USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 664 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 190 SER OG : rot 25:sc= 0.233 USER MOD Single : A 194 THR OG1 : rot -45:sc= 1.39 USER MOD Single : A 202 GLN : amide:sc= 0.0839 K(o=0.084,f=-5.4!) USER MOD Single : A 207 GLN : amide:sc= -0.273 K(o=-0.27,f=-3.1!) USER MOD Single : A 210 LYS NZ :NH3+ 169:sc= -0.0177 (180deg=-0.18) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 216 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.0077) USER MOD Single : A 217 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0421) USER MOD Single : A 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 228 SER OG : rot -23:sc= 0.227 USER MOD Single : A 229 SER OG : rot 180:sc= 0 USER MOD Single : B 190 SER OG : rot 25:sc= 0.259 USER MOD Single : B 194 THR OG1 : rot -91:sc= 1.37 USER MOD Single : B 202 GLN : amide:sc= 0.18 K(o=0.18,f=-5.1!) USER MOD Single : B 207 GLN : amide:sc= -0.334 K(o=-0.33,f=-3.4!) USER MOD Single : B 210 LYS NZ :NH3+ 168:sc= -0.0247 (180deg=-0.183) USER MOD Single : B 212 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.0038) USER MOD Single : B 217 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0548) USER MOD Single : B 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 228 SER OG : rot -32:sc= 0.243 USER MOD Single : B 229 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 190 14.096 4.258 0.084 1.00 0.39 N ATOM 49 CA SER A 190 14.219 5.622 -0.419 1.00 0.43 C ATOM 50 C SER A 190 12.997 6.016 -1.241 1.00 0.37 C ATOM 51 O SER A 190 12.440 7.096 -1.061 1.00 0.39 O ATOM 52 CB SER A 190 15.484 5.752 -1.267 1.00 0.55 C ATOM 53 OG SER A 190 16.610 5.222 -0.586 1.00 1.24 O ATOM 0 HA SER A 190 14.285 6.296 0.435 1.00 0.43 H new ATOM 0 HB2 SER A 190 15.347 5.228 -2.213 1.00 0.55 H new ATOM 0 HB3 SER A 190 15.660 6.801 -1.506 1.00 0.55 H new ATOM 0 HG SER A 190 16.313 4.551 0.064 1.00 1.24 H new ATOM 59 N VAL A 191 12.571 5.124 -2.130 1.00 0.35 N ATOM 60 CA VAL A 191 11.408 5.386 -2.963 1.00 0.30 C ATOM 61 C VAL A 191 10.140 5.454 -2.119 1.00 0.25 C ATOM 62 O VAL A 191 9.265 6.269 -2.374 1.00 0.25 O ATOM 63 CB VAL A 191 11.245 4.325 -4.077 1.00 0.30 C ATOM 64 CG1 VAL A 191 11.126 2.927 -3.498 1.00 0.35 C ATOM 65 CG2 VAL A 191 10.039 4.643 -4.949 1.00 0.31 C ATOM 0 H VAL A 191 13.013 4.219 -2.290 1.00 0.35 H new ATOM 0 HA VAL A 191 11.570 6.352 -3.441 1.00 0.30 H new ATOM 0 HB VAL A 191 12.142 4.356 -4.696 1.00 0.30 H new ATOM 0 HG11 VAL A 191 11.013 2.206 -4.308 1.00 0.35 H new ATOM 0 HG12 VAL A 191 12.024 2.692 -2.926 1.00 0.35 H new ATOM 0 HG13 VAL A 191 10.256 2.877 -2.844 1.00 0.35 H new ATOM 0 HG21 VAL A 191 9.942 3.885 -5.726 1.00 0.31 H new ATOM 0 HG22 VAL A 191 9.138 4.651 -4.335 1.00 0.31 H new ATOM 0 HG23 VAL A 191 10.172 5.621 -5.411 1.00 0.31 H new ATOM 75 N VAL A 192 10.065 4.623 -1.089 1.00 0.24 N ATOM 76 CA VAL A 192 8.896 4.593 -0.221 1.00 0.21 C ATOM 77 C VAL A 192 8.823 5.873 0.599 1.00 0.20 C ATOM 78 O VAL A 192 7.769 6.255 1.097 1.00 0.20 O ATOM 79 CB VAL A 192 8.929 3.384 0.734 1.00 0.20 C ATOM 80 CG1 VAL A 192 7.608 3.242 1.474 1.00 0.17 C ATOM 81 CG2 VAL A 192 9.256 2.111 -0.022 1.00 0.23 C ATOM 0 H VAL A 192 10.798 3.962 -0.834 1.00 0.24 H new ATOM 0 HA VAL A 192 8.016 4.506 -0.859 1.00 0.21 H new ATOM 0 HB VAL A 192 9.714 3.557 1.470 1.00 0.20 H new ATOM 0 HG11 VAL A 192 7.656 2.382 2.142 1.00 0.17 H new ATOM 0 HG12 VAL A 192 7.418 4.144 2.056 1.00 0.17 H new ATOM 0 HG13 VAL A 192 6.802 3.099 0.755 1.00 0.17 H new ATOM 0 HG21 VAL A 192 9.274 1.270 0.672 1.00 0.23 H new ATOM 0 HG22 VAL A 192 8.497 1.936 -0.785 1.00 0.23 H new ATOM 0 HG23 VAL A 192 10.232 2.210 -0.497 1.00 0.23 H new ATOM 91 N ALA A 193 9.953 6.549 0.716 1.00 0.22 N ATOM 92 CA ALA A 193 10.032 7.776 1.480 1.00 0.22 C ATOM 93 C ALA A 193 9.713 8.992 0.617 1.00 0.22 C ATOM 94 O ALA A 193 9.926 10.129 1.039 1.00 0.24 O ATOM 95 CB ALA A 193 11.413 7.914 2.100 1.00 0.24 C ATOM 0 H ALA A 193 10.833 6.264 0.287 1.00 0.22 H new ATOM 0 HA ALA A 193 9.286 7.729 2.273 1.00 0.22 H new ATOM 0 HB1 ALA A 193 11.464 8.840 2.673 1.00 0.24 H new ATOM 0 HB2 ALA A 193 11.602 7.068 2.761 1.00 0.24 H new ATOM 0 HB3 ALA A 193 12.165 7.934 1.312 1.00 0.24 H new ATOM 101 N THR A 194 9.193 8.767 -0.583 1.00 0.22 N ATOM 102 CA THR A 194 8.945 9.866 -1.499 1.00 0.23 C ATOM 103 C THR A 194 7.459 10.160 -1.597 1.00 0.22 C ATOM 104 O THR A 194 6.623 9.306 -1.289 1.00 0.20 O ATOM 105 CB THR A 194 9.485 9.592 -2.918 1.00 0.24 C ATOM 106 OG1 THR A 194 8.767 8.511 -3.529 1.00 0.24 O ATOM 107 CG2 THR A 194 10.965 9.260 -2.880 1.00 0.26 C ATOM 0 H THR A 194 8.939 7.845 -0.939 1.00 0.22 H new ATOM 0 HA THR A 194 9.476 10.725 -1.089 1.00 0.23 H new ATOM 0 HB THR A 194 9.343 10.497 -3.509 1.00 0.24 H new ATOM 0 HG1 THR A 194 8.675 7.776 -2.888 1.00 0.24 H new ATOM 0 HG21 THR A 194 11.322 9.071 -3.893 1.00 0.26 H new ATOM 0 HG22 THR A 194 11.515 10.098 -2.452 1.00 0.26 H new ATOM 0 HG23 THR A 194 11.123 8.372 -2.268 1.00 0.26 H new ATOM 115 N GLU A 195 7.138 11.366 -2.024 1.00 0.26 N ATOM 116 CA GLU A 195 5.758 11.746 -2.256 1.00 0.26 C ATOM 117 C GLU A 195 5.193 10.936 -3.412 1.00 0.20 C ATOM 118 O GLU A 195 4.051 10.496 -3.378 1.00 0.19 O ATOM 119 CB GLU A 195 5.669 13.233 -2.575 1.00 0.36 C ATOM 120 CG GLU A 195 6.288 14.121 -1.511 1.00 0.83 C ATOM 121 CD GLU A 195 6.253 15.582 -1.895 1.00 1.69 C ATOM 122 OE1 GLU A 195 7.181 16.037 -2.600 1.00 2.46 O ATOM 123 OE2 GLU A 195 5.293 16.278 -1.504 1.00 2.22 O ATOM 0 H GLU A 195 7.817 12.102 -2.218 1.00 0.26 H new ATOM 0 HA GLU A 195 5.178 11.544 -1.356 1.00 0.26 H new ATOM 0 HB2 GLU A 195 6.164 13.422 -3.527 1.00 0.36 H new ATOM 0 HB3 GLU A 195 4.622 13.507 -2.701 1.00 0.36 H new ATOM 0 HG2 GLU A 195 5.756 13.982 -0.570 1.00 0.83 H new ATOM 0 HG3 GLU A 195 7.321 13.816 -1.342 1.00 0.83 H new ATOM 130 N ALA A 196 6.032 10.734 -4.423 1.00 0.21 N ATOM 131 CA ALA A 196 5.655 10.010 -5.631 1.00 0.21 C ATOM 132 C ALA A 196 5.177 8.594 -5.331 1.00 0.17 C ATOM 133 O ALA A 196 4.231 8.112 -5.955 1.00 0.17 O ATOM 134 CB ALA A 196 6.827 9.969 -6.594 1.00 0.26 C ATOM 0 H ALA A 196 6.995 11.069 -4.427 1.00 0.21 H new ATOM 0 HA ALA A 196 4.821 10.544 -6.085 1.00 0.21 H new ATOM 0 HB1 ALA A 196 6.539 9.427 -7.495 1.00 0.26 H new ATOM 0 HB2 ALA A 196 7.116 10.986 -6.859 1.00 0.26 H new ATOM 0 HB3 ALA A 196 7.669 9.465 -6.121 1.00 0.26 H new ATOM 140 N PHE A 197 5.818 7.932 -4.375 1.00 0.14 N ATOM 141 CA PHE A 197 5.443 6.566 -4.035 1.00 0.12 C ATOM 142 C PHE A 197 4.022 6.526 -3.500 1.00 0.11 C ATOM 143 O PHE A 197 3.198 5.752 -3.969 1.00 0.11 O ATOM 144 CB PHE A 197 6.399 5.974 -2.996 1.00 0.10 C ATOM 145 CG PHE A 197 5.962 4.634 -2.470 1.00 0.10 C ATOM 146 CD1 PHE A 197 6.246 3.474 -3.168 1.00 0.17 C ATOM 147 CD2 PHE A 197 5.257 4.538 -1.281 1.00 0.14 C ATOM 148 CE1 PHE A 197 5.835 2.245 -2.691 1.00 0.22 C ATOM 149 CE2 PHE A 197 4.845 3.311 -0.799 1.00 0.15 C ATOM 150 CZ PHE A 197 5.134 2.163 -1.505 1.00 0.17 C ATOM 0 H PHE A 197 6.590 8.313 -3.828 1.00 0.14 H new ATOM 0 HA PHE A 197 5.504 5.968 -4.944 1.00 0.12 H new ATOM 0 HB2 PHE A 197 7.389 5.875 -3.440 1.00 0.10 H new ATOM 0 HB3 PHE A 197 6.492 6.670 -2.162 1.00 0.10 H new ATOM 0 HD1 PHE A 197 6.795 3.530 -4.096 1.00 0.17 H new ATOM 0 HD2 PHE A 197 5.027 5.434 -0.724 1.00 0.14 H new ATOM 0 HE1 PHE A 197 6.062 1.347 -3.247 1.00 0.22 H new ATOM 0 HE2 PHE A 197 4.297 3.251 0.130 1.00 0.15 H new ATOM 0 HZ PHE A 197 4.813 1.202 -1.131 1.00 0.17 H new ATOM 160 N TRP A 198 3.751 7.374 -2.523 1.00 0.11 N ATOM 161 CA TRP A 198 2.445 7.418 -1.886 1.00 0.11 C ATOM 162 C TRP A 198 1.385 7.980 -2.824 1.00 0.12 C ATOM 163 O TRP A 198 0.212 7.627 -2.728 1.00 0.13 O ATOM 164 CB TRP A 198 2.526 8.206 -0.581 1.00 0.11 C ATOM 165 CG TRP A 198 3.431 7.534 0.403 1.00 0.11 C ATOM 166 CD1 TRP A 198 4.667 7.946 0.805 1.00 0.12 C ATOM 167 CD2 TRP A 198 3.181 6.296 1.075 1.00 0.12 C ATOM 168 NE1 TRP A 198 5.198 7.040 1.689 1.00 0.13 N ATOM 169 CE2 TRP A 198 4.304 6.020 1.873 1.00 0.13 C ATOM 170 CE3 TRP A 198 2.112 5.395 1.080 1.00 0.14 C ATOM 171 CZ2 TRP A 198 4.391 4.880 2.668 1.00 0.16 C ATOM 172 CZ3 TRP A 198 2.199 4.266 1.867 1.00 0.16 C ATOM 173 CH2 TRP A 198 3.332 4.016 2.652 1.00 0.17 C ATOM 0 H TRP A 198 4.422 8.046 -2.151 1.00 0.11 H new ATOM 0 HA TRP A 198 2.140 6.399 -1.648 1.00 0.11 H new ATOM 0 HB2 TRP A 198 2.889 9.213 -0.784 1.00 0.11 H new ATOM 0 HB3 TRP A 198 1.529 8.307 -0.152 1.00 0.11 H new ATOM 0 HD1 TRP A 198 5.156 8.851 0.477 1.00 0.12 H new ATOM 0 HE1 TRP A 198 6.111 7.115 2.137 1.00 0.13 H new ATOM 0 HE3 TRP A 198 1.234 5.580 0.479 1.00 0.14 H new ATOM 0 HZ2 TRP A 198 5.263 4.686 3.275 1.00 0.16 H new ATOM 0 HZ3 TRP A 198 1.380 3.562 1.878 1.00 0.16 H new ATOM 0 HH2 TRP A 198 3.369 3.122 3.257 1.00 0.17 H new ATOM 184 N ASP A 199 1.809 8.846 -3.731 1.00 0.13 N ATOM 185 CA ASP A 199 0.919 9.408 -4.740 1.00 0.16 C ATOM 186 C ASP A 199 0.407 8.312 -5.667 1.00 0.14 C ATOM 187 O ASP A 199 -0.798 8.156 -5.859 1.00 0.15 O ATOM 188 CB ASP A 199 1.653 10.481 -5.549 1.00 0.21 C ATOM 189 CG ASP A 199 0.838 11.004 -6.716 1.00 0.30 C ATOM 190 OD1 ASP A 199 -0.083 11.817 -6.491 1.00 1.01 O ATOM 191 OD2 ASP A 199 1.133 10.623 -7.869 1.00 1.23 O ATOM 0 H ASP A 199 2.772 9.178 -3.790 1.00 0.13 H new ATOM 0 HA ASP A 199 0.067 9.865 -4.237 1.00 0.16 H new ATOM 0 HB2 ASP A 199 1.910 11.311 -4.891 1.00 0.21 H new ATOM 0 HB3 ASP A 199 2.590 10.069 -5.923 1.00 0.21 H new ATOM 196 N ASP A 200 1.332 7.535 -6.215 1.00 0.16 N ATOM 197 CA ASP A 200 0.974 6.446 -7.115 1.00 0.18 C ATOM 198 C ASP A 200 0.322 5.299 -6.355 1.00 0.14 C ATOM 199 O ASP A 200 -0.522 4.589 -6.897 1.00 0.15 O ATOM 200 CB ASP A 200 2.193 5.948 -7.885 1.00 0.24 C ATOM 201 CG ASP A 200 2.605 6.888 -8.999 1.00 0.55 C ATOM 202 OD1 ASP A 200 1.801 7.105 -9.927 1.00 1.12 O ATOM 203 OD2 ASP A 200 3.740 7.406 -8.962 1.00 1.37 O ATOM 0 H ASP A 200 2.334 7.638 -6.053 1.00 0.16 H new ATOM 0 HA ASP A 200 0.251 6.836 -7.832 1.00 0.18 H new ATOM 0 HB2 ASP A 200 3.027 5.822 -7.195 1.00 0.24 H new ATOM 0 HB3 ASP A 200 1.976 4.966 -8.305 1.00 0.24 H new ATOM 208 N LEU A 201 0.742 5.105 -5.111 1.00 0.12 N ATOM 209 CA LEU A 201 0.138 4.109 -4.231 1.00 0.11 C ATOM 210 C LEU A 201 -1.348 4.417 -4.071 1.00 0.12 C ATOM 211 O LEU A 201 -2.200 3.537 -4.214 1.00 0.13 O ATOM 212 CB LEU A 201 0.862 4.132 -2.868 1.00 0.11 C ATOM 213 CG LEU A 201 0.656 2.927 -1.933 1.00 0.11 C ATOM 214 CD1 LEU A 201 -0.739 2.920 -1.330 1.00 0.18 C ATOM 215 CD2 LEU A 201 0.926 1.623 -2.667 1.00 0.13 C ATOM 0 H LEU A 201 1.506 5.629 -4.685 1.00 0.12 H new ATOM 0 HA LEU A 201 0.239 3.111 -4.658 1.00 0.11 H new ATOM 0 HB2 LEU A 201 1.931 4.232 -3.057 1.00 0.11 H new ATOM 0 HB3 LEU A 201 0.547 5.029 -2.335 1.00 0.11 H new ATOM 0 HG LEU A 201 1.371 3.020 -1.116 1.00 0.11 H new ATOM 0 HD11 LEU A 201 -0.848 2.055 -0.676 1.00 0.18 H new ATOM 0 HD12 LEU A 201 -0.891 3.833 -0.754 1.00 0.18 H new ATOM 0 HD13 LEU A 201 -1.480 2.867 -2.128 1.00 0.18 H new ATOM 0 HD21 LEU A 201 0.774 0.785 -1.987 1.00 0.13 H new ATOM 0 HD22 LEU A 201 0.243 1.533 -3.512 1.00 0.13 H new ATOM 0 HD23 LEU A 201 1.954 1.615 -3.029 1.00 0.13 H new ATOM 227 N GLN A 202 -1.653 5.683 -3.814 1.00 0.11 N ATOM 228 CA GLN A 202 -3.031 6.128 -3.709 1.00 0.12 C ATOM 229 C GLN A 202 -3.742 5.991 -5.049 1.00 0.12 C ATOM 230 O GLN A 202 -4.913 5.639 -5.096 1.00 0.13 O ATOM 231 CB GLN A 202 -3.095 7.570 -3.216 1.00 0.15 C ATOM 232 CG GLN A 202 -4.496 8.154 -3.241 1.00 0.21 C ATOM 233 CD GLN A 202 -4.561 9.543 -2.650 1.00 0.25 C ATOM 234 OE1 GLN A 202 -3.583 10.284 -2.662 1.00 0.71 O ATOM 235 NE2 GLN A 202 -5.721 9.910 -2.139 1.00 0.40 N ATOM 0 H GLN A 202 -0.961 6.419 -3.675 1.00 0.11 H new ATOM 0 HA GLN A 202 -3.540 5.494 -2.983 1.00 0.12 H new ATOM 0 HB2 GLN A 202 -2.708 7.616 -2.198 1.00 0.15 H new ATOM 0 HB3 GLN A 202 -2.441 8.186 -3.833 1.00 0.15 H new ATOM 0 HG2 GLN A 202 -4.854 8.185 -4.270 1.00 0.21 H new ATOM 0 HG3 GLN A 202 -5.169 7.497 -2.689 1.00 0.21 H new ATOM 0 HE21 GLN A 202 -6.510 9.264 -2.149 1.00 0.40 H new ATOM 0 HE22 GLN A 202 -5.829 10.840 -1.734 1.00 0.40 H new ATOM 244 N GLY A 203 -3.023 6.265 -6.133 1.00 0.14 N ATOM 245 CA GLY A 203 -3.581 6.091 -7.463 1.00 0.16 C ATOM 246 C GLY A 203 -4.006 4.657 -7.722 1.00 0.15 C ATOM 247 O GLY A 203 -5.053 4.404 -8.323 1.00 0.15 O ATOM 0 H GLY A 203 -2.062 6.605 -6.114 1.00 0.14 H new ATOM 0 HA2 GLY A 203 -4.440 6.751 -7.584 1.00 0.16 H new ATOM 0 HA3 GLY A 203 -2.843 6.390 -8.207 1.00 0.16 H new ATOM 251 N PHE A 204 -3.199 3.717 -7.245 1.00 0.15 N ATOM 252 CA PHE A 204 -3.505 2.300 -7.372 1.00 0.17 C ATOM 253 C PHE A 204 -4.740 1.977 -6.547 1.00 0.17 C ATOM 254 O PHE A 204 -5.619 1.219 -6.971 1.00 0.18 O ATOM 255 CB PHE A 204 -2.311 1.461 -6.902 1.00 0.20 C ATOM 256 CG PHE A 204 -2.598 -0.013 -6.820 1.00 0.22 C ATOM 257 CD1 PHE A 204 -2.544 -0.809 -7.951 1.00 1.24 C ATOM 258 CD2 PHE A 204 -2.925 -0.599 -5.608 1.00 1.19 C ATOM 259 CE1 PHE A 204 -2.814 -2.162 -7.872 1.00 1.26 C ATOM 260 CE2 PHE A 204 -3.195 -1.950 -5.524 1.00 1.20 C ATOM 261 CZ PHE A 204 -3.140 -2.731 -6.656 1.00 0.31 C ATOM 0 H PHE A 204 -2.322 3.914 -6.763 1.00 0.15 H new ATOM 0 HA PHE A 204 -3.702 2.061 -8.417 1.00 0.17 H new ATOM 0 HB2 PHE A 204 -1.476 1.621 -7.584 1.00 0.20 H new ATOM 0 HB3 PHE A 204 -1.994 1.815 -5.921 1.00 0.20 H new ATOM 0 HD1 PHE A 204 -2.289 -0.369 -8.904 1.00 1.24 H new ATOM 0 HD2 PHE A 204 -2.969 0.009 -4.717 1.00 1.19 H new ATOM 0 HE1 PHE A 204 -2.770 -2.774 -8.761 1.00 1.26 H new ATOM 0 HE2 PHE A 204 -3.449 -2.393 -4.572 1.00 1.20 H new ATOM 0 HZ PHE A 204 -3.352 -3.788 -6.594 1.00 0.31 H new ATOM 271 N LEU A 205 -4.803 2.581 -5.373 1.00 0.16 N ATOM 272 CA LEU A 205 -5.935 2.411 -4.480 1.00 0.17 C ATOM 273 C LEU A 205 -7.201 2.981 -5.109 1.00 0.17 C ATOM 274 O LEU A 205 -8.284 2.453 -4.914 1.00 0.19 O ATOM 275 CB LEU A 205 -5.653 3.082 -3.134 1.00 0.17 C ATOM 276 CG LEU A 205 -5.006 2.195 -2.060 1.00 0.17 C ATOM 277 CD1 LEU A 205 -3.923 1.304 -2.649 1.00 0.18 C ATOM 278 CD2 LEU A 205 -4.419 3.059 -0.960 1.00 0.15 C ATOM 0 H LEU A 205 -4.076 3.199 -5.014 1.00 0.16 H new ATOM 0 HA LEU A 205 -6.088 1.345 -4.310 1.00 0.17 H new ATOM 0 HB2 LEU A 205 -5.003 3.940 -3.308 1.00 0.17 H new ATOM 0 HB3 LEU A 205 -6.593 3.468 -2.740 1.00 0.17 H new ATOM 0 HG LEU A 205 -5.783 1.552 -1.646 1.00 0.17 H new ATOM 0 HD11 LEU A 205 -3.488 0.691 -1.860 1.00 0.18 H new ATOM 0 HD12 LEU A 205 -4.358 0.659 -3.412 1.00 0.18 H new ATOM 0 HD13 LEU A 205 -3.146 1.923 -3.097 1.00 0.18 H new ATOM 0 HD21 LEU A 205 -3.962 2.423 -0.202 1.00 0.15 H new ATOM 0 HD22 LEU A 205 -3.663 3.721 -1.382 1.00 0.15 H new ATOM 0 HD23 LEU A 205 -5.210 3.655 -0.504 1.00 0.15 H new ATOM 290 N GLU A 206 -7.061 4.054 -5.871 1.00 0.17 N ATOM 291 CA GLU A 206 -8.189 4.628 -6.588 1.00 0.19 C ATOM 292 C GLU A 206 -8.705 3.652 -7.634 1.00 0.21 C ATOM 293 O GLU A 206 -9.910 3.436 -7.752 1.00 0.24 O ATOM 294 CB GLU A 206 -7.792 5.939 -7.266 1.00 0.21 C ATOM 295 CG GLU A 206 -7.483 7.068 -6.301 1.00 0.23 C ATOM 296 CD GLU A 206 -7.124 8.347 -7.023 1.00 0.30 C ATOM 297 OE1 GLU A 206 -8.048 9.066 -7.455 1.00 1.12 O ATOM 298 OE2 GLU A 206 -5.921 8.633 -7.184 1.00 1.13 O ATOM 0 H GLU A 206 -6.178 4.545 -6.009 1.00 0.17 H new ATOM 0 HA GLU A 206 -8.978 4.831 -5.864 1.00 0.19 H new ATOM 0 HB2 GLU A 206 -6.918 5.761 -7.892 1.00 0.21 H new ATOM 0 HB3 GLU A 206 -8.600 6.252 -7.928 1.00 0.21 H new ATOM 0 HG2 GLU A 206 -8.347 7.244 -5.660 1.00 0.23 H new ATOM 0 HG3 GLU A 206 -6.658 6.774 -5.651 1.00 0.23 H new ATOM 305 N GLN A 207 -7.781 3.066 -8.388 1.00 0.22 N ATOM 306 CA GLN A 207 -8.125 2.111 -9.436 1.00 0.26 C ATOM 307 C GLN A 207 -8.890 0.911 -8.882 1.00 0.26 C ATOM 308 O GLN A 207 -9.914 0.506 -9.429 1.00 0.27 O ATOM 309 CB GLN A 207 -6.856 1.626 -10.139 1.00 0.34 C ATOM 310 CG GLN A 207 -6.071 2.733 -10.816 1.00 0.41 C ATOM 311 CD GLN A 207 -4.787 2.233 -11.447 1.00 0.54 C ATOM 312 OE1 GLN A 207 -3.733 2.209 -10.809 1.00 0.80 O ATOM 313 NE2 GLN A 207 -4.860 1.839 -12.707 1.00 1.13 N ATOM 0 H GLN A 207 -6.780 3.237 -8.292 1.00 0.22 H new ATOM 0 HA GLN A 207 -8.771 2.624 -10.148 1.00 0.26 H new ATOM 0 HB2 GLN A 207 -6.214 1.132 -9.410 1.00 0.34 H new ATOM 0 HB3 GLN A 207 -7.128 0.878 -10.884 1.00 0.34 H new ATOM 0 HG2 GLN A 207 -6.692 3.197 -11.582 1.00 0.41 H new ATOM 0 HG3 GLN A 207 -5.835 3.506 -10.085 1.00 0.41 H new ATOM 0 HE21 GLN A 207 -5.751 1.874 -13.201 1.00 1.13 H new ATOM 0 HE22 GLN A 207 -4.025 1.500 -13.185 1.00 1.13 H new ATOM 322 N ARG A 208 -8.383 0.343 -7.797 1.00 0.29 N ATOM 323 CA ARG A 208 -8.960 -0.876 -7.238 1.00 0.35 C ATOM 324 C ARG A 208 -10.195 -0.590 -6.386 1.00 0.36 C ATOM 325 O ARG A 208 -11.213 -1.274 -6.501 1.00 0.41 O ATOM 326 CB ARG A 208 -7.915 -1.606 -6.396 1.00 0.40 C ATOM 327 CG ARG A 208 -6.676 -2.004 -7.179 1.00 0.71 C ATOM 328 CD ARG A 208 -6.983 -3.073 -8.215 1.00 0.48 C ATOM 329 NE ARG A 208 -5.849 -3.305 -9.105 1.00 1.25 N ATOM 330 CZ ARG A 208 -5.253 -4.482 -9.276 1.00 1.28 C ATOM 331 NH1 ARG A 208 -5.661 -5.553 -8.602 1.00 1.59 N ATOM 332 NH2 ARG A 208 -4.236 -4.584 -10.124 1.00 1.97 N ATOM 0 H ARG A 208 -7.577 0.703 -7.286 1.00 0.29 H new ATOM 0 HA ARG A 208 -9.272 -1.503 -8.074 1.00 0.35 H new ATOM 0 HB2 ARG A 208 -7.619 -0.967 -5.564 1.00 0.40 H new ATOM 0 HB3 ARG A 208 -8.366 -2.500 -5.966 1.00 0.40 H new ATOM 0 HG2 ARG A 208 -6.261 -1.126 -7.674 1.00 0.71 H new ATOM 0 HG3 ARG A 208 -5.914 -2.372 -6.492 1.00 0.71 H new ATOM 0 HD2 ARG A 208 -7.246 -4.003 -7.711 1.00 0.48 H new ATOM 0 HD3 ARG A 208 -7.851 -2.772 -8.802 1.00 0.48 H new ATOM 0 HE ARG A 208 -5.489 -2.510 -9.632 1.00 1.25 H new ATOM 0 HH11 ARG A 208 -6.438 -5.477 -7.946 1.00 1.59 H new ATOM 0 HH12 ARG A 208 -5.197 -6.450 -8.741 1.00 1.59 H new ATOM 0 HH21 ARG A 208 -3.917 -3.763 -10.639 1.00 1.97 H new ATOM 0 HH22 ARG A 208 -3.774 -5.483 -10.260 1.00 1.97 H new ATOM 346 N LEU A 209 -10.096 0.416 -5.531 1.00 0.33 N ATOM 347 CA LEU A 209 -11.131 0.693 -4.541 1.00 0.36 C ATOM 348 C LEU A 209 -12.282 1.488 -5.129 1.00 0.39 C ATOM 349 O LEU A 209 -13.398 1.442 -4.610 1.00 0.45 O ATOM 350 CB LEU A 209 -10.550 1.463 -3.352 1.00 0.32 C ATOM 351 CG LEU A 209 -9.739 0.645 -2.338 1.00 0.33 C ATOM 352 CD1 LEU A 209 -8.619 -0.133 -3.005 1.00 0.33 C ATOM 353 CD2 LEU A 209 -9.169 1.561 -1.274 1.00 0.38 C ATOM 0 H LEU A 209 -9.305 1.059 -5.501 1.00 0.33 H new ATOM 0 HA LEU A 209 -11.512 -0.272 -4.207 1.00 0.36 H new ATOM 0 HB2 LEU A 209 -9.911 2.257 -3.739 1.00 0.32 H new ATOM 0 HB3 LEU A 209 -11.372 1.945 -2.823 1.00 0.32 H new ATOM 0 HG LEU A 209 -10.415 -0.076 -1.879 1.00 0.33 H new ATOM 0 HD11 LEU A 209 -8.070 -0.698 -2.252 1.00 0.33 H new ATOM 0 HD12 LEU A 209 -9.040 -0.820 -3.739 1.00 0.33 H new ATOM 0 HD13 LEU A 209 -7.942 0.560 -3.504 1.00 0.33 H new ATOM 0 HD21 LEU A 209 -8.595 0.973 -0.558 1.00 0.38 H new ATOM 0 HD22 LEU A 209 -8.519 2.301 -1.741 1.00 0.38 H new ATOM 0 HD23 LEU A 209 -9.983 2.069 -0.757 1.00 0.38 H new ATOM 365 N LYS A 210 -11.997 2.198 -6.219 1.00 0.35 N ATOM 366 CA LYS A 210 -12.968 3.073 -6.860 1.00 0.40 C ATOM 367 C LYS A 210 -13.489 4.105 -5.869 1.00 0.38 C ATOM 368 O LYS A 210 -14.665 4.472 -5.889 1.00 0.41 O ATOM 369 CB LYS A 210 -14.120 2.259 -7.455 1.00 0.49 C ATOM 370 CG LYS A 210 -13.693 1.357 -8.601 1.00 0.91 C ATOM 371 CD LYS A 210 -13.194 2.167 -9.787 1.00 1.06 C ATOM 372 CE LYS A 210 -12.709 1.272 -10.914 1.00 1.62 C ATOM 373 NZ LYS A 210 -13.773 0.355 -11.399 1.00 2.19 N ATOM 0 H LYS A 210 -11.087 2.181 -6.680 1.00 0.35 H new ATOM 0 HA LYS A 210 -12.472 3.601 -7.675 1.00 0.40 H new ATOM 0 HB2 LYS A 210 -14.568 1.649 -6.670 1.00 0.49 H new ATOM 0 HB3 LYS A 210 -14.893 2.942 -7.808 1.00 0.49 H new ATOM 0 HG2 LYS A 210 -12.906 0.683 -8.262 1.00 0.91 H new ATOM 0 HG3 LYS A 210 -14.534 0.736 -8.910 1.00 0.91 H new ATOM 0 HD2 LYS A 210 -13.995 2.810 -10.152 1.00 1.06 H new ATOM 0 HD3 LYS A 210 -12.383 2.820 -9.466 1.00 1.06 H new ATOM 0 HE2 LYS A 210 -12.359 1.889 -11.741 1.00 1.62 H new ATOM 0 HE3 LYS A 210 -11.856 0.687 -10.570 1.00 1.62 H new ATOM 0 HZ1 LYS A 210 -13.463 -0.101 -12.281 1.00 2.19 H new ATOM 0 HZ2 LYS A 210 -13.959 -0.372 -10.679 1.00 2.19 H new ATOM 0 HZ3 LYS A 210 -14.643 0.896 -11.577 1.00 2.19 H new ATOM 387 N ASP A 211 -12.594 4.575 -5.007 1.00 0.34 N ATOM 388 CA ASP A 211 -12.952 5.521 -3.967 1.00 0.34 C ATOM 389 C ASP A 211 -11.721 6.303 -3.536 1.00 0.31 C ATOM 390 O ASP A 211 -10.810 5.754 -2.920 1.00 0.31 O ATOM 391 CB ASP A 211 -13.550 4.794 -2.764 1.00 0.37 C ATOM 392 CG ASP A 211 -14.179 5.749 -1.773 1.00 0.40 C ATOM 393 OD1 ASP A 211 -15.372 6.076 -1.937 1.00 1.06 O ATOM 394 OD2 ASP A 211 -13.490 6.176 -0.828 1.00 1.12 O ATOM 0 H ASP A 211 -11.609 4.311 -5.012 1.00 0.34 H new ATOM 0 HA ASP A 211 -13.698 6.210 -4.364 1.00 0.34 H new ATOM 0 HB2 ASP A 211 -14.301 4.083 -3.108 1.00 0.37 H new ATOM 0 HB3 ASP A 211 -12.770 4.218 -2.266 1.00 0.37 H new ATOM 399 N TYR A 212 -11.696 7.583 -3.875 1.00 0.30 N ATOM 400 CA TYR A 212 -10.554 8.436 -3.573 1.00 0.29 C ATOM 401 C TYR A 212 -10.414 8.660 -2.070 1.00 0.30 C ATOM 402 O TYR A 212 -9.301 8.766 -1.554 1.00 0.29 O ATOM 403 CB TYR A 212 -10.680 9.781 -4.298 1.00 0.32 C ATOM 404 CG TYR A 212 -9.565 10.751 -3.973 1.00 0.37 C ATOM 405 CD1 TYR A 212 -8.347 10.685 -4.635 1.00 1.35 C ATOM 406 CD2 TYR A 212 -9.727 11.722 -2.993 1.00 1.12 C ATOM 407 CE1 TYR A 212 -7.321 11.558 -4.329 1.00 1.42 C ATOM 408 CE2 TYR A 212 -8.709 12.600 -2.684 1.00 1.14 C ATOM 409 CZ TYR A 212 -7.508 12.513 -3.353 1.00 0.60 C ATOM 410 OH TYR A 212 -6.486 13.380 -3.034 1.00 0.74 O ATOM 0 H TYR A 212 -12.457 8.057 -4.362 1.00 0.30 H new ATOM 0 HA TYR A 212 -9.657 7.928 -3.926 1.00 0.29 H new ATOM 0 HB2 TYR A 212 -10.695 9.605 -5.374 1.00 0.32 H new ATOM 0 HB3 TYR A 212 -11.635 10.237 -4.037 1.00 0.32 H new ATOM 0 HD1 TYR A 212 -8.199 9.939 -5.402 1.00 1.35 H new ATOM 0 HD2 TYR A 212 -10.666 11.791 -2.464 1.00 1.12 H new ATOM 0 HE1 TYR A 212 -6.378 11.493 -4.851 1.00 1.42 H new ATOM 0 HE2 TYR A 212 -8.853 13.351 -1.922 1.00 1.14 H new ATOM 0 HH TYR A 212 -6.783 13.990 -2.327 1.00 0.74 H new ATOM 420 N ASP A 213 -11.541 8.724 -1.376 1.00 0.34 N ATOM 421 CA ASP A 213 -11.542 9.012 0.054 1.00 0.37 C ATOM 422 C ASP A 213 -10.865 7.898 0.842 1.00 0.32 C ATOM 423 O ASP A 213 -9.957 8.152 1.637 1.00 0.29 O ATOM 424 CB ASP A 213 -12.972 9.214 0.554 1.00 0.49 C ATOM 425 CG ASP A 213 -13.035 9.456 2.048 1.00 1.15 C ATOM 426 OD1 ASP A 213 -12.618 10.546 2.496 1.00 1.63 O ATOM 427 OD2 ASP A 213 -13.505 8.562 2.781 1.00 2.01 O ATOM 0 H ASP A 213 -12.467 8.581 -1.778 1.00 0.34 H new ATOM 0 HA ASP A 213 -10.976 9.931 0.211 1.00 0.37 H new ATOM 0 HB2 ASP A 213 -13.420 10.060 0.033 1.00 0.49 H new ATOM 0 HB3 ASP A 213 -13.568 8.336 0.306 1.00 0.49 H new ATOM 432 N GLU A 214 -11.279 6.663 0.598 1.00 0.34 N ATOM 433 CA GLU A 214 -10.698 5.519 1.282 1.00 0.34 C ATOM 434 C GLU A 214 -9.278 5.281 0.786 1.00 0.25 C ATOM 435 O GLU A 214 -8.428 4.780 1.518 1.00 0.25 O ATOM 436 CB GLU A 214 -11.551 4.269 1.070 1.00 0.43 C ATOM 437 CG GLU A 214 -11.176 3.113 1.984 1.00 0.56 C ATOM 438 CD GLU A 214 -11.408 3.422 3.453 1.00 0.74 C ATOM 439 OE1 GLU A 214 -12.582 3.418 3.885 1.00 1.24 O ATOM 440 OE2 GLU A 214 -10.422 3.652 4.186 1.00 1.48 O ATOM 0 H GLU A 214 -12.015 6.429 -0.068 1.00 0.34 H new ATOM 0 HA GLU A 214 -10.669 5.733 2.350 1.00 0.34 H new ATOM 0 HB2 GLU A 214 -12.599 4.523 1.231 1.00 0.43 H new ATOM 0 HB3 GLU A 214 -11.457 3.947 0.033 1.00 0.43 H new ATOM 0 HG2 GLU A 214 -11.757 2.234 1.707 1.00 0.56 H new ATOM 0 HG3 GLU A 214 -10.126 2.862 1.832 1.00 0.56 H new ATOM 447 N ALA A 215 -9.018 5.673 -0.456 1.00 0.20 N ATOM 448 CA ALA A 215 -7.686 5.540 -1.024 1.00 0.17 C ATOM 449 C ALA A 215 -6.726 6.463 -0.290 1.00 0.15 C ATOM 450 O ALA A 215 -5.568 6.124 -0.046 1.00 0.15 O ATOM 451 CB ALA A 215 -7.704 5.865 -2.510 1.00 0.16 C ATOM 0 H ALA A 215 -9.709 6.083 -1.084 1.00 0.20 H new ATOM 0 HA ALA A 215 -7.351 4.509 -0.907 1.00 0.17 H new ATOM 0 HB1 ALA A 215 -6.699 5.760 -2.918 1.00 0.16 H new ATOM 0 HB2 ALA A 215 -8.377 5.179 -3.024 1.00 0.16 H new ATOM 0 HB3 ALA A 215 -8.049 6.889 -2.654 1.00 0.16 H new ATOM 457 N ASN A 216 -7.231 7.634 0.070 1.00 0.17 N ATOM 458 CA ASN A 216 -6.460 8.615 0.816 1.00 0.18 C ATOM 459 C ASN A 216 -6.232 8.129 2.239 1.00 0.18 C ATOM 460 O ASN A 216 -5.112 8.172 2.748 1.00 0.18 O ATOM 461 CB ASN A 216 -7.193 9.959 0.829 1.00 0.22 C ATOM 462 CG ASN A 216 -6.369 11.081 1.437 1.00 0.33 C ATOM 463 OD1 ASN A 216 -6.909 12.004 2.043 1.00 0.63 O ATOM 464 ND2 ASN A 216 -5.058 11.020 1.274 1.00 0.35 N ATOM 0 H ASN A 216 -8.183 7.929 -0.146 1.00 0.17 H new ATOM 0 HA ASN A 216 -5.493 8.746 0.331 1.00 0.18 H new ATOM 0 HB2 ASN A 216 -7.465 10.228 -0.192 1.00 0.22 H new ATOM 0 HB3 ASN A 216 -8.122 9.854 1.389 1.00 0.22 H new ATOM 0 HD21 ASN A 216 -4.462 11.754 1.657 1.00 0.35 H new ATOM 0 HD22 ASN A 216 -4.643 10.239 0.765 1.00 0.35 H new ATOM 471 N LYS A 217 -7.300 7.647 2.861 1.00 0.19 N ATOM 472 CA LYS A 217 -7.237 7.125 4.220 1.00 0.19 C ATOM 473 C LYS A 217 -6.239 5.981 4.321 1.00 0.17 C ATOM 474 O LYS A 217 -5.492 5.883 5.292 1.00 0.18 O ATOM 475 CB LYS A 217 -8.616 6.646 4.664 1.00 0.22 C ATOM 476 CG LYS A 217 -9.622 7.767 4.859 1.00 0.27 C ATOM 477 CD LYS A 217 -11.033 7.228 5.049 1.00 0.37 C ATOM 478 CE LYS A 217 -11.128 6.285 6.237 1.00 1.17 C ATOM 479 NZ LYS A 217 -10.811 6.964 7.521 1.00 1.99 N ATOM 0 H LYS A 217 -8.229 7.607 2.441 1.00 0.19 H new ATOM 0 HA LYS A 217 -6.906 7.931 4.875 1.00 0.19 H new ATOM 0 HB2 LYS A 217 -9.004 5.948 3.922 1.00 0.22 H new ATOM 0 HB3 LYS A 217 -8.515 6.095 5.599 1.00 0.22 H new ATOM 0 HG2 LYS A 217 -9.340 8.363 5.727 1.00 0.27 H new ATOM 0 HG3 LYS A 217 -9.599 8.431 3.995 1.00 0.27 H new ATOM 0 HD2 LYS A 217 -11.723 8.060 5.191 1.00 0.37 H new ATOM 0 HD3 LYS A 217 -11.346 6.705 4.145 1.00 0.37 H new ATOM 0 HE2 LYS A 217 -12.134 5.868 6.288 1.00 1.17 H new ATOM 0 HE3 LYS A 217 -10.443 5.450 6.091 1.00 1.17 H new ATOM 0 HZ1 LYS A 217 -11.003 6.317 8.312 1.00 1.99 H new ATOM 0 HZ2 LYS A 217 -9.807 7.236 7.531 1.00 1.99 H new ATOM 0 HZ3 LYS A 217 -11.401 7.815 7.619 1.00 1.99 H new ATOM 493 N LEU A 218 -6.218 5.132 3.304 1.00 0.16 N ATOM 494 CA LEU A 218 -5.299 4.007 3.282 1.00 0.15 C ATOM 495 C LEU A 218 -3.882 4.478 3.002 1.00 0.13 C ATOM 496 O LEU A 218 -2.932 3.933 3.536 1.00 0.14 O ATOM 497 CB LEU A 218 -5.724 2.960 2.262 1.00 0.16 C ATOM 498 CG LEU A 218 -6.913 2.094 2.670 1.00 0.17 C ATOM 499 CD1 LEU A 218 -7.201 1.071 1.590 1.00 0.20 C ATOM 500 CD2 LEU A 218 -6.648 1.403 4.000 1.00 0.20 C ATOM 0 H LEU A 218 -6.825 5.201 2.487 1.00 0.16 H new ATOM 0 HA LEU A 218 -5.324 3.541 4.267 1.00 0.15 H new ATOM 0 HB2 LEU A 218 -5.968 3.465 1.328 1.00 0.16 H new ATOM 0 HB3 LEU A 218 -4.874 2.308 2.059 1.00 0.16 H new ATOM 0 HG LEU A 218 -7.785 2.736 2.791 1.00 0.17 H new ATOM 0 HD11 LEU A 218 -8.051 0.457 1.888 1.00 0.20 H new ATOM 0 HD12 LEU A 218 -7.433 1.583 0.656 1.00 0.20 H new ATOM 0 HD13 LEU A 218 -6.326 0.436 1.448 1.00 0.20 H new ATOM 0 HD21 LEU A 218 -7.509 0.792 4.270 1.00 0.20 H new ATOM 0 HD22 LEU A 218 -5.766 0.769 3.911 1.00 0.20 H new ATOM 0 HD23 LEU A 218 -6.479 2.153 4.772 1.00 0.20 H new ATOM 512 N ARG A 219 -3.749 5.489 2.152 1.00 0.13 N ATOM 513 CA ARG A 219 -2.444 6.071 1.853 1.00 0.13 C ATOM 514 C ARG A 219 -1.786 6.567 3.139 1.00 0.12 C ATOM 515 O ARG A 219 -0.604 6.324 3.385 1.00 0.12 O ATOM 516 CB ARG A 219 -2.591 7.233 0.867 1.00 0.13 C ATOM 517 CG ARG A 219 -1.269 7.731 0.308 1.00 0.19 C ATOM 518 CD ARG A 219 -1.412 9.116 -0.305 1.00 0.17 C ATOM 519 NE ARG A 219 -1.536 10.153 0.720 1.00 0.54 N ATOM 520 CZ ARG A 219 -1.941 11.401 0.485 1.00 0.79 C ATOM 521 NH1 ARG A 219 -2.320 11.773 -0.732 1.00 0.61 N ATOM 522 NH2 ARG A 219 -1.979 12.279 1.478 1.00 1.29 N ATOM 0 H ARG A 219 -4.528 5.924 1.657 1.00 0.13 H new ATOM 0 HA ARG A 219 -1.817 5.303 1.401 1.00 0.13 H new ATOM 0 HB2 ARG A 219 -3.229 6.919 0.041 1.00 0.13 H new ATOM 0 HB3 ARG A 219 -3.099 8.059 1.365 1.00 0.13 H new ATOM 0 HG2 ARG A 219 -0.523 7.758 1.103 1.00 0.19 H new ATOM 0 HG3 ARG A 219 -0.905 7.033 -0.446 1.00 0.19 H new ATOM 0 HD2 ARG A 219 -0.546 9.327 -0.933 1.00 0.17 H new ATOM 0 HD3 ARG A 219 -2.288 9.138 -0.953 1.00 0.17 H new ATOM 0 HE ARG A 219 -1.296 9.904 1.680 1.00 0.54 H new ATOM 0 HH11 ARG A 219 -2.303 11.101 -1.499 1.00 0.61 H new ATOM 0 HH12 ARG A 219 -2.628 12.731 -0.900 1.00 0.61 H new ATOM 0 HH21 ARG A 219 -1.699 11.998 2.418 1.00 1.29 H new ATOM 0 HH22 ARG A 219 -2.288 13.235 1.302 1.00 1.29 H new ATOM 536 N VAL A 220 -2.585 7.227 3.970 1.00 0.13 N ATOM 537 CA VAL A 220 -2.097 7.784 5.224 1.00 0.14 C ATOM 538 C VAL A 220 -1.807 6.660 6.208 1.00 0.14 C ATOM 539 O VAL A 220 -0.731 6.586 6.789 1.00 0.15 O ATOM 540 CB VAL A 220 -3.119 8.756 5.851 1.00 0.16 C ATOM 541 CG1 VAL A 220 -2.582 9.342 7.149 1.00 0.19 C ATOM 542 CG2 VAL A 220 -3.485 9.863 4.874 1.00 0.16 C ATOM 0 H VAL A 220 -3.577 7.389 3.796 1.00 0.13 H new ATOM 0 HA VAL A 220 -1.185 8.340 5.007 1.00 0.14 H new ATOM 0 HB VAL A 220 -4.023 8.192 6.080 1.00 0.16 H new ATOM 0 HG11 VAL A 220 -3.319 10.024 7.573 1.00 0.19 H new ATOM 0 HG12 VAL A 220 -2.383 8.537 7.857 1.00 0.19 H new ATOM 0 HG13 VAL A 220 -1.658 9.885 6.948 1.00 0.19 H new ATOM 0 HG21 VAL A 220 -4.206 10.535 5.339 1.00 0.16 H new ATOM 0 HG22 VAL A 220 -2.589 10.422 4.606 1.00 0.16 H new ATOM 0 HG23 VAL A 220 -3.922 9.426 3.976 1.00 0.16 H new ATOM 552 N LEU A 221 -2.780 5.774 6.343 1.00 0.13 N ATOM 553 CA LEU A 221 -2.705 4.654 7.269 1.00 0.13 C ATOM 554 C LEU A 221 -1.479 3.791 6.985 1.00 0.11 C ATOM 555 O LEU A 221 -0.709 3.457 7.889 1.00 0.12 O ATOM 556 CB LEU A 221 -3.981 3.820 7.153 1.00 0.15 C ATOM 557 CG LEU A 221 -4.041 2.560 8.012 1.00 0.16 C ATOM 558 CD1 LEU A 221 -3.870 2.899 9.486 1.00 0.20 C ATOM 559 CD2 LEU A 221 -5.357 1.838 7.780 1.00 0.26 C ATOM 0 H LEU A 221 -3.649 5.811 5.811 1.00 0.13 H new ATOM 0 HA LEU A 221 -2.611 5.040 8.284 1.00 0.13 H new ATOM 0 HB2 LEU A 221 -4.829 4.453 7.413 1.00 0.15 H new ATOM 0 HB3 LEU A 221 -4.108 3.530 6.110 1.00 0.15 H new ATOM 0 HG LEU A 221 -3.221 1.903 7.722 1.00 0.16 H new ATOM 0 HD11 LEU A 221 -3.916 1.985 10.077 1.00 0.20 H new ATOM 0 HD12 LEU A 221 -2.905 3.381 9.639 1.00 0.20 H new ATOM 0 HD13 LEU A 221 -4.666 3.574 9.799 1.00 0.20 H new ATOM 0 HD21 LEU A 221 -5.393 0.940 8.396 1.00 0.26 H new ATOM 0 HD22 LEU A 221 -6.185 2.495 8.048 1.00 0.26 H new ATOM 0 HD23 LEU A 221 -5.439 1.560 6.729 1.00 0.26 H new ATOM 571 N PHE A 222 -1.298 3.455 5.720 1.00 0.10 N ATOM 572 CA PHE A 222 -0.171 2.645 5.295 1.00 0.10 C ATOM 573 C PHE A 222 1.132 3.393 5.516 1.00 0.10 C ATOM 574 O PHE A 222 2.135 2.798 5.899 1.00 0.11 O ATOM 575 CB PHE A 222 -0.299 2.255 3.821 1.00 0.10 C ATOM 576 CG PHE A 222 -1.455 1.338 3.510 1.00 0.10 C ATOM 577 CD1 PHE A 222 -2.237 0.799 4.520 1.00 1.23 C ATOM 578 CD2 PHE A 222 -1.752 1.013 2.195 1.00 1.16 C ATOM 579 CE1 PHE A 222 -3.290 -0.043 4.225 1.00 1.25 C ATOM 580 CE2 PHE A 222 -2.805 0.171 1.894 1.00 1.15 C ATOM 581 CZ PHE A 222 -3.575 -0.357 2.911 1.00 0.12 C ATOM 0 H PHE A 222 -1.923 3.734 4.964 1.00 0.10 H new ATOM 0 HA PHE A 222 -0.169 1.735 5.895 1.00 0.10 H new ATOM 0 HB2 PHE A 222 -0.403 3.163 3.227 1.00 0.10 H new ATOM 0 HB3 PHE A 222 0.626 1.772 3.505 1.00 0.10 H new ATOM 0 HD1 PHE A 222 -2.020 1.041 5.550 1.00 1.23 H new ATOM 0 HD2 PHE A 222 -1.152 1.423 1.396 1.00 1.16 H new ATOM 0 HE1 PHE A 222 -3.891 -0.456 5.022 1.00 1.25 H new ATOM 0 HE2 PHE A 222 -3.025 -0.074 0.865 1.00 1.15 H new ATOM 0 HZ PHE A 222 -4.399 -1.015 2.679 1.00 0.12 H new ATOM 591 N LYS A 223 1.114 4.702 5.285 1.00 0.10 N ATOM 592 CA LYS A 223 2.303 5.512 5.494 1.00 0.11 C ATOM 593 C LYS A 223 2.671 5.558 6.971 1.00 0.12 C ATOM 594 O LYS A 223 3.849 5.584 7.322 1.00 0.14 O ATOM 595 CB LYS A 223 2.117 6.931 4.960 1.00 0.12 C ATOM 596 CG LYS A 223 3.399 7.742 4.993 1.00 0.13 C ATOM 597 CD LYS A 223 3.200 9.146 4.454 1.00 0.20 C ATOM 598 CE LYS A 223 4.514 9.902 4.407 1.00 0.25 C ATOM 599 NZ LYS A 223 4.330 11.316 3.989 1.00 0.36 N ATOM 0 H LYS A 223 0.297 5.218 4.957 1.00 0.10 H new ATOM 0 HA LYS A 223 3.116 5.044 4.939 1.00 0.11 H new ATOM 0 HB2 LYS A 223 1.748 6.884 3.935 1.00 0.12 H new ATOM 0 HB3 LYS A 223 1.355 7.440 5.550 1.00 0.12 H new ATOM 0 HG2 LYS A 223 3.767 7.796 6.018 1.00 0.13 H new ATOM 0 HG3 LYS A 223 4.164 7.234 4.406 1.00 0.13 H new ATOM 0 HD2 LYS A 223 2.768 9.098 3.454 1.00 0.20 H new ATOM 0 HD3 LYS A 223 2.490 9.683 5.082 1.00 0.20 H new ATOM 0 HE2 LYS A 223 4.984 9.873 5.390 1.00 0.25 H new ATOM 0 HE3 LYS A 223 5.193 9.405 3.714 1.00 0.25 H new ATOM 0 HZ1 LYS A 223 5.253 11.795 3.970 1.00 0.36 H new ATOM 0 HZ2 LYS A 223 3.906 11.345 3.040 1.00 0.36 H new ATOM 0 HZ3 LYS A 223 3.703 11.799 4.664 1.00 0.36 H new ATOM 613 N GLU A 224 1.667 5.532 7.838 1.00 0.12 N ATOM 614 CA GLU A 224 1.905 5.562 9.273 1.00 0.13 C ATOM 615 C GLU A 224 2.445 4.217 9.726 1.00 0.13 C ATOM 616 O GLU A 224 3.260 4.134 10.647 1.00 0.15 O ATOM 617 CB GLU A 224 0.620 5.887 10.034 1.00 0.16 C ATOM 618 CG GLU A 224 0.006 7.223 9.658 1.00 0.24 C ATOM 619 CD GLU A 224 -1.170 7.586 10.538 1.00 1.36 C ATOM 620 OE1 GLU A 224 -0.942 8.139 11.635 1.00 1.92 O ATOM 621 OE2 GLU A 224 -2.323 7.314 10.151 1.00 2.28 O ATOM 0 H GLU A 224 0.683 5.490 7.572 1.00 0.12 H new ATOM 0 HA GLU A 224 2.635 6.343 9.487 1.00 0.13 H new ATOM 0 HB2 GLU A 224 -0.109 5.098 9.850 1.00 0.16 H new ATOM 0 HB3 GLU A 224 0.831 5.883 11.103 1.00 0.16 H new ATOM 0 HG2 GLU A 224 0.765 8.002 9.731 1.00 0.24 H new ATOM 0 HG3 GLU A 224 -0.318 7.191 8.618 1.00 0.24 H new ATOM 628 N ALA A 225 1.995 3.168 9.052 1.00 0.13 N ATOM 629 CA ALA A 225 2.468 1.823 9.325 1.00 0.15 C ATOM 630 C ALA A 225 3.924 1.697 8.904 1.00 0.15 C ATOM 631 O ALA A 225 4.747 1.133 9.621 1.00 0.16 O ATOM 632 CB ALA A 225 1.609 0.802 8.597 1.00 0.15 C ATOM 0 H ALA A 225 1.299 3.226 8.309 1.00 0.13 H new ATOM 0 HA ALA A 225 2.393 1.628 10.395 1.00 0.15 H new ATOM 0 HB1 ALA A 225 1.976 -0.202 8.812 1.00 0.15 H new ATOM 0 HB2 ALA A 225 0.576 0.890 8.933 1.00 0.15 H new ATOM 0 HB3 ALA A 225 1.658 0.984 7.524 1.00 0.15 H new ATOM 638 N TRP A 226 4.230 2.267 7.747 1.00 0.15 N ATOM 639 CA TRP A 226 5.586 2.295 7.223 1.00 0.16 C ATOM 640 C TRP A 226 6.490 3.102 8.149 1.00 0.17 C ATOM 641 O TRP A 226 7.640 2.737 8.385 1.00 0.18 O ATOM 642 CB TRP A 226 5.588 2.892 5.811 1.00 0.16 C ATOM 643 CG TRP A 226 6.955 3.226 5.303 1.00 0.16 C ATOM 644 CD1 TRP A 226 7.932 2.351 4.927 1.00 0.17 C ATOM 645 CD2 TRP A 226 7.496 4.537 5.119 1.00 0.16 C ATOM 646 NE1 TRP A 226 9.048 3.039 4.521 1.00 0.17 N ATOM 647 CE2 TRP A 226 8.804 4.383 4.630 1.00 0.17 C ATOM 648 CE3 TRP A 226 6.997 5.827 5.322 1.00 0.17 C ATOM 649 CZ2 TRP A 226 9.621 5.472 4.342 1.00 0.18 C ATOM 650 CZ3 TRP A 226 7.808 6.906 5.035 1.00 0.18 C ATOM 651 CH2 TRP A 226 9.108 6.723 4.550 1.00 0.19 C ATOM 0 H TRP A 226 3.544 2.723 7.146 1.00 0.15 H new ATOM 0 HA TRP A 226 5.970 1.276 7.170 1.00 0.16 H new ATOM 0 HB2 TRP A 226 5.118 2.186 5.127 1.00 0.16 H new ATOM 0 HB3 TRP A 226 4.977 3.795 5.807 1.00 0.16 H new ATOM 0 HD1 TRP A 226 7.841 1.275 4.946 1.00 0.17 H new ATOM 0 HE1 TRP A 226 9.917 2.619 4.192 1.00 0.17 H new ATOM 0 HE3 TRP A 226 5.995 5.976 5.697 1.00 0.17 H new ATOM 0 HZ2 TRP A 226 10.625 5.334 3.968 1.00 0.18 H new ATOM 0 HZ3 TRP A 226 7.434 7.908 5.187 1.00 0.18 H new ATOM 0 HH2 TRP A 226 9.719 7.587 4.335 1.00 0.19 H new ATOM 662 N ARG A 227 5.961 4.194 8.681 1.00 0.18 N ATOM 663 CA ARG A 227 6.701 5.006 9.631 1.00 0.21 C ATOM 664 C ARG A 227 6.982 4.213 10.899 1.00 0.24 C ATOM 665 O ARG A 227 8.034 4.368 11.515 1.00 0.25 O ATOM 666 CB ARG A 227 5.942 6.290 9.971 1.00 0.24 C ATOM 667 CG ARG A 227 5.851 7.276 8.817 1.00 0.27 C ATOM 668 CD ARG A 227 7.226 7.691 8.318 1.00 0.37 C ATOM 669 NE ARG A 227 8.036 8.314 9.363 1.00 0.98 N ATOM 670 CZ ARG A 227 9.347 8.538 9.258 1.00 1.26 C ATOM 671 NH1 ARG A 227 9.999 8.209 8.147 1.00 0.71 N ATOM 672 NH2 ARG A 227 10.007 9.100 10.261 1.00 2.25 N ATOM 0 H ARG A 227 5.024 4.536 8.470 1.00 0.18 H new ATOM 0 HA ARG A 227 7.648 5.284 9.168 1.00 0.21 H new ATOM 0 HB2 ARG A 227 4.934 6.030 10.294 1.00 0.24 H new ATOM 0 HB3 ARG A 227 6.431 6.777 10.814 1.00 0.24 H new ATOM 0 HG2 ARG A 227 5.288 6.827 7.999 1.00 0.27 H new ATOM 0 HG3 ARG A 227 5.299 8.160 9.137 1.00 0.27 H new ATOM 0 HD2 ARG A 227 7.748 6.816 7.931 1.00 0.37 H new ATOM 0 HD3 ARG A 227 7.113 8.387 7.487 1.00 0.37 H new ATOM 0 HE ARG A 227 7.570 8.595 10.226 1.00 0.98 H new ATOM 0 HH11 ARG A 227 9.497 7.783 7.368 1.00 0.71 H new ATOM 0 HH12 ARG A 227 11.001 8.383 8.073 1.00 0.71 H new ATOM 0 HH21 ARG A 227 9.513 9.362 11.114 1.00 2.25 H new ATOM 0 HH22 ARG A 227 11.009 9.271 10.180 1.00 2.25 H new ATOM 686 N SER A 228 6.049 3.348 11.276 1.00 0.28 N ATOM 687 CA SER A 228 6.206 2.517 12.460 1.00 0.33 C ATOM 688 C SER A 228 7.149 1.343 12.186 1.00 0.35 C ATOM 689 O SER A 228 7.517 0.608 13.101 1.00 0.40 O ATOM 690 CB SER A 228 4.839 2.002 12.920 1.00 0.36 C ATOM 691 OG SER A 228 4.929 1.331 14.166 1.00 1.16 O ATOM 0 H SER A 228 5.172 3.204 10.775 1.00 0.28 H new ATOM 0 HA SER A 228 6.645 3.125 13.251 1.00 0.33 H new ATOM 0 HB2 SER A 228 4.144 2.837 13.005 1.00 0.36 H new ATOM 0 HB3 SER A 228 4.433 1.324 12.169 1.00 0.36 H new ATOM 0 HG SER A 228 5.846 1.012 14.300 1.00 1.16 H new ATOM 697 N SER A 229 7.541 1.174 10.928 1.00 0.34 N ATOM 698 CA SER A 229 8.496 0.136 10.563 1.00 0.37 C ATOM 699 C SER A 229 9.899 0.558 10.993 1.00 0.38 C ATOM 700 O SER A 229 10.817 -0.260 11.091 1.00 0.42 O ATOM 701 CB SER A 229 8.448 -0.126 9.053 1.00 0.34 C ATOM 702 OG SER A 229 9.298 -1.198 8.683 1.00 0.93 O ATOM 0 H SER A 229 7.213 1.741 10.146 1.00 0.34 H new ATOM 0 HA SER A 229 8.233 -0.790 11.075 1.00 0.37 H new ATOM 0 HB2 SER A 229 7.424 -0.353 8.755 1.00 0.34 H new ATOM 0 HB3 SER A 229 8.744 0.776 8.517 1.00 0.34 H new ATOM 0 HG SER A 229 9.243 -1.340 7.715 1.00 0.93 H new ATOM 708 N PHE A 230 10.051 1.847 11.259 1.00 0.36 N ATOM 709 CA PHE A 230 11.310 2.383 11.741 1.00 0.39 C ATOM 710 C PHE A 230 11.269 2.503 13.257 1.00 0.52 C ATOM 711 O PHE A 230 11.727 1.565 13.939 1.00 1.20 O ATOM 712 CB PHE A 230 11.601 3.743 11.109 1.00 0.32 C ATOM 713 CG PHE A 230 11.637 3.716 9.611 1.00 0.30 C ATOM 714 CD1 PHE A 230 12.605 2.986 8.940 1.00 1.21 C ATOM 715 CD2 PHE A 230 10.699 4.416 8.872 1.00 1.22 C ATOM 716 CE1 PHE A 230 12.637 2.958 7.559 1.00 1.21 C ATOM 717 CE2 PHE A 230 10.727 4.393 7.494 1.00 1.27 C ATOM 718 CZ PHE A 230 11.697 3.663 6.835 1.00 0.47 C ATOM 719 OXT PHE A 230 10.757 3.522 13.764 1.00 1.24 O ATOM 0 H PHE A 230 9.313 2.542 11.148 1.00 0.36 H new ATOM 0 HA PHE A 230 12.111 1.701 11.456 1.00 0.39 H new ATOM 0 HB2 PHE A 230 10.841 4.454 11.433 1.00 0.32 H new ATOM 0 HB3 PHE A 230 12.558 4.109 11.480 1.00 0.32 H new ATOM 0 HD1 PHE A 230 13.342 2.433 9.503 1.00 1.21 H new ATOM 0 HD2 PHE A 230 9.936 4.987 9.381 1.00 1.22 H new ATOM 0 HE1 PHE A 230 13.396 2.385 7.047 1.00 1.21 H new ATOM 0 HE2 PHE A 230 9.991 4.946 6.930 1.00 1.27 H new ATOM 0 HZ PHE A 230 11.720 3.644 5.755 1.00 0.47 H new ATOM 777 N SER B 190 -14.318 -4.147 -0.009 1.00 0.38 N ATOM 778 CA SER B 190 -14.437 -5.524 -0.469 1.00 0.42 C ATOM 779 C SER B 190 -13.206 -5.947 -1.263 1.00 0.37 C ATOM 780 O SER B 190 -12.655 -7.023 -1.037 1.00 0.39 O ATOM 781 CB SER B 190 -15.693 -5.670 -1.322 1.00 0.54 C ATOM 782 OG SER B 190 -16.809 -5.102 -0.661 1.00 1.24 O ATOM 0 HA SER B 190 -14.512 -6.176 0.401 1.00 0.42 H new ATOM 0 HB2 SER B 190 -15.545 -5.181 -2.285 1.00 0.54 H new ATOM 0 HB3 SER B 190 -15.881 -6.724 -1.526 1.00 0.54 H new ATOM 0 HG SER B 190 -16.502 -4.415 -0.033 1.00 1.24 H new ATOM 788 N VAL B 191 -12.765 -5.085 -2.170 1.00 0.34 N ATOM 789 CA VAL B 191 -11.592 -5.372 -2.979 1.00 0.29 C ATOM 790 C VAL B 191 -10.336 -5.415 -2.116 1.00 0.24 C ATOM 791 O VAL B 191 -9.457 -6.237 -2.334 1.00 0.24 O ATOM 792 CB VAL B 191 -11.413 -4.344 -4.121 1.00 0.29 C ATOM 793 CG1 VAL B 191 -11.301 -2.927 -3.581 1.00 0.34 C ATOM 794 CG2 VAL B 191 -10.196 -4.688 -4.965 1.00 0.30 C ATOM 0 H VAL B 191 -13.202 -4.184 -2.362 1.00 0.34 H new ATOM 0 HA VAL B 191 -11.748 -6.352 -3.431 1.00 0.29 H new ATOM 0 HB VAL B 191 -12.301 -4.392 -4.751 1.00 0.29 H new ATOM 0 HG11 VAL B 191 -11.176 -2.230 -4.410 1.00 0.34 H new ATOM 0 HG12 VAL B 191 -12.207 -2.675 -3.029 1.00 0.34 H new ATOM 0 HG13 VAL B 191 -10.440 -2.858 -2.916 1.00 0.34 H new ATOM 0 HG21 VAL B 191 -10.087 -3.953 -5.763 1.00 0.30 H new ATOM 0 HG22 VAL B 191 -9.304 -4.678 -4.338 1.00 0.30 H new ATOM 0 HG23 VAL B 191 -10.323 -5.679 -5.400 1.00 0.30 H new ATOM 804 N VAL B 192 -10.274 -4.553 -1.111 1.00 0.23 N ATOM 805 CA VAL B 192 -9.119 -4.497 -0.226 1.00 0.20 C ATOM 806 C VAL B 192 -9.058 -5.753 0.630 1.00 0.19 C ATOM 807 O VAL B 192 -8.012 -6.122 1.154 1.00 0.18 O ATOM 808 CB VAL B 192 -9.166 -3.261 0.695 1.00 0.19 C ATOM 809 CG1 VAL B 192 -7.856 -3.097 1.450 1.00 0.16 C ATOM 810 CG2 VAL B 192 -9.478 -2.011 -0.103 1.00 0.22 C ATOM 0 H VAL B 192 -11.010 -3.883 -0.888 1.00 0.23 H new ATOM 0 HA VAL B 192 -8.230 -4.426 -0.853 1.00 0.20 H new ATOM 0 HB VAL B 192 -9.962 -3.413 1.423 1.00 0.19 H new ATOM 0 HG11 VAL B 192 -7.914 -2.219 2.093 1.00 0.16 H new ATOM 0 HG12 VAL B 192 -7.675 -3.982 2.060 1.00 0.16 H new ATOM 0 HG13 VAL B 192 -7.039 -2.973 0.739 1.00 0.16 H new ATOM 0 HG21 VAL B 192 -9.507 -1.150 0.565 1.00 0.22 H new ATOM 0 HG22 VAL B 192 -8.706 -1.859 -0.858 1.00 0.22 H new ATOM 0 HG23 VAL B 192 -10.446 -2.123 -0.592 1.00 0.22 H new ATOM 820 N ALA B 193 -10.190 -6.424 0.751 1.00 0.20 N ATOM 821 CA ALA B 193 -10.284 -7.625 1.554 1.00 0.21 C ATOM 822 C ALA B 193 -9.954 -8.871 0.738 1.00 0.21 C ATOM 823 O ALA B 193 -10.175 -9.993 1.198 1.00 0.23 O ATOM 824 CB ALA B 193 -11.675 -7.743 2.155 1.00 0.23 C ATOM 0 H ALA B 193 -11.063 -6.152 0.298 1.00 0.20 H new ATOM 0 HA ALA B 193 -9.551 -7.550 2.357 1.00 0.21 H new ATOM 0 HB1 ALA B 193 -11.735 -8.650 2.757 1.00 0.23 H new ATOM 0 HB2 ALA B 193 -11.874 -6.876 2.784 1.00 0.23 H new ATOM 0 HB3 ALA B 193 -12.414 -7.789 1.355 1.00 0.23 H new ATOM 830 N THR B 194 -9.415 -8.687 -0.463 1.00 0.21 N ATOM 831 CA THR B 194 -9.158 -9.813 -1.344 1.00 0.22 C ATOM 832 C THR B 194 -7.671 -10.111 -1.409 1.00 0.21 C ATOM 833 O THR B 194 -6.839 -9.252 -1.110 1.00 0.19 O ATOM 834 CB THR B 194 -9.671 -9.572 -2.779 1.00 0.24 C ATOM 835 OG1 THR B 194 -8.934 -8.511 -3.399 1.00 0.23 O ATOM 836 CG2 THR B 194 -11.152 -9.233 -2.778 1.00 0.25 C ATOM 0 H THR B 194 -9.151 -7.778 -0.843 1.00 0.21 H new ATOM 0 HA THR B 194 -9.700 -10.660 -0.922 1.00 0.22 H new ATOM 0 HB THR B 194 -9.525 -10.491 -3.346 1.00 0.24 H new ATOM 0 HG1 THR B 194 -9.389 -7.658 -3.236 1.00 0.23 H new ATOM 0 HG21 THR B 194 -11.488 -9.068 -3.802 1.00 0.25 H new ATOM 0 HG22 THR B 194 -11.714 -10.058 -2.340 1.00 0.25 H new ATOM 0 HG23 THR B 194 -11.318 -8.329 -2.191 1.00 0.25 H new ATOM 844 N GLU B 195 -7.341 -11.327 -1.797 1.00 0.25 N ATOM 845 CA GLU B 195 -5.959 -11.715 -1.999 1.00 0.26 C ATOM 846 C GLU B 195 -5.379 -10.936 -3.169 1.00 0.20 C ATOM 847 O GLU B 195 -4.236 -10.493 -3.130 1.00 0.19 O ATOM 848 CB GLU B 195 -5.869 -13.211 -2.274 1.00 0.36 C ATOM 849 CG GLU B 195 -6.504 -14.066 -1.194 1.00 0.83 C ATOM 850 CD GLU B 195 -6.486 -15.535 -1.545 1.00 1.69 C ATOM 851 OE1 GLU B 195 -7.413 -15.997 -2.241 1.00 2.46 O ATOM 852 OE2 GLU B 195 -5.536 -16.237 -1.140 1.00 2.24 O ATOM 0 H GLU B 195 -8.017 -12.069 -1.980 1.00 0.25 H new ATOM 0 HA GLU B 195 -5.389 -11.491 -1.098 1.00 0.26 H new ATOM 0 HB2 GLU B 195 -6.352 -13.426 -3.227 1.00 0.36 H new ATOM 0 HB3 GLU B 195 -4.821 -13.491 -2.378 1.00 0.36 H new ATOM 0 HG2 GLU B 195 -5.975 -13.912 -0.253 1.00 0.83 H new ATOM 0 HG3 GLU B 195 -7.534 -13.744 -1.037 1.00 0.83 H new ATOM 859 N ALA B 196 -6.203 -10.763 -4.196 1.00 0.21 N ATOM 860 CA ALA B 196 -5.810 -10.074 -5.419 1.00 0.22 C ATOM 861 C ALA B 196 -5.333 -8.651 -5.155 1.00 0.17 C ATOM 862 O ALA B 196 -4.376 -8.192 -5.777 1.00 0.17 O ATOM 863 CB ALA B 196 -6.968 -10.058 -6.399 1.00 0.27 C ATOM 0 H ALA B 196 -7.166 -11.098 -4.204 1.00 0.21 H new ATOM 0 HA ALA B 196 -4.971 -10.624 -5.846 1.00 0.22 H new ATOM 0 HB1 ALA B 196 -6.666 -9.541 -7.310 1.00 0.27 H new ATOM 0 HB2 ALA B 196 -7.255 -11.082 -6.640 1.00 0.27 H new ATOM 0 HB3 ALA B 196 -7.816 -9.539 -5.952 1.00 0.27 H new ATOM 869 N PHE B 197 -5.987 -7.959 -4.229 1.00 0.14 N ATOM 870 CA PHE B 197 -5.614 -6.585 -3.926 1.00 0.12 C ATOM 871 C PHE B 197 -4.202 -6.532 -3.370 1.00 0.11 C ATOM 872 O PHE B 197 -3.371 -5.772 -3.848 1.00 0.12 O ATOM 873 CB PHE B 197 -6.585 -5.961 -2.921 1.00 0.10 C ATOM 874 CG PHE B 197 -6.152 -4.606 -2.428 1.00 0.10 C ATOM 875 CD1 PHE B 197 -6.424 -3.467 -3.164 1.00 0.17 C ATOM 876 CD2 PHE B 197 -5.466 -4.476 -1.230 1.00 0.14 C ATOM 877 CE1 PHE B 197 -6.017 -2.226 -2.719 1.00 0.22 C ATOM 878 CE2 PHE B 197 -5.060 -3.237 -0.780 1.00 0.15 C ATOM 879 CZ PHE B 197 -5.336 -2.110 -1.525 1.00 0.17 C ATOM 0 H PHE B 197 -6.768 -8.322 -3.682 1.00 0.14 H new ATOM 0 HA PHE B 197 -5.659 -6.014 -4.854 1.00 0.12 H new ATOM 0 HB2 PHE B 197 -7.568 -5.873 -3.384 1.00 0.10 H new ATOM 0 HB3 PHE B 197 -6.693 -6.631 -2.068 1.00 0.10 H new ATOM 0 HD1 PHE B 197 -6.961 -3.550 -4.097 1.00 0.17 H new ATOM 0 HD2 PHE B 197 -5.247 -5.355 -0.642 1.00 0.14 H new ATOM 0 HE1 PHE B 197 -6.232 -1.345 -3.306 1.00 0.22 H new ATOM 0 HE2 PHE B 197 -4.526 -3.150 0.155 1.00 0.15 H new ATOM 0 HZ PHE B 197 -5.020 -1.139 -1.174 1.00 0.17 H new ATOM 889 N TRP B 198 -3.946 -7.350 -2.365 1.00 0.10 N ATOM 890 CA TRP B 198 -2.648 -7.377 -1.708 1.00 0.11 C ATOM 891 C TRP B 198 -1.577 -7.968 -2.613 1.00 0.12 C ATOM 892 O TRP B 198 -0.402 -7.617 -2.512 1.00 0.13 O ATOM 893 CB TRP B 198 -2.748 -8.125 -0.381 1.00 0.11 C ATOM 894 CG TRP B 198 -3.667 -7.421 0.568 1.00 0.11 C ATOM 895 CD1 TRP B 198 -4.910 -7.819 0.962 1.00 0.12 C ATOM 896 CD2 TRP B 198 -3.425 -6.164 1.205 1.00 0.12 C ATOM 897 NE1 TRP B 198 -5.453 -6.886 1.810 1.00 0.13 N ATOM 898 CE2 TRP B 198 -4.561 -5.863 1.977 1.00 0.13 C ATOM 899 CE3 TRP B 198 -2.355 -5.266 1.199 1.00 0.13 C ATOM 900 CZ2 TRP B 198 -4.657 -4.700 2.735 1.00 0.15 C ATOM 901 CZ3 TRP B 198 -2.452 -4.113 1.951 1.00 0.16 C ATOM 902 CH2 TRP B 198 -3.597 -3.837 2.711 1.00 0.16 C ATOM 0 H TRP B 198 -4.624 -8.009 -1.983 1.00 0.10 H new ATOM 0 HA TRP B 198 -2.345 -6.351 -1.497 1.00 0.11 H new ATOM 0 HB2 TRP B 198 -3.109 -9.138 -0.558 1.00 0.11 H new ATOM 0 HB3 TRP B 198 -1.758 -8.213 0.065 1.00 0.11 H new ATOM 0 HD1 TRP B 198 -5.395 -8.733 0.653 1.00 0.12 H new ATOM 0 HE1 TRP B 198 -6.373 -6.946 2.245 1.00 0.13 H new ATOM 0 HE3 TRP B 198 -1.469 -5.470 0.617 1.00 0.13 H new ATOM 0 HZ2 TRP B 198 -5.538 -4.487 3.322 1.00 0.15 H new ATOM 0 HZ3 TRP B 198 -1.631 -3.411 1.954 1.00 0.16 H new ATOM 0 HH2 TRP B 198 -3.643 -2.925 3.288 1.00 0.16 H new ATOM 913 N ASP B 199 -1.990 -8.859 -3.500 1.00 0.13 N ATOM 914 CA ASP B 199 -1.087 -9.450 -4.479 1.00 0.16 C ATOM 915 C ASP B 199 -0.562 -8.384 -5.430 1.00 0.14 C ATOM 916 O ASP B 199 0.646 -8.239 -5.613 1.00 0.14 O ATOM 917 CB ASP B 199 -1.806 -10.546 -5.268 1.00 0.22 C ATOM 918 CG ASP B 199 -0.966 -11.095 -6.400 1.00 0.31 C ATOM 919 OD1 ASP B 199 -0.072 -11.929 -6.137 1.00 0.99 O ATOM 920 OD2 ASP B 199 -1.203 -10.712 -7.563 1.00 1.25 O ATOM 0 H ASP B 199 -2.952 -9.192 -3.563 1.00 0.13 H new ATOM 0 HA ASP B 199 -0.243 -9.891 -3.948 1.00 0.16 H new ATOM 0 HB2 ASP B 199 -2.074 -11.358 -4.592 1.00 0.22 H new ATOM 0 HB3 ASP B 199 -2.737 -10.147 -5.672 1.00 0.22 H new ATOM 925 N ASP B 200 -1.475 -7.624 -6.016 1.00 0.16 N ATOM 926 CA ASP B 200 -1.100 -6.566 -6.944 1.00 0.18 C ATOM 927 C ASP B 200 -0.458 -5.397 -6.209 1.00 0.14 C ATOM 928 O ASP B 200 0.403 -4.713 -6.753 1.00 0.16 O ATOM 929 CB ASP B 200 -2.305 -6.092 -7.750 1.00 0.24 C ATOM 930 CG ASP B 200 -2.703 -7.069 -8.838 1.00 0.55 C ATOM 931 OD1 ASP B 200 -1.888 -7.315 -9.752 1.00 1.12 O ATOM 932 OD2 ASP B 200 -3.841 -7.581 -8.801 1.00 1.37 O ATOM 0 H ASP B 200 -2.479 -7.719 -5.866 1.00 0.16 H new ATOM 0 HA ASP B 200 -0.367 -6.978 -7.637 1.00 0.18 H new ATOM 0 HB2 ASP B 200 -3.149 -5.940 -7.078 1.00 0.24 H new ATOM 0 HB3 ASP B 200 -2.078 -5.126 -8.201 1.00 0.24 H new ATOM 937 N LEU B 201 -0.897 -5.165 -4.978 1.00 0.12 N ATOM 938 CA LEU B 201 -0.304 -4.143 -4.121 1.00 0.11 C ATOM 939 C LEU B 201 1.180 -4.446 -3.929 1.00 0.11 C ATOM 940 O LEU B 201 2.034 -3.572 -4.082 1.00 0.13 O ATOM 941 CB LEU B 201 -1.047 -4.125 -2.768 1.00 0.10 C ATOM 942 CG LEU B 201 -0.854 -2.892 -1.864 1.00 0.10 C ATOM 943 CD1 LEU B 201 0.532 -2.865 -1.242 1.00 0.17 C ATOM 944 CD2 LEU B 201 -1.112 -1.610 -2.639 1.00 0.13 C ATOM 0 H LEU B 201 -1.668 -5.675 -4.547 1.00 0.12 H new ATOM 0 HA LEU B 201 -0.398 -3.159 -4.581 1.00 0.11 H new ATOM 0 HB2 LEU B 201 -2.113 -4.231 -2.969 1.00 0.10 H new ATOM 0 HB3 LEU B 201 -0.740 -5.006 -2.204 1.00 0.10 H new ATOM 0 HG LEU B 201 -1.581 -2.964 -1.055 1.00 0.10 H new ATOM 0 HD11 LEU B 201 0.631 -1.981 -0.611 1.00 0.17 H new ATOM 0 HD12 LEU B 201 0.677 -3.760 -0.637 1.00 0.17 H new ATOM 0 HD13 LEU B 201 1.284 -2.834 -2.030 1.00 0.17 H new ATOM 0 HD21 LEU B 201 -0.970 -0.752 -1.981 1.00 0.13 H new ATOM 0 HD22 LEU B 201 -0.417 -1.545 -3.476 1.00 0.13 H new ATOM 0 HD23 LEU B 201 -2.135 -1.612 -3.016 1.00 0.13 H new ATOM 956 N GLN B 202 1.480 -5.704 -3.629 1.00 0.11 N ATOM 957 CA GLN B 202 2.856 -6.147 -3.492 1.00 0.12 C ATOM 958 C GLN B 202 3.586 -6.052 -4.827 1.00 0.12 C ATOM 959 O GLN B 202 4.758 -5.706 -4.869 1.00 0.13 O ATOM 960 CB GLN B 202 2.910 -7.575 -2.957 1.00 0.15 C ATOM 961 CG GLN B 202 4.311 -8.161 -2.944 1.00 0.21 C ATOM 962 CD GLN B 202 4.363 -9.531 -2.312 1.00 0.25 C ATOM 963 OE1 GLN B 202 3.384 -10.272 -2.325 1.00 0.71 O ATOM 964 NE2 GLN B 202 5.512 -9.884 -1.764 1.00 0.40 N ATOM 0 H GLN B 202 0.785 -6.435 -3.476 1.00 0.11 H new ATOM 0 HA GLN B 202 3.355 -5.492 -2.778 1.00 0.12 H new ATOM 0 HB2 GLN B 202 2.508 -7.591 -1.944 1.00 0.15 H new ATOM 0 HB3 GLN B 202 2.265 -8.208 -3.566 1.00 0.15 H new ATOM 0 HG2 GLN B 202 4.684 -8.222 -3.966 1.00 0.21 H new ATOM 0 HG3 GLN B 202 4.976 -7.489 -2.401 1.00 0.21 H new ATOM 0 HE21 GLN B 202 6.302 -9.238 -1.774 1.00 0.40 H new ATOM 0 HE22 GLN B 202 5.610 -10.802 -1.331 1.00 0.40 H new ATOM 973 N GLY B 203 2.881 -6.356 -5.912 1.00 0.14 N ATOM 974 CA GLY B 203 3.458 -6.226 -7.241 1.00 0.16 C ATOM 975 C GLY B 203 3.887 -4.802 -7.542 1.00 0.15 C ATOM 976 O GLY B 203 4.940 -4.573 -8.141 1.00 0.15 O ATOM 0 H GLY B 203 1.918 -6.691 -5.896 1.00 0.14 H new ATOM 0 HA2 GLY B 203 4.319 -6.889 -7.328 1.00 0.16 H new ATOM 0 HA3 GLY B 203 2.730 -6.549 -7.985 1.00 0.16 H new ATOM 980 N PHE B 204 3.078 -3.846 -7.100 1.00 0.15 N ATOM 981 CA PHE B 204 3.388 -2.432 -7.261 1.00 0.17 C ATOM 982 C PHE B 204 4.610 -2.085 -6.427 1.00 0.17 C ATOM 983 O PHE B 204 5.499 -1.342 -6.860 1.00 0.18 O ATOM 984 CB PHE B 204 2.188 -1.577 -6.832 1.00 0.20 C ATOM 985 CG PHE B 204 2.475 -0.102 -6.789 1.00 0.22 C ATOM 986 CD1 PHE B 204 2.440 0.663 -7.942 1.00 1.24 C ATOM 987 CD2 PHE B 204 2.786 0.520 -5.589 1.00 1.19 C ATOM 988 CE1 PHE B 204 2.711 2.016 -7.899 1.00 1.26 C ATOM 989 CE2 PHE B 204 3.056 1.872 -5.541 1.00 1.20 C ATOM 990 CZ PHE B 204 3.019 2.621 -6.697 1.00 0.32 C ATOM 0 H PHE B 204 2.195 -4.028 -6.623 1.00 0.15 H new ATOM 0 HA PHE B 204 3.601 -2.225 -8.310 1.00 0.17 H new ATOM 0 HB2 PHE B 204 1.362 -1.756 -7.520 1.00 0.20 H new ATOM 0 HB3 PHE B 204 1.857 -1.902 -5.845 1.00 0.20 H new ATOM 0 HD1 PHE B 204 2.198 0.196 -8.885 1.00 1.24 H new ATOM 0 HD2 PHE B 204 2.817 -0.062 -4.680 1.00 1.19 H new ATOM 0 HE1 PHE B 204 2.682 2.601 -8.806 1.00 1.26 H new ATOM 0 HE2 PHE B 204 3.296 2.343 -4.599 1.00 1.20 H new ATOM 0 HZ PHE B 204 3.231 3.680 -6.663 1.00 0.32 H new ATOM 1000 N LEU B 205 4.656 -2.656 -5.233 1.00 0.16 N ATOM 1001 CA LEU B 205 5.773 -2.459 -4.329 1.00 0.17 C ATOM 1002 C LEU B 205 7.049 -3.048 -4.920 1.00 0.18 C ATOM 1003 O LEU B 205 8.128 -2.514 -4.725 1.00 0.20 O ATOM 1004 CB LEU B 205 5.472 -3.088 -2.966 1.00 0.17 C ATOM 1005 CG LEU B 205 4.810 -2.169 -1.930 1.00 0.17 C ATOM 1006 CD1 LEU B 205 3.739 -1.294 -2.563 1.00 0.18 C ATOM 1007 CD2 LEU B 205 4.205 -2.998 -0.813 1.00 0.15 C ATOM 0 H LEU B 205 3.924 -3.265 -4.867 1.00 0.16 H new ATOM 0 HA LEU B 205 5.922 -1.388 -4.191 1.00 0.17 H new ATOM 0 HB2 LEU B 205 4.825 -3.951 -3.122 1.00 0.17 H new ATOM 0 HB3 LEU B 205 6.406 -3.461 -2.546 1.00 0.17 H new ATOM 0 HG LEU B 205 5.581 -1.515 -1.523 1.00 0.17 H new ATOM 0 HD11 LEU B 205 3.292 -0.657 -1.800 1.00 0.18 H new ATOM 0 HD12 LEU B 205 4.188 -0.672 -3.338 1.00 0.18 H new ATOM 0 HD13 LEU B 205 2.968 -1.925 -3.006 1.00 0.18 H new ATOM 0 HD21 LEU B 205 3.737 -2.338 -0.082 1.00 0.15 H new ATOM 0 HD22 LEU B 205 3.454 -3.672 -1.226 1.00 0.15 H new ATOM 0 HD23 LEU B 205 4.988 -3.580 -0.327 1.00 0.15 H new ATOM 1019 N GLU B 206 6.919 -4.144 -5.651 1.00 0.17 N ATOM 1020 CA GLU B 206 8.056 -4.741 -6.334 1.00 0.20 C ATOM 1021 C GLU B 206 8.588 -3.794 -7.398 1.00 0.22 C ATOM 1022 O GLU B 206 9.796 -3.579 -7.503 1.00 0.25 O ATOM 1023 CB GLU B 206 7.672 -6.071 -6.979 1.00 0.21 C ATOM 1024 CG GLU B 206 7.350 -7.175 -5.987 1.00 0.24 C ATOM 1025 CD GLU B 206 6.984 -8.473 -6.675 1.00 0.30 C ATOM 1026 OE1 GLU B 206 7.899 -9.245 -7.028 1.00 1.12 O ATOM 1027 OE2 GLU B 206 5.780 -8.723 -6.879 1.00 1.14 O ATOM 0 H GLU B 206 6.037 -4.638 -5.787 1.00 0.17 H new ATOM 0 HA GLU B 206 8.833 -4.926 -5.592 1.00 0.20 H new ATOM 0 HB2 GLU B 206 6.807 -5.913 -7.623 1.00 0.21 H new ATOM 0 HB3 GLU B 206 8.490 -6.401 -7.619 1.00 0.21 H new ATOM 0 HG2 GLU B 206 8.210 -7.340 -5.338 1.00 0.24 H new ATOM 0 HG3 GLU B 206 6.525 -6.859 -5.349 1.00 0.24 H new ATOM 1034 N GLN B 207 7.677 -3.232 -8.185 1.00 0.22 N ATOM 1035 CA GLN B 207 8.039 -2.311 -9.258 1.00 0.26 C ATOM 1036 C GLN B 207 8.797 -1.095 -8.730 1.00 0.27 C ATOM 1037 O GLN B 207 9.828 -0.708 -9.277 1.00 0.28 O ATOM 1038 CB GLN B 207 6.784 -1.844 -9.993 1.00 0.35 C ATOM 1039 CG GLN B 207 6.008 -2.970 -10.648 1.00 0.41 C ATOM 1040 CD GLN B 207 4.736 -2.486 -11.312 1.00 0.54 C ATOM 1041 OE1 GLN B 207 3.680 -2.432 -10.683 1.00 0.79 O ATOM 1042 NE2 GLN B 207 4.824 -2.132 -12.583 1.00 1.13 N ATOM 0 H GLN B 207 6.675 -3.400 -8.099 1.00 0.22 H new ATOM 0 HA GLN B 207 8.694 -2.849 -9.943 1.00 0.26 H new ATOM 0 HB2 GLN B 207 6.132 -1.327 -9.289 1.00 0.35 H new ATOM 0 HB3 GLN B 207 7.069 -1.119 -10.755 1.00 0.35 H new ATOM 0 HG2 GLN B 207 6.639 -3.458 -11.391 1.00 0.41 H new ATOM 0 HG3 GLN B 207 5.760 -3.721 -9.898 1.00 0.41 H new ATOM 0 HE21 GLN B 207 5.719 -2.192 -13.068 1.00 1.13 H new ATOM 0 HE22 GLN B 207 3.997 -1.799 -13.078 1.00 1.13 H new ATOM 1051 N ARG B 208 8.277 -0.494 -7.670 1.00 0.29 N ATOM 1052 CA ARG B 208 8.845 0.740 -7.138 1.00 0.35 C ATOM 1053 C ARG B 208 10.064 0.480 -6.258 1.00 0.36 C ATOM 1054 O ARG B 208 11.084 1.157 -6.379 1.00 0.42 O ATOM 1055 CB ARG B 208 7.787 1.497 -6.336 1.00 0.40 C ATOM 1056 CG ARG B 208 6.561 1.874 -7.148 1.00 0.71 C ATOM 1057 CD ARG B 208 6.885 2.911 -8.209 1.00 0.48 C ATOM 1058 NE ARG B 208 5.767 3.116 -9.125 1.00 1.26 N ATOM 1059 CZ ARG B 208 5.173 4.287 -9.339 1.00 1.29 C ATOM 1060 NH1 ARG B 208 5.572 5.376 -8.693 1.00 1.59 N ATOM 1061 NH2 ARG B 208 4.173 4.369 -10.205 1.00 1.98 N ATOM 0 H ARG B 208 7.464 -0.839 -7.160 1.00 0.29 H new ATOM 0 HA ARG B 208 9.171 1.340 -7.987 1.00 0.35 H new ATOM 0 HB2 ARG B 208 7.477 0.884 -5.490 1.00 0.40 H new ATOM 0 HB3 ARG B 208 8.233 2.403 -5.926 1.00 0.40 H new ATOM 0 HG2 ARG B 208 6.152 0.983 -7.624 1.00 0.71 H new ATOM 0 HG3 ARG B 208 5.790 2.263 -6.483 1.00 0.71 H new ATOM 0 HD2 ARG B 208 7.139 3.856 -7.728 1.00 0.48 H new ATOM 0 HD3 ARG B 208 7.763 2.593 -8.772 1.00 0.48 H new ATOM 0 HE ARG B 208 5.417 2.306 -9.636 1.00 1.26 H new ATOM 0 HH11 ARG B 208 6.341 5.320 -8.025 1.00 1.59 H new ATOM 0 HH12 ARG B 208 5.110 6.269 -8.865 1.00 1.59 H new ATOM 0 HH21 ARG B 208 3.861 3.536 -10.705 1.00 1.98 H new ATOM 0 HH22 ARG B 208 3.715 5.265 -10.372 1.00 1.98 H new ATOM 1075 N LEU B 209 9.951 -0.498 -5.377 1.00 0.33 N ATOM 1076 CA LEU B 209 10.973 -0.746 -4.365 1.00 0.36 C ATOM 1077 C LEU B 209 12.130 -1.558 -4.912 1.00 0.39 C ATOM 1078 O LEU B 209 13.236 -1.501 -4.377 1.00 0.45 O ATOM 1079 CB LEU B 209 10.375 -1.478 -3.159 1.00 0.33 C ATOM 1080 CG LEU B 209 9.551 -0.630 -2.183 1.00 0.33 C ATOM 1081 CD1 LEU B 209 8.441 0.125 -2.889 1.00 0.34 C ATOM 1082 CD2 LEU B 209 8.966 -1.515 -1.100 1.00 0.38 C ATOM 0 H LEU B 209 9.158 -1.139 -5.339 1.00 0.33 H new ATOM 0 HA LEU B 209 11.351 0.229 -4.056 1.00 0.36 H new ATOM 0 HB2 LEU B 209 9.742 -2.284 -3.529 1.00 0.33 H new ATOM 0 HB3 LEU B 209 11.190 -1.942 -2.603 1.00 0.33 H new ATOM 0 HG LEU B 209 10.219 0.106 -1.736 1.00 0.33 H new ATOM 0 HD11 LEU B 209 7.881 0.713 -2.162 1.00 0.34 H new ATOM 0 HD12 LEU B 209 8.872 0.789 -3.638 1.00 0.34 H new ATOM 0 HD13 LEU B 209 7.771 -0.584 -3.375 1.00 0.34 H new ATOM 0 HD21 LEU B 209 8.382 -0.907 -0.409 1.00 0.38 H new ATOM 0 HD22 LEU B 209 8.322 -2.268 -1.554 1.00 0.38 H new ATOM 0 HD23 LEU B 209 9.773 -2.007 -0.557 1.00 0.38 H new ATOM 1094 N LYS B 210 11.859 -2.300 -5.985 1.00 0.36 N ATOM 1095 CA LYS B 210 12.842 -3.196 -6.584 1.00 0.40 C ATOM 1096 C LYS B 210 13.347 -4.198 -5.551 1.00 0.38 C ATOM 1097 O LYS B 210 14.526 -4.559 -5.532 1.00 0.42 O ATOM 1098 CB LYS B 210 14.004 -2.399 -7.185 1.00 0.49 C ATOM 1099 CG LYS B 210 13.594 -1.531 -8.363 1.00 0.90 C ATOM 1100 CD LYS B 210 13.111 -2.375 -9.532 1.00 1.06 C ATOM 1101 CE LYS B 210 12.647 -1.513 -10.694 1.00 1.62 C ATOM 1102 NZ LYS B 210 13.723 -0.619 -11.192 1.00 2.19 N ATOM 0 H LYS B 210 10.956 -2.296 -6.460 1.00 0.36 H new ATOM 0 HA LYS B 210 12.360 -3.749 -7.390 1.00 0.40 H new ATOM 0 HB2 LYS B 210 14.440 -1.767 -6.411 1.00 0.49 H new ATOM 0 HB3 LYS B 210 14.782 -3.091 -7.507 1.00 0.49 H new ATOM 0 HG2 LYS B 210 12.803 -0.847 -8.055 1.00 0.90 H new ATOM 0 HG3 LYS B 210 14.440 -0.920 -8.678 1.00 0.90 H new ATOM 0 HD2 LYS B 210 13.916 -3.031 -9.864 1.00 1.06 H new ATOM 0 HD3 LYS B 210 12.292 -3.016 -9.204 1.00 1.06 H new ATOM 0 HE2 LYS B 210 12.304 -2.154 -11.506 1.00 1.62 H new ATOM 0 HE3 LYS B 210 11.793 -0.912 -10.381 1.00 1.62 H new ATOM 0 HZ1 LYS B 210 13.435 -0.202 -12.100 1.00 2.19 H new ATOM 0 HZ2 LYS B 210 13.892 0.139 -10.501 1.00 2.19 H new ATOM 0 HZ3 LYS B 210 14.597 -1.168 -11.324 1.00 2.19 H new ATOM 1116 N ASP B 211 12.435 -4.643 -4.693 1.00 0.34 N ATOM 1117 CA ASP B 211 12.774 -5.558 -3.616 1.00 0.34 C ATOM 1118 C ASP B 211 11.535 -6.325 -3.181 1.00 0.31 C ATOM 1119 O ASP B 211 10.616 -5.756 -2.593 1.00 0.31 O ATOM 1120 CB ASP B 211 13.349 -4.794 -2.425 1.00 0.37 C ATOM 1121 CG ASP B 211 13.969 -5.716 -1.398 1.00 0.39 C ATOM 1122 OD1 ASP B 211 13.254 -6.167 -0.483 1.00 1.11 O ATOM 1123 OD2 ASP B 211 15.182 -5.994 -1.505 1.00 1.06 O ATOM 0 H ASP B 211 11.450 -4.381 -4.726 1.00 0.34 H new ATOM 0 HA ASP B 211 13.526 -6.258 -3.980 1.00 0.34 H new ATOM 0 HB2 ASP B 211 14.101 -4.088 -2.778 1.00 0.37 H new ATOM 0 HB3 ASP B 211 12.558 -4.209 -1.955 1.00 0.37 H new ATOM 1128 N TYR B 212 11.512 -7.611 -3.487 1.00 0.30 N ATOM 1129 CA TYR B 212 10.369 -8.455 -3.175 1.00 0.29 C ATOM 1130 C TYR B 212 10.210 -8.637 -1.670 1.00 0.30 C ATOM 1131 O TYR B 212 9.089 -8.726 -1.164 1.00 0.29 O ATOM 1132 CB TYR B 212 10.506 -9.820 -3.857 1.00 0.32 C ATOM 1133 CG TYR B 212 9.383 -10.777 -3.518 1.00 0.37 C ATOM 1134 CD1 TYR B 212 8.175 -10.727 -4.198 1.00 1.35 C ATOM 1135 CD2 TYR B 212 9.529 -11.719 -2.509 1.00 1.12 C ATOM 1136 CE1 TYR B 212 7.143 -11.587 -3.882 1.00 1.41 C ATOM 1137 CE2 TYR B 212 8.504 -12.585 -2.189 1.00 1.15 C ATOM 1138 CZ TYR B 212 7.313 -12.516 -2.877 1.00 0.60 C ATOM 1139 OH TYR B 212 6.285 -13.369 -2.553 1.00 0.74 O ATOM 0 H TYR B 212 12.277 -8.097 -3.955 1.00 0.30 H new ATOM 0 HA TYR B 212 9.477 -7.957 -3.554 1.00 0.29 H new ATOM 0 HB2 TYR B 212 10.538 -9.677 -4.937 1.00 0.32 H new ATOM 0 HB3 TYR B 212 11.456 -10.269 -3.567 1.00 0.32 H new ATOM 0 HD1 TYR B 212 8.040 -10.003 -4.988 1.00 1.35 H new ATOM 0 HD2 TYR B 212 10.461 -11.775 -1.965 1.00 1.12 H new ATOM 0 HE1 TYR B 212 6.207 -11.533 -4.419 1.00 1.41 H new ATOM 0 HE2 TYR B 212 8.635 -13.314 -1.403 1.00 1.15 H new ATOM 0 HH TYR B 212 6.568 -13.961 -1.825 1.00 0.74 H new ATOM 1149 N ASP B 213 11.326 -8.682 -0.959 1.00 0.34 N ATOM 1150 CA ASP B 213 11.305 -8.930 0.479 1.00 0.38 C ATOM 1151 C ASP B 213 10.615 -7.792 1.222 1.00 0.33 C ATOM 1152 O ASP B 213 9.693 -8.023 2.005 1.00 0.30 O ATOM 1153 CB ASP B 213 12.728 -9.118 1.007 1.00 0.49 C ATOM 1154 CG ASP B 213 12.765 -9.314 2.509 1.00 1.14 C ATOM 1155 OD1 ASP B 213 12.319 -10.379 2.982 1.00 1.62 O ATOM 1156 OD2 ASP B 213 13.239 -8.404 3.223 1.00 2.00 O ATOM 0 H ASP B 213 12.258 -8.550 -1.351 1.00 0.34 H new ATOM 0 HA ASP B 213 10.738 -9.844 0.655 1.00 0.38 H new ATOM 0 HB2 ASP B 213 13.183 -9.980 0.519 1.00 0.49 H new ATOM 0 HB3 ASP B 213 13.329 -8.248 0.742 1.00 0.49 H new ATOM 1161 N GLU B 214 11.036 -6.565 0.948 1.00 0.34 N ATOM 1162 CA GLU B 214 10.448 -5.400 1.592 1.00 0.34 C ATOM 1163 C GLU B 214 9.037 -5.172 1.070 1.00 0.26 C ATOM 1164 O GLU B 214 8.178 -4.647 1.775 1.00 0.25 O ATOM 1165 CB GLU B 214 11.309 -4.158 1.356 1.00 0.44 C ATOM 1166 CG GLU B 214 10.925 -2.974 2.232 1.00 0.56 C ATOM 1167 CD GLU B 214 11.138 -3.242 3.713 1.00 0.75 C ATOM 1168 OE1 GLU B 214 12.302 -3.193 4.171 1.00 1.25 O ATOM 1169 OE2 GLU B 214 10.147 -3.475 4.432 1.00 1.48 O ATOM 0 H GLU B 214 11.781 -6.351 0.285 1.00 0.34 H new ATOM 0 HA GLU B 214 10.403 -5.584 2.665 1.00 0.34 H new ATOM 0 HB2 GLU B 214 12.354 -4.410 1.539 1.00 0.44 H new ATOM 0 HB3 GLU B 214 11.230 -3.865 0.309 1.00 0.44 H new ATOM 0 HG2 GLU B 214 11.512 -2.104 1.937 1.00 0.56 H new ATOM 0 HG3 GLU B 214 9.878 -2.725 2.060 1.00 0.56 H new ATOM 1176 N ALA B 215 8.793 -5.601 -0.162 1.00 0.21 N ATOM 1177 CA ALA B 215 7.471 -5.485 -0.755 1.00 0.17 C ATOM 1178 C ALA B 215 6.497 -6.385 -0.010 1.00 0.16 C ATOM 1179 O ALA B 215 5.336 -6.039 0.206 1.00 0.15 O ATOM 1180 CB ALA B 215 7.512 -5.854 -2.231 1.00 0.16 C ATOM 0 H ALA B 215 9.493 -6.031 -0.767 1.00 0.21 H new ATOM 0 HA ALA B 215 7.136 -4.451 -0.673 1.00 0.17 H new ATOM 0 HB1 ALA B 215 6.513 -5.761 -2.657 1.00 0.16 H new ATOM 0 HB2 ALA B 215 8.194 -5.184 -2.755 1.00 0.16 H new ATOM 0 HB3 ALA B 215 7.859 -6.882 -2.340 1.00 0.16 H new ATOM 1186 N ASN B 216 6.996 -7.546 0.392 1.00 0.17 N ATOM 1187 CA ASN B 216 6.214 -8.502 1.158 1.00 0.19 C ATOM 1188 C ASN B 216 5.967 -7.971 2.561 1.00 0.18 C ATOM 1189 O ASN B 216 4.840 -7.996 3.053 1.00 0.19 O ATOM 1190 CB ASN B 216 6.947 -9.843 1.224 1.00 0.22 C ATOM 1191 CG ASN B 216 6.118 -10.944 1.861 1.00 0.33 C ATOM 1192 OD1 ASN B 216 6.652 -11.840 2.511 1.00 0.63 O ATOM 1193 ND2 ASN B 216 4.809 -10.895 1.670 1.00 0.35 N ATOM 0 H ASN B 216 7.950 -7.849 0.197 1.00 0.17 H new ATOM 0 HA ASN B 216 5.253 -8.649 0.665 1.00 0.19 H new ATOM 0 HB2 ASN B 216 7.229 -10.146 0.216 1.00 0.22 H new ATOM 0 HB3 ASN B 216 7.870 -9.718 1.790 1.00 0.22 H new ATOM 0 HD21 ASN B 216 4.208 -11.617 2.068 1.00 0.35 H new ATOM 0 HD22 ASN B 216 4.401 -10.136 1.125 1.00 0.35 H new ATOM 1200 N LYS B 217 7.027 -7.475 3.183 1.00 0.19 N ATOM 1201 CA LYS B 217 6.943 -6.910 4.524 1.00 0.19 C ATOM 1202 C LYS B 217 5.942 -5.767 4.575 1.00 0.17 C ATOM 1203 O LYS B 217 5.174 -5.646 5.525 1.00 0.18 O ATOM 1204 CB LYS B 217 8.315 -6.417 4.972 1.00 0.22 C ATOM 1205 CG LYS B 217 9.313 -7.535 5.217 1.00 0.26 C ATOM 1206 CD LYS B 217 10.721 -6.997 5.408 1.00 0.37 C ATOM 1207 CE LYS B 217 10.807 -6.019 6.569 1.00 1.15 C ATOM 1208 NZ LYS B 217 10.473 -6.657 7.870 1.00 1.97 N ATOM 0 H LYS B 217 7.963 -7.452 2.777 1.00 0.19 H new ATOM 0 HA LYS B 217 6.602 -7.694 5.200 1.00 0.19 H new ATOM 0 HB2 LYS B 217 8.715 -5.744 4.214 1.00 0.22 H new ATOM 0 HB3 LYS B 217 8.202 -5.835 5.887 1.00 0.22 H new ATOM 0 HG2 LYS B 217 9.016 -8.101 6.100 1.00 0.26 H new ATOM 0 HG3 LYS B 217 9.299 -8.227 4.375 1.00 0.26 H new ATOM 0 HD2 LYS B 217 11.405 -7.827 5.583 1.00 0.37 H new ATOM 0 HD3 LYS B 217 11.047 -6.502 4.493 1.00 0.37 H new ATOM 0 HE2 LYS B 217 11.814 -5.604 6.618 1.00 1.15 H new ATOM 0 HE3 LYS B 217 10.127 -5.186 6.390 1.00 1.15 H new ATOM 0 HZ1 LYS B 217 10.627 -5.976 8.640 1.00 1.97 H new ATOM 0 HZ2 LYS B 217 9.477 -6.955 7.865 1.00 1.97 H new ATOM 0 HZ3 LYS B 217 11.082 -7.488 8.016 1.00 1.97 H new ATOM 1222 N LEU B 218 5.940 -4.945 3.536 1.00 0.15 N ATOM 1223 CA LEU B 218 5.024 -3.820 3.468 1.00 0.15 C ATOM 1224 C LEU B 218 3.609 -4.299 3.182 1.00 0.13 C ATOM 1225 O LEU B 218 2.652 -3.738 3.686 1.00 0.13 O ATOM 1226 CB LEU B 218 5.464 -2.804 2.422 1.00 0.15 C ATOM 1227 CG LEU B 218 6.648 -1.926 2.822 1.00 0.17 C ATOM 1228 CD1 LEU B 218 6.952 -0.936 1.717 1.00 0.20 C ATOM 1229 CD2 LEU B 218 6.364 -1.198 4.127 1.00 0.19 C ATOM 0 H LEU B 218 6.561 -5.037 2.732 1.00 0.15 H new ATOM 0 HA LEU B 218 5.037 -3.325 4.439 1.00 0.15 H new ATOM 0 HB2 LEU B 218 5.721 -3.338 1.507 1.00 0.15 H new ATOM 0 HB3 LEU B 218 4.617 -2.159 2.187 1.00 0.15 H new ATOM 0 HG LEU B 218 7.519 -2.564 2.975 1.00 0.17 H new ATOM 0 HD11 LEU B 218 7.797 -0.313 2.009 1.00 0.20 H new ATOM 0 HD12 LEU B 218 7.198 -1.476 0.802 1.00 0.20 H new ATOM 0 HD13 LEU B 218 6.080 -0.306 1.543 1.00 0.20 H new ATOM 0 HD21 LEU B 218 7.221 -0.579 4.392 1.00 0.19 H new ATOM 0 HD22 LEU B 218 5.483 -0.567 4.007 1.00 0.19 H new ATOM 0 HD23 LEU B 218 6.184 -1.926 4.918 1.00 0.19 H new ATOM 1241 N ARG B 219 3.487 -5.335 2.360 1.00 0.13 N ATOM 1242 CA ARG B 219 2.185 -5.925 2.061 1.00 0.13 C ATOM 1243 C ARG B 219 1.510 -6.384 3.350 1.00 0.13 C ATOM 1244 O ARG B 219 0.325 -6.133 3.573 1.00 0.12 O ATOM 1245 CB ARG B 219 2.345 -7.115 1.111 1.00 0.13 C ATOM 1246 CG ARG B 219 1.031 -7.630 0.545 1.00 0.19 C ATOM 1247 CD ARG B 219 1.183 -9.032 -0.025 1.00 0.17 C ATOM 1248 NE ARG B 219 1.289 -10.037 1.032 1.00 0.54 N ATOM 1249 CZ ARG B 219 1.698 -11.292 0.845 1.00 0.79 C ATOM 1250 NH1 ARG B 219 2.095 -11.701 -0.354 1.00 0.61 N ATOM 1251 NH2 ARG B 219 1.723 -12.135 1.867 1.00 1.29 N ATOM 0 H ARG B 219 4.272 -5.784 1.889 1.00 0.13 H new ATOM 0 HA ARG B 219 1.564 -5.169 1.580 1.00 0.13 H new ATOM 0 HB2 ARG B 219 2.996 -6.825 0.286 1.00 0.13 H new ATOM 0 HB3 ARG B 219 2.844 -7.926 1.641 1.00 0.13 H new ATOM 0 HG2 ARG B 219 0.273 -7.634 1.328 1.00 0.19 H new ATOM 0 HG3 ARG B 219 0.680 -6.955 -0.235 1.00 0.19 H new ATOM 0 HD2 ARG B 219 0.328 -9.261 -0.661 1.00 0.17 H new ATOM 0 HD3 ARG B 219 2.070 -9.074 -0.657 1.00 0.17 H new ATOM 0 HE ARG B 219 1.032 -9.758 1.979 1.00 0.54 H new ATOM 0 HH11 ARG B 219 2.089 -11.053 -1.142 1.00 0.61 H new ATOM 0 HH12 ARG B 219 2.406 -12.663 -0.487 1.00 0.61 H new ATOM 0 HH21 ARG B 219 1.430 -11.823 2.793 1.00 1.29 H new ATOM 0 HH22 ARG B 219 2.035 -13.096 1.728 1.00 1.29 H new ATOM 1265 N VAL B 220 2.296 -7.018 4.211 1.00 0.13 N ATOM 1266 CA VAL B 220 1.789 -7.535 5.473 1.00 0.14 C ATOM 1267 C VAL B 220 1.487 -6.382 6.418 1.00 0.14 C ATOM 1268 O VAL B 220 0.403 -6.290 6.983 1.00 0.16 O ATOM 1269 CB VAL B 220 2.798 -8.489 6.145 1.00 0.16 C ATOM 1270 CG1 VAL B 220 2.236 -9.039 7.447 1.00 0.19 C ATOM 1271 CG2 VAL B 220 3.180 -9.622 5.205 1.00 0.16 C ATOM 0 H VAL B 220 3.290 -7.186 4.056 1.00 0.13 H new ATOM 0 HA VAL B 220 0.879 -8.095 5.258 1.00 0.14 H new ATOM 0 HB VAL B 220 3.699 -7.920 6.375 1.00 0.16 H new ATOM 0 HG11 VAL B 220 2.964 -9.709 7.903 1.00 0.19 H new ATOM 0 HG12 VAL B 220 2.024 -8.215 8.129 1.00 0.19 H new ATOM 0 HG13 VAL B 220 1.316 -9.587 7.243 1.00 0.19 H new ATOM 0 HG21 VAL B 220 3.892 -10.282 5.701 1.00 0.16 H new ATOM 0 HG22 VAL B 220 2.288 -10.188 4.936 1.00 0.16 H new ATOM 0 HG23 VAL B 220 3.634 -9.210 4.304 1.00 0.16 H new ATOM 1281 N LEU B 221 2.460 -5.492 6.543 1.00 0.12 N ATOM 1282 CA LEU B 221 2.371 -4.343 7.434 1.00 0.13 C ATOM 1283 C LEU B 221 1.150 -3.489 7.107 1.00 0.11 C ATOM 1284 O LEU B 221 0.369 -3.124 7.990 1.00 0.12 O ATOM 1285 CB LEU B 221 3.651 -3.515 7.312 1.00 0.15 C ATOM 1286 CG LEU B 221 3.698 -2.231 8.135 1.00 0.16 C ATOM 1287 CD1 LEU B 221 3.502 -2.525 9.615 1.00 0.20 C ATOM 1288 CD2 LEU B 221 5.020 -1.519 7.901 1.00 0.25 C ATOM 0 H LEU B 221 3.338 -5.546 6.027 1.00 0.12 H new ATOM 0 HA LEU B 221 2.260 -4.697 8.459 1.00 0.13 H new ATOM 0 HB2 LEU B 221 4.494 -4.141 7.604 1.00 0.15 H new ATOM 0 HB3 LEU B 221 3.794 -3.256 6.263 1.00 0.15 H new ATOM 0 HG LEU B 221 2.883 -1.582 7.815 1.00 0.16 H new ATOM 0 HD11 LEU B 221 3.540 -1.593 10.179 1.00 0.20 H new ATOM 0 HD12 LEU B 221 2.533 -3.002 9.766 1.00 0.20 H new ATOM 0 HD13 LEU B 221 4.292 -3.191 9.961 1.00 0.20 H new ATOM 0 HD21 LEU B 221 5.049 -0.603 8.491 1.00 0.25 H new ATOM 0 HD22 LEU B 221 5.842 -2.170 8.201 1.00 0.25 H new ATOM 0 HD23 LEU B 221 5.119 -1.273 6.844 1.00 0.25 H new ATOM 1300 N PHE B 222 0.987 -3.192 5.830 1.00 0.10 N ATOM 1301 CA PHE B 222 -0.131 -2.392 5.365 1.00 0.10 C ATOM 1302 C PHE B 222 -1.437 -3.133 5.591 1.00 0.10 C ATOM 1303 O PHE B 222 -2.444 -2.527 5.947 1.00 0.11 O ATOM 1304 CB PHE B 222 0.019 -2.047 3.880 1.00 0.10 C ATOM 1305 CG PHE B 222 1.179 -1.141 3.559 1.00 0.10 C ATOM 1306 CD1 PHE B 222 1.949 -0.572 4.565 1.00 1.23 C ATOM 1307 CD2 PHE B 222 1.497 -0.856 2.239 1.00 1.16 C ATOM 1308 CE1 PHE B 222 3.007 0.257 4.260 1.00 1.24 C ATOM 1309 CE2 PHE B 222 2.556 -0.025 1.930 1.00 1.16 C ATOM 1310 CZ PHE B 222 3.312 0.532 2.941 1.00 0.12 C ATOM 0 H PHE B 222 1.621 -3.496 5.091 1.00 0.10 H new ATOM 0 HA PHE B 222 -0.140 -1.463 5.936 1.00 0.10 H new ATOM 0 HB2 PHE B 222 0.131 -2.973 3.315 1.00 0.10 H new ATOM 0 HB3 PHE B 222 -0.901 -1.573 3.536 1.00 0.10 H new ATOM 0 HD1 PHE B 222 1.716 -0.782 5.599 1.00 1.23 H new ATOM 0 HD2 PHE B 222 0.909 -1.289 1.443 1.00 1.16 H new ATOM 0 HE1 PHE B 222 3.598 0.692 5.053 1.00 1.24 H new ATOM 0 HE2 PHE B 222 2.792 0.189 0.898 1.00 1.16 H new ATOM 0 HZ PHE B 222 4.141 1.182 2.702 1.00 0.12 H new ATOM 1320 N LYS B 223 -1.418 -4.447 5.397 1.00 0.10 N ATOM 1321 CA LYS B 223 -2.612 -5.250 5.610 1.00 0.11 C ATOM 1322 C LYS B 223 -3.006 -5.249 7.080 1.00 0.12 C ATOM 1323 O LYS B 223 -4.189 -5.257 7.410 1.00 0.14 O ATOM 1324 CB LYS B 223 -2.416 -6.686 5.125 1.00 0.12 C ATOM 1325 CG LYS B 223 -3.701 -7.494 5.163 1.00 0.13 C ATOM 1326 CD LYS B 223 -3.498 -8.915 4.674 1.00 0.20 C ATOM 1327 CE LYS B 223 -4.815 -9.666 4.628 1.00 0.24 C ATOM 1328 NZ LYS B 223 -4.637 -11.091 4.254 1.00 0.35 N ATOM 0 H LYS B 223 -0.597 -4.973 5.096 1.00 0.10 H new ATOM 0 HA LYS B 223 -3.415 -4.800 5.026 1.00 0.11 H new ATOM 0 HB2 LYS B 223 -2.030 -6.672 4.106 1.00 0.12 H new ATOM 0 HB3 LYS B 223 -1.664 -7.176 5.744 1.00 0.12 H new ATOM 0 HG2 LYS B 223 -4.086 -7.514 6.183 1.00 0.13 H new ATOM 0 HG3 LYS B 223 -4.455 -7.004 4.547 1.00 0.13 H new ATOM 0 HD2 LYS B 223 -3.048 -8.901 3.681 1.00 0.20 H new ATOM 0 HD3 LYS B 223 -2.802 -9.434 5.332 1.00 0.20 H new ATOM 0 HE2 LYS B 223 -5.299 -9.606 5.603 1.00 0.24 H new ATOM 0 HE3 LYS B 223 -5.480 -9.185 3.911 1.00 0.24 H new ATOM 0 HZ1 LYS B 223 -5.563 -11.563 4.236 1.00 0.35 H new ATOM 0 HZ2 LYS B 223 -4.199 -11.151 3.313 1.00 0.35 H new ATOM 0 HZ3 LYS B 223 -4.024 -11.559 4.951 1.00 0.35 H new ATOM 1342 N GLU B 224 -2.016 -5.200 7.961 1.00 0.12 N ATOM 1343 CA GLU B 224 -2.273 -5.187 9.395 1.00 0.14 C ATOM 1344 C GLU B 224 -2.815 -3.828 9.802 1.00 0.14 C ATOM 1345 O GLU B 224 -3.637 -3.715 10.713 1.00 0.16 O ATOM 1346 CB GLU B 224 -0.997 -5.493 10.181 1.00 0.17 C ATOM 1347 CG GLU B 224 -0.382 -6.843 9.858 1.00 0.24 C ATOM 1348 CD GLU B 224 0.767 -7.193 10.780 1.00 1.36 C ATOM 1349 OE1 GLU B 224 0.502 -7.725 11.880 1.00 1.92 O ATOM 1350 OE2 GLU B 224 1.937 -6.938 10.419 1.00 2.27 O ATOM 0 H GLU B 224 -1.028 -5.169 7.708 1.00 0.12 H new ATOM 0 HA GLU B 224 -3.008 -5.959 9.623 1.00 0.14 H new ATOM 0 HB2 GLU B 224 -0.263 -4.713 9.980 1.00 0.17 H new ATOM 0 HB3 GLU B 224 -1.221 -5.453 11.247 1.00 0.17 H new ATOM 0 HG2 GLU B 224 -1.149 -7.614 9.930 1.00 0.24 H new ATOM 0 HG3 GLU B 224 -0.028 -6.840 8.827 1.00 0.24 H new ATOM 1357 N ALA B 225 -2.355 -2.800 9.103 1.00 0.14 N ATOM 1358 CA ALA B 225 -2.829 -1.447 9.329 1.00 0.15 C ATOM 1359 C ALA B 225 -4.278 -1.333 8.883 1.00 0.15 C ATOM 1360 O ALA B 225 -5.111 -0.739 9.570 1.00 0.16 O ATOM 1361 CB ALA B 225 -1.957 -0.450 8.583 1.00 0.15 C ATOM 0 H ALA B 225 -1.650 -2.881 8.371 1.00 0.14 H new ATOM 0 HA ALA B 225 -2.769 -1.219 10.393 1.00 0.15 H new ATOM 0 HB1 ALA B 225 -2.325 0.560 8.762 1.00 0.15 H new ATOM 0 HB2 ALA B 225 -0.929 -0.530 8.936 1.00 0.15 H new ATOM 0 HB3 ALA B 225 -1.991 -0.665 7.515 1.00 0.15 H new ATOM 1367 N TRP B 226 -4.568 -1.938 7.737 1.00 0.15 N ATOM 1368 CA TRP B 226 -5.916 -1.980 7.196 1.00 0.16 C ATOM 1369 C TRP B 226 -6.835 -2.757 8.130 1.00 0.17 C ATOM 1370 O TRP B 226 -7.987 -2.384 8.339 1.00 0.19 O ATOM 1371 CB TRP B 226 -5.899 -2.617 5.801 1.00 0.16 C ATOM 1372 CG TRP B 226 -7.258 -2.965 5.283 1.00 0.15 C ATOM 1373 CD1 TRP B 226 -8.228 -2.100 4.867 1.00 0.16 C ATOM 1374 CD2 TRP B 226 -7.799 -4.280 5.131 1.00 0.15 C ATOM 1375 NE1 TRP B 226 -9.340 -2.796 4.467 1.00 0.17 N ATOM 1376 CE2 TRP B 226 -9.101 -4.139 4.619 1.00 0.16 C ATOM 1377 CE3 TRP B 226 -7.306 -5.565 5.378 1.00 0.16 C ATOM 1378 CZ2 TRP B 226 -9.916 -5.234 4.351 1.00 0.17 C ATOM 1379 CZ3 TRP B 226 -8.116 -6.651 5.112 1.00 0.18 C ATOM 1380 CH2 TRP B 226 -9.408 -6.479 4.604 1.00 0.18 C ATOM 0 H TRP B 226 -3.874 -2.412 7.159 1.00 0.15 H new ATOM 0 HA TRP B 226 -6.297 -0.962 7.110 1.00 0.16 H new ATOM 0 HB2 TRP B 226 -5.419 -1.931 5.104 1.00 0.16 H new ATOM 0 HB3 TRP B 226 -5.289 -3.520 5.831 1.00 0.16 H new ATOM 0 HD1 TRP B 226 -8.134 -1.024 4.855 1.00 0.16 H new ATOM 0 HE1 TRP B 226 -10.203 -2.383 4.114 1.00 0.17 H new ATOM 0 HE3 TRP B 226 -6.309 -5.705 5.770 1.00 0.16 H new ATOM 0 HZ2 TRP B 226 -10.914 -5.106 3.957 1.00 0.17 H new ATOM 0 HZ3 TRP B 226 -7.747 -7.648 5.299 1.00 0.18 H new ATOM 0 HH2 TRP B 226 -10.018 -7.348 4.407 1.00 0.18 H new ATOM 1391 N ARG B 227 -6.314 -3.834 8.703 1.00 0.18 N ATOM 1392 CA ARG B 227 -7.071 -4.617 9.664 1.00 0.21 C ATOM 1393 C ARG B 227 -7.371 -3.788 10.905 1.00 0.24 C ATOM 1394 O ARG B 227 -8.435 -3.922 11.509 1.00 0.25 O ATOM 1395 CB ARG B 227 -6.317 -5.890 10.052 1.00 0.24 C ATOM 1396 CG ARG B 227 -6.213 -6.911 8.928 1.00 0.27 C ATOM 1397 CD ARG B 227 -7.580 -7.338 8.424 1.00 0.38 C ATOM 1398 NE ARG B 227 -8.405 -7.929 9.476 1.00 0.98 N ATOM 1399 CZ ARG B 227 -9.713 -8.156 9.360 1.00 1.26 C ATOM 1400 NH1 ARG B 227 -10.350 -7.854 8.233 1.00 0.71 N ATOM 1401 NH2 ARG B 227 -10.383 -8.692 10.370 1.00 2.25 N ATOM 0 H ARG B 227 -5.373 -4.182 8.518 1.00 0.18 H new ATOM 0 HA ARG B 227 -8.012 -4.906 9.195 1.00 0.21 H new ATOM 0 HB2 ARG B 227 -5.313 -5.621 10.379 1.00 0.24 H new ATOM 0 HB3 ARG B 227 -6.817 -6.351 10.904 1.00 0.24 H new ATOM 0 HG2 ARG B 227 -5.638 -6.487 8.104 1.00 0.27 H new ATOM 0 HG3 ARG B 227 -5.667 -7.786 9.281 1.00 0.27 H new ATOM 0 HD2 ARG B 227 -8.095 -6.474 8.005 1.00 0.38 H new ATOM 0 HD3 ARG B 227 -7.457 -8.059 7.615 1.00 0.38 H new ATOM 0 HE ARG B 227 -7.951 -8.183 10.353 1.00 0.98 H new ATOM 0 HH11 ARG B 227 -9.837 -7.446 7.451 1.00 0.71 H new ATOM 0 HH12 ARG B 227 -11.351 -8.030 8.150 1.00 0.71 H new ATOM 0 HH21 ARG B 227 -9.897 -8.930 11.235 1.00 2.25 H new ATOM 0 HH22 ARG B 227 -11.384 -8.866 10.283 1.00 2.25 H new ATOM 1415 N SER B 228 -6.440 -2.914 11.272 1.00 0.28 N ATOM 1416 CA SER B 228 -6.614 -2.048 12.426 1.00 0.33 C ATOM 1417 C SER B 228 -7.546 -0.876 12.102 1.00 0.36 C ATOM 1418 O SER B 228 -7.916 -0.102 12.987 1.00 0.40 O ATOM 1419 CB SER B 228 -5.249 -1.530 12.895 1.00 0.36 C ATOM 1420 OG SER B 228 -5.350 -0.813 14.114 1.00 1.18 O ATOM 0 H SER B 228 -5.554 -2.788 10.782 1.00 0.28 H new ATOM 0 HA SER B 228 -7.073 -2.628 13.227 1.00 0.33 H new ATOM 0 HB2 SER B 228 -4.566 -2.369 13.022 1.00 0.36 H new ATOM 0 HB3 SER B 228 -4.822 -0.885 12.128 1.00 0.36 H new ATOM 0 HG SER B 228 -6.218 -0.360 14.156 1.00 1.18 H new ATOM 1426 N SER B 229 -7.923 -0.747 10.835 1.00 0.34 N ATOM 1427 CA SER B 229 -8.869 0.280 10.424 1.00 0.37 C ATOM 1428 C SER B 229 -10.278 -0.129 10.845 1.00 0.38 C ATOM 1429 O SER B 229 -11.195 0.693 10.895 1.00 0.42 O ATOM 1430 CB SER B 229 -8.797 0.496 8.906 1.00 0.34 C ATOM 1431 OG SER B 229 -9.631 1.563 8.484 1.00 0.93 O ATOM 0 H SER B 229 -7.588 -1.341 10.076 1.00 0.34 H new ATOM 0 HA SER B 229 -8.613 1.221 10.911 1.00 0.37 H new ATOM 0 HB2 SER B 229 -7.767 0.704 8.617 1.00 0.34 H new ATOM 0 HB3 SER B 229 -9.092 -0.420 8.394 1.00 0.34 H new ATOM 0 HG SER B 229 -9.557 1.671 7.513 1.00 0.93 H new ATOM 1437 N PHE B 230 -10.436 -1.409 11.153 1.00 0.36 N ATOM 1438 CA PHE B 230 -11.704 -1.928 11.632 1.00 0.38 C ATOM 1439 C PHE B 230 -11.692 -2.008 13.151 1.00 0.51 C ATOM 1440 O PHE B 230 -12.132 -1.038 13.800 1.00 1.21 O ATOM 1441 CB PHE B 230 -11.989 -3.306 11.035 1.00 0.31 C ATOM 1442 CG PHE B 230 -12.003 -3.323 9.535 1.00 0.30 C ATOM 1443 CD1 PHE B 230 -12.962 -2.614 8.829 1.00 1.21 C ATOM 1444 CD2 PHE B 230 -11.054 -4.044 8.832 1.00 1.21 C ATOM 1445 CE1 PHE B 230 -12.975 -2.626 7.448 1.00 1.22 C ATOM 1446 CE2 PHE B 230 -11.062 -4.060 7.452 1.00 1.27 C ATOM 1447 CZ PHE B 230 -12.024 -3.351 6.759 1.00 0.47 C ATOM 1448 OXT PHE B 230 -11.217 -3.025 13.694 1.00 1.23 O ATOM 0 H PHE B 230 -9.697 -2.108 11.078 1.00 0.36 H new ATOM 0 HA PHE B 230 -12.496 -1.249 11.315 1.00 0.38 H new ATOM 0 HB2 PHE B 230 -11.235 -4.009 11.390 1.00 0.31 H new ATOM 0 HB3 PHE B 230 -12.953 -3.659 11.402 1.00 0.31 H new ATOM 0 HD1 PHE B 230 -13.708 -2.046 9.365 1.00 1.21 H new ATOM 0 HD2 PHE B 230 -10.299 -4.600 9.369 1.00 1.21 H new ATOM 0 HE1 PHE B 230 -13.727 -2.070 6.909 1.00 1.22 H new ATOM 0 HE2 PHE B 230 -10.316 -4.627 6.914 1.00 1.27 H new ATOM 0 HZ PHE B 230 -12.032 -3.364 5.679 1.00 0.47 H new