0 H GLY A 189 -3.855 -12.007 2.937 1.00 0.37 H new ATOM 0 HA2 GLY A 189 -5.037 -14.007 2.545 1.00 0.42 H new ATOM 0 HA3 GLY A 189 -6.002 -13.743 3.983 1.00 0.42 H new ATOM 646 N LEU A 190 -6.306 -11.284 1.986 1.00 0.37 N ATOM 647 CA LEU A 190 -7.240 -10.448 1.249 1.00 0.40 C ATOM 648 C LEU A 190 -6.887 -10.424 -0.233 1.00 0.35 C ATOM 649 O LEU A 190 -5.891 -11.014 -0.655 1.00 0.37 O ATOM 650 CB LEU A 190 -7.215 -9.021 1.804 1.00 0.45 C ATOM 651 CG LEU A 190 -7.305 -8.906 3.326 1.00 0.61 C ATOM 652 CD1 LEU A 190 -7.442 -7.453 3.747 1.00 1.05 C ATOM 653 CD2 LEU A 190 -8.457 -9.738 3.859 1.00 1.28 C ATOM 0 H LEU A 190 -5.432 -10.817 2.228 1.00 0.37 H new ATOM 0 HA LEU A 190 -8.240 -10.866 1.365 1.00 0.40 H new ATOM 0 HB2 LEU A 190 -6.296 -8.537 1.474 1.00 0.45 H new ATOM 0 HB3 LEU A 190 -8.043 -8.464 1.365 1.00 0.45 H new ATOM 0 HG LEU A 190 -6.382 -9.295 3.755 1.00 0.61 H new ATOM 0 HD11 LEU A 190 -7.505 -7.393 4.834 1.00 1.05 H new ATOM 0 HD12 LEU A 190 -6.574 -6.891 3.402 1.00 1.05 H new ATOM 0 HD13 LEU A 190 -8.346 -7.031 3.308 1.00 1.05 H new ATOM 0 HD21 LEU A 190 -8.504 -9.642 4.944 1.00 1.28 H new ATOM 0 HD22 LEU A 190 -9.392 -9.386 3.423 1.00 1.28 H new ATOM 0 HD23 LEU A 190 -8.304 -10.784 3.593 1.00 1.28 H new ATOM 665 N ILE A 191 -7.706 -9.738 -1.014 1.00 0.37 N ATOM 666 CA ILE A 191 -7.503 -9.627 -2.446 1.00 0.35 C ATOM 667 C ILE A 191 -7.553 -8.170 -2.896 1.00 0.36 C ATOM 668 O ILE A 191 -8.318 -7.369 -2.359 1.00 0.39 O ATOM 669 CB ILE A 191 -8.560 -10.431 -3.213 1.00 0.39 C ATOM 670 CG1 ILE A 191 -9.961 -10.053 -2.722 1.00 0.45 C ATOM 671 CG2 ILE A 191 -8.295 -11.915 -3.019 1.00 0.41 C ATOM 672 CD1 ILE A 191 -11.071 -10.465 -3.654 1.00 0.52 C ATOM 0 H ILE A 191 -8.530 -9.243 -0.671 1.00 0.37 H new ATOM 0 HA ILE A 191 -6.516 -10.033 -2.666 1.00 0.35 H new ATOM 0 HB ILE A 191 -8.503 -10.201 -4.277 1.00 0.39 H new ATOM 0 HG12 ILE A 191 -10.129 -10.513 -1.748 1.00 0.45 H new ATOM 0 HG13 ILE A 191 -10.005 -8.974 -2.577 1.00 0.45 H new ATOM 0 HG21 ILE A 191 -9.043 -12.492 -3.562 1.00 0.41 H new ATOM 0 HG22 ILE A 191 -7.303 -12.160 -3.398 1.00 0.41 H new ATOM 0 HG23 ILE A 191 -8.349 -12.159 -1.958 1.00 0.41 H new ATOM 0 HD11 ILE A 191 -12.030 -10.161 -3.234 1.00 0.52 H new ATOM 0 HD12 ILE A 191 -10.930 -9.985 -4.622 1.00 0.52 H new ATOM 0 HD13 ILE A 191 -11.057 -11.548 -3.781 1.00 0.52 H new ATOM 684 N PRO A 192 -6.739 -7.823 -3.904 1.00 0.39 N ATOM 685 CA PRO A 192 -6.586 -6.443 -4.380 1.00 0.43 C ATOM 686 C PRO A 192 -7.794 -5.923 -5.161 1.00 0.41 C ATOM 687 O PRO A 192 -7.835 -4.752 -5.544 1.00 0.46 O ATOM 688 CB PRO A 192 -5.359 -6.519 -5.289 1.00 0.52 C ATOM 689 CG PRO A 192 -5.347 -7.921 -5.782 1.00 0.48 C ATOM 690 CD PRO A 192 -5.885 -8.761 -4.657 1.00 0.43 C ATOM 0 HA PRO A 192 -6.488 -5.748 -3.546 1.00 0.43 H new ATOM 0 HB2 PRO A 192 -5.431 -5.809 -6.113 1.00 0.52 H new ATOM 0 HB3 PRO A 192 -4.446 -6.282 -4.743 1.00 0.52 H new ATOM 0 HG2 PRO A 192 -5.962 -8.026 -6.676 1.00 0.48 H new ATOM 0 HG3 PRO A 192 -4.337 -8.231 -6.052 1.00 0.48 H new ATOM 0 HD2 PRO A 192 -6.455 -9.612 -5.029 1.00 0.43 H new ATOM 0 HD3 PRO A 192 -5.083 -9.161 -4.036 1.00 0.43 H new ATOM 698 N GLU A 193 -8.776 -6.784 -5.387 1.00 0.39 N ATOM 699 CA GLU A 193 -9.944 -6.420 -6.180 1.00 0.43 C ATOM 700 C GLU A 193 -10.799 -5.368 -5.477 1.00 0.36 C ATOM 701 O GLU A 193 -11.144 -4.340 -6.060 1.00 0.45 O ATOM 702 CB GLU A 193 -10.804 -7.651 -6.465 1.00 0.57 C ATOM 703 CG GLU A 193 -10.050 -8.790 -7.127 1.00 0.99 C ATOM 704 CD GLU A 193 -10.973 -9.902 -7.571 1.00 1.20 C ATOM 705 OE1 GLU A 193 -11.172 -10.861 -6.798 1.00 1.73 O ATOM 706 OE2 GLU A 193 -11.516 -9.816 -8.690 1.00 1.74 O ATOM 0 H GLU A 193 -8.788 -7.740 -5.033 1.00 0.39 H new ATOM 0 HA GLU A 193 -9.576 -6.001 -7.116 1.00 0.43 H new ATOM 0 HB2 GLU A 193 -11.232 -8.008 -5.528 1.00 0.57 H new ATOM 0 HB3 GLU A 193 -11.637 -7.360 -7.105 1.00 0.57 H new ATOM 0 HG2 GLU A 193 -9.502 -8.409 -7.989 1.00 0.99 H new ATOM 0 HG3 GLU A 193 -9.312 -9.188 -6.431 1.00 0.99 H new ATOM 713 N CYS A 194 -11.115 -5.616 -4.215 1.00 0.33 N ATOM 714 CA CYS A 194 -12.098 -4.808 -3.501 1.00 0.36 C ATOM 715 C CYS A 194 -11.456 -3.703 -2.659 1.00 0.33 C ATOM 716 O CYS A 194 -12.104 -3.125 -1.789 1.00 0.49 O ATOM 717 CB CYS A 194 -12.953 -5.716 -2.617 1.00 0.48 C ATOM 718 SG CYS A 194 -13.942 -6.915 -3.542 1.00 1.69 S ATOM 0 H CYS A 194 -10.706 -6.370 -3.662 1.00 0.33 H new ATOM 0 HA CYS A 194 -12.720 -4.312 -4.246 1.00 0.36 H new ATOM 0 HB2 CYS A 194 -12.302 -6.252 -1.926 1.00 0.48 H new ATOM 0 HB3 CYS A 194 -13.619 -5.098 -2.014 1.00 0.48 H new ATOM 0 HG CYS A 194 -14.631 -7.641 -2.713 1.00 1.69 H new ATOM 724 N CYS A 195 -10.200 -3.394 -2.922 1.00 0.27 N ATOM 725 CA CYS A 195 -9.510 -2.360 -2.159 1.00 0.25 C ATOM 726 C CYS A 195 -9.123 -1.178 -3.026 1.00 0.23 C ATOM 727 O CYS A 195 -9.071 -1.280 -4.254 1.00 0.29 O ATOM 728 CB CYS A 195 -8.256 -2.926 -1.504 1.00 0.28 C ATOM 729 SG CYS A 195 -7.383 -4.137 -2.505 1.00 0.52 S ATOM 0 H CYS A 195 -9.638 -3.836 -3.649 1.00 0.27 H new ATOM 0 HA CYS A 195 -10.206 -2.014 -1.394 1.00 0.25 H new ATOM 0 HB2 CYS A 195 -7.578 -2.104 -1.274 1.00 0.28 H new ATOM 0 HB3 CYS A 195 -8.532 -3.387 -0.555 1.00 0.28 H new ATOM 0 HG CYS A 195 -6.986 -3.581 -3.611 1.00 0.52 H new ATOM 735 N ALA A 196 -8.869 -0.055 -2.374 1.00 0.26 N ATOM 736 CA ALA A 196 -8.281 1.099 -3.020 1.00 0.26 C ATOM 737 C ALA A 196 -7.039 1.517 -2.263 1.00 0.25 C ATOM 738 O ALA A 196 -6.918 1.238 -1.070 1.00 0.39 O ATOM 739 CB ALA A 196 -9.255 2.255 -3.081 1.00 0.37 C ATOM 0 H ALA A 196 -9.066 0.079 -1.382 1.00 0.26 H new ATOM 0 HA ALA A 196 -8.022 0.825 -4.043 1.00 0.26 H new ATOM 0 HB1 ALA A 196 -8.781 3.105 -3.572 1.00 0.37 H new ATOM 0 HB2 ALA A 196 -10.139 1.957 -3.645 1.00 0.37 H new ATOM 0 HB3 ALA A 196 -9.548 2.538 -2.070 1.00 0.37 H new ATOM 745 N VAL A 197 -6.125 2.181 -2.939 1.00 0.23 N ATOM 746 CA VAL A 197 -4.893 2.606 -2.295 1.00 0.23 C ATOM 747 C VAL A 197 -4.776 4.121 -2.284 1.00 0.24 C ATOM 748 O VAL A 197 -4.797 4.773 -3.328 1.00 0.36 O ATOM 749 CB VAL A 197 -3.639 2.031 -2.971 1.00 0.29 C ATOM 750 CG1 VAL A 197 -2.399 2.306 -2.134 1.00 0.94 C ATOM 751 CG2 VAL A 197 -3.796 0.549 -3.244 1.00 1.06 C ATOM 0 H VAL A 197 -6.206 2.437 -3.923 1.00 0.23 H new ATOM 0 HA VAL A 197 -4.946 2.222 -1.276 1.00 0.23 H new ATOM 0 HB VAL A 197 -3.515 2.532 -3.931 1.00 0.29 H new ATOM 0 HG11 VAL A 197 -1.524 1.890 -2.633 1.00 0.94 H new ATOM 0 HG12 VAL A 197 -2.271 3.382 -2.015 1.00 0.94 H new ATOM 0 HG13 VAL A 197 -2.512 1.844 -1.153 1.00 0.94 H new ATOM 0 HG21 VAL A 197 -2.893 0.170 -3.723 1.00 1.06 H new ATOM 0 HG22 VAL A 197 -3.958 0.021 -2.304 1.00 1.06 H new ATOM 0 HG23 VAL A 197 -4.650 0.389 -3.902 1.00 1.06 H new ATOM 761 N TYR A 198 -4.653 4.664 -1.095 1.00 0.29 N ATOM 762 CA TYR A 198 -4.433 6.082 -0.906 1.00 0.37 C ATOM 763 C TYR A 198 -3.749 6.314 0.437 1.00 0.45 C ATOM 764 O TYR A 198 -3.953 5.559 1.381 1.00 0.88 O ATOM 765 CB TYR A 198 -5.733 6.876 -1.054 1.00 0.93 C ATOM 766 CG TYR A 198 -6.779 6.632 -0.024 1.00 0.33 C ATOM 767 CD1 TYR A 198 -6.750 7.382 1.109 1.00 0.69 C ATOM 768 CD2 TYR A 198 -7.797 5.706 -0.196 1.00 0.53 C ATOM 769 CE1 TYR A 198 -7.711 7.241 2.089 1.00 1.46 C ATOM 770 CE2 TYR A 198 -8.769 5.542 0.771 1.00 1.18 C ATOM 771 CZ TYR A 198 -8.724 6.316 1.916 1.00 1.70 C ATOM 772 OH TYR A 198 -9.700 6.182 2.880 1.00 2.49 O ATOM 0 H TYR A 198 -4.703 4.133 -0.226 1.00 0.29 H new ATOM 0 HA TYR A 198 -3.771 6.452 -1.689 1.00 0.37 H new ATOM 0 HB2 TYR A 198 -5.487 7.938 -1.046 1.00 0.93 H new ATOM 0 HB3 TYR A 198 -6.159 6.654 -2.033 1.00 0.93 H new ATOM 0 HD1 TYR A 198 -5.958 8.104 1.245 1.00 0.69 H new ATOM 0 HD2 TYR A 198 -7.830 5.108 -1.095 1.00 0.53 H new ATOM 0 HE1 TYR A 198 -7.672 7.847 2.982 1.00 1.46 H new ATOM 0 HE2 TYR A 198 -9.557 4.816 0.634 1.00 1.18 H new ATOM 0 HH TYR A 198 -10.338 5.490 2.606 1.00 2.49 H new ATOM 934 N ILE A 208 -3.458 7.492 -4.199 1.00 0.36 N ATOM 935 CA ILE A 208 -2.454 6.971 -5.102 1.00 0.36 C ATOM 936 C ILE A 208 -3.107 6.127 -6.187 1.00 0.32 C ATOM 937 O ILE A 208 -4.264 5.725 -6.058 1.00 0.44 O ATOM 938 CB ILE A 208 -1.465 6.101 -4.314 1.00 0.42 C ATOM 939 CG1 ILE A 208 -1.174 6.762 -2.974 1.00 0.56 C ATOM 940 CG2 ILE A 208 -0.180 5.902 -5.097 1.00 0.52 C ATOM 941 CD1 ILE A 208 -0.596 5.831 -1.947 1.00 0.90 C ATOM 0 HA ILE A 208 -1.930 7.806 -5.567 1.00 0.36 H new ATOM 0 HB ILE A 208 -1.909 5.120 -4.146 1.00 0.42 H new ATOM 0 HG12 ILE A 208 -0.481 7.589 -3.131 1.00 0.56 H new ATOM 0 HG13 ILE A 208 -2.097 7.190 -2.583 1.00 0.56 H new ATOM 0 HG21 ILE A 208 0.506 5.283 -4.519 1.00 0.52 H new ATOM 0 HG22 ILE A 208 -0.403 5.410 -6.044 1.00 0.52 H new ATOM 0 HG23 ILE A 208 0.281 6.870 -5.291 1.00 0.52 H new ATOM 0 HD11 ILE A 208 -0.417 6.377 -1.021 1.00 0.90 H new ATOM 0 HD12 ILE A 208 -1.296 5.017 -1.759 1.00 0.90 H new ATOM 0 HD13 ILE A 208 0.345 5.422 -2.315 1.00 0.90 H new ATOM 953 N GLY A 209 -2.370 5.868 -7.251 1.00 0.34 N ATOM 954 CA GLY A 209 -2.871 5.021 -8.305 1.00 0.37 C ATOM 955 C GLY A 209 -2.350 3.610 -8.167 1.00 0.31 C ATOM 956 O GLY A 209 -1.217 3.408 -7.737 1.00 0.33 O ATOM 0 H GLY A 209 -1.429 6.231 -7.403 1.00 0.34 H new ATOM 0 HA2 GLY A 209 -3.961 5.013 -8.281 1.00 0.37 H new ATOM 0 HA3 GLY A 209 -2.576 5.427 -9.273 1.00 0.37 H new ATOM 960 N TRP A 210 -3.161 2.632 -8.537 1.00 0.29 N ATOM 961 CA TRP A 210 -2.738 1.237 -8.489 1.00 0.27 C ATOM 962 C TRP A 210 -1.628 0.984 -9.510 1.00 0.27 C ATOM 963 O TRP A 210 -0.912 -0.014 -9.438 1.00 0.30 O ATOM 964 CB TRP A 210 -3.929 0.305 -8.737 1.00 0.31 C ATOM 965 CG TRP A 210 -4.828 0.152 -7.542 1.00 0.28 C ATOM 966 CD1 TRP A 210 -5.777 1.028 -7.101 1.00 0.31 C ATOM 967 CD2 TRP A 210 -4.856 -0.955 -6.637 1.00 0.26 C ATOM 968 NE1 TRP A 210 -6.389 0.537 -5.968 1.00 0.30 N ATOM 969 CE2 TRP A 210 -5.841 -0.687 -5.663 1.00 0.26 C ATOM 970 CE3 TRP A 210 -4.138 -2.146 -6.560 1.00 0.29 C ATOM 971 CZ2 TRP A 210 -6.117 -1.583 -4.619 1.00 0.26 C ATOM 972 CZ3 TRP A 210 -4.411 -3.025 -5.533 1.00 0.31 C ATOM 973 CH2 TRP A 210 -5.391 -2.740 -4.578 1.00 0.29 C ATOM 0 H TRP A 210 -4.113 2.775 -8.873 1.00 0.29 H new ATOM 0 HA TRP A 210 -2.344 1.026 -7.495 1.00 0.27 H new ATOM 0 HB2 TRP A 210 -4.512 0.688 -9.574 1.00 0.31 H new ATOM 0 HB3 TRP A 210 -3.557 -0.677 -9.031 1.00 0.31 H new ATOM 0 HD1 TRP A 210 -6.014 1.970 -7.572 1.00 0.31 H new ATOM 0 HE1 TRP A 210 -7.127 1.005 -5.442 1.00 0.30 H new ATOM 0 HE3 TRP A 210 -3.379 -2.378 -7.293 1.00 0.29 H new ATOM 0 HZ2 TRP A 210 -6.872 -1.367 -3.878 1.00 0.26 H new ATOM 0 HZ3 TRP A 210 -3.858 -3.950 -5.465 1.00 0.31 H new ATOM 0 HH2 TRP A 210 -5.579 -3.452 -3.788 1.00 0.29 H new ATOM 984 N ASP A 211 -1.482 1.913 -10.448 1.00 0.27 N ATOM 985 CA ASP A 211 -0.452 1.826 -11.480 1.00 0.29 C ATOM 986 C ASP A 211 0.742 2.710 -11.129 1.00 0.25 C ATOM 987 O ASP A 211 1.668 2.858 -11.923 1.00 0.32 O ATOM 988 CB ASP A 211 -1.018 2.243 -12.840 1.00 0.39 C ATOM 989 CG ASP A 211 -1.420 3.704 -12.876 1.00 1.49 C ATOM 990 OD1 ASP A 211 -0.653 4.526 -13.419 1.00 2.30 O ATOM 991 OD2 ASP A 211 -2.503 4.039 -12.357 1.00 2.30 O ATOM 0 H ASP A 211 -2.070 2.744 -10.516 1.00 0.27 H new ATOM 0 HA ASP A 211 -0.119 0.790 -11.535 1.00 0.29 H new ATOM 0 HB2 ASP A 211 -0.273 2.055 -13.613 1.00 0.39 H new ATOM 0 HB3 ASP A 211 -1.885 1.625 -13.075 1.00 0.39 H new ATOM 996 N THR A 212 0.710 3.299 -9.944 1.00 0.23 N ATOM 997 CA THR A 212 1.813 4.114 -9.462 1.00 0.23 C ATOM 998 C THR A 212 3.020 3.235 -9.141 1.00 0.21 C ATOM 999 O THR A 212 2.870 2.145 -8.592 1.00 0.26 O ATOM 1000 CB THR A 212 1.380 4.917 -8.211 1.00 0.25 C ATOM 1001 OG1 THR A 212 0.417 5.916 -8.586 1.00 0.30 O ATOM 1002 CG2 THR A 212 2.560 5.581 -7.508 1.00 0.31 C ATOM 0 H THR A 212 -0.073 3.227 -9.295 1.00 0.23 H new ATOM 0 HA THR A 212 2.096 4.818 -10.245 1.00 0.23 H new ATOM 0 HB THR A 212 0.937 4.211 -7.509 1.00 0.25 H new ATOM 0 HG1 THR A 212 0.493 6.686 -7.984 1.00 0.30 H new ATOM 0 HG21 THR A 212 2.202 6.131 -6.638 1.00 0.31 H new ATOM 0 HG22 THR A 212 3.269 4.818 -7.188 1.00 0.31 H new ATOM 0 HG23 THR A 212 3.052 6.269 -8.195 1.00 0.31 H new ATOM 1010 N ASP A 213 4.203 3.687 -9.530 1.00 0.23 N ATOM 1011 CA ASP A 213 5.436 2.968 -9.222 1.00 0.25 C ATOM 1012 C ASP A 213 5.720 3.065 -7.726 1.00 0.23 C ATOM 1013 O ASP A 213 5.960 4.155 -7.201 1.00 0.29 O ATOM 1014 CB ASP A 213 6.608 3.546 -10.021 1.00 0.32 C ATOM 1015 CG ASP A 213 7.838 2.659 -9.985 1.00 0.93 C ATOM 1016 OD1 ASP A 213 8.273 2.275 -8.882 1.00 1.73 O ATOM 1017 OD2 ASP A 213 8.389 2.358 -11.067 1.00 1.66 O ATOM 0 H ASP A 213 4.338 4.548 -10.060 1.00 0.23 H new ATOM 0 HA ASP A 213 5.316 1.921 -9.500 1.00 0.25 H new ATOM 0 HB2 ASP A 213 6.300 3.690 -11.057 1.00 0.32 H new ATOM 0 HB3 ASP A 213 6.863 4.529 -9.624 1.00 0.32 H new ATOM 1022 N ILE A 214 5.703 1.923 -7.048 1.00 0.23 N ATOM 1023 CA ILE A 214 5.769 1.890 -5.588 1.00 0.21 C ATOM 1024 C ILE A 214 7.145 2.313 -5.058 1.00 0.19 C ATOM 1025 O ILE A 214 7.269 2.754 -3.915 1.00 0.21 O ATOM 1026 CB ILE A 214 5.399 0.487 -5.035 1.00 0.22 C ATOM 1027 CG1 ILE A 214 5.448 0.493 -3.506 1.00 0.24 C ATOM 1028 CG2 ILE A 214 6.309 -0.595 -5.608 1.00 0.26 C ATOM 1029 CD1 ILE A 214 5.169 -0.846 -2.882 1.00 0.29 C ATOM 0 H ILE A 214 5.644 1.004 -7.486 1.00 0.23 H new ATOM 0 HA ILE A 214 5.035 2.614 -5.233 1.00 0.21 H new ATOM 0 HB ILE A 214 4.382 0.254 -5.349 1.00 0.22 H new ATOM 0 HG12 ILE A 214 6.432 0.834 -3.185 1.00 0.24 H new ATOM 0 HG13 ILE A 214 4.723 1.215 -3.132 1.00 0.24 H new ATOM 0 HG21 ILE A 214 6.023 -1.565 -5.200 1.00 0.26 H new ATOM 0 HG22 ILE A 214 6.212 -0.615 -6.693 1.00 0.26 H new ATOM 0 HG23 ILE A 214 7.343 -0.380 -5.340 1.00 0.26 H new ATOM 0 HD11 ILE A 214 5.222 -0.760 -1.797 1.00 0.29 H new ATOM 0 HD12 ILE A 214 4.173 -1.182 -3.171 1.00 0.29 H new ATOM 0 HD13 ILE A 214 5.909 -1.569 -3.225 1.00 0.29 H new ATOM 1041 N SER A 215 8.165 2.231 -5.898 1.00 0.21 N ATOM 1042 CA SER A 215 9.531 2.524 -5.473 1.00 0.23 C ATOM 1043 C SER A 215 9.725 4.027 -5.218 1.00 0.25 C ATOM 1044 O SER A 215 10.788 4.466 -4.778 1.00 0.31 O ATOM 1045 CB SER A 215 10.522 2.004 -6.521 1.00 0.31 C ATOM 1046 OG SER A 215 10.460 2.759 -7.719 1.00 1.07 O ATOM 0 H SER A 215 8.076 1.964 -6.878 1.00 0.21 H new ATOM 0 HA SER A 215 9.721 2.013 -4.529 1.00 0.23 H new ATOM 0 HB2 SER A 215 11.534 2.044 -6.117 1.00 0.31 H new ATOM 0 HB3 SER A 215 10.307 0.958 -6.738 1.00 0.31 H new ATOM 0 HG SER A 215 9.542 2.755 -8.061 1.00 1.07 H new ATOM 1052 N TRP A 216 8.705 4.817 -5.544 1.00 0.25 N ATOM 1053 CA TRP A 216 8.717 6.249 -5.260 1.00 0.33 C ATOM 1054 C TRP A 216 8.081 6.544 -3.892 1.00 0.33 C ATOM 1055 O TRP A 216 8.257 7.622 -3.325 1.00 0.45 O ATOM 1056 CB TRP A 216 7.978 6.993 -6.379 1.00 0.40 C ATOM 1057 CG TRP A 216 7.941 8.481 -6.207 1.00 1.13 C ATOM 1058 CD1 TRP A 216 9.009 9.329 -6.174 1.00 1.75 C ATOM 1059 CD2 TRP A 216 6.773 9.296 -6.058 1.00 1.92 C ATOM 1060 NE1 TRP A 216 8.576 10.620 -5.998 1.00 2.60 N ATOM 1061 CE2 TRP A 216 7.209 10.626 -5.929 1.00 2.73 C ATOM 1062 CE3 TRP A 216 5.400 9.030 -6.020 1.00 2.29 C ATOM 1063 CZ2 TRP A 216 6.323 11.687 -5.763 1.00 3.66 C ATOM 1064 CZ3 TRP A 216 4.522 10.084 -5.857 1.00 3.27 C ATOM 1065 CH2 TRP A 216 4.986 11.398 -5.729 1.00 3.87 C ATOM 0 H TRP A 216 7.857 4.488 -6.006 1.00 0.25 H new ATOM 0 HA TRP A 216 9.750 6.596 -5.221 1.00 0.33 H new ATOM 0 HB2 TRP A 216 8.455 6.760 -7.331 1.00 0.40 H new ATOM 0 HB3 TRP A 216 6.956 6.619 -6.435 1.00 0.40 H new ATOM 0 HD1 TRP A 216 10.042 9.029 -6.272 1.00 1.75 H new ATOM 0 HE1 TRP A 216 9.176 11.442 -5.930 1.00 2.60 H new ATOM 0 HE3 TRP A 216 5.033 8.019 -6.116 1.00 2.29 H new ATOM 0 HZ2 TRP A 216 6.678 12.702 -5.665 1.00 3.66 H new ATOM 0 HZ3 TRP A 216 3.460 9.891 -5.828 1.00 3.27 H new ATOM 0 HH2 TRP A 216 4.274 12.200 -5.601 1.00 3.87 H new ATOM 1076 N LEU A 217 7.346 5.568 -3.369 1.00 0.25 N ATOM 1077 CA LEU A 217 6.589 5.720 -2.127 1.00 0.26 C ATOM 1078 C LEU A 217 7.338 5.116 -0.956 1.00 0.24 C ATOM 1079 O LEU A 217 6.805 4.936 0.137 1.00 0.25 O ATOM 1080 CB LEU A 217 5.221 5.069 -2.299 1.00 0.26 C ATOM 1081 CG LEU A 217 4.296 5.858 -3.213 1.00 0.47 C ATOM 1082 CD1 LEU A 217 4.737 5.794 -4.659 1.00 1.21 C ATOM 1083 CD2 LEU A 217 2.858 5.404 -3.093 1.00 0.92 C ATOM 0 H LEU A 217 7.257 4.645 -3.795 1.00 0.25 H new ATOM 0 HA LEU A 217 6.458 6.780 -1.911 1.00 0.26 H new ATOM 0 HB2 LEU A 217 5.351 4.065 -2.703 1.00 0.26 H new ATOM 0 HB3 LEU A 217 4.751 4.961 -1.321 1.00 0.26 H new ATOM 0 HG LEU A 217 4.357 6.895 -2.881 1.00 0.47 H new ATOM 0 HD11 LEU A 217 4.048 6.371 -5.275 1.00 1.21 H new ATOM 0 HD12 LEU A 217 5.741 6.208 -4.752 1.00 1.21 H new ATOM 0 HD13 LEU A 217 4.740 4.756 -4.993 1.00 1.21 H new ATOM 0 HD21 LEU A 217 2.233 5.994 -3.763 1.00 0.92 H new ATOM 0 HD22 LEU A 217 2.785 4.350 -3.363 1.00 0.92 H new ATOM 0 HD23 LEU A 217 2.518 5.540 -2.066 1.00 0.92 H new ATOM 1095 N THR A 218 8.578 4.816 -1.230 1.00 0.25 N ATOM 1096 CA THR A 218 9.510 4.256 -0.261 1.00 0.26 C ATOM 1097 C THR A 218 9.554 5.032 1.052 1.00 0.28 C ATOM 1098 O THR A 218 9.555 6.266 1.061 1.00 0.32 O ATOM 1099 CB THR A 218 10.924 4.260 -0.832 1.00 0.31 C ATOM 1100 OG1 THR A 218 10.891 3.844 -2.195 1.00 0.32 O ATOM 1101 CG2 THR A 218 11.798 3.334 -0.024 1.00 0.39 C ATOM 0 H THR A 218 8.989 4.954 -2.153 1.00 0.25 H new ATOM 0 HA THR A 218 9.153 3.246 -0.059 1.00 0.26 H new ATOM 0 HB THR A 218 11.335 5.268 -0.781 1.00 0.31 H new ATOM 0 HG1 THR A 218 10.864 4.632 -2.777 1.00 0.32 H new ATOM 0 HG21 THR A 218 12.808 3.338 -0.433 1.00 0.39 H new ATOM 0 HG22 THR A 218 11.825 3.671 1.012 1.00 0.39 H new ATOM 0 HG23 THR A 218 11.393 2.323 -0.066 1.00 0.39 H new ATOM 1109 N GLY A 219 9.610 4.295 2.161 1.00 0.30 N ATOM 1110 CA GLY A 219 9.777 4.903 3.466 1.00 0.37 C ATOM 1111 C GLY A 219 8.535 5.620 3.941 1.00 0.38 C ATOM 1112 O GLY A 219 8.491 6.136 5.058 1.00 0.53 O ATOM 0 H GLY A 219 9.542 3.277 2.174 1.00 0.30 H new ATOM 0 HA2 GLY A 219 10.045 4.133 4.189 1.00 0.37 H new ATOM 0 HA3 GLY A 219 10.607 5.609 3.429 1.00 0.37 H new ATOM 1116 N GLU A 220 7.521 5.637 3.099 1.00 0.29 N ATOM 1117 CA GLU A 220 6.284 6.330 3.407 1.00 0.29 C ATOM 1118 C GLU A 220 5.147 5.330 3.524 1.00 0.28 C ATOM 1119 O GLU A 220 4.991 4.466 2.673 1.00 0.40 O ATOM 1120 CB GLU A 220 5.989 7.377 2.331 1.00 0.36 C ATOM 1121 CG GLU A 220 7.088 8.421 2.204 1.00 1.26 C ATOM 1122 CD GLU A 220 6.766 9.493 1.189 1.00 1.53 C ATOM 1123 OE1 GLU A 220 6.850 9.215 -0.024 1.00 2.02 O ATOM 1124 OE2 GLU A 220 6.406 10.617 1.597 1.00 2.16 O ATOM 0 H GLU A 220 7.529 5.175 2.189 1.00 0.29 H new ATOM 0 HA GLU A 220 6.385 6.845 4.362 1.00 0.29 H new ATOM 0 HB2 GLU A 220 5.857 6.877 1.371 1.00 0.36 H new ATOM 0 HB3 GLU A 220 5.047 7.874 2.564 1.00 0.36 H new ATOM 0 HG2 GLU A 220 7.255 8.886 3.176 1.00 1.26 H new ATOM 0 HG3 GLU A 220 8.019 7.929 1.922 1.00 1.26 H new ATOM 1131 N GLU A 221 4.368 5.438 4.585 1.00 0.30 N ATOM 1132 CA GLU A 221 3.323 4.464 4.851 1.00 0.30 C ATOM 1133 C GLU A 221 2.069 4.788 4.073 1.00 0.31 C ATOM 1134 O GLU A 221 1.636 5.939 3.992 1.00 0.38 O ATOM 1135 CB GLU A 221 3.008 4.385 6.341 1.00 0.38 C ATOM 1136 CG GLU A 221 4.212 4.040 7.197 1.00 0.46 C ATOM 1137 CD GLU A 221 3.847 3.786 8.639 1.00 1.26 C ATOM 1138 OE1 GLU A 221 3.825 2.608 9.048 1.00 2.01 O ATOM 1139 OE2 GLU A 221 3.608 4.764 9.375 1.00 2.03 O ATOM 0 H GLU A 221 4.438 6.187 5.274 1.00 0.30 H new ATOM 0 HA GLU A 221 3.693 3.492 4.525 1.00 0.30 H new ATOM 0 HB2 GLU A 221 2.601 5.341 6.669 1.00 0.38 H new ATOM 0 HB3 GLU A 221 2.232 3.636 6.501 1.00 0.38 H new ATOM 0 HG2 GLU A 221 4.701 3.156 6.789 1.00 0.46 H new ATOM 0 HG3 GLU A 221 4.934 4.855 7.147 1.00 0.46 H new ATOM 1146 N LEU A 222 1.499 3.752 3.500 1.00 0.26 N ATOM 1147 CA LEU A 222 0.342 3.876 2.648 1.00 0.27 C ATOM 1148 C LEU A 222 -0.896 3.315 3.340 1.00 0.25 C ATOM 1149 O LEU A 222 -0.786 2.654 4.370 1.00 0.32 O ATOM 1150 CB LEU A 222 0.619 3.109 1.363 1.00 0.29 C ATOM 1151 CG LEU A 222 1.887 3.521 0.615 1.00 0.54 C ATOM 1152 CD1 LEU A 222 1.989 2.770 -0.702 1.00 1.19 C ATOM 1153 CD2 LEU A 222 1.915 5.023 0.384 1.00 1.19 C ATOM 0 H LEU A 222 1.829 2.794 3.614 1.00 0.26 H new ATOM 0 HA LEU A 222 0.153 4.927 2.428 1.00 0.27 H new ATOM 0 HB2 LEU A 222 0.686 2.047 1.601 1.00 0.29 H new ATOM 0 HB3 LEU A 222 -0.233 3.233 0.695 1.00 0.29 H new ATOM 0 HG LEU A 222 2.749 3.261 1.229 1.00 0.54 H new ATOM 0 HD11 LEU A 222 2.896 3.073 -1.224 1.00 1.19 H new ATOM 0 HD12 LEU A 222 2.023 1.698 -0.508 1.00 1.19 H new ATOM 0 HD13 LEU A 222 1.121 3.000 -1.320 1.00 1.19 H new ATOM 0 HD21 LEU A 222 2.826 5.292 -0.150 1.00 1.19 H new ATOM 0 HD22 LEU A 222 1.048 5.316 -0.208 1.00 1.19 H new ATOM 0 HD23 LEU A 222 1.891 5.539 1.344 1.00 1.19 H new ATOM 1165 N HIS A 223 -2.071 3.585 2.784 1.00 0.24 N ATOM 1166 CA HIS A 223 -3.306 3.012 3.300 1.00 0.26 C ATOM 1167 C HIS A 223 -4.086 2.328 2.194 1.00 0.28 C ATOM 1168 O HIS A 223 -4.227 2.857 1.090 1.00 0.46 O ATOM 1169 CB HIS A 223 -4.182 4.077 3.961 1.00 0.45 C ATOM 1170 CG HIS A 223 -4.060 4.107 5.446 1.00 0.94 C ATOM 1171 ND1 HIS A 223 -4.950 3.469 6.279 1.00 1.30 N ATOM 1172 CD2 HIS A 223 -3.147 4.693 6.248 1.00 1.85 C ATOM 1173 CE1 HIS A 223 -4.587 3.656 7.531 1.00 2.26 C ATOM 1174 NE2 HIS A 223 -3.495 4.396 7.541 1.00 2.63 N ATOM 0 H HIS A 223 -2.194 4.196 1.977 1.00 0.24 H new ATOM 0 HA HIS A 223 -3.030 2.274 4.053 1.00 0.26 H new ATOM 0 HB2 HIS A 223 -3.914 5.055 3.562 1.00 0.45 H new ATOM 0 HB3 HIS A 223 -5.223 3.898 3.693 1.00 0.45 H new ATOM 0 HD1 HIS A 223 -5.764 2.935 5.974 1.00 1.30 H new ATOM 0 HD2 HIS A 223 -2.301 5.285 5.931 1.00 1.85 H new ATOM 0 HE1 HIS A 223 -5.096 3.269 8.401 1.00 2.26 H new ATOM 1183 N VAL A 224 -4.565 1.141 2.489 1.00 0.27 N ATOM 1184 CA VAL A 224 -5.434 0.418 1.587 1.00 0.34 C ATOM 1185 C VAL A 224 -6.801 0.274 2.223 1.00 0.38 C ATOM 1186 O VAL A 224 -6.954 -0.358 3.267 1.00 0.51 O ATOM 1187 CB VAL A 224 -4.869 -0.965 1.230 1.00 0.55 C ATOM 1188 CG1 VAL A 224 -5.856 -1.742 0.385 1.00 0.91 C ATOM 1189 CG2 VAL A 224 -3.572 -0.816 0.477 1.00 0.97 C ATOM 0 H VAL A 224 -4.364 0.649 3.360 1.00 0.27 H new ATOM 0 HA VAL A 224 -5.510 0.985 0.659 1.00 0.34 H new ATOM 0 HB VAL A 224 -4.690 -1.511 2.157 1.00 0.55 H new ATOM 0 HG11 VAL A 224 -5.437 -2.719 0.142 1.00 0.91 H new ATOM 0 HG12 VAL A 224 -6.785 -1.873 0.939 1.00 0.91 H new ATOM 0 HG13 VAL A 224 -6.057 -1.194 -0.536 1.00 0.91 H new ATOM 0 HG21 VAL A 224 -3.180 -1.802 0.229 1.00 0.97 H new ATOM 0 HG22 VAL A 224 -3.746 -0.253 -0.440 1.00 0.97 H new ATOM 0 HG23 VAL A 224 -2.850 -0.284 1.097 1.00 0.97 H new ATOM 1199 N GLU A 225 -7.784 0.877 1.595 1.00 0.38 N ATOM 1200 CA GLU A 225 -9.108 0.960 2.164 1.00 0.49 C ATOM 1201 C GLU A 225 -10.111 0.287 1.242 1.00 0.39 C ATOM 1202 O GLU A 225 -10.087 0.496 0.030 1.00 0.46 O ATOM 1203 CB GLU A 225 -9.462 2.428 2.386 1.00 0.68 C ATOM 1204 CG GLU A 225 -8.416 3.178 3.206 1.00 0.93 C ATOM 1205 CD GLU A 225 -8.369 2.741 4.659 1.00 1.32 C ATOM 1206 OE1 GLU A 225 -9.420 2.332 5.201 1.00 1.78 O ATOM 1207 OE2 GLU A 225 -7.288 2.843 5.278 1.00 1.94 O ATOM 0 H GLU A 225 -7.689 1.321 0.682 1.00 0.38 H new ATOM 0 HA GLU A 225 -9.136 0.443 3.123 1.00 0.49 H new ATOM 0 HB2 GLU A 225 -9.577 2.918 1.419 1.00 0.68 H new ATOM 0 HB3 GLU A 225 -10.425 2.491 2.892 1.00 0.68 H new ATOM 0 HG2 GLU A 225 -7.435 3.027 2.756 1.00 0.93 H new ATOM 0 HG3 GLU A 225 -8.626 4.247 3.161 1.00 0.93 H new ATOM 1214 N VAL A 226 -10.971 -0.535 1.818 1.00 0.50 N ATOM 1215 CA VAL A 226 -11.933 -1.310 1.047 1.00 0.48 C ATOM 1216 C VAL A 226 -12.920 -0.400 0.329 1.00 0.52 C ATOM 1217 O VAL A 226 -13.506 0.502 0.931 1.00 0.69 O ATOM 1218 CB VAL A 226 -12.713 -2.298 1.938 1.00 0.64 C ATOM 1219 CG1 VAL A 226 -13.590 -3.215 1.098 1.00 1.12 C ATOM 1220 CG2 VAL A 226 -11.754 -3.109 2.788 1.00 1.12 C ATOM 0 H VAL A 226 -11.024 -0.685 2.826 1.00 0.50 H new ATOM 0 HA VAL A 226 -11.362 -1.876 0.311 1.00 0.48 H new ATOM 0 HB VAL A 226 -13.363 -1.723 2.597 1.00 0.64 H new ATOM 0 HG11 VAL A 226 -14.129 -3.902 1.751 1.00 1.12 H new ATOM 0 HG12 VAL A 226 -14.304 -2.617 0.532 1.00 1.12 H new ATOM 0 HG13 VAL A 226 -12.966 -3.784 0.409 1.00 1.12 H new ATOM 0 HG21 VAL A 226 -12.318 -3.802 3.412 1.00 1.12 H new ATOM 0 HG22 VAL A 226 -11.079 -3.670 2.141 1.00 1.12 H new ATOM 0 HG23 VAL A 226 -11.174 -2.439 3.423 1.00 1.12 H new