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 194 CYS SG : rot 32:sc= 0.0945 USER MOD Set 1.2: A 195 CYS SG : rot 100:sc= 0.679 USER MOD Set 2.1: A 164 LYS NZ :NH3+ 160:sc= 1.21 (180deg=0.668) USER MOD Set 2.2: A 223 HIS : no HE2:sc= 1.21 K(o=2.4,f=-4.2!) USER MOD Single : A 163 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 165 GLN : amide:sc= 0.416 K(o=0.42,f=-4.6!) USER MOD Single : A 167 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 173 CYS SG : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 180 SER OG : rot -130:sc= -0.244 USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 LYS NZ :NH3+ -136:sc= -0.149 (180deg=-2.2!) USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 187 MET CE :methyl 178:sc= -0.0729 (180deg=-0.0767) USER MOD Single : A 198 TYR OH : rot -176:sc= -0.417 USER MOD Single : A 212 THR OG1 : rot -170:sc=-0.00192 USER MOD Single : A 215 SER OG : rot -80:sc= 1.05 USER MOD Single : A 218 THR OG1 : rot 87:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 155 14.989 -0.546 0.935 1.00 0.42 N ATOM 66 CA PRO A 155 13.818 0.319 0.967 1.00 0.38 C ATOM 67 C PRO A 155 12.535 -0.480 1.134 1.00 0.33 C ATOM 68 O PRO A 155 12.374 -1.540 0.530 1.00 0.33 O ATOM 69 CB PRO A 155 13.870 0.976 -0.402 1.00 0.40 C ATOM 70 CG PRO A 155 14.404 -0.088 -1.284 1.00 0.39 C ATOM 71 CD PRO A 155 15.426 -0.816 -0.454 1.00 0.43 C ATOM 0 HA PRO A 155 13.823 1.022 1.800 1.00 0.38 H new ATOM 0 HB2 PRO A 155 12.883 1.306 -0.725 1.00 0.40 H new ATOM 0 HB3 PRO A 155 14.515 1.855 -0.400 1.00 0.40 H new ATOM 0 HG2 PRO A 155 13.612 -0.761 -1.612 1.00 0.39 H new ATOM 0 HG3 PRO A 155 14.855 0.335 -2.182 1.00 0.39 H new ATOM 0 HD2 PRO A 155 15.436 -1.884 -0.673 1.00 0.43 H new ATOM 0 HD3 PRO A 155 16.434 -0.444 -0.639 1.00 0.43 H new ATOM 79 N ILE A 156 11.624 0.017 1.950 1.00 0.33 N ATOM 80 CA ILE A 156 10.378 -0.687 2.209 1.00 0.29 C ATOM 81 C ILE A 156 9.204 0.286 2.290 1.00 0.29 C ATOM 82 O ILE A 156 9.326 1.373 2.852 1.00 0.37 O ATOM 83 CB ILE A 156 10.452 -1.512 3.518 1.00 0.31 C ATOM 84 CG1 ILE A 156 10.832 -0.609 4.699 1.00 0.38 C ATOM 85 CG2 ILE A 156 11.442 -2.673 3.385 1.00 0.37 C ATOM 86 CD1 ILE A 156 10.762 -1.298 6.046 1.00 0.79 C ATOM 0 H ILE A 156 11.721 0.904 2.445 1.00 0.33 H new ATOM 0 HA ILE A 156 10.221 -1.370 1.374 1.00 0.29 H new ATOM 0 HB ILE A 156 9.465 -1.935 3.707 1.00 0.31 H new ATOM 0 HG12 ILE A 156 11.844 -0.234 4.546 1.00 0.38 H new ATOM 0 HG13 ILE A 156 10.169 0.256 4.710 1.00 0.38 H new ATOM 0 HG21 ILE A 156 11.473 -3.234 4.319 1.00 0.37 H new ATOM 0 HG22 ILE A 156 11.124 -3.331 2.577 1.00 0.37 H new ATOM 0 HG23 ILE A 156 12.435 -2.281 3.165 1.00 0.37 H new ATOM 0 HD11 ILE A 156 11.045 -0.595 6.829 1.00 0.79 H new ATOM 0 HD12 ILE A 156 9.745 -1.649 6.223 1.00 0.79 H new ATOM 0 HD13 ILE A 156 11.446 -2.147 6.056 1.00 0.79 H new ATOM 98 N VAL A 157 8.077 -0.102 1.710 1.00 0.25 N ATOM 99 CA VAL A 157 6.858 0.676 1.805 1.00 0.27 C ATOM 100 C VAL A 157 5.836 -0.095 2.632 1.00 0.21 C ATOM 101 O VAL A 157 5.434 -1.205 2.277 1.00 0.25 O ATOM 102 CB VAL A 157 6.254 1.017 0.422 1.00 0.38 C ATOM 103 CG1 VAL A 157 4.948 1.787 0.598 1.00 1.05 C ATOM 104 CG2 VAL A 157 7.229 1.825 -0.433 1.00 0.91 C ATOM 0 H VAL A 157 7.986 -0.959 1.165 1.00 0.25 H new ATOM 0 HA VAL A 157 7.111 1.622 2.284 1.00 0.27 H new ATOM 0 HB VAL A 157 6.055 0.079 -0.097 1.00 0.38 H new ATOM 0 HG11 VAL A 157 4.530 2.023 -0.381 1.00 1.05 H new ATOM 0 HG12 VAL A 157 4.239 1.177 1.158 1.00 1.05 H new ATOM 0 HG13 VAL A 157 5.141 2.711 1.142 1.00 1.05 H new ATOM 0 HG21 VAL A 157 6.771 2.046 -1.397 1.00 0.91 H new ATOM 0 HG22 VAL A 157 7.472 2.758 0.076 1.00 0.91 H new ATOM 0 HG23 VAL A 157 8.141 1.248 -0.589 1.00 0.91 H new ATOM 114 N ARG A 158 5.436 0.496 3.738 1.00 0.21 N ATOM 115 CA ARG A 158 4.552 -0.151 4.693 1.00 0.21 C ATOM 116 C ARG A 158 3.112 0.275 4.460 1.00 0.21 C ATOM 117 O ARG A 158 2.769 1.441 4.614 1.00 0.32 O ATOM 118 CB ARG A 158 4.982 0.203 6.114 1.00 0.26 C ATOM 119 CG ARG A 158 6.409 -0.216 6.439 1.00 0.29 C ATOM 120 CD ARG A 158 7.014 0.639 7.533 1.00 0.49 C ATOM 121 NE ARG A 158 7.231 2.021 7.101 1.00 1.36 N ATOM 122 CZ ARG A 158 7.570 3.011 7.925 1.00 1.81 C ATOM 123 NH1 ARG A 158 7.714 2.779 9.222 1.00 1.70 N ATOM 124 NH2 ARG A 158 7.766 4.234 7.454 1.00 2.87 N ATOM 0 H ARG A 158 5.714 1.441 4.004 1.00 0.21 H new ATOM 0 HA ARG A 158 4.617 -1.231 4.557 1.00 0.21 H new ATOM 0 HB2 ARG A 158 4.886 1.279 6.256 1.00 0.26 H new ATOM 0 HB3 ARG A 158 4.302 -0.274 6.820 1.00 0.26 H new ATOM 0 HG2 ARG A 158 6.419 -1.261 6.748 1.00 0.29 H new ATOM 0 HG3 ARG A 158 7.022 -0.143 5.541 1.00 0.29 H new ATOM 0 HD2 ARG A 158 6.357 0.631 8.403 1.00 0.49 H new ATOM 0 HD3 ARG A 158 7.963 0.205 7.847 1.00 0.49 H new ATOM 0 HE ARG A 158 7.116 2.238 6.111 1.00 1.36 H new ATOM 0 HH11 ARG A 158 7.565 1.840 9.592 1.00 1.70 H new ATOM 0 HH12 ARG A 158 7.974 3.539 9.850 1.00 1.70 H new ATOM 0 HH21 ARG A 158 7.657 4.420 6.457 1.00 2.87 H new ATOM 0 HH22 ARG A 158 8.025 4.989 8.088 1.00 2.87 H new ATOM 138 N VAL A 159 2.275 -0.676 4.086 1.00 0.20 N ATOM 139 CA VAL A 159 0.879 -0.391 3.776 1.00 0.21 C ATOM 140 C VAL A 159 -0.047 -0.871 4.875 1.00 0.23 C ATOM 141 O VAL A 159 -0.016 -2.032 5.257 1.00 0.36 O ATOM 142 CB VAL A 159 0.428 -1.080 2.484 1.00 0.28 C ATOM 143 CG1 VAL A 159 -0.921 -0.549 2.057 1.00 0.42 C ATOM 144 CG2 VAL A 159 1.446 -0.892 1.376 1.00 0.35 C ATOM 0 H VAL A 159 2.536 -1.657 3.988 1.00 0.20 H new ATOM 0 HA VAL A 159 0.821 0.692 3.669 1.00 0.21 H new ATOM 0 HB VAL A 159 0.344 -2.149 2.680 1.00 0.28 H new ATOM 0 HG11 VAL A 159 -1.233 -1.045 1.138 1.00 0.42 H new ATOM 0 HG12 VAL A 159 -1.653 -0.744 2.841 1.00 0.42 H new ATOM 0 HG13 VAL A 159 -0.851 0.525 1.884 1.00 0.42 H new ATOM 0 HG21 VAL A 159 1.097 -1.392 0.473 1.00 0.35 H new ATOM 0 HG22 VAL A 159 1.573 0.172 1.175 1.00 0.35 H new ATOM 0 HG23 VAL A 159 2.400 -1.320 1.682 1.00 0.35 H new ATOM 154 N PHE A 160 -0.883 0.014 5.357 1.00 0.22 N ATOM 155 CA PHE A 160 -1.909 -0.352 6.310 1.00 0.22 C ATOM 156 C PHE A 160 -3.037 -1.117 5.605 1.00 0.24 C ATOM 157 O PHE A 160 -3.839 -0.517 4.897 1.00 0.28 O ATOM 158 CB PHE A 160 -2.466 0.912 6.970 1.00 0.25 C ATOM 159 CG PHE A 160 -1.540 1.544 7.976 1.00 0.30 C ATOM 160 CD1 PHE A 160 -0.367 2.173 7.575 1.00 0.38 C ATOM 161 CD2 PHE A 160 -1.853 1.522 9.323 1.00 0.48 C ATOM 162 CE1 PHE A 160 0.469 2.763 8.503 1.00 0.46 C ATOM 163 CE2 PHE A 160 -1.018 2.108 10.255 1.00 0.58 C ATOM 164 CZ PHE A 160 0.143 2.731 9.844 1.00 0.51 C ATOM 0 H PHE A 160 -0.875 1.002 5.104 1.00 0.22 H new ATOM 0 HA PHE A 160 -1.475 -0.997 7.074 1.00 0.22 H new ATOM 0 HB2 PHE A 160 -2.694 1.643 6.194 1.00 0.25 H new ATOM 0 HB3 PHE A 160 -3.407 0.666 7.463 1.00 0.25 H new ATOM 0 HD1 PHE A 160 -0.107 2.201 6.527 1.00 0.38 H new ATOM 0 HD2 PHE A 160 -2.762 1.040 9.651 1.00 0.48 H new ATOM 0 HE1 PHE A 160 1.377 3.249 8.179 1.00 0.46 H new ATOM 0 HE2 PHE A 160 -1.274 2.079 11.304 1.00 0.58 H new ATOM 0 HZ PHE A 160 0.795 3.193 10.570 1.00 0.51 H new ATOM 174 N LEU A 161 -3.062 -2.444 5.770 1.00 0.27 N ATOM 175 CA LEU A 161 -4.155 -3.281 5.244 1.00 0.33 C ATOM 176 C LEU A 161 -5.521 -2.811 5.733 1.00 0.33 C ATOM 177 O LEU A 161 -5.632 -2.074 6.719 1.00 0.37 O ATOM 178 CB LEU A 161 -4.049 -4.759 5.680 1.00 0.49 C ATOM 179 CG LEU A 161 -2.833 -5.568 5.223 1.00 0.72 C ATOM 180 CD1 LEU A 161 -2.371 -5.108 3.876 1.00 1.46 C ATOM 181 CD2 LEU A 161 -1.700 -5.482 6.225 1.00 0.98 C ATOM 0 H LEU A 161 -2.338 -2.966 6.264 1.00 0.27 H new ATOM 0 HA LEU A 161 -4.059 -3.190 4.162 1.00 0.33 H new ATOM 0 HB2 LEU A 161 -4.075 -4.786 6.769 1.00 0.49 H new ATOM 0 HB3 LEU A 161 -4.942 -5.274 5.327 1.00 0.49 H new ATOM 0 HG LEU A 161 -3.139 -6.612 5.153 1.00 0.72 H new ATOM 0 HD11 LEU A 161 -1.506 -5.695 3.568 1.00 1.46 H new ATOM 0 HD12 LEU A 161 -3.175 -5.239 3.151 1.00 1.46 H new ATOM 0 HD13 LEU A 161 -2.096 -4.055 3.926 1.00 1.46 H new ATOM 0 HD21 LEU A 161 -0.853 -6.068 5.868 1.00 0.98 H new ATOM 0 HD22 LEU A 161 -1.397 -4.442 6.343 1.00 0.98 H new ATOM 0 HD23 LEU A 161 -2.033 -5.874 7.186 1.00 0.98 H new ATOM 193 N PRO A 162 -6.582 -3.271 5.053 1.00 0.38 N ATOM 194 CA PRO A 162 -7.946 -3.210 5.572 1.00 0.43 C ATOM 195 C PRO A 162 -8.024 -3.797 6.978 1.00 0.42 C ATOM 196 O PRO A 162 -7.135 -4.546 7.393 1.00 0.40 O ATOM 197 CB PRO A 162 -8.737 -4.082 4.600 1.00 0.49 C ATOM 198 CG PRO A 162 -7.976 -4.013 3.323 1.00 0.50 C ATOM 199 CD PRO A 162 -6.529 -3.856 3.703 1.00 0.46 C ATOM 0 HA PRO A 162 -8.319 -2.188 5.644 1.00 0.43 H new ATOM 0 HB2 PRO A 162 -8.813 -5.108 4.961 1.00 0.49 H new ATOM 0 HB3 PRO A 162 -9.755 -3.712 4.475 1.00 0.49 H new ATOM 0 HG2 PRO A 162 -8.127 -4.916 2.731 1.00 0.50 H new ATOM 0 HG3 PRO A 162 -8.312 -3.173 2.715 1.00 0.50 H new ATOM 0 HD2 PRO A 162 -6.009 -4.814 3.702 1.00 0.46 H new ATOM 0 HD3 PRO A 162 -6.001 -3.206 3.006 1.00 0.46 H new ATOM 207 N ASN A 163 -9.080 -3.451 7.710 1.00 0.51 N ATOM 208 CA ASN A 163 -9.237 -3.866 9.110 1.00 0.54 C ATOM 209 C ASN A 163 -8.189 -3.181 9.984 1.00 0.48 C ATOM 210 O ASN A 163 -8.052 -3.486 11.168 1.00 0.53 O ATOM 211 CB ASN A 163 -9.134 -5.389 9.271 1.00 0.60 C ATOM 212 CG ASN A 163 -10.206 -6.141 8.510 1.00 1.26 C ATOM 213 OD1 ASN A 163 -11.323 -5.654 8.327 1.00 2.08 O ATOM 214 ND2 ASN A 163 -9.870 -7.335 8.056 1.00 1.86 N ATOM 0 H ASN A 163 -9.848 -2.880 7.357 1.00 0.51 H new ATOM 0 HA ASN A 163 -10.234 -3.563 9.430 1.00 0.54 H new ATOM 0 HB2 ASN A 163 -8.154 -5.719 8.927 1.00 0.60 H new ATOM 0 HB3 ASN A 163 -9.203 -5.642 10.329 1.00 0.60 H new ATOM 0 HD21 ASN A 163 -10.546 -7.890 7.532 1.00 1.86 H new ATOM 0 HD22 ASN A 163 -8.934 -7.702 8.229 1.00 1.86 H new ATOM 221 N LYS A 164 -7.454 -2.257 9.367 1.00 0.48 N ATOM 222 CA LYS A 164 -6.451 -1.434 10.039 1.00 0.52 C ATOM 223 C LYS A 164 -5.224 -2.253 10.452 1.00 0.44 C ATOM 224 O LYS A 164 -4.676 -2.059 11.540 1.00 0.52 O ATOM 225 CB LYS A 164 -7.043 -0.711 11.256 1.00 0.69 C ATOM 226 CG LYS A 164 -8.391 -0.054 10.990 1.00 0.88 C ATOM 227 CD LYS A 164 -8.271 1.326 10.357 1.00 1.22 C ATOM 228 CE LYS A 164 -7.803 1.257 8.914 1.00 2.04 C ATOM 229 NZ LYS A 164 -7.928 2.567 8.227 1.00 2.74 N ATOM 0 H LYS A 164 -7.540 -2.056 8.371 1.00 0.48 H new ATOM 0 HA LYS A 164 -6.126 -0.684 9.318 1.00 0.52 H new ATOM 0 HB2 LYS A 164 -7.153 -1.425 12.072 1.00 0.69 H new ATOM 0 HB3 LYS A 164 -6.339 0.050 11.591 1.00 0.69 H new ATOM 0 HG2 LYS A 164 -8.979 -0.697 10.335 1.00 0.88 H new ATOM 0 HG3 LYS A 164 -8.938 0.030 11.929 1.00 0.88 H new ATOM 0 HD2 LYS A 164 -9.237 1.829 10.400 1.00 1.22 H new ATOM 0 HD3 LYS A 164 -7.572 1.930 10.935 1.00 1.22 H new ATOM 0 HE2 LYS A 164 -6.764 0.930 8.885 1.00 2.04 H new ATOM 0 HE3 LYS A 164 -8.388 0.509 8.378 1.00 2.04 H new ATOM 0 HZ1 LYS A 164 -7.309 2.581 7.391 1.00 2.74 H new ATOM 0 HZ2 LYS A 164 -8.914 2.711 7.930 1.00 2.74 H new ATOM 0 HZ3 LYS A 164 -7.648 3.328 8.878 1.00 2.74 H new ATOM 243 N GLN A 165 -4.804 -3.179 9.594 1.00 0.36 N ATOM 244 CA GLN A 165 -3.549 -3.898 9.804 1.00 0.37 C ATOM 245 C GLN A 165 -2.438 -3.141 9.108 1.00 0.33 C ATOM 246 O GLN A 165 -2.684 -2.102 8.508 1.00 0.38 O ATOM 247 CB GLN A 165 -3.619 -5.301 9.209 1.00 0.42 C ATOM 248 CG GLN A 165 -4.995 -5.927 9.246 1.00 0.50 C ATOM 249 CD GLN A 165 -5.412 -6.350 10.642 1.00 0.66 C ATOM 250 OE1 GLN A 165 -5.154 -7.478 11.061 1.00 1.33 O ATOM 251 NE2 GLN A 165 -6.060 -5.462 11.370 1.00 1.33 N ATOM 0 H GLN A 165 -5.311 -3.449 8.751 1.00 0.36 H new ATOM 0 HA GLN A 165 -3.365 -3.976 10.876 1.00 0.37 H new ATOM 0 HB2 GLN A 165 -3.279 -5.261 8.174 1.00 0.42 H new ATOM 0 HB3 GLN A 165 -2.925 -5.946 9.748 1.00 0.42 H new ATOM 0 HG2 GLN A 165 -5.723 -5.217 8.854 1.00 0.50 H new ATOM 0 HG3 GLN A 165 -5.012 -6.796 8.588 1.00 0.50 H new ATOM 0 HE21 GLN A 165 -6.256 -4.536 10.990 1.00 1.33 H new ATOM 0 HE22 GLN A 165 -6.365 -5.701 12.314 1.00 1.33 H new ATOM 260 N ARG A 166 -1.223 -3.652 9.167 1.00 0.34 N ATOM 261 CA ARG A 166 -0.145 -3.036 8.433 1.00 0.32 C ATOM 262 C ARG A 166 0.869 -4.067 7.959 1.00 0.41 C ATOM 263 O ARG A 166 1.283 -4.949 8.707 1.00 0.79 O ATOM 264 CB ARG A 166 0.529 -1.953 9.262 1.00 0.40 C ATOM 265 CG ARG A 166 1.341 -1.009 8.436 1.00 0.95 C ATOM 266 CD ARG A 166 2.164 -0.093 9.310 1.00 0.96 C ATOM 267 NE ARG A 166 3.018 -0.824 10.245 1.00 1.54 N ATOM 268 CZ ARG A 166 3.967 -0.252 10.987 1.00 1.82 C ATOM 269 NH1 ARG A 166 4.197 1.053 10.893 1.00 1.62 N ATOM 270 NH2 ARG A 166 4.689 -0.990 11.823 1.00 2.49 N ATOM 0 H ARG A 166 -0.964 -4.478 9.707 1.00 0.34 H new ATOM 0 HA ARG A 166 -0.576 -2.568 7.548 1.00 0.32 H new ATOM 0 HB2 ARG A 166 -0.232 -1.391 9.804 1.00 0.40 H new ATOM 0 HB3 ARG A 166 1.172 -2.421 10.008 1.00 0.40 H new ATOM 0 HG2 ARG A 166 1.998 -1.573 7.774 1.00 0.95 H new ATOM 0 HG3 ARG A 166 0.682 -0.416 7.802 1.00 0.95 H new ATOM 0 HD2 ARG A 166 2.784 0.544 8.679 1.00 0.96 H new ATOM 0 HD3 ARG A 166 1.498 0.564 9.870 1.00 0.96 H new ATOM 0 HE ARG A 166 2.880 -1.831 10.335 1.00 1.54 H new ATOM 0 HH11 ARG A 166 3.646 1.623 10.251 1.00 1.62 H new ATOM 0 HH12 ARG A 166 4.924 1.485 11.463 1.00 1.62 H new ATOM 0 HH21 ARG A 166 4.517 -1.993 11.897 1.00 2.49 H new ATOM 0 HH22 ARG A 166 5.415 -0.554 12.391 1.00 2.49 H new ATOM 284 N THR A 167 1.222 -3.944 6.697 1.00 0.25 N ATOM 285 CA THR A 167 2.219 -4.776 6.057 1.00 0.27 C ATOM 286 C THR A 167 3.335 -3.888 5.538 1.00 0.25 C ATOM 287 O THR A 167 3.307 -2.676 5.744 1.00 0.31 O ATOM 288 CB THR A 167 1.614 -5.553 4.863 1.00 0.35 C ATOM 289 OG1 THR A 167 2.560 -6.474 4.310 1.00 0.50 O ATOM 290 CG2 THR A 167 1.165 -4.602 3.785 1.00 0.52 C ATOM 0 H THR A 167 0.815 -3.247 6.073 1.00 0.25 H new ATOM 0 HA THR A 167 2.594 -5.492 6.788 1.00 0.27 H new ATOM 0 HB THR A 167 0.756 -6.111 5.239 1.00 0.35 H new ATOM 0 HG1 THR A 167 2.150 -6.952 3.559 1.00 0.50 H new ATOM 0 HG21 THR A 167 0.743 -5.167 2.954 1.00 0.52 H new ATOM 0 HG22 THR A 167 0.409 -3.927 4.187 1.00 0.52 H new ATOM 0 HG23 THR A 167 2.018 -4.022 3.433 1.00 0.52 H new ATOM 298 N VAL A 168 4.314 -4.486 4.880 1.00 0.25 N ATOM 299 CA VAL A 168 5.330 -3.736 4.173 1.00 0.27 C ATOM 300 C VAL A 168 5.978 -4.581 3.084 1.00 0.25 C ATOM 301 O VAL A 168 6.392 -5.721 3.317 1.00 0.30 O ATOM 302 CB VAL A 168 6.391 -3.117 5.095 1.00 0.39 C ATOM 303 CG1 VAL A 168 6.317 -3.672 6.483 1.00 0.73 C ATOM 304 CG2 VAL A 168 7.759 -3.231 4.495 1.00 0.88 C ATOM 0 H VAL A 168 4.424 -5.498 4.823 1.00 0.25 H new ATOM 0 HA VAL A 168 4.812 -2.898 3.706 1.00 0.27 H new ATOM 0 HB VAL A 168 6.175 -2.053 5.187 1.00 0.39 H new ATOM 0 HG11 VAL A 168 7.084 -3.207 7.102 1.00 0.73 H new ATOM 0 HG12 VAL A 168 5.334 -3.464 6.906 1.00 0.73 H new ATOM 0 HG13 VAL A 168 6.478 -4.750 6.453 1.00 0.73 H new ATOM 0 HG21 VAL A 168 8.490 -2.785 5.169 1.00 0.88 H new ATOM 0 HG22 VAL A 168 8.002 -4.282 4.340 1.00 0.88 H new ATOM 0 HG23 VAL A 168 7.781 -2.709 3.538 1.00 0.88 H new ATOM 314 N VAL A 169 6.021 -4.015 1.890 1.00 0.26 N ATOM 315 CA VAL A 169 6.742 -4.596 0.772 1.00 0.26 C ATOM 316 C VAL A 169 7.934 -3.715 0.421 1.00 0.28 C ATOM 317 O VAL A 169 7.803 -2.493 0.346 1.00 0.29 O ATOM 318 CB VAL A 169 5.854 -4.769 -0.475 1.00 0.32 C ATOM 319 CG1 VAL A 169 4.917 -5.941 -0.290 1.00 1.17 C ATOM 320 CG2 VAL A 169 5.069 -3.503 -0.790 1.00 1.31 C ATOM 0 H VAL A 169 5.554 -3.135 1.669 1.00 0.26 H new ATOM 0 HA VAL A 169 7.074 -5.587 1.081 1.00 0.26 H new ATOM 0 HB VAL A 169 6.509 -4.966 -1.324 1.00 0.32 H new ATOM 0 HG11 VAL A 169 4.295 -6.053 -1.178 1.00 1.17 H new ATOM 0 HG12 VAL A 169 5.498 -6.851 -0.137 1.00 1.17 H new ATOM 0 HG13 VAL A 169 4.282 -5.766 0.578 1.00 1.17 H new ATOM 0 HG21 VAL A 169 4.455 -3.666 -1.676 1.00 1.31 H new ATOM 0 HG22 VAL A 169 4.427 -3.253 0.055 1.00 1.31 H new ATOM 0 HG23 VAL A 169 5.762 -2.682 -0.975 1.00 1.31 H new ATOM 330 N PRO A 170 9.122 -4.316 0.259 1.00 0.31 N ATOM 331 CA PRO A 170 10.302 -3.604 -0.220 1.00 0.32 C ATOM 332 C PRO A 170 10.000 -2.778 -1.463 1.00 0.28 C ATOM 333 O PRO A 170 9.224 -3.198 -2.323 1.00 0.33 O ATOM 334 CB PRO A 170 11.276 -4.728 -0.568 1.00 0.40 C ATOM 335 CG PRO A 170 10.893 -5.866 0.316 1.00 0.59 C ATOM 336 CD PRO A 170 9.425 -5.711 0.618 1.00 0.39 C ATOM 0 HA PRO A 170 10.684 -2.900 0.520 1.00 0.32 H new ATOM 0 HB2 PRO A 170 11.199 -5.004 -1.620 1.00 0.40 H new ATOM 0 HB3 PRO A 170 12.308 -4.423 -0.393 1.00 0.40 H new ATOM 0 HG2 PRO A 170 11.088 -6.819 -0.176 1.00 0.59 H new ATOM 0 HG3 PRO A 170 11.479 -5.856 1.235 1.00 0.59 H new ATOM 0 HD2 PRO A 170 8.824 -6.410 0.037 1.00 0.39 H new ATOM 0 HD3 PRO A 170 9.213 -5.906 1.669 1.00 0.39 H new ATOM 344 N ALA A 171 10.605 -1.596 -1.534 1.00 0.24 N ATOM 345 CA ALA A 171 10.395 -0.682 -2.648 1.00 0.21 C ATOM 346 C ALA A 171 10.944 -1.277 -3.933 1.00 0.24 C ATOM 347 O ALA A 171 12.084 -1.013 -4.325 1.00 0.35 O ATOM 348 CB ALA A 171 11.051 0.660 -2.376 1.00 0.21 C ATOM 0 H ALA A 171 11.250 -1.248 -0.825 1.00 0.24 H new ATOM 0 HA ALA A 171 9.322 -0.527 -2.760 1.00 0.21 H new ATOM 0 HB1 ALA A 171 10.881 1.326 -3.222 1.00 0.21 H new ATOM 0 HB2 ALA A 171 10.621 1.099 -1.476 1.00 0.21 H new ATOM 0 HB3 ALA A 171 12.123 0.519 -2.235 1.00 0.21 H new ATOM 354 N ARG A 172 10.136 -2.103 -4.561 1.00 0.26 N ATOM 355 CA ARG A 172 10.505 -2.748 -5.798 1.00 0.29 C ATOM 356 C ARG A 172 10.495 -1.737 -6.937 1.00 0.27 C ATOM 357 O ARG A 172 9.452 -1.193 -7.292 1.00 0.27 O ATOM 358 CB ARG A 172 9.547 -3.908 -6.067 1.00 0.33 C ATOM 359 CG ARG A 172 9.685 -5.053 -5.073 1.00 0.46 C ATOM 360 CD ARG A 172 11.098 -5.609 -5.054 1.00 0.56 C ATOM 361 NE ARG A 172 11.269 -6.670 -4.061 1.00 1.33 N ATOM 362 CZ ARG A 172 12.438 -6.971 -3.494 1.00 1.81 C ATOM 363 NH1 ARG A 172 13.527 -6.279 -3.803 1.00 1.58 N ATOM 364 NH2 ARG A 172 12.516 -7.958 -2.612 1.00 2.81 N ATOM 0 H ARG A 172 9.204 -2.345 -4.226 1.00 0.26 H new ATOM 0 HA ARG A 172 11.516 -3.148 -5.722 1.00 0.29 H new ATOM 0 HB2 ARG A 172 8.523 -3.536 -6.041 1.00 0.33 H new ATOM 0 HB3 ARG A 172 9.723 -4.288 -7.073 1.00 0.33 H new ATOM 0 HG2 ARG A 172 9.417 -4.704 -4.076 1.00 0.46 H new ATOM 0 HG3 ARG A 172 8.984 -5.847 -5.332 1.00 0.46 H new ATOM 0 HD2 ARG A 172 11.346 -5.997 -6.042 1.00 0.56 H new ATOM 0 HD3 ARG A 172 11.800 -4.802 -4.843 1.00 0.56 H new ATOM 0 HE ARG A 172 10.448 -7.210 -3.787 1.00 1.33 H new ATOM 0 HH11 ARG A 172 13.472 -5.514 -4.476 1.00 1.58 H new ATOM 0 HH12 ARG A 172 14.420 -6.512 -3.368 1.00 1.58 H new ATOM 0 HH21 ARG A 172 11.681 -8.489 -2.366 1.00 2.81 H new ATOM 0 HH22 ARG A 172 13.411 -8.186 -2.180 1.00 2.81 H new ATOM 378 N CYS A 173 11.666 -1.465 -7.483 1.00 0.30 N ATOM 379 CA CYS A 173 11.807 -0.451 -8.514 1.00 0.32 C ATOM 380 C CYS A 173 11.449 -1.017 -9.879 1.00 0.31 C ATOM 381 O CYS A 173 12.002 -2.032 -10.312 1.00 0.41 O ATOM 382 CB CYS A 173 13.229 0.106 -8.512 1.00 0.40 C ATOM 383 SG CYS A 173 13.553 1.342 -9.792 1.00 1.44 S ATOM 0 H CYS A 173 12.536 -1.933 -7.229 1.00 0.30 H new ATOM 0 HA CYS A 173 11.116 0.364 -8.298 1.00 0.32 H new ATOM 0 HB2 CYS A 173 13.430 0.550 -7.537 1.00 0.40 H new ATOM 0 HB3 CYS A 173 13.929 -0.720 -8.637 1.00 0.40 H new ATOM 0 HG CYS A 173 14.784 1.749 -9.700 1.00 1.44 H new ATOM 389 N GLY A 174 10.511 -0.362 -10.547 1.00 0.30 N ATOM 390 CA GLY A 174 10.086 -0.810 -11.854 1.00 0.33 C ATOM 391 C GLY A 174 8.849 -1.676 -11.779 1.00 0.30 C ATOM 392 O GLY A 174 8.583 -2.476 -12.678 1.00 0.43 O ATOM 0 H GLY A 174 10.036 0.474 -10.205 1.00 0.30 H new ATOM 0 HA2 GLY A 174 9.886 0.055 -12.487 1.00 0.33 H new ATOM 0 HA3 GLY A 174 10.893 -1.370 -12.326 1.00 0.33 H new ATOM 396 N VAL A 175 8.103 -1.533 -10.697 1.00 0.25 N ATOM 397 CA VAL A 175 6.864 -2.268 -10.529 1.00 0.28 C ATOM 398 C VAL A 175 5.780 -1.336 -10.013 1.00 0.26 C ATOM 399 O VAL A 175 6.069 -0.338 -9.344 1.00 0.35 O ATOM 400 CB VAL A 175 7.033 -3.473 -9.573 1.00 0.35 C ATOM 401 CG1 VAL A 175 7.156 -3.015 -8.141 1.00 0.69 C ATOM 402 CG2 VAL A 175 5.878 -4.447 -9.694 1.00 0.97 C ATOM 0 H VAL A 175 8.335 -0.913 -9.921 1.00 0.25 H new ATOM 0 HA VAL A 175 6.574 -2.663 -11.503 1.00 0.28 H new ATOM 0 HB VAL A 175 7.950 -3.984 -9.865 1.00 0.35 H new ATOM 0 HG11 VAL A 175 7.274 -3.882 -7.491 1.00 0.69 H new ATOM 0 HG12 VAL A 175 8.025 -2.365 -8.040 1.00 0.69 H new ATOM 0 HG13 VAL A 175 6.258 -2.467 -7.856 1.00 0.69 H new ATOM 0 HG21 VAL A 175 6.031 -5.280 -9.008 1.00 0.97 H new ATOM 0 HG22 VAL A 175 4.946 -3.939 -9.446 1.00 0.97 H new ATOM 0 HG23 VAL A 175 5.825 -4.823 -10.716 1.00 0.97 H new ATOM 412 N THR A 176 4.544 -1.637 -10.355 1.00 0.22 N ATOM 413 CA THR A 176 3.431 -0.828 -9.924 1.00 0.25 C ATOM 414 C THR A 176 3.022 -1.186 -8.506 1.00 0.23 C ATOM 415 O THR A 176 3.293 -2.305 -8.037 1.00 0.25 O ATOM 416 CB THR A 176 2.222 -1.002 -10.863 1.00 0.31 C ATOM 417 OG1 THR A 176 1.860 -2.385 -10.943 1.00 0.47 O ATOM 418 CG2 THR A 176 2.541 -0.481 -12.254 1.00 0.40 C ATOM 0 H THR A 176 4.288 -2.439 -10.932 1.00 0.22 H new ATOM 0 HA THR A 176 3.754 0.213 -9.953 1.00 0.25 H new ATOM 0 HB THR A 176 1.389 -0.429 -10.456 1.00 0.31 H new ATOM 0 HG1 THR A 176 1.090 -2.488 -11.540 1.00 0.47 H new ATOM 0 HG21 THR A 176 1.673 -0.614 -12.900 1.00 0.40 H new ATOM 0 HG22 THR A 176 2.792 0.578 -12.197 1.00 0.40 H new ATOM 0 HG23 THR A 176 3.387 -1.033 -12.664 1.00 0.40 H new ATOM 426 N VAL A 177 2.394 -0.238 -7.820 1.00 0.25 N ATOM 427 CA VAL A 177 1.819 -0.496 -6.513 1.00 0.27 C ATOM 428 C VAL A 177 1.031 -1.792 -6.562 1.00 0.24 C ATOM 429 O VAL A 177 1.217 -2.662 -5.722 1.00 0.28 O ATOM 430 CB VAL A 177 0.878 0.650 -6.080 1.00 0.34 C ATOM 431 CG1 VAL A 177 0.318 0.406 -4.689 1.00 1.20 C ATOM 432 CG2 VAL A 177 1.592 1.986 -6.133 1.00 1.39 C ATOM 0 H VAL A 177 2.272 0.719 -8.152 1.00 0.25 H new ATOM 0 HA VAL A 177 2.631 -0.569 -5.789 1.00 0.27 H new ATOM 0 HB VAL A 177 0.045 0.675 -6.783 1.00 0.34 H new ATOM 0 HG11 VAL A 177 -0.340 1.229 -4.412 1.00 1.20 H new ATOM 0 HG12 VAL A 177 -0.245 -0.527 -4.682 1.00 1.20 H new ATOM 0 HG13 VAL A 177 1.137 0.340 -3.973 1.00 1.20 H new ATOM 0 HG21 VAL A 177 0.908 2.776 -5.824 1.00 1.39 H new ATOM 0 HG22 VAL A 177 2.451 1.966 -5.462 1.00 1.39 H new ATOM 0 HG23 VAL A 177 1.931 2.177 -7.151 1.00 1.39 H new ATOM 442 N ARG A 178 0.218 -1.921 -7.610 1.00 0.23 N ATOM 443 CA ARG A 178 -0.667 -3.059 -7.814 1.00 0.26 C ATOM 444 C ARG A 178 -0.015 -4.394 -7.470 1.00 0.23 C ATOM 445 O ARG A 178 -0.537 -5.142 -6.661 1.00 0.33 O ATOM 446 CB ARG A 178 -1.137 -3.062 -9.271 1.00 0.39 C ATOM 447 CG ARG A 178 -2.059 -4.211 -9.628 1.00 0.85 C ATOM 448 CD ARG A 178 -3.257 -4.251 -8.705 1.00 1.65 C ATOM 449 NE ARG A 178 -4.188 -5.330 -9.034 1.00 2.02 N ATOM 450 CZ ARG A 178 -5.515 -5.204 -9.007 1.00 2.82 C ATOM 451 NH1 ARG A 178 -6.071 -4.029 -8.734 1.00 3.53 N ATOM 452 NH2 ARG A 178 -6.284 -6.252 -9.271 1.00 3.28 N ATOM 0 H ARG A 178 0.158 -1.224 -8.352 1.00 0.23 H new ATOM 0 HA ARG A 178 -1.512 -2.948 -7.134 1.00 0.26 H new ATOM 0 HB2 ARG A 178 -1.650 -2.123 -9.477 1.00 0.39 H new ATOM 0 HB3 ARG A 178 -0.263 -3.097 -9.922 1.00 0.39 H new ATOM 0 HG2 ARG A 178 -2.394 -4.106 -10.660 1.00 0.85 H new ATOM 0 HG3 ARG A 178 -1.514 -5.153 -9.564 1.00 0.85 H new ATOM 0 HD2 ARG A 178 -2.915 -4.373 -7.677 1.00 1.65 H new ATOM 0 HD3 ARG A 178 -3.781 -3.297 -8.755 1.00 1.65 H new ATOM 0 HE ARG A 178 -3.798 -6.234 -9.300 1.00 2.02 H new ATOM 0 HH11 ARG A 178 -5.482 -3.218 -8.544 1.00 3.53 H new ATOM 0 HH12 ARG A 178 -7.087 -3.938 -8.715 1.00 3.53 H new ATOM 0 HH21 ARG A 178 -5.860 -7.152 -9.494 1.00 3.28 H new ATOM 0 HH22 ARG A 178 -7.299 -6.157 -9.251 1.00 3.28 H new ATOM 466 N ASP A 179 1.119 -4.670 -8.076 1.00 0.20 N ATOM 467 CA ASP A 179 1.810 -5.946 -7.888 1.00 0.19 C ATOM 468 C ASP A 179 2.359 -6.058 -6.478 1.00 0.17 C ATOM 469 O ASP A 179 2.134 -7.049 -5.774 1.00 0.18 O ATOM 470 CB ASP A 179 2.961 -6.076 -8.887 1.00 0.23 C ATOM 471 CG ASP A 179 3.604 -7.452 -8.884 1.00 0.32 C ATOM 472 OD1 ASP A 179 3.281 -8.263 -9.780 1.00 1.12 O ATOM 473 OD2 ASP A 179 4.446 -7.727 -7.999 1.00 1.19 O ATOM 0 H ASP A 179 1.593 -4.027 -8.711 1.00 0.20 H new ATOM 0 HA ASP A 179 1.089 -6.747 -8.054 1.00 0.19 H new ATOM 0 HB2 ASP A 179 2.591 -5.857 -9.889 1.00 0.23 H new ATOM 0 HB3 ASP A 179 3.719 -5.327 -8.657 1.00 0.23 H new ATOM 478 N SER A 180 3.044 -5.016 -6.056 1.00 0.17 N ATOM 479 CA SER A 180 3.732 -5.037 -4.788 1.00 0.18 C ATOM 480 C SER A 180 2.744 -5.158 -3.631 1.00 0.17 C ATOM 481 O SER A 180 2.899 -6.011 -2.747 1.00 0.19 O ATOM 482 CB SER A 180 4.621 -3.798 -4.681 1.00 0.22 C ATOM 483 OG SER A 180 5.878 -4.029 -5.294 1.00 1.34 O ATOM 0 H SER A 180 3.138 -4.143 -6.576 1.00 0.17 H new ATOM 0 HA SER A 180 4.372 -5.917 -4.728 1.00 0.18 H new ATOM 0 HB2 SER A 180 4.129 -2.949 -5.157 1.00 0.22 H new ATOM 0 HB3 SER A 180 4.765 -3.537 -3.633 1.00 0.22 H new ATOM 0 HG SER A 180 6.595 -3.767 -4.679 1.00 1.34 H new ATOM 489 N LEU A 181 1.689 -4.370 -3.646 1.00 0.17 N ATOM 490 CA LEU A 181 0.773 -4.422 -2.553 1.00 0.18 C ATOM 491 C LEU A 181 -0.390 -5.391 -2.806 1.00 0.18 C ATOM 492 O LEU A 181 -1.200 -5.612 -1.915 1.00 0.20 O ATOM 493 CB LEU A 181 0.338 -3.008 -2.139 1.00 0.24 C ATOM 494 CG LEU A 181 -0.908 -2.372 -2.767 1.00 0.35 C ATOM 495 CD1 LEU A 181 -1.199 -2.878 -4.161 1.00 1.08 C ATOM 496 CD2 LEU A 181 -2.098 -2.558 -1.850 1.00 0.96 C ATOM 0 H LEU A 181 1.458 -3.707 -4.386 1.00 0.17 H new ATOM 0 HA LEU A 181 1.292 -4.845 -1.693 1.00 0.18 H new ATOM 0 HB2 LEU A 181 0.187 -3.019 -1.060 1.00 0.24 H new ATOM 0 HB3 LEU A 181 1.177 -2.340 -2.337 1.00 0.24 H new ATOM 0 HG LEU A 181 -0.705 -1.307 -2.880 1.00 0.35 H new ATOM 0 HD11 LEU A 181 -2.093 -2.388 -4.547 1.00 1.08 H new ATOM 0 HD12 LEU A 181 -0.354 -2.656 -4.812 1.00 1.08 H new ATOM 0 HD13 LEU A 181 -1.361 -3.956 -4.131 1.00 1.08 H new ATOM 0 HD21 LEU A 181 -2.980 -2.104 -2.302 1.00 0.96 H new ATOM 0 HD22 LEU A 181 -2.276 -3.622 -1.696 1.00 0.96 H new ATOM 0 HD23 LEU A 181 -1.896 -2.082 -0.891 1.00 0.96 H new ATOM 508 N LYS A 182 -0.490 -5.997 -4.002 1.00 0.18 N ATOM 509 CA LYS A 182 -1.444 -7.096 -4.140 1.00 0.22 C ATOM 510 C LYS A 182 -0.948 -8.245 -3.290 1.00 0.22 C ATOM 511 O LYS A 182 -1.734 -8.977 -2.693 1.00 0.25 O ATOM 512 CB LYS A 182 -1.662 -7.567 -5.585 1.00 0.32 C ATOM 513 CG LYS A 182 -0.472 -8.280 -6.191 1.00 0.75 C ATOM 514 CD LYS A 182 -0.810 -8.926 -7.527 1.00 0.76 C ATOM 515 CE LYS A 182 -1.333 -7.918 -8.539 1.00 0.80 C ATOM 516 NZ LYS A 182 -1.624 -8.554 -9.848 1.00 1.15 N ATOM 0 H LYS A 182 0.045 -5.760 -4.837 1.00 0.18 H new ATOM 0 HA LYS A 182 -2.417 -6.731 -3.810 1.00 0.22 H new ATOM 0 HB2 LYS A 182 -2.524 -8.234 -5.612 1.00 0.32 H new ATOM 0 HB3 LYS A 182 -1.908 -6.704 -6.204 1.00 0.32 H new ATOM 0 HG2 LYS A 182 0.344 -7.570 -6.328 1.00 0.75 H new ATOM 0 HG3 LYS A 182 -0.117 -9.044 -5.499 1.00 0.75 H new ATOM 0 HD2 LYS A 182 0.079 -9.413 -7.928 1.00 0.76 H new ATOM 0 HD3 LYS A 182 -1.557 -9.704 -7.373 1.00 0.76 H new ATOM 0 HE2 LYS A 182 -2.239 -7.451 -8.152 1.00 0.80 H new ATOM 0 HE3 LYS A 182 -0.598 -7.125 -8.675 1.00 0.80 H new ATOM 0 HZ1 LYS A 182 -1.978 -7.836 -10.512 1.00 1.15 H new ATOM 0 HZ2 LYS A 182 -0.754 -8.978 -10.229 1.00 1.15 H new ATOM 0 HZ3 LYS A 182 -2.344 -9.294 -9.722 1.00 1.15 H new ATOM 530 N LYS A 183 0.376 -8.379 -3.220 1.00 0.22 N ATOM 531 CA LYS A 183 0.978 -9.320 -2.301 1.00 0.25 C ATOM 532 C LYS A 183 0.737 -8.857 -0.869 1.00 0.23 C ATOM 533 O LYS A 183 0.515 -9.674 0.018 1.00 0.26 O ATOM 534 CB LYS A 183 2.473 -9.494 -2.581 1.00 0.33 C ATOM 535 CG LYS A 183 3.113 -10.570 -1.720 1.00 0.40 C ATOM 536 CD LYS A 183 3.982 -9.976 -0.627 1.00 1.18 C ATOM 537 CE LYS A 183 5.429 -9.890 -1.072 1.00 1.31 C ATOM 538 NZ LYS A 183 6.312 -9.314 -0.025 1.00 1.80 N ATOM 0 H LYS A 183 1.039 -7.850 -3.786 1.00 0.22 H new ATOM 0 HA LYS A 183 0.511 -10.295 -2.442 1.00 0.25 H new ATOM 0 HB2 LYS A 183 2.614 -9.745 -3.632 1.00 0.33 H new ATOM 0 HB3 LYS A 183 2.983 -8.546 -2.408 1.00 0.33 H new ATOM 0 HG2 LYS A 183 2.334 -11.186 -1.270 1.00 0.40 H new ATOM 0 HG3 LYS A 183 3.716 -11.226 -2.347 1.00 0.40 H new ATOM 0 HD2 LYS A 183 3.618 -8.982 -0.367 1.00 1.18 H new ATOM 0 HD3 LYS A 183 3.910 -10.587 0.273 1.00 1.18 H new ATOM 0 HE2 LYS A 183 5.785 -10.886 -1.335 1.00 1.31 H new ATOM 0 HE3 LYS A 183 5.493 -9.280 -1.973 1.00 1.31 H new ATOM 0 HZ1 LYS A 183 6.960 -8.625 -0.458 1.00 1.80 H new ATOM 0 HZ2 LYS A 183 5.732 -8.839 0.695 1.00 1.80 H new ATOM 0 HZ3 LYS A 183 6.863 -10.075 0.421 1.00 1.80 H new ATOM 552 N ALA A 184 0.772 -7.539 -0.651 1.00 0.23 N ATOM 553 CA ALA A 184 0.395 -6.971 0.647 1.00 0.26 C ATOM 554 C ALA A 184 -0.979 -7.485 1.088 1.00 0.25 C ATOM 555 O ALA A 184 -1.129 -7.991 2.203 1.00 0.29 O ATOM 556 CB ALA A 184 0.387 -5.453 0.576 1.00 0.30 C ATOM 0 H ALA A 184 1.055 -6.851 -1.349 1.00 0.23 H new ATOM 0 HA ALA A 184 1.133 -7.287 1.384 1.00 0.26 H new ATOM 0 HB1 ALA A 184 0.105 -5.045 1.547 1.00 0.30 H new ATOM 0 HB2 ALA A 184 1.381 -5.096 0.307 1.00 0.30 H new ATOM 0 HB3 ALA A 184 -0.331 -5.128 -0.177 1.00 0.30 H new ATOM 562 N LEU A 185 -1.972 -7.356 0.207 1.00 0.23 N ATOM 563 CA LEU A 185 -3.315 -7.875 0.474 1.00 0.26 C ATOM 564 C LEU A 185 -3.281 -9.378 0.730 1.00 0.24 C ATOM 565 O LEU A 185 -3.801 -9.856 1.737 1.00 0.27 O ATOM 566 CB LEU A 185 -4.270 -7.595 -0.698 1.00 0.31 C ATOM 567 CG LEU A 185 -4.957 -6.221 -0.718 1.00 0.50 C ATOM 568 CD1 LEU A 185 -5.612 -5.914 0.613 1.00 1.46 C ATOM 569 CD2 LEU A 185 -3.987 -5.127 -1.093 1.00 1.11 C ATOM 0 H LEU A 185 -1.872 -6.896 -0.698 1.00 0.23 H new ATOM 0 HA LEU A 185 -3.679 -7.361 1.363 1.00 0.26 H new ATOM 0 HB2 LEU A 185 -3.711 -7.709 -1.627 1.00 0.31 H new ATOM 0 HB3 LEU A 185 -5.044 -8.362 -0.696 1.00 0.31 H new ATOM 0 HG LEU A 185 -5.736 -6.260 -1.480 1.00 0.50 H new ATOM 0 HD11 LEU A 185 -6.089 -4.935 0.566 1.00 1.46 H new ATOM 0 HD12 LEU A 185 -6.362 -6.673 0.833 1.00 1.46 H new ATOM 0 HD13 LEU A 185 -4.856 -5.912 1.399 1.00 1.46 H new ATOM 0 HD21 LEU A 185 -4.505 -4.168 -1.098 1.00 1.11 H new ATOM 0 HD22 LEU A 185 -3.174 -5.097 -0.367 1.00 1.11 H new ATOM 0 HD23 LEU A 185 -3.581 -5.325 -2.085 1.00 1.11 H new ATOM 581 N MET A 186 -2.643 -10.111 -0.175 1.00 0.22 N ATOM 582 CA MET A 186 -2.675 -11.572 -0.151 1.00 0.26 C ATOM 583 C MET A 186 -1.921 -12.153 1.040 1.00 0.29 C ATOM 584 O MET A 186 -2.157 -13.294 1.433 1.00 0.34 O ATOM 585 CB MET A 186 -2.134 -12.145 -1.457 1.00 0.30 C ATOM 586 CG MET A 186 -2.980 -11.774 -2.661 1.00 0.35 C ATOM 587 SD MET A 186 -2.554 -12.698 -4.147 1.00 0.98 S ATOM 588 CE MET A 186 -3.834 -12.112 -5.257 1.00 1.45 C ATOM 0 H MET A 186 -2.094 -9.717 -0.939 1.00 0.22 H new ATOM 0 HA MET A 186 -3.720 -11.863 -0.041 1.00 0.26 H new ATOM 0 HB2 MET A 186 -1.116 -11.787 -1.611 1.00 0.30 H new ATOM 0 HB3 MET A 186 -2.081 -13.231 -1.377 1.00 0.30 H new ATOM 0 HG2 MET A 186 -4.030 -11.945 -2.424 1.00 0.35 H new ATOM 0 HG3 MET A 186 -2.868 -10.708 -2.860 1.00 0.35 H new ATOM 0 HE1 MET A 186 -3.717 -12.588 -6.231 1.00 1.45 H new ATOM 0 HE2 MET A 186 -4.813 -12.360 -4.847 1.00 1.45 H new ATOM 0 HE3 MET A 186 -3.751 -11.031 -5.369 1.00 1.45 H new ATOM 598 N MET A 187 -1.020 -11.374 1.613 1.00 0.30 N ATOM 599 CA MET A 187 -0.281 -11.822 2.789 1.00 0.37 C ATOM 600 C MET A 187 -1.132 -11.632 4.032 1.00 0.40 C ATOM 601 O MET A 187 -0.888 -12.246 5.071 1.00 0.53 O ATOM 602 CB MET A 187 1.047 -11.079 2.941 1.00 0.44 C ATOM 603 CG MET A 187 2.099 -11.480 1.921 1.00 0.49 C ATOM 604 SD MET A 187 2.441 -13.252 1.925 1.00 0.72 S ATOM 605 CE MET A 187 3.828 -13.323 0.792 1.00 0.85 C ATOM 0 H MET A 187 -0.781 -10.436 1.290 1.00 0.30 H new ATOM 0 HA MET A 187 -0.052 -12.880 2.660 1.00 0.37 H new ATOM 0 HB2 MET A 187 0.864 -10.008 2.857 1.00 0.44 H new ATOM 0 HB3 MET A 187 1.439 -11.258 3.942 1.00 0.44 H new ATOM 0 HG2 MET A 187 1.766 -11.181 0.927 1.00 0.49 H new ATOM 0 HG3 MET A 187 3.022 -10.936 2.125 1.00 0.49 H new ATOM 0 HE1 MET A 187 4.181 -14.351 0.713 1.00 0.85 H new ATOM 0 HE2 MET A 187 3.514 -12.971 -0.191 1.00 0.85 H new ATOM 0 HE3 MET A 187 4.634 -12.690 1.163 1.00 0.85 H new ATOM 615 N ARG A 188 -2.128 -10.762 3.921 1.00 0.35 N ATOM 616 CA ARG A 188 -3.102 -10.589 4.981 1.00 0.41 C ATOM 617 C ARG A 188 -4.279 -11.533 4.739 1.00 0.41 C ATOM 618 O ARG A 188 -5.076 -11.816 5.634 1.00 0.50 O ATOM 619 CB ARG A 188 -3.586 -9.143 5.035 1.00 0.47 C ATOM 620 CG ARG A 188 -3.998 -8.740 6.433 1.00 0.79 C ATOM 621 CD ARG A 188 -2.781 -8.656 7.331 1.00 0.63 C ATOM 622 NE ARG A 188 -3.121 -8.643 8.749 1.00 1.20 N ATOM 623 CZ ARG A 188 -2.221 -8.590 9.729 1.00 1.43 C ATOM 624 NH1 ARG A 188 -0.926 -8.521 9.441 1.00 1.42 N ATOM 625 NH2 ARG A 188 -2.618 -8.597 10.994 1.00 2.12 N ATOM 0 H ARG A 188 -2.279 -10.167 3.106 1.00 0.35 H new ATOM 0 HA ARG A 188 -2.636 -10.825 5.938 1.00 0.41 H new ATOM 0 HB2 ARG A 188 -2.794 -8.481 4.685 1.00 0.47 H new ATOM 0 HB3 ARG A 188 -4.430 -9.017 4.357 1.00 0.47 H new ATOM 0 HG2 ARG A 188 -4.507 -7.777 6.407 1.00 0.79 H new ATOM 0 HG3 ARG A 188 -4.707 -9.464 6.835 1.00 0.79 H new ATOM 0 HD2 ARG A 188 -2.126 -9.504 7.127 1.00 0.63 H new ATOM 0 HD3 ARG A 188 -2.219 -7.754 7.089 1.00 0.63 H new ATOM 0 HE ARG A 188 -4.108 -8.677 9.006 1.00 1.20 H new ATOM 0 HH11 ARG A 188 -0.620 -8.509 8.468 1.00 1.42 H new ATOM 0 HH12 ARG A 188 -0.238 -8.480 10.193 1.00 1.42 H new ATOM 0 HH21 ARG A 188 -3.612 -8.643 11.216 1.00 2.12 H new ATOM 0 HH22 ARG A 188 -1.929 -8.556 11.745 1.00 2.12 H new ATOM 639 N GLY A 189 -4.358 -12.019 3.507 1.00 0.37 N ATOM 640 CA GLY A 189 -5.393 -12.960 3.116 1.00 0.42 C ATOM 641 C GLY A 189 -6.483 -12.321 2.277 1.00 0.43 C ATOM 642 O GLY A 189 -7.487 -12.958 1.956 1.00 0.53 O ATOM 0 H GLY A 189 -3.711 -11.773 2.758 1.00 0.37 H new ATOM 0 HA2 GLY A 189 -4.941 -13.777 2.554 1.00 0.42 H new ATOM 0 HA3 GLY A 189 -5.838 -13.396 4.011 1.00 0.42 H new ATOM 646 N LEU A 190 -6.284 -11.064 1.913 1.00 0.37 N ATOM 647 CA LEU A 190 -7.279 -10.317 1.163 1.00 0.40 C ATOM 648 C LEU A 190 -6.883 -10.163 -0.303 1.00 0.35 C ATOM 649 O LEU A 190 -5.799 -10.576 -0.716 1.00 0.37 O ATOM 650 CB LEU A 190 -7.472 -8.938 1.797 1.00 0.45 C ATOM 651 CG LEU A 190 -7.953 -8.963 3.245 1.00 0.61 C ATOM 652 CD1 LEU A 190 -6.793 -9.107 4.207 1.00 1.05 C ATOM 653 CD2 LEU A 190 -8.738 -7.715 3.571 1.00 1.28 C ATOM 0 H LEU A 190 -5.437 -10.538 2.127 1.00 0.37 H new ATOM 0 HA LEU A 190 -8.215 -10.875 1.197 1.00 0.40 H new ATOM 0 HB2 LEU A 190 -6.527 -8.397 1.752 1.00 0.45 H new ATOM 0 HB3 LEU A 190 -8.190 -8.376 1.200 1.00 0.45 H new ATOM 0 HG LEU A 190 -8.604 -9.830 3.358 1.00 0.61 H new ATOM 0 HD11 LEU A 190 -7.169 -9.122 5.230 1.00 1.05 H new ATOM 0 HD12 LEU A 190 -6.263 -10.037 4.002 1.00 1.05 H new ATOM 0 HD13 LEU A 190 -6.111 -8.266 4.083 1.00 1.05 H new ATOM 0 HD21 LEU A 190 -9.071 -7.755 4.608 1.00 1.28 H new ATOM 0 HD22 LEU A 190 -8.106 -6.839 3.426 1.00 1.28 H new ATOM 0 HD23 LEU A 190 -9.605 -7.649 2.914 1.00 1.28 H new ATOM 665 N ILE A 191 -7.788 -9.589 -1.085 1.00 0.37 N ATOM 666 CA ILE A 191 -7.535 -9.286 -2.480 1.00 0.35 C ATOM 667 C ILE A 191 -7.663 -7.785 -2.734 1.00 0.36 C ATOM 668 O ILE A 191 -8.499 -7.107 -2.137 1.00 0.39 O ATOM 669 CB ILE A 191 -8.505 -10.040 -3.412 1.00 0.39 C ATOM 670 CG1 ILE A 191 -9.958 -9.718 -3.047 1.00 0.45 C ATOM 671 CG2 ILE A 191 -8.243 -11.534 -3.318 1.00 0.41 C ATOM 672 CD1 ILE A 191 -10.960 -10.154 -4.085 1.00 0.52 C ATOM 0 H ILE A 191 -8.719 -9.321 -0.765 1.00 0.37 H new ATOM 0 HA ILE A 191 -6.518 -9.612 -2.700 1.00 0.35 H new ATOM 0 HB ILE A 191 -8.338 -9.717 -4.440 1.00 0.39 H new ATOM 0 HG12 ILE A 191 -10.199 -10.199 -2.099 1.00 0.45 H new ATOM 0 HG13 ILE A 191 -10.054 -8.643 -2.893 1.00 0.45 H new ATOM 0 HG21 ILE A 191 -8.929 -12.066 -3.977 1.00 0.41 H new ATOM 0 HG22 ILE A 191 -7.216 -11.743 -3.618 1.00 0.41 H new ATOM 0 HG23 ILE A 191 -8.395 -11.866 -2.291 1.00 0.41 H new ATOM 0 HD11 ILE A 191 -11.965 -9.891 -3.754 1.00 0.52 H new ATOM 0 HD12 ILE A 191 -10.747 -9.653 -5.029 1.00 0.52 H new ATOM 0 HD13 ILE A 191 -10.894 -11.233 -4.223 1.00 0.52 H new ATOM 684 N PRO A 192 -6.820 -7.256 -3.629 1.00 0.39 N ATOM 685 CA PRO A 192 -6.779 -5.825 -3.958 1.00 0.43 C ATOM 686 C PRO A 192 -7.972 -5.354 -4.791 1.00 0.41 C ATOM 687 O PRO A 192 -8.105 -4.164 -5.068 1.00 0.46 O ATOM 688 CB PRO A 192 -5.489 -5.695 -4.767 1.00 0.52 C ATOM 689 CG PRO A 192 -5.295 -7.034 -5.382 1.00 0.48 C ATOM 690 CD PRO A 192 -5.805 -8.021 -4.373 1.00 0.43 C ATOM 0 HA PRO A 192 -6.817 -5.210 -3.059 1.00 0.43 H new ATOM 0 HB2 PRO A 192 -5.574 -4.918 -5.527 1.00 0.52 H new ATOM 0 HB3 PRO A 192 -4.647 -5.426 -4.130 1.00 0.52 H new ATOM 0 HG2 PRO A 192 -5.842 -7.116 -6.321 1.00 0.48 H new ATOM 0 HG3 PRO A 192 -4.244 -7.213 -5.608 1.00 0.48 H new ATOM 0 HD2 PRO A 192 -6.236 -8.900 -4.853 1.00 0.43 H new ATOM 0 HD3 PRO A 192 -5.008 -8.374 -3.718 1.00 0.43 H new ATOM 698 N GLU A 193 -8.834 -6.280 -5.189 1.00 0.39 N ATOM 699 CA GLU A 193 -9.979 -5.938 -6.027 1.00 0.43 C ATOM 700 C GLU A 193 -10.999 -5.116 -5.252 1.00 0.36 C ATOM 701 O GLU A 193 -11.547 -4.145 -5.766 1.00 0.45 O ATOM 702 CB GLU A 193 -10.649 -7.193 -6.573 1.00 0.57 C ATOM 703 CG GLU A 193 -9.717 -8.095 -7.359 1.00 0.99 C ATOM 704 CD GLU A 193 -10.470 -9.147 -8.138 1.00 1.20 C ATOM 705 OE1 GLU A 193 -10.826 -8.882 -9.303 1.00 1.73 O ATOM 706 OE2 GLU A 193 -10.729 -10.235 -7.583 1.00 1.74 O ATOM 0 H GLU A 193 -8.765 -7.269 -4.948 1.00 0.39 H new ATOM 0 HA GLU A 193 -9.605 -5.343 -6.860 1.00 0.43 H new ATOM 0 HB2 GLU A 193 -11.071 -7.759 -5.742 1.00 0.57 H new ATOM 0 HB3 GLU A 193 -11.481 -6.900 -7.214 1.00 0.57 H new ATOM 0 HG2 GLU A 193 -9.123 -7.492 -8.045 1.00 0.99 H new ATOM 0 HG3 GLU A 193 -9.020 -8.580 -6.675 1.00 0.99 H new ATOM 713 N CYS A 194 -11.246 -5.505 -4.013 1.00 0.33 N ATOM 714 CA CYS A 194 -12.231 -4.822 -3.188 1.00 0.36 C ATOM 715 C CYS A 194 -11.554 -3.806 -2.274 1.00 0.33 C ATOM 716 O CYS A 194 -12.153 -3.306 -1.323 1.00 0.49 O ATOM 717 CB CYS A 194 -13.016 -5.846 -2.367 1.00 0.48 C ATOM 718 SG CYS A 194 -11.985 -6.883 -1.304 1.00 1.69 S ATOM 0 H CYS A 194 -10.780 -6.289 -3.556 1.00 0.33 H new ATOM 0 HA CYS A 194 -12.923 -4.284 -3.836 1.00 0.36 H new ATOM 0 HB2 CYS A 194 -13.743 -5.320 -1.749 1.00 0.48 H new ATOM 0 HB3 CYS A 194 -13.579 -6.486 -3.046 1.00 0.48 H new ATOM 0 HG CYS A 194 -10.953 -6.202 -0.902 1.00 1.69 H new ATOM 724 N CYS A 195 -10.311 -3.484 -2.584 1.00 0.27 N ATOM 725 CA CYS A 195 -9.520 -2.603 -1.747 1.00 0.25 C ATOM 726 C CYS A 195 -9.025 -1.401 -2.547 1.00 0.23 C ATOM 727 O CYS A 195 -8.831 -1.493 -3.758 1.00 0.29 O ATOM 728 CB CYS A 195 -8.341 -3.380 -1.159 1.00 0.28 C ATOM 729 SG CYS A 195 -8.834 -4.750 -0.089 1.00 0.52 S ATOM 0 H CYS A 195 -9.826 -3.823 -3.415 1.00 0.27 H new ATOM 0 HA CYS A 195 -10.143 -2.231 -0.934 1.00 0.25 H new ATOM 0 HB2 CYS A 195 -7.731 -3.769 -1.974 1.00 0.28 H new ATOM 0 HB3 CYS A 195 -7.713 -2.694 -0.590 1.00 0.28 H new ATOM 0 HG CYS A 195 -8.770 -5.865 -0.754 1.00 0.52 H new ATOM 735 N ALA A 196 -8.858 -0.270 -1.872 1.00 0.26 N ATOM 736 CA ALA A 196 -8.300 0.924 -2.494 1.00 0.26 C ATOM 737 C ALA A 196 -7.014 1.313 -1.796 1.00 0.25 C ATOM 738 O ALA A 196 -6.845 1.030 -0.616 1.00 0.39 O ATOM 739 CB ALA A 196 -9.278 2.084 -2.421 1.00 0.37 C ATOM 0 H ALA A 196 -9.103 -0.155 -0.888 1.00 0.26 H new ATOM 0 HA ALA A 196 -8.101 0.699 -3.542 1.00 0.26 H new ATOM 0 HB1 ALA A 196 -8.837 2.962 -2.892 1.00 0.37 H new ATOM 0 HB2 ALA A 196 -10.198 1.817 -2.941 1.00 0.37 H new ATOM 0 HB3 ALA A 196 -9.502 2.306 -1.378 1.00 0.37 H new ATOM 745 N VAL A 197 -6.114 1.962 -2.507 1.00 0.23 N ATOM 746 CA VAL A 197 -4.880 2.425 -1.894 1.00 0.23 C ATOM 747 C VAL A 197 -4.769 3.937 -1.977 1.00 0.24 C ATOM 748 O VAL A 197 -4.845 4.523 -3.060 1.00 0.36 O ATOM 749 CB VAL A 197 -3.625 1.826 -2.545 1.00 0.29 C ATOM 750 CG1 VAL A 197 -2.386 2.118 -1.713 1.00 0.94 C ATOM 751 CG2 VAL A 197 -3.788 0.343 -2.763 1.00 1.06 C ATOM 0 H VAL A 197 -6.209 2.180 -3.499 1.00 0.23 H new ATOM 0 HA VAL A 197 -4.928 2.094 -0.857 1.00 0.23 H new ATOM 0 HB VAL A 197 -3.495 2.299 -3.518 1.00 0.29 H new ATOM 0 HG11 VAL A 197 -1.512 1.682 -2.197 1.00 0.94 H new ATOM 0 HG12 VAL A 197 -2.253 3.196 -1.625 1.00 0.94 H new ATOM 0 HG13 VAL A 197 -2.504 1.685 -0.720 1.00 0.94 H new ATOM 0 HG21 VAL A 197 -2.886 -0.058 -3.225 1.00 1.06 H new ATOM 0 HG22 VAL A 197 -3.955 -0.149 -1.805 1.00 1.06 H new ATOM 0 HG23 VAL A 197 -4.641 0.163 -3.417 1.00 1.06 H new ATOM 761 N TYR A 198 -4.593 4.554 -0.832 1.00 0.29 N ATOM 762 CA TYR A 198 -4.348 5.980 -0.756 1.00 0.37 C ATOM 763 C TYR A 198 -3.603 6.306 0.529 1.00 0.45 C ATOM 764 O TYR A 198 -3.737 5.606 1.526 1.00 0.88 O ATOM 765 CB TYR A 198 -5.637 6.782 -0.916 1.00 0.93 C ATOM 766 CG TYR A 198 -6.646 6.622 0.160 1.00 0.33 C ATOM 767 CD1 TYR A 198 -6.589 7.468 1.223 1.00 0.69 C ATOM 768 CD2 TYR A 198 -7.654 5.679 0.098 1.00 0.53 C ATOM 769 CE1 TYR A 198 -7.515 7.400 2.241 1.00 1.46 C ATOM 770 CE2 TYR A 198 -8.590 5.589 1.102 1.00 1.18 C ATOM 771 CZ TYR A 198 -8.519 6.455 2.177 1.00 1.70 C ATOM 772 OH TYR A 198 -9.461 6.385 3.178 1.00 2.49 O ATOM 0 H TYR A 198 -4.615 4.085 0.073 1.00 0.29 H new ATOM 0 HA TYR A 198 -3.713 6.277 -1.591 1.00 0.37 H new ATOM 0 HB2 TYR A 198 -5.377 7.838 -0.987 1.00 0.93 H new ATOM 0 HB3 TYR A 198 -6.099 6.503 -1.863 1.00 0.93 H new ATOM 0 HD1 TYR A 198 -5.803 8.207 1.270 1.00 0.69 H new ATOM 0 HD2 TYR A 198 -7.707 5.007 -0.746 1.00 0.53 H new ATOM 0 HE1 TYR A 198 -7.456 8.078 3.079 1.00 1.46 H new ATOM 0 HE2 TYR A 198 -9.374 4.848 1.051 1.00 1.18 H new ATOM 0 HH TYR A 198 -10.059 5.626 3.012 1.00 2.49 H new ATOM 934 N ILE A 208 -3.307 7.019 -4.041 1.00 0.36 N ATOM 935 CA ILE A 208 -2.234 6.455 -4.838 1.00 0.36 C ATOM 936 C ILE A 208 -2.802 5.858 -6.102 1.00 0.32 C ATOM 937 O ILE A 208 -3.931 5.363 -6.120 1.00 0.44 O ATOM 938 CB ILE A 208 -1.462 5.331 -4.102 1.00 0.42 C ATOM 939 CG1 ILE A 208 -1.154 5.709 -2.662 1.00 0.56 C ATOM 940 CG2 ILE A 208 -0.177 4.995 -4.827 1.00 0.52 C ATOM 941 CD1 ILE A 208 -0.453 7.035 -2.494 1.00 0.90 C ATOM 0 HA ILE A 208 -1.544 7.273 -5.046 1.00 0.36 H new ATOM 0 HB ILE A 208 -2.108 4.453 -4.094 1.00 0.42 H new ATOM 0 HG12 ILE A 208 -2.087 5.733 -2.099 1.00 0.56 H new ATOM 0 HG13 ILE A 208 -0.535 4.928 -2.220 1.00 0.56 H new ATOM 0 HG21 ILE A 208 0.347 4.204 -4.291 1.00 0.52 H new ATOM 0 HG22 ILE A 208 -0.407 4.658 -5.838 1.00 0.52 H new ATOM 0 HG23 ILE A 208 0.456 5.881 -4.875 1.00 0.52 H new ATOM 0 HD11 ILE A 208 -0.274 7.221 -1.435 1.00 0.90 H new ATOM 0 HD12 ILE A 208 0.499 7.013 -3.024 1.00 0.90 H new ATOM 0 HD13 ILE A 208 -1.077 7.831 -2.902 1.00 0.90 H new ATOM 953 N GLY A 209 -2.021 5.912 -7.150 1.00 0.34 N ATOM 954 CA GLY A 209 -2.377 5.224 -8.358 1.00 0.37 C ATOM 955 C GLY A 209 -1.913 3.792 -8.282 1.00 0.31 C ATOM 956 O GLY A 209 -0.771 3.530 -7.921 1.00 0.33 O ATOM 0 H GLY A 209 -1.139 6.423 -7.189 1.00 0.34 H new ATOM 0 HA2 GLY A 209 -3.457 5.259 -8.504 1.00 0.37 H new ATOM 0 HA3 GLY A 209 -1.923 5.718 -9.217 1.00 0.37 H new ATOM 960 N TRP A 210 -2.789 2.861 -8.594 1.00 0.29 N ATOM 961 CA TRP A 210 -2.436 1.453 -8.549 1.00 0.27 C ATOM 962 C TRP A 210 -1.372 1.142 -9.601 1.00 0.27 C ATOM 963 O TRP A 210 -0.636 0.161 -9.489 1.00 0.30 O ATOM 964 CB TRP A 210 -3.679 0.588 -8.760 1.00 0.31 C ATOM 965 CG TRP A 210 -4.604 0.545 -7.572 1.00 0.28 C ATOM 966 CD1 TRP A 210 -5.499 1.499 -7.170 1.00 0.31 C ATOM 967 CD2 TRP A 210 -4.724 -0.532 -6.641 1.00 0.26 C ATOM 968 NE1 TRP A 210 -6.163 1.077 -6.036 1.00 0.30 N ATOM 969 CE2 TRP A 210 -5.705 -0.171 -5.698 1.00 0.26 C ATOM 970 CE3 TRP A 210 -4.092 -1.765 -6.517 1.00 0.29 C ATOM 971 CZ2 TRP A 210 -6.066 -1.014 -4.647 1.00 0.26 C ATOM 972 CZ3 TRP A 210 -4.449 -2.596 -5.475 1.00 0.31 C ATOM 973 CH2 TRP A 210 -5.430 -2.218 -4.553 1.00 0.29 C ATOM 0 H TRP A 210 -3.749 3.050 -8.881 1.00 0.29 H new ATOM 0 HA TRP A 210 -2.024 1.223 -7.566 1.00 0.27 H new ATOM 0 HB2 TRP A 210 -4.229 0.965 -9.622 1.00 0.31 H new ATOM 0 HB3 TRP A 210 -3.366 -0.428 -9.001 1.00 0.31 H new ATOM 0 HD1 TRP A 210 -5.662 2.444 -7.667 1.00 0.31 H new ATOM 0 HE1 TRP A 210 -6.876 1.605 -5.533 1.00 0.30 H new ATOM 0 HE3 TRP A 210 -3.334 -2.067 -7.225 1.00 0.29 H new ATOM 0 HZ2 TRP A 210 -6.822 -0.724 -3.933 1.00 0.26 H new ATOM 0 HZ3 TRP A 210 -3.963 -3.555 -5.370 1.00 0.31 H new ATOM 0 HH2 TRP A 210 -5.690 -2.892 -3.750 1.00 0.29 H new ATOM 984 N ASP A 211 -1.280 2.007 -10.607 1.00 0.27 N ATOM 985 CA ASP A 211 -0.287 1.866 -11.667 1.00 0.29 C ATOM 986 C ASP A 211 0.941 2.726 -11.355 1.00 0.25 C ATOM 987 O ASP A 211 1.898 2.782 -12.123 1.00 0.32 O ATOM 988 CB ASP A 211 -0.898 2.265 -13.015 1.00 0.39 C ATOM 989 CG ASP A 211 0.002 1.956 -14.199 1.00 1.49 C ATOM 990 OD1 ASP A 211 0.682 2.881 -14.693 1.00 2.30 O ATOM 991 OD2 ASP A 211 0.016 0.794 -14.658 1.00 2.30 O ATOM 0 H ASP A 211 -1.887 2.820 -10.710 1.00 0.27 H new ATOM 0 HA ASP A 211 0.027 0.824 -11.725 1.00 0.29 H new ATOM 0 HB2 ASP A 211 -1.847 1.745 -13.144 1.00 0.39 H new ATOM 0 HB3 ASP A 211 -1.118 3.332 -13.004 1.00 0.39 H new ATOM 996 N THR A 212 0.906 3.391 -10.210 1.00 0.23 N ATOM 997 CA THR A 212 2.019 4.208 -9.759 1.00 0.23 C ATOM 998 C THR A 212 3.179 3.321 -9.309 1.00 0.21 C ATOM 999 O THR A 212 2.970 2.220 -8.805 1.00 0.26 O ATOM 1000 CB THR A 212 1.568 5.132 -8.604 1.00 0.25 C ATOM 1001 OG1 THR A 212 0.606 6.075 -9.091 1.00 0.30 O ATOM 1002 CG2 THR A 212 2.734 5.881 -7.968 1.00 0.31 C ATOM 0 H THR A 212 0.110 3.379 -9.572 1.00 0.23 H new ATOM 0 HA THR A 212 2.358 4.828 -10.589 1.00 0.23 H new ATOM 0 HB THR A 212 1.126 4.498 -7.835 1.00 0.25 H new ATOM 0 HG1 THR A 212 0.439 6.756 -8.406 1.00 0.30 H new ATOM 0 HG21 THR A 212 2.363 6.515 -7.163 1.00 0.31 H new ATOM 0 HG22 THR A 212 3.450 5.165 -7.565 1.00 0.31 H new ATOM 0 HG23 THR A 212 3.223 6.499 -8.721 1.00 0.31 H new ATOM 1010 N ASP A 213 4.392 3.788 -9.540 1.00 0.23 N ATOM 1011 CA ASP A 213 5.589 3.080 -9.109 1.00 0.25 C ATOM 1012 C ASP A 213 5.714 3.118 -7.588 1.00 0.23 C ATOM 1013 O ASP A 213 5.883 4.185 -6.996 1.00 0.29 O ATOM 1014 CB ASP A 213 6.825 3.706 -9.756 1.00 0.32 C ATOM 1015 CG ASP A 213 8.119 3.069 -9.291 1.00 0.93 C ATOM 1016 OD1 ASP A 213 8.778 3.644 -8.407 1.00 1.73 O ATOM 1017 OD2 ASP A 213 8.491 2.000 -9.820 1.00 1.66 O ATOM 0 H ASP A 213 4.578 4.664 -10.029 1.00 0.23 H new ATOM 0 HA ASP A 213 5.512 2.039 -9.422 1.00 0.25 H new ATOM 0 HB2 ASP A 213 6.749 3.613 -10.839 1.00 0.32 H new ATOM 0 HB3 ASP A 213 6.848 4.772 -9.528 1.00 0.32 H new ATOM 1022 N ILE A 214 5.621 1.945 -6.966 1.00 0.23 N ATOM 1023 CA ILE A 214 5.702 1.825 -5.510 1.00 0.21 C ATOM 1024 C ILE A 214 7.058 2.284 -4.986 1.00 0.19 C ATOM 1025 O ILE A 214 7.171 2.791 -3.873 1.00 0.21 O ATOM 1026 CB ILE A 214 5.452 0.371 -5.033 1.00 0.22 C ATOM 1027 CG1 ILE A 214 5.823 0.227 -3.551 1.00 0.24 C ATOM 1028 CG2 ILE A 214 6.218 -0.634 -5.892 1.00 0.26 C ATOM 1029 CD1 ILE A 214 5.715 -1.181 -3.029 1.00 0.29 C ATOM 0 H ILE A 214 5.489 1.057 -7.451 1.00 0.23 H new ATOM 0 HA ILE A 214 4.919 2.470 -5.110 1.00 0.21 H new ATOM 0 HB ILE A 214 4.390 0.152 -5.146 1.00 0.22 H new ATOM 0 HG12 ILE A 214 6.844 0.580 -3.406 1.00 0.24 H new ATOM 0 HG13 ILE A 214 5.175 0.874 -2.960 1.00 0.24 H new ATOM 0 HG21 ILE A 214 6.022 -1.644 -5.532 1.00 0.26 H new ATOM 0 HG22 ILE A 214 5.893 -0.549 -6.929 1.00 0.26 H new ATOM 0 HG23 ILE A 214 7.286 -0.427 -5.828 1.00 0.26 H new ATOM 0 HD11 ILE A 214 5.993 -1.201 -1.975 1.00 0.29 H new ATOM 0 HD12 ILE A 214 4.689 -1.533 -3.140 1.00 0.29 H new ATOM 0 HD13 ILE A 214 6.384 -1.831 -3.593 1.00 0.29 H new ATOM 1041 N SER A 215 8.073 2.129 -5.808 1.00 0.21 N ATOM 1042 CA SER A 215 9.433 2.388 -5.391 1.00 0.23 C ATOM 1043 C SER A 215 9.679 3.900 -5.260 1.00 0.25 C ATOM 1044 O SER A 215 10.721 4.340 -4.771 1.00 0.31 O ATOM 1045 CB SER A 215 10.380 1.719 -6.389 1.00 0.31 C ATOM 1046 OG SER A 215 10.884 2.636 -7.346 1.00 1.07 O ATOM 0 H SER A 215 7.980 1.822 -6.776 1.00 0.21 H new ATOM 0 HA SER A 215 9.619 1.965 -4.404 1.00 0.23 H new ATOM 0 HB2 SER A 215 11.212 1.265 -5.850 1.00 0.31 H new ATOM 0 HB3 SER A 215 9.855 0.913 -6.902 1.00 0.31 H new ATOM 0 HG SER A 215 10.213 2.781 -8.045 1.00 1.07 H new ATOM 1052 N TRP A 216 8.702 4.691 -5.702 1.00 0.25 N ATOM 1053 CA TRP A 216 8.711 6.134 -5.481 1.00 0.33 C ATOM 1054 C TRP A 216 8.180 6.447 -4.084 1.00 0.33 C ATOM 1055 O TRP A 216 8.461 7.500 -3.509 1.00 0.45 O ATOM 1056 CB TRP A 216 7.844 6.836 -6.536 1.00 0.40 C ATOM 1057 CG TRP A 216 7.816 8.331 -6.406 1.00 1.13 C ATOM 1058 CD1 TRP A 216 8.891 9.169 -6.334 1.00 1.75 C ATOM 1059 CD2 TRP A 216 6.653 9.165 -6.342 1.00 1.92 C ATOM 1060 NE1 TRP A 216 8.467 10.469 -6.213 1.00 2.60 N ATOM 1061 CE2 TRP A 216 7.098 10.493 -6.219 1.00 2.73 C ATOM 1062 CE3 TRP A 216 5.278 8.916 -6.373 1.00 2.29 C ATOM 1063 CZ2 TRP A 216 6.217 11.568 -6.127 1.00 3.66 C ATOM 1064 CZ3 TRP A 216 4.405 9.983 -6.282 1.00 3.27 C ATOM 1065 CH2 TRP A 216 4.877 11.294 -6.160 1.00 3.87 C ATOM 0 H TRP A 216 7.890 4.353 -6.218 1.00 0.25 H new ATOM 0 HA TRP A 216 9.735 6.498 -5.566 1.00 0.33 H new ATOM 0 HB2 TRP A 216 8.213 6.575 -7.528 1.00 0.40 H new ATOM 0 HB3 TRP A 216 6.825 6.456 -6.465 1.00 0.40 H new ATOM 0 HD1 TRP A 216 9.924 8.855 -6.367 1.00 1.75 H new ATOM 0 HE1 TRP A 216 9.074 11.285 -6.132 1.00 2.60 H new ATOM 0 HE3 TRP A 216 4.904 7.907 -6.466 1.00 2.29 H new ATOM 0 HZ2 TRP A 216 6.579 12.581 -6.033 1.00 3.66 H new ATOM 0 HZ3 TRP A 216 3.341 9.802 -6.305 1.00 3.27 H new ATOM 0 HH2 TRP A 216 4.169 12.107 -6.090 1.00 3.87 H new ATOM 1076 N LEU A 217 7.426 5.507 -3.538 1.00 0.25 N ATOM 1077 CA LEU A 217 6.768 5.691 -2.253 1.00 0.26 C ATOM 1078 C LEU A 217 7.596 5.052 -1.147 1.00 0.24 C ATOM 1079 O LEU A 217 7.118 4.860 -0.036 1.00 0.25 O ATOM 1080 CB LEU A 217 5.371 5.068 -2.299 1.00 0.26 C ATOM 1081 CG LEU A 217 4.594 5.316 -3.597 1.00 0.47 C ATOM 1082 CD1 LEU A 217 3.233 4.649 -3.547 1.00 1.21 C ATOM 1083 CD2 LEU A 217 4.450 6.805 -3.864 1.00 0.92 C ATOM 0 H LEU A 217 7.253 4.599 -3.970 1.00 0.25 H new ATOM 0 HA LEU A 217 6.675 6.757 -2.045 1.00 0.26 H new ATOM 0 HB2 LEU A 217 5.464 3.992 -2.149 1.00 0.26 H new ATOM 0 HB3 LEU A 217 4.788 5.457 -1.464 1.00 0.26 H new ATOM 0 HG LEU A 217 5.160 4.875 -4.418 1.00 0.47 H new ATOM 0 HD11 LEU A 217 2.700 4.839 -4.479 1.00 1.21 H new ATOM 0 HD12 LEU A 217 3.359 3.575 -3.414 1.00 1.21 H new ATOM 0 HD13 LEU A 217 2.660 5.053 -2.713 1.00 1.21 H new ATOM 0 HD21 LEU A 217 3.895 6.957 -4.790 1.00 0.92 H new ATOM 0 HD22 LEU A 217 3.913 7.272 -3.039 1.00 0.92 H new ATOM 0 HD23 LEU A 217 5.438 7.256 -3.955 1.00 0.92 H new ATOM 1095 N THR A 218 8.825 4.685 -1.491 1.00 0.25 N ATOM 1096 CA THR A 218 9.794 4.145 -0.546 1.00 0.26 C ATOM 1097 C THR A 218 9.738 4.808 0.830 1.00 0.28 C ATOM 1098 O THR A 218 9.761 6.033 0.943 1.00 0.32 O ATOM 1099 CB THR A 218 11.220 4.312 -1.078 1.00 0.31 C ATOM 1100 OG1 THR A 218 11.377 3.623 -2.320 1.00 0.32 O ATOM 1101 CG2 THR A 218 12.187 3.779 -0.062 1.00 0.39 C ATOM 0 H THR A 218 9.180 4.755 -2.445 1.00 0.25 H new ATOM 0 HA THR A 218 9.529 3.093 -0.436 1.00 0.26 H new ATOM 0 HB THR A 218 11.418 5.370 -1.252 1.00 0.31 H new ATOM 0 HG1 THR A 218 11.111 4.212 -3.057 1.00 0.32 H new ATOM 0 HG21 THR A 218 13.205 3.894 -0.433 1.00 0.39 H new ATOM 0 HG22 THR A 218 12.076 4.332 0.871 1.00 0.39 H new ATOM 0 HG23 THR A 218 11.983 2.723 0.116 1.00 0.39 H new ATOM 1109 N GLY A 219 9.665 3.980 1.870 1.00 0.30 N ATOM 1110 CA GLY A 219 9.726 4.474 3.230 1.00 0.37 C ATOM 1111 C GLY A 219 8.397 5.006 3.706 1.00 0.38 C ATOM 1112 O GLY A 219 8.184 5.194 4.903 1.00 0.53 O ATOM 0 H GLY A 219 9.564 2.968 1.790 1.00 0.30 H new ATOM 0 HA2 GLY A 219 10.051 3.671 3.892 1.00 0.37 H new ATOM 0 HA3 GLY A 219 10.475 5.263 3.294 1.00 0.37 H new ATOM 1116 N GLU A 220 7.492 5.212 2.769 1.00 0.29 N ATOM 1117 CA GLU A 220 6.206 5.818 3.075 1.00 0.29 C ATOM 1118 C GLU A 220 5.258 4.779 3.662 1.00 0.28 C ATOM 1119 O GLU A 220 5.454 3.572 3.491 1.00 0.40 O ATOM 1120 CB GLU A 220 5.595 6.443 1.812 1.00 0.36 C ATOM 1121 CG GLU A 220 4.413 7.363 2.081 1.00 1.26 C ATOM 1122 CD GLU A 220 4.748 8.461 3.067 1.00 1.53 C ATOM 1123 OE1 GLU A 220 4.231 8.421 4.204 1.00 2.02 O ATOM 1124 OE2 GLU A 220 5.540 9.362 2.718 1.00 2.16 O ATOM 0 H GLU A 220 7.622 4.969 1.787 1.00 0.29 H new ATOM 0 HA GLU A 220 6.360 6.606 3.813 1.00 0.29 H new ATOM 0 HB2 GLU A 220 6.368 7.006 1.289 1.00 0.36 H new ATOM 0 HB3 GLU A 220 5.275 5.644 1.143 1.00 0.36 H new ATOM 0 HG2 GLU A 220 4.083 7.809 1.143 1.00 1.26 H new ATOM 0 HG3 GLU A 220 3.579 6.776 2.465 1.00 1.26 H new ATOM 1131 N GLU A 221 4.255 5.253 4.378 1.00 0.30 N ATOM 1132 CA GLU A 221 3.222 4.387 4.904 1.00 0.30 C ATOM 1133 C GLU A 221 1.923 4.628 4.168 1.00 0.31 C ATOM 1134 O GLU A 221 1.342 5.712 4.223 1.00 0.38 O ATOM 1135 CB GLU A 221 3.035 4.589 6.402 1.00 0.38 C ATOM 1136 CG GLU A 221 4.166 3.999 7.230 1.00 0.46 C ATOM 1137 CD GLU A 221 4.043 4.284 8.710 1.00 1.26 C ATOM 1138 OE1 GLU A 221 3.584 3.396 9.462 1.00 2.01 O ATOM 1139 OE2 GLU A 221 4.428 5.392 9.137 1.00 2.03 O ATOM 0 H GLU A 221 4.136 6.239 4.608 1.00 0.30 H new ATOM 0 HA GLU A 221 3.533 3.354 4.749 1.00 0.30 H new ATOM 0 HB2 GLU A 221 2.958 5.656 6.612 1.00 0.38 H new ATOM 0 HB3 GLU A 221 2.093 4.135 6.709 1.00 0.38 H new ATOM 0 HG2 GLU A 221 4.193 2.920 7.077 1.00 0.46 H new ATOM 0 HG3 GLU A 221 5.115 4.396 6.869 1.00 0.46 H new ATOM 1146 N LEU A 222 1.492 3.607 3.474 1.00 0.26 N ATOM 1147 CA LEU A 222 0.302 3.670 2.652 1.00 0.27 C ATOM 1148 C LEU A 222 -0.911 3.143 3.407 1.00 0.25 C ATOM 1149 O LEU A 222 -0.775 2.504 4.445 1.00 0.32 O ATOM 1150 CB LEU A 222 0.528 2.846 1.385 1.00 0.29 C ATOM 1151 CG LEU A 222 1.589 3.392 0.429 1.00 0.54 C ATOM 1152 CD1 LEU A 222 1.584 2.606 -0.872 1.00 1.19 C ATOM 1153 CD2 LEU A 222 1.363 4.872 0.166 1.00 1.19 C ATOM 0 H LEU A 222 1.957 2.699 3.460 1.00 0.26 H new ATOM 0 HA LEU A 222 0.108 4.710 2.389 1.00 0.27 H new ATOM 0 HB2 LEU A 222 0.811 1.834 1.675 1.00 0.29 H new ATOM 0 HB3 LEU A 222 -0.417 2.771 0.847 1.00 0.29 H new ATOM 0 HG LEU A 222 2.567 3.277 0.896 1.00 0.54 H new ATOM 0 HD11 LEU A 222 2.345 3.007 -1.542 1.00 1.19 H new ATOM 0 HD12 LEU A 222 1.799 1.558 -0.665 1.00 1.19 H new ATOM 0 HD13 LEU A 222 0.605 2.689 -1.344 1.00 1.19 H new ATOM 0 HD21 LEU A 222 2.128 5.241 -0.516 1.00 1.19 H new ATOM 0 HD22 LEU A 222 0.379 5.016 -0.280 1.00 1.19 H new ATOM 0 HD23 LEU A 222 1.419 5.421 1.106 1.00 1.19 H new ATOM 1165 N HIS A 223 -2.096 3.433 2.893 1.00 0.24 N ATOM 1166 CA HIS A 223 -3.333 2.939 3.482 1.00 0.26 C ATOM 1167 C HIS A 223 -4.175 2.226 2.438 1.00 0.28 C ATOM 1168 O HIS A 223 -4.490 2.795 1.390 1.00 0.46 O ATOM 1169 CB HIS A 223 -4.150 4.090 4.077 1.00 0.45 C ATOM 1170 CG HIS A 223 -3.949 4.294 5.540 1.00 0.94 C ATOM 1171 ND1 HIS A 223 -4.875 3.898 6.477 1.00 1.30 N ATOM 1172 CD2 HIS A 223 -2.941 4.874 6.229 1.00 1.85 C ATOM 1173 CE1 HIS A 223 -4.445 4.224 7.681 1.00 2.26 C ATOM 1174 NE2 HIS A 223 -3.273 4.818 7.560 1.00 2.63 N ATOM 0 H HIS A 223 -2.228 4.012 2.064 1.00 0.24 H new ATOM 0 HA HIS A 223 -3.065 2.240 4.274 1.00 0.26 H new ATOM 0 HB2 HIS A 223 -3.891 5.011 3.555 1.00 0.45 H new ATOM 0 HB3 HIS A 223 -5.208 3.904 3.890 1.00 0.45 H new ATOM 0 HD1 HIS A 223 -5.756 3.426 6.273 1.00 1.30 H new ATOM 0 HD2 HIS A 223 -2.042 5.302 5.810 1.00 1.85 H new ATOM 0 HE1 HIS A 223 -4.965 4.036 8.609 1.00 2.26 H new ATOM 1183 N VAL A 224 -4.513 0.981 2.707 1.00 0.27 N ATOM 1184 CA VAL A 224 -5.474 0.273 1.890 1.00 0.34 C ATOM 1185 C VAL A 224 -6.819 0.250 2.590 1.00 0.38 C ATOM 1186 O VAL A 224 -6.994 -0.380 3.633 1.00 0.51 O ATOM 1187 CB VAL A 224 -5.046 -1.166 1.562 1.00 0.55 C ATOM 1188 CG1 VAL A 224 -6.138 -1.863 0.779 1.00 0.91 C ATOM 1189 CG2 VAL A 224 -3.779 -1.171 0.747 1.00 0.97 C ATOM 0 H VAL A 224 -4.136 0.440 3.485 1.00 0.27 H new ATOM 0 HA VAL A 224 -5.539 0.811 0.944 1.00 0.34 H new ATOM 0 HB VAL A 224 -4.869 -1.691 2.501 1.00 0.55 H new ATOM 0 HG11 VAL A 224 -5.828 -2.882 0.550 1.00 0.91 H new ATOM 0 HG12 VAL A 224 -7.052 -1.887 1.372 1.00 0.91 H new ATOM 0 HG13 VAL A 224 -6.322 -1.322 -0.150 1.00 0.91 H new ATOM 0 HG21 VAL A 224 -3.493 -2.199 0.525 1.00 0.97 H new ATOM 0 HG22 VAL A 224 -3.944 -0.631 -0.185 1.00 0.97 H new ATOM 0 HG23 VAL A 224 -2.982 -0.686 1.311 1.00 0.97 H new ATOM 1199 N GLU A 225 -7.757 0.952 2.003 1.00 0.38 N ATOM 1200 CA GLU A 225 -9.070 1.118 2.578 1.00 0.49 C ATOM 1201 C GLU A 225 -10.100 0.471 1.662 1.00 0.39 C ATOM 1202 O GLU A 225 -10.158 0.782 0.472 1.00 0.46 O ATOM 1203 CB GLU A 225 -9.343 2.609 2.749 1.00 0.68 C ATOM 1204 CG GLU A 225 -8.261 3.335 3.553 1.00 0.93 C ATOM 1205 CD GLU A 225 -8.266 2.986 5.034 1.00 1.32 C ATOM 1206 OE1 GLU A 225 -7.174 2.843 5.629 1.00 1.78 O ATOM 1207 OE2 GLU A 225 -9.362 2.865 5.619 1.00 1.94 O ATOM 0 H GLU A 225 -7.631 1.427 1.109 1.00 0.38 H new ATOM 0 HA GLU A 225 -9.130 0.637 3.554 1.00 0.49 H new ATOM 0 HB2 GLU A 225 -9.426 3.071 1.765 1.00 0.68 H new ATOM 0 HB3 GLU A 225 -10.304 2.741 3.245 1.00 0.68 H new ATOM 0 HG2 GLU A 225 -7.284 3.092 3.134 1.00 0.93 H new ATOM 0 HG3 GLU A 225 -8.397 4.411 3.441 1.00 0.93 H new ATOM 1214 N VAL A 226 -10.890 -0.439 2.218 1.00 0.50 N ATOM 1215 CA VAL A 226 -11.835 -1.235 1.437 1.00 0.48 C ATOM 1216 C VAL A 226 -12.789 -0.358 0.635 1.00 0.52 C ATOM 1217 O VAL A 226 -13.337 0.621 1.150 1.00 0.69 O ATOM 1218 CB VAL A 226 -12.646 -2.184 2.344 1.00 0.64 C ATOM 1219 CG1 VAL A 226 -13.581 -3.066 1.529 1.00 1.12 C ATOM 1220 CG2 VAL A 226 -11.706 -3.036 3.172 1.00 1.12 C ATOM 0 H VAL A 226 -10.896 -0.647 3.217 1.00 0.50 H new ATOM 0 HA VAL A 226 -11.243 -1.827 0.739 1.00 0.48 H new ATOM 0 HB VAL A 226 -13.259 -1.576 3.009 1.00 0.64 H new ATOM 0 HG11 VAL A 226 -14.137 -3.722 2.198 1.00 1.12 H new ATOM 0 HG12 VAL A 226 -14.278 -2.440 0.972 1.00 1.12 H new ATOM 0 HG13 VAL A 226 -12.998 -3.668 0.832 1.00 1.12 H new ATOM 0 HG21 VAL A 226 -12.286 -3.703 3.810 1.00 1.12 H new ATOM 0 HG22 VAL A 226 -11.072 -3.626 2.510 1.00 1.12 H new ATOM 0 HG23 VAL A 226 -11.083 -2.392 3.793 1.00 1.12 H new