USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=16 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 24:sc= 0.202 USER MOD Single : A 194 THR OG1 : rot -91:sc= 1.46 USER MOD Single : A 202 GLN : amide:sc= 0.394 K(o=0.39,f=-3.8!) USER MOD Single : A 207 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 210 LYS NZ :NH3+ 169:sc= -0.015 (180deg=-0.146) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 216 ASN :FLIP amide:sc=-0.00395 F(o=-0.91,f=-0.0039) USER MOD Single : A 217 LYS NZ :NH3+ 164:sc= 0.84 (180deg=0.451) USER MOD Single : A 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 228 SER OG : rot -26:sc= 0.21 USER MOD Single : A 229 SER OG : rot 60:sc= 0.799 USER MOD Single : B 190 SER OG : rot 24:sc= 0.171 USER MOD Single : B 194 THR OG1 : rot -46:sc= 1.49 USER MOD Single : B 202 GLN : amide:sc= 0.356 K(o=0.36,f=-3.7!) USER MOD Single : B 207 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 210 LYS NZ :NH3+ 170:sc=-0.00793 (180deg=-0.136) USER MOD Single : B 212 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : B 217 LYS NZ :NH3+ 173:sc= 0.682 (180deg=0.389) USER MOD Single : B 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 228 SER OG : rot -32:sc= 0.295 USER MOD Single : B 229 SER OG : rot 59:sc= 0.78 USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 190 14.039 4.191 0.302 1.00 0.39 N ATOM 49 CA SER A 190 14.235 5.508 -0.291 1.00 0.43 C ATOM 50 C SER A 190 13.033 5.949 -1.119 1.00 0.37 C ATOM 51 O SER A 190 12.524 7.053 -0.937 1.00 0.39 O ATOM 52 CB SER A 190 15.491 5.496 -1.157 1.00 0.55 C ATOM 53 OG SER A 190 16.597 5.000 -0.422 1.00 1.24 O ATOM 0 HA SER A 190 14.350 6.226 0.521 1.00 0.43 H new ATOM 0 HB2 SER A 190 15.326 4.877 -2.039 1.00 0.55 H new ATOM 0 HB3 SER A 190 15.705 6.504 -1.511 1.00 0.55 H new ATOM 0 HG SER A 190 16.275 4.441 0.316 1.00 1.24 H new ATOM 59 N VAL A 191 12.573 5.088 -2.021 1.00 0.35 N ATOM 60 CA VAL A 191 11.426 5.422 -2.852 1.00 0.30 C ATOM 61 C VAL A 191 10.146 5.454 -2.026 1.00 0.25 C ATOM 62 O VAL A 191 9.259 6.254 -2.284 1.00 0.25 O ATOM 63 CB VAL A 191 11.261 4.451 -4.041 1.00 0.30 C ATOM 64 CG1 VAL A 191 11.015 3.028 -3.568 1.00 0.35 C ATOM 65 CG2 VAL A 191 10.139 4.916 -4.955 1.00 0.31 C ATOM 0 H VAL A 191 12.972 4.165 -2.193 1.00 0.35 H new ATOM 0 HA VAL A 191 11.614 6.415 -3.259 1.00 0.30 H new ATOM 0 HB VAL A 191 12.193 4.453 -4.605 1.00 0.30 H new ATOM 0 HG11 VAL A 191 10.904 2.372 -4.431 1.00 0.35 H new ATOM 0 HG12 VAL A 191 11.859 2.694 -2.965 1.00 0.35 H new ATOM 0 HG13 VAL A 191 10.105 2.996 -2.968 1.00 0.35 H new ATOM 0 HG21 VAL A 191 10.036 4.220 -5.788 1.00 0.31 H new ATOM 0 HG22 VAL A 191 9.205 4.952 -4.395 1.00 0.31 H new ATOM 0 HG23 VAL A 191 10.370 5.910 -5.339 1.00 0.31 H new ATOM 75 N VAL A 192 10.066 4.609 -1.009 1.00 0.24 N ATOM 76 CA VAL A 192 8.896 4.574 -0.140 1.00 0.21 C ATOM 77 C VAL A 192 8.807 5.870 0.656 1.00 0.20 C ATOM 78 O VAL A 192 7.752 6.247 1.159 1.00 0.20 O ATOM 79 CB VAL A 192 8.948 3.381 0.837 1.00 0.20 C ATOM 80 CG1 VAL A 192 7.641 3.253 1.606 1.00 0.17 C ATOM 81 CG2 VAL A 192 9.258 2.094 0.096 1.00 0.23 C ATOM 0 H VAL A 192 10.795 3.939 -0.764 1.00 0.24 H new ATOM 0 HA VAL A 192 8.016 4.459 -0.773 1.00 0.21 H new ATOM 0 HB VAL A 192 9.748 3.566 1.554 1.00 0.20 H new ATOM 0 HG11 VAL A 192 7.702 2.405 2.288 1.00 0.17 H new ATOM 0 HG12 VAL A 192 7.463 4.165 2.176 1.00 0.17 H new ATOM 0 HG13 VAL A 192 6.821 3.097 0.906 1.00 0.17 H new ATOM 0 HG21 VAL A 192 9.290 1.265 0.804 1.00 0.23 H new ATOM 0 HG22 VAL A 192 8.483 1.907 -0.647 1.00 0.23 H new ATOM 0 HG23 VAL A 192 10.224 2.184 -0.401 1.00 0.23 H new ATOM 91 N ALA A 193 9.930 6.562 0.749 1.00 0.22 N ATOM 92 CA ALA A 193 10.009 7.812 1.472 1.00 0.22 C ATOM 93 C ALA A 193 9.704 9.002 0.570 1.00 0.22 C ATOM 94 O ALA A 193 9.936 10.149 0.953 1.00 0.24 O ATOM 95 CB ALA A 193 11.386 7.962 2.099 1.00 0.24 C ATOM 0 H ALA A 193 10.810 6.270 0.324 1.00 0.22 H new ATOM 0 HA ALA A 193 9.255 7.794 2.259 1.00 0.22 H new ATOM 0 HB1 ALA A 193 11.438 8.906 2.642 1.00 0.24 H new ATOM 0 HB2 ALA A 193 11.564 7.137 2.788 1.00 0.24 H new ATOM 0 HB3 ALA A 193 12.145 7.951 1.317 1.00 0.24 H new ATOM 101 N THR A 194 9.181 8.741 -0.623 1.00 0.22 N ATOM 102 CA THR A 194 8.934 9.810 -1.575 1.00 0.23 C ATOM 103 C THR A 194 7.444 10.074 -1.698 1.00 0.22 C ATOM 104 O THR A 194 6.617 9.184 -1.484 1.00 0.20 O ATOM 105 CB THR A 194 9.497 9.496 -2.977 1.00 0.24 C ATOM 106 OG1 THR A 194 8.775 8.414 -3.574 1.00 0.24 O ATOM 107 CG2 THR A 194 10.974 9.147 -2.904 1.00 0.26 C ATOM 0 H THR A 194 8.924 7.809 -0.948 1.00 0.22 H new ATOM 0 HA THR A 194 9.448 10.691 -1.190 1.00 0.23 H new ATOM 0 HB THR A 194 9.380 10.388 -3.592 1.00 0.24 H new ATOM 0 HG1 THR A 194 9.212 7.566 -3.350 1.00 0.24 H new ATOM 0 HG21 THR A 194 11.346 8.930 -3.905 1.00 0.26 H new ATOM 0 HG22 THR A 194 11.526 9.988 -2.486 1.00 0.26 H new ATOM 0 HG23 THR A 194 11.110 8.272 -2.269 1.00 0.26 H new ATOM 115 N GLU A 195 7.114 11.305 -2.038 1.00 0.26 N ATOM 116 CA GLU A 195 5.734 11.691 -2.269 1.00 0.26 C ATOM 117 C GLU A 195 5.201 10.977 -3.503 1.00 0.20 C ATOM 118 O GLU A 195 4.019 10.655 -3.587 1.00 0.19 O ATOM 119 CB GLU A 195 5.624 13.202 -2.435 1.00 0.36 C ATOM 120 CG GLU A 195 6.084 13.974 -1.211 1.00 0.83 C ATOM 121 CD GLU A 195 5.893 15.466 -1.357 1.00 1.69 C ATOM 122 OE1 GLU A 195 6.820 16.143 -1.851 1.00 2.46 O ATOM 123 OE2 GLU A 195 4.814 15.971 -0.979 1.00 2.22 O ATOM 0 H GLU A 195 7.788 12.061 -2.161 1.00 0.26 H new ATOM 0 HA GLU A 195 5.135 11.400 -1.406 1.00 0.26 H new ATOM 0 HB2 GLU A 195 6.218 13.511 -3.295 1.00 0.36 H new ATOM 0 HB3 GLU A 195 4.588 13.463 -2.653 1.00 0.36 H new ATOM 0 HG2 GLU A 195 5.533 13.625 -0.338 1.00 0.83 H new ATOM 0 HG3 GLU A 195 7.138 13.763 -1.028 1.00 0.83 H new ATOM 130 N ALA A 196 6.096 10.749 -4.455 1.00 0.21 N ATOM 131 CA ALA A 196 5.774 10.039 -5.684 1.00 0.21 C ATOM 132 C ALA A 196 5.282 8.622 -5.409 1.00 0.17 C ATOM 133 O ALA A 196 4.336 8.153 -6.046 1.00 0.17 O ATOM 134 CB ALA A 196 6.992 10.004 -6.592 1.00 0.26 C ATOM 0 H ALA A 196 7.068 11.052 -4.396 1.00 0.21 H new ATOM 0 HA ALA A 196 4.964 10.576 -6.178 1.00 0.21 H new ATOM 0 HB1 ALA A 196 6.746 9.471 -7.511 1.00 0.26 H new ATOM 0 HB2 ALA A 196 7.295 11.023 -6.833 1.00 0.26 H new ATOM 0 HB3 ALA A 196 7.810 9.493 -6.084 1.00 0.26 H new ATOM 140 N PHE A 197 5.915 7.944 -4.455 1.00 0.14 N ATOM 141 CA PHE A 197 5.533 6.578 -4.115 1.00 0.12 C ATOM 142 C PHE A 197 4.107 6.545 -3.599 1.00 0.11 C ATOM 143 O PHE A 197 3.287 5.767 -4.071 1.00 0.11 O ATOM 144 CB PHE A 197 6.474 6.000 -3.055 1.00 0.10 C ATOM 145 CG PHE A 197 6.033 4.669 -2.501 1.00 0.10 C ATOM 146 CD1 PHE A 197 6.371 3.489 -3.139 1.00 0.17 C ATOM 147 CD2 PHE A 197 5.274 4.602 -1.342 1.00 0.14 C ATOM 148 CE1 PHE A 197 5.961 2.270 -2.635 1.00 0.22 C ATOM 149 CE2 PHE A 197 4.864 3.386 -0.833 1.00 0.15 C ATOM 150 CZ PHE A 197 5.208 2.218 -1.481 1.00 0.17 C ATOM 0 H PHE A 197 6.690 8.316 -3.907 1.00 0.14 H new ATOM 0 HA PHE A 197 5.605 5.971 -5.018 1.00 0.12 H new ATOM 0 HB2 PHE A 197 7.468 5.890 -3.488 1.00 0.10 H new ATOM 0 HB3 PHE A 197 6.561 6.712 -2.234 1.00 0.10 H new ATOM 0 HD1 PHE A 197 6.963 3.521 -4.042 1.00 0.17 H new ATOM 0 HD2 PHE A 197 5.000 5.513 -0.831 1.00 0.14 H new ATOM 0 HE1 PHE A 197 6.230 1.357 -3.145 1.00 0.22 H new ATOM 0 HE2 PHE A 197 4.275 3.349 0.071 1.00 0.15 H new ATOM 0 HZ PHE A 197 4.888 1.265 -1.086 1.00 0.17 H new ATOM 160 N TRP A 198 3.827 7.402 -2.636 1.00 0.11 N ATOM 161 CA TRP A 198 2.514 7.459 -2.019 1.00 0.11 C ATOM 162 C TRP A 198 1.467 7.997 -2.986 1.00 0.12 C ATOM 163 O TRP A 198 0.289 7.657 -2.885 1.00 0.13 O ATOM 164 CB TRP A 198 2.573 8.268 -0.727 1.00 0.11 C ATOM 165 CG TRP A 198 3.452 7.607 0.285 1.00 0.11 C ATOM 166 CD1 TRP A 198 4.682 8.019 0.703 1.00 0.12 C ATOM 167 CD2 TRP A 198 3.183 6.381 0.973 1.00 0.12 C ATOM 168 NE1 TRP A 198 5.192 7.127 1.613 1.00 0.13 N ATOM 169 CE2 TRP A 198 4.291 6.113 1.797 1.00 0.13 C ATOM 170 CE3 TRP A 198 2.112 5.485 0.972 1.00 0.14 C ATOM 171 CZ2 TRP A 198 4.357 4.986 2.613 1.00 0.16 C ATOM 172 CZ3 TRP A 198 2.177 4.368 1.781 1.00 0.16 C ATOM 173 CH2 TRP A 198 3.293 4.126 2.590 1.00 0.17 C ATOM 0 H TRP A 198 4.497 8.074 -2.261 1.00 0.11 H new ATOM 0 HA TRP A 198 2.207 6.445 -1.763 1.00 0.11 H new ATOM 0 HB2 TRP A 198 2.947 9.270 -0.939 1.00 0.11 H new ATOM 0 HB3 TRP A 198 1.568 8.383 -0.320 1.00 0.11 H new ATOM 0 HD1 TRP A 198 5.182 8.916 0.368 1.00 0.12 H new ATOM 0 HE1 TRP A 198 6.097 7.207 2.077 1.00 0.13 H new ATOM 0 HE3 TRP A 198 1.248 5.663 0.349 1.00 0.14 H new ATOM 0 HZ2 TRP A 198 5.216 4.798 3.240 1.00 0.16 H new ATOM 0 HZ3 TRP A 198 1.353 3.670 1.790 1.00 0.16 H new ATOM 0 HH2 TRP A 198 3.315 3.242 3.209 1.00 0.17 H new ATOM 184 N ASP A 199 1.901 8.828 -3.920 1.00 0.13 N ATOM 185 CA ASP A 199 1.020 9.332 -4.966 1.00 0.16 C ATOM 186 C ASP A 199 0.508 8.187 -5.830 1.00 0.14 C ATOM 187 O ASP A 199 -0.698 8.034 -6.025 1.00 0.15 O ATOM 188 CB ASP A 199 1.751 10.355 -5.840 1.00 0.21 C ATOM 189 CG ASP A 199 0.912 10.824 -7.012 1.00 0.30 C ATOM 190 OD1 ASP A 199 0.042 11.699 -6.814 1.00 1.01 O ATOM 191 OD2 ASP A 199 1.127 10.329 -8.138 1.00 1.23 O ATOM 0 H ASP A 199 2.860 9.170 -3.977 1.00 0.13 H new ATOM 0 HA ASP A 199 0.171 9.821 -4.488 1.00 0.16 H new ATOM 0 HB2 ASP A 199 2.030 11.215 -5.231 1.00 0.21 H new ATOM 0 HB3 ASP A 199 2.676 9.914 -6.213 1.00 0.21 H new ATOM 196 N ASP A 200 1.427 7.371 -6.328 1.00 0.16 N ATOM 197 CA ASP A 200 1.057 6.240 -7.171 1.00 0.18 C ATOM 198 C ASP A 200 0.407 5.131 -6.357 1.00 0.14 C ATOM 199 O ASP A 200 -0.448 4.407 -6.861 1.00 0.15 O ATOM 200 CB ASP A 200 2.261 5.696 -7.937 1.00 0.24 C ATOM 201 CG ASP A 200 2.614 6.543 -9.142 1.00 0.55 C ATOM 202 OD1 ASP A 200 1.794 6.624 -10.080 1.00 1.37 O ATOM 203 OD2 ASP A 200 3.724 7.116 -9.166 1.00 1.12 O ATOM 0 H ASP A 200 2.429 7.469 -6.165 1.00 0.16 H new ATOM 0 HA ASP A 200 0.329 6.606 -7.895 1.00 0.18 H new ATOM 0 HB2 ASP A 200 3.120 5.646 -7.268 1.00 0.24 H new ATOM 0 HB3 ASP A 200 2.050 4.677 -8.262 1.00 0.24 H new ATOM 208 N LEU A 201 0.832 4.985 -5.108 1.00 0.12 N ATOM 209 CA LEU A 201 0.226 4.027 -4.189 1.00 0.11 C ATOM 210 C LEU A 201 -1.259 4.351 -4.034 1.00 0.12 C ATOM 211 O LEU A 201 -2.120 3.478 -4.168 1.00 0.13 O ATOM 212 CB LEU A 201 0.954 4.094 -2.831 1.00 0.11 C ATOM 213 CG LEU A 201 0.750 2.919 -1.856 1.00 0.11 C ATOM 214 CD1 LEU A 201 -0.652 2.915 -1.269 1.00 0.18 C ATOM 215 CD2 LEU A 201 1.046 1.593 -2.539 1.00 0.13 C ATOM 0 H LEU A 201 1.600 5.522 -4.705 1.00 0.12 H new ATOM 0 HA LEU A 201 0.320 3.014 -4.580 1.00 0.11 H new ATOM 0 HB2 LEU A 201 2.022 4.187 -3.026 1.00 0.11 H new ATOM 0 HB3 LEU A 201 0.641 5.008 -2.326 1.00 0.11 H new ATOM 0 HG LEU A 201 1.453 3.051 -1.034 1.00 0.11 H new ATOM 0 HD11 LEU A 201 -0.758 2.072 -0.586 1.00 0.18 H new ATOM 0 HD12 LEU A 201 -0.822 3.845 -0.726 1.00 0.18 H new ATOM 0 HD13 LEU A 201 -1.383 2.825 -2.073 1.00 0.18 H new ATOM 0 HD21 LEU A 201 0.895 0.778 -1.831 1.00 0.13 H new ATOM 0 HD22 LEU A 201 0.376 1.464 -3.389 1.00 0.13 H new ATOM 0 HD23 LEU A 201 2.079 1.585 -2.887 1.00 0.13 H new ATOM 227 N GLN A 202 -1.554 5.624 -3.802 1.00 0.11 N ATOM 228 CA GLN A 202 -2.930 6.077 -3.715 1.00 0.12 C ATOM 229 C GLN A 202 -3.610 5.955 -5.071 1.00 0.12 C ATOM 230 O GLN A 202 -4.799 5.685 -5.147 1.00 0.13 O ATOM 231 CB GLN A 202 -3.008 7.517 -3.215 1.00 0.15 C ATOM 232 CG GLN A 202 -4.416 8.086 -3.256 1.00 0.21 C ATOM 233 CD GLN A 202 -4.506 9.480 -2.682 1.00 0.25 C ATOM 234 OE1 GLN A 202 -3.537 10.232 -2.690 1.00 0.71 O ATOM 235 NE2 GLN A 202 -5.681 9.839 -2.196 1.00 0.40 N ATOM 0 H GLN A 202 -0.857 6.358 -3.671 1.00 0.11 H new ATOM 0 HA GLN A 202 -3.449 5.442 -2.997 1.00 0.12 H new ATOM 0 HB2 GLN A 202 -2.634 7.561 -2.192 1.00 0.15 H new ATOM 0 HB3 GLN A 202 -2.352 8.142 -3.821 1.00 0.15 H new ATOM 0 HG2 GLN A 202 -4.766 8.101 -4.288 1.00 0.21 H new ATOM 0 HG3 GLN A 202 -5.085 7.427 -2.702 1.00 0.21 H new ATOM 0 HE21 GLN A 202 -6.461 9.182 -2.209 1.00 0.40 H new ATOM 0 HE22 GLN A 202 -5.808 10.774 -1.808 1.00 0.40 H new ATOM 244 N GLY A 203 -2.841 6.152 -6.136 1.00 0.14 N ATOM 245 CA GLY A 203 -3.369 5.988 -7.478 1.00 0.16 C ATOM 246 C GLY A 203 -3.862 4.576 -7.723 1.00 0.15 C ATOM 247 O GLY A 203 -4.915 4.373 -8.329 1.00 0.15 O ATOM 0 H GLY A 203 -1.859 6.423 -6.094 1.00 0.14 H new ATOM 0 HA2 GLY A 203 -4.188 6.691 -7.634 1.00 0.16 H new ATOM 0 HA3 GLY A 203 -2.595 6.234 -8.205 1.00 0.16 H new ATOM 251 N PHE A 204 -3.115 3.601 -7.218 1.00 0.15 N ATOM 252 CA PHE A 204 -3.495 2.202 -7.332 1.00 0.17 C ATOM 253 C PHE A 204 -4.744 1.947 -6.509 1.00 0.17 C ATOM 254 O PHE A 204 -5.637 1.208 -6.920 1.00 0.18 O ATOM 255 CB PHE A 204 -2.356 1.291 -6.855 1.00 0.20 C ATOM 256 CG PHE A 204 -2.763 -0.151 -6.716 1.00 0.22 C ATOM 257 CD1 PHE A 204 -2.883 -0.965 -7.828 1.00 1.19 C ATOM 258 CD2 PHE A 204 -3.048 -0.685 -5.469 1.00 1.24 C ATOM 259 CE1 PHE A 204 -3.274 -2.283 -7.700 1.00 1.20 C ATOM 260 CE2 PHE A 204 -3.444 -2.000 -5.336 1.00 1.26 C ATOM 261 CZ PHE A 204 -3.558 -2.800 -6.452 1.00 0.31 C ATOM 0 H PHE A 204 -2.237 3.758 -6.723 1.00 0.15 H new ATOM 0 HA PHE A 204 -3.698 1.977 -8.379 1.00 0.17 H new ATOM 0 HB2 PHE A 204 -1.526 1.361 -7.558 1.00 0.20 H new ATOM 0 HB3 PHE A 204 -1.990 1.652 -5.894 1.00 0.20 H new ATOM 0 HD1 PHE A 204 -2.668 -0.565 -8.808 1.00 1.19 H new ATOM 0 HD2 PHE A 204 -2.959 -0.064 -4.590 1.00 1.24 H new ATOM 0 HE1 PHE A 204 -3.358 -2.909 -8.576 1.00 1.20 H new ATOM 0 HE2 PHE A 204 -3.664 -2.402 -4.358 1.00 1.26 H new ATOM 0 HZ PHE A 204 -3.869 -3.829 -6.351 1.00 0.31 H new ATOM 271 N LEU A 205 -4.803 2.583 -5.350 1.00 0.16 N ATOM 272 CA LEU A 205 -5.947 2.453 -4.464 1.00 0.17 C ATOM 273 C LEU A 205 -7.190 3.065 -5.101 1.00 0.17 C ATOM 274 O LEU A 205 -8.286 2.535 -4.970 1.00 0.19 O ATOM 275 CB LEU A 205 -5.649 3.119 -3.118 1.00 0.17 C ATOM 276 CG LEU A 205 -5.021 2.222 -2.042 1.00 0.17 C ATOM 277 CD1 LEU A 205 -3.970 1.294 -2.626 1.00 0.18 C ATOM 278 CD2 LEU A 205 -4.400 3.079 -0.954 1.00 0.15 C ATOM 0 H LEU A 205 -4.068 3.197 -5.000 1.00 0.16 H new ATOM 0 HA LEU A 205 -6.138 1.393 -4.294 1.00 0.17 H new ATOM 0 HB2 LEU A 205 -4.981 3.962 -3.294 1.00 0.17 H new ATOM 0 HB3 LEU A 205 -6.580 3.526 -2.724 1.00 0.17 H new ATOM 0 HG LEU A 205 -5.814 1.605 -1.619 1.00 0.17 H new ATOM 0 HD11 LEU A 205 -3.549 0.676 -1.833 1.00 0.18 H new ATOM 0 HD12 LEU A 205 -4.428 0.654 -3.380 1.00 0.18 H new ATOM 0 HD13 LEU A 205 -3.177 1.885 -3.084 1.00 0.18 H new ATOM 0 HD21 LEU A 205 -3.956 2.436 -0.194 1.00 0.15 H new ATOM 0 HD22 LEU A 205 -3.628 3.715 -1.388 1.00 0.15 H new ATOM 0 HD23 LEU A 205 -5.169 3.702 -0.498 1.00 0.15 H new ATOM 290 N GLU A 206 -7.014 4.180 -5.798 1.00 0.17 N ATOM 291 CA GLU A 206 -8.109 4.824 -6.511 1.00 0.19 C ATOM 292 C GLU A 206 -8.646 3.920 -7.609 1.00 0.21 C ATOM 293 O GLU A 206 -9.852 3.736 -7.739 1.00 0.24 O ATOM 294 CB GLU A 206 -7.654 6.149 -7.128 1.00 0.21 C ATOM 295 CG GLU A 206 -7.345 7.239 -6.117 1.00 0.23 C ATOM 296 CD GLU A 206 -6.943 8.538 -6.782 1.00 0.30 C ATOM 297 OE1 GLU A 206 -7.840 9.281 -7.238 1.00 1.13 O ATOM 298 OE2 GLU A 206 -5.729 8.822 -6.867 1.00 1.12 O ATOM 0 H GLU A 206 -6.118 4.659 -5.885 1.00 0.17 H new ATOM 0 HA GLU A 206 -8.901 5.019 -5.787 1.00 0.19 H new ATOM 0 HB2 GLU A 206 -6.765 5.968 -7.732 1.00 0.21 H new ATOM 0 HB3 GLU A 206 -8.431 6.507 -7.804 1.00 0.21 H new ATOM 0 HG2 GLU A 206 -8.220 7.409 -5.490 1.00 0.23 H new ATOM 0 HG3 GLU A 206 -6.542 6.906 -5.460 1.00 0.23 H new ATOM 305 N GLN A 207 -7.747 3.373 -8.412 1.00 0.22 N ATOM 306 CA GLN A 207 -8.133 2.527 -9.534 1.00 0.26 C ATOM 307 C GLN A 207 -8.782 1.225 -9.072 1.00 0.26 C ATOM 308 O GLN A 207 -9.755 0.762 -9.664 1.00 0.27 O ATOM 309 CB GLN A 207 -6.912 2.232 -10.398 1.00 0.34 C ATOM 310 CG GLN A 207 -6.279 3.491 -10.958 1.00 0.41 C ATOM 311 CD GLN A 207 -5.049 3.219 -11.795 1.00 0.54 C ATOM 312 OE1 GLN A 207 -4.330 2.248 -11.570 1.00 0.80 O ATOM 313 NE2 GLN A 207 -4.794 4.083 -12.764 1.00 1.13 N ATOM 0 H GLN A 207 -6.740 3.500 -8.308 1.00 0.22 H new ATOM 0 HA GLN A 207 -8.876 3.067 -10.121 1.00 0.26 H new ATOM 0 HB2 GLN A 207 -6.174 1.691 -9.806 1.00 0.34 H new ATOM 0 HB3 GLN A 207 -7.202 1.578 -11.221 1.00 0.34 H new ATOM 0 HG2 GLN A 207 -7.014 4.020 -11.565 1.00 0.41 H new ATOM 0 HG3 GLN A 207 -6.011 4.152 -10.134 1.00 0.41 H new ATOM 0 HE21 GLN A 207 -5.417 4.876 -12.917 1.00 1.13 H new ATOM 0 HE22 GLN A 207 -3.975 3.956 -13.358 1.00 1.13 H new ATOM 322 N ARG A 208 -8.236 0.632 -8.025 1.00 0.29 N ATOM 323 CA ARG A 208 -8.737 -0.643 -7.533 1.00 0.35 C ATOM 324 C ARG A 208 -10.025 -0.473 -6.718 1.00 0.36 C ATOM 325 O ARG A 208 -11.006 -1.182 -6.940 1.00 0.41 O ATOM 326 CB ARG A 208 -7.661 -1.329 -6.689 1.00 0.40 C ATOM 327 CG ARG A 208 -7.832 -2.834 -6.575 1.00 0.71 C ATOM 328 CD ARG A 208 -7.666 -3.520 -7.921 1.00 0.48 C ATOM 329 NE ARG A 208 -7.794 -4.972 -7.820 1.00 1.25 N ATOM 330 CZ ARG A 208 -6.838 -5.837 -8.162 1.00 1.28 C ATOM 331 NH1 ARG A 208 -5.675 -5.408 -8.631 1.00 1.59 N ATOM 332 NH2 ARG A 208 -7.055 -7.139 -8.047 1.00 1.97 N ATOM 0 H ARG A 208 -7.448 1.010 -7.499 1.00 0.29 H new ATOM 0 HA ARG A 208 -8.977 -1.266 -8.395 1.00 0.35 H new ATOM 0 HB2 ARG A 208 -6.684 -1.116 -7.122 1.00 0.40 H new ATOM 0 HB3 ARG A 208 -7.667 -0.896 -5.689 1.00 0.40 H new ATOM 0 HG2 ARG A 208 -7.101 -3.231 -5.871 1.00 0.71 H new ATOM 0 HG3 ARG A 208 -8.819 -3.059 -6.171 1.00 0.71 H new ATOM 0 HD2 ARG A 208 -8.414 -3.139 -8.616 1.00 0.48 H new ATOM 0 HD3 ARG A 208 -6.689 -3.271 -8.336 1.00 0.48 H new ATOM 0 HE ARG A 208 -8.673 -5.349 -7.464 1.00 1.25 H new ATOM 0 HH11 ARG A 208 -5.504 -4.408 -8.733 1.00 1.59 H new ATOM 0 HH12 ARG A 208 -4.951 -6.078 -8.890 1.00 1.59 H new ATOM 0 HH21 ARG A 208 -7.951 -7.478 -7.698 1.00 1.97 H new ATOM 0 HH22 ARG A 208 -6.326 -7.803 -8.308 1.00 1.97 H new ATOM 346 N LEU A 209 -10.017 0.466 -5.781 1.00 0.33 N ATOM 347 CA LEU A 209 -11.152 0.663 -4.875 1.00 0.36 C ATOM 348 C LEU A 209 -12.244 1.503 -5.514 1.00 0.39 C ATOM 349 O LEU A 209 -13.411 1.416 -5.132 1.00 0.45 O ATOM 350 CB LEU A 209 -10.705 1.351 -3.578 1.00 0.32 C ATOM 351 CG LEU A 209 -9.996 0.475 -2.539 1.00 0.33 C ATOM 352 CD1 LEU A 209 -8.841 -0.298 -3.149 1.00 0.33 C ATOM 353 CD2 LEU A 209 -9.493 1.339 -1.397 1.00 0.38 C ATOM 0 H LEU A 209 -9.238 1.106 -5.625 1.00 0.33 H new ATOM 0 HA LEU A 209 -11.548 -0.328 -4.653 1.00 0.36 H new ATOM 0 HB2 LEU A 209 -10.038 2.172 -3.842 1.00 0.32 H new ATOM 0 HB3 LEU A 209 -11.584 1.792 -3.107 1.00 0.32 H new ATOM 0 HG LEU A 209 -10.719 -0.249 -2.163 1.00 0.33 H new ATOM 0 HD11 LEU A 209 -8.364 -0.907 -2.381 1.00 0.33 H new ATOM 0 HD12 LEU A 209 -9.215 -0.944 -3.944 1.00 0.33 H new ATOM 0 HD13 LEU A 209 -8.113 0.401 -3.562 1.00 0.33 H new ATOM 0 HD21 LEU A 209 -8.990 0.712 -0.661 1.00 0.38 H new ATOM 0 HD22 LEU A 209 -8.792 2.080 -1.782 1.00 0.38 H new ATOM 0 HD23 LEU A 209 -10.335 1.846 -0.926 1.00 0.38 H new ATOM 365 N LYS A 210 -11.844 2.297 -6.504 1.00 0.35 N ATOM 366 CA LYS A 210 -12.730 3.255 -7.155 1.00 0.40 C ATOM 367 C LYS A 210 -13.286 4.245 -6.137 1.00 0.38 C ATOM 368 O LYS A 210 -14.453 4.638 -6.197 1.00 0.41 O ATOM 369 CB LYS A 210 -13.858 2.537 -7.905 1.00 0.49 C ATOM 370 CG LYS A 210 -13.370 1.731 -9.100 1.00 0.91 C ATOM 371 CD LYS A 210 -12.701 2.624 -10.135 1.00 1.06 C ATOM 372 CE LYS A 210 -12.171 1.822 -11.311 1.00 1.62 C ATOM 373 NZ LYS A 210 -13.252 1.108 -12.036 1.00 2.19 N ATOM 0 H LYS A 210 -10.895 2.293 -6.877 1.00 0.35 H new ATOM 0 HA LYS A 210 -12.151 3.815 -7.889 1.00 0.40 H new ATOM 0 HB2 LYS A 210 -14.378 1.872 -7.215 1.00 0.49 H new ATOM 0 HB3 LYS A 210 -14.585 3.274 -8.246 1.00 0.49 H new ATOM 0 HG2 LYS A 210 -12.666 0.970 -8.764 1.00 0.91 H new ATOM 0 HG3 LYS A 210 -14.211 1.209 -9.557 1.00 0.91 H new ATOM 0 HD2 LYS A 210 -13.416 3.365 -10.493 1.00 1.06 H new ATOM 0 HD3 LYS A 210 -11.881 3.171 -9.669 1.00 1.06 H new ATOM 0 HE2 LYS A 210 -11.653 2.489 -12.000 1.00 1.62 H new ATOM 0 HE3 LYS A 210 -11.437 1.100 -10.954 1.00 1.62 H new ATOM 0 HZ1 LYS A 210 -12.879 0.729 -12.930 1.00 2.19 H new ATOM 0 HZ2 LYS A 210 -13.605 0.325 -11.449 1.00 2.19 H new ATOM 0 HZ3 LYS A 210 -14.030 1.768 -12.237 1.00 2.19 H new ATOM 387 N ASP A 211 -12.426 4.661 -5.212 1.00 0.34 N ATOM 388 CA ASP A 211 -12.822 5.558 -4.137 1.00 0.34 C ATOM 389 C ASP A 211 -11.618 6.365 -3.668 1.00 0.31 C ATOM 390 O ASP A 211 -10.703 5.823 -3.052 1.00 0.31 O ATOM 391 CB ASP A 211 -13.395 4.763 -2.965 1.00 0.37 C ATOM 392 CG ASP A 211 -14.105 5.648 -1.964 1.00 0.40 C ATOM 393 OD1 ASP A 211 -13.432 6.329 -1.167 1.00 1.06 O ATOM 394 OD2 ASP A 211 -15.352 5.670 -1.974 1.00 1.12 O ATOM 0 H ASP A 211 -11.444 4.387 -5.188 1.00 0.34 H new ATOM 0 HA ASP A 211 -13.589 6.235 -4.512 1.00 0.34 H new ATOM 0 HB2 ASP A 211 -14.091 4.014 -3.343 1.00 0.37 H new ATOM 0 HB3 ASP A 211 -12.589 4.226 -2.465 1.00 0.37 H new ATOM 399 N TYR A 212 -11.621 7.653 -3.973 1.00 0.30 N ATOM 400 CA TYR A 212 -10.510 8.532 -3.633 1.00 0.29 C ATOM 401 C TYR A 212 -10.391 8.724 -2.127 1.00 0.30 C ATOM 402 O TYR A 212 -9.283 8.806 -1.591 1.00 0.29 O ATOM 403 CB TYR A 212 -10.680 9.887 -4.327 1.00 0.32 C ATOM 404 CG TYR A 212 -9.683 10.934 -3.884 1.00 0.37 C ATOM 405 CD1 TYR A 212 -8.384 10.939 -4.372 1.00 1.12 C ATOM 406 CD2 TYR A 212 -10.043 11.916 -2.970 1.00 1.35 C ATOM 407 CE1 TYR A 212 -7.472 11.894 -3.963 1.00 1.14 C ATOM 408 CE2 TYR A 212 -9.138 12.873 -2.556 1.00 1.42 C ATOM 409 CZ TYR A 212 -7.854 12.858 -3.055 1.00 0.60 C ATOM 410 OH TYR A 212 -6.949 13.809 -2.642 1.00 0.74 O ATOM 0 H TYR A 212 -12.387 8.118 -4.460 1.00 0.30 H new ATOM 0 HA TYR A 212 -9.591 8.061 -3.983 1.00 0.29 H new ATOM 0 HB2 TYR A 212 -10.589 9.746 -5.404 1.00 0.32 H new ATOM 0 HB3 TYR A 212 -11.688 10.257 -4.138 1.00 0.32 H new ATOM 0 HD1 TYR A 212 -8.081 10.185 -5.083 1.00 1.12 H new ATOM 0 HD2 TYR A 212 -11.049 11.931 -2.576 1.00 1.35 H new ATOM 0 HE1 TYR A 212 -6.465 11.885 -4.353 1.00 1.14 H new ATOM 0 HE2 TYR A 212 -9.435 13.629 -1.845 1.00 1.42 H new ATOM 0 HH TYR A 212 -7.379 14.414 -2.002 1.00 0.74 H new ATOM 420 N ASP A 213 -11.528 8.784 -1.449 1.00 0.34 N ATOM 421 CA ASP A 213 -11.545 9.029 -0.010 1.00 0.37 C ATOM 422 C ASP A 213 -10.869 7.893 0.736 1.00 0.32 C ATOM 423 O ASP A 213 -9.976 8.117 1.553 1.00 0.29 O ATOM 424 CB ASP A 213 -12.977 9.200 0.505 1.00 0.49 C ATOM 425 CG ASP A 213 -13.614 10.497 0.057 1.00 1.15 C ATOM 426 OD1 ASP A 213 -13.396 11.534 0.716 1.00 2.01 O ATOM 427 OD2 ASP A 213 -14.349 10.487 -0.951 1.00 1.63 O ATOM 0 H ASP A 213 -12.450 8.667 -1.869 1.00 0.34 H new ATOM 0 HA ASP A 213 -10.996 9.953 0.171 1.00 0.37 H new ATOM 0 HB2 ASP A 213 -13.585 8.364 0.158 1.00 0.49 H new ATOM 0 HB3 ASP A 213 -12.973 9.161 1.594 1.00 0.49 H new ATOM 432 N GLU A 214 -11.276 6.671 0.429 1.00 0.34 N ATOM 433 CA GLU A 214 -10.727 5.500 1.089 1.00 0.34 C ATOM 434 C GLU A 214 -9.289 5.270 0.646 1.00 0.25 C ATOM 435 O GLU A 214 -8.465 4.769 1.407 1.00 0.25 O ATOM 436 CB GLU A 214 -11.576 4.268 0.788 1.00 0.43 C ATOM 437 CG GLU A 214 -11.358 3.138 1.777 1.00 0.56 C ATOM 438 CD GLU A 214 -11.674 3.552 3.201 1.00 0.74 C ATOM 439 OE1 GLU A 214 -12.871 3.708 3.533 1.00 1.24 O ATOM 440 OE2 GLU A 214 -10.733 3.730 3.996 1.00 1.48 O ATOM 0 H GLU A 214 -11.986 6.466 -0.274 1.00 0.34 H new ATOM 0 HA GLU A 214 -10.739 5.673 2.165 1.00 0.34 H new ATOM 0 HB2 GLU A 214 -12.629 4.550 0.794 1.00 0.43 H new ATOM 0 HB3 GLU A 214 -11.347 3.913 -0.217 1.00 0.43 H new ATOM 0 HG2 GLU A 214 -11.984 2.290 1.500 1.00 0.56 H new ATOM 0 HG3 GLU A 214 -10.323 2.802 1.720 1.00 0.56 H new ATOM 447 N ALA A 215 -8.987 5.672 -0.582 1.00 0.20 N ATOM 448 CA ALA A 215 -7.638 5.551 -1.106 1.00 0.17 C ATOM 449 C ALA A 215 -6.700 6.460 -0.326 1.00 0.15 C ATOM 450 O ALA A 215 -5.552 6.115 -0.049 1.00 0.15 O ATOM 451 CB ALA A 215 -7.610 5.908 -2.585 1.00 0.16 C ATOM 0 H ALA A 215 -9.658 6.083 -1.230 1.00 0.20 H new ATOM 0 HA ALA A 215 -7.306 4.519 -0.995 1.00 0.17 H new ATOM 0 HB1 ALA A 215 -6.592 5.813 -2.963 1.00 0.16 H new ATOM 0 HB2 ALA A 215 -8.266 5.233 -3.135 1.00 0.16 H new ATOM 0 HB3 ALA A 215 -7.952 6.934 -2.718 1.00 0.16 H new ATOM 457 N ASN A 216 -7.218 7.625 0.034 1.00 0.17 N ATOM 458 CA ASN A 216 -6.473 8.596 0.818 1.00 0.18 C ATOM 459 C ASN A 216 -6.285 8.093 2.242 1.00 0.18 C ATOM 460 O ASN A 216 -5.182 8.137 2.784 1.00 0.18 O ATOM 461 CB ASN A 216 -7.215 9.933 0.828 1.00 0.22 C ATOM 462 CG ASN A 216 -6.437 11.043 1.511 1.00 0.33 C ATOM 463 OD1 ASN A 216 -5.119 11.020 1.387 1.00 0.63 O flip ATOM 464 ND2 ASN A 216 -7.022 11.926 2.135 1.00 0.35 N flip ATOM 0 H ASN A 216 -8.163 7.922 -0.209 1.00 0.17 H new ATOM 0 HA ASN A 216 -5.491 8.736 0.366 1.00 0.18 H new ATOM 0 HB2 ASN A 216 -7.432 10.229 -0.198 1.00 0.22 H new ATOM 0 HB3 ASN A 216 -8.173 9.806 1.332 1.00 0.22 H new ATOM 0 HD21 ASN A 216 -8.039 11.910 2.209 1.00 0.35 H new ATOM 0 HD22 ASN A 216 -6.490 12.675 2.579 1.00 0.35 H new ATOM 471 N LYS A 217 -7.369 7.592 2.825 1.00 0.19 N ATOM 472 CA LYS A 217 -7.345 7.066 4.185 1.00 0.19 C ATOM 473 C LYS A 217 -6.346 5.924 4.308 1.00 0.17 C ATOM 474 O LYS A 217 -5.607 5.835 5.290 1.00 0.18 O ATOM 475 CB LYS A 217 -8.737 6.577 4.582 1.00 0.22 C ATOM 476 CG LYS A 217 -9.763 7.690 4.730 1.00 0.27 C ATOM 477 CD LYS A 217 -11.183 7.142 4.744 1.00 0.37 C ATOM 478 CE LYS A 217 -11.395 6.139 5.866 1.00 1.17 C ATOM 479 NZ LYS A 217 -12.689 5.421 5.731 1.00 1.99 N ATOM 0 H LYS A 217 -8.282 7.539 2.373 1.00 0.19 H new ATOM 0 HA LYS A 217 -7.038 7.869 4.855 1.00 0.19 H new ATOM 0 HB2 LYS A 217 -9.090 5.869 3.833 1.00 0.22 H new ATOM 0 HB3 LYS A 217 -8.666 6.035 5.525 1.00 0.22 H new ATOM 0 HG2 LYS A 217 -9.575 8.239 5.652 1.00 0.27 H new ATOM 0 HG3 LYS A 217 -9.654 8.399 3.909 1.00 0.27 H new ATOM 0 HD2 LYS A 217 -11.888 7.965 4.856 1.00 0.37 H new ATOM 0 HD3 LYS A 217 -11.397 6.666 3.787 1.00 0.37 H new ATOM 0 HE2 LYS A 217 -10.578 5.417 5.867 1.00 1.17 H new ATOM 0 HE3 LYS A 217 -11.365 6.656 6.825 1.00 1.17 H new ATOM 0 HZ1 LYS A 217 -12.681 4.575 6.336 1.00 1.99 H new ATOM 0 HZ2 LYS A 217 -13.466 6.048 6.022 1.00 1.99 H new ATOM 0 HZ3 LYS A 217 -12.826 5.137 4.740 1.00 1.99 H new ATOM 493 N LEU A 218 -6.312 5.071 3.296 1.00 0.16 N ATOM 494 CA LEU A 218 -5.401 3.940 3.292 1.00 0.15 C ATOM 495 C LEU A 218 -3.975 4.410 3.059 1.00 0.13 C ATOM 496 O LEU A 218 -3.042 3.869 3.629 1.00 0.14 O ATOM 497 CB LEU A 218 -5.803 2.909 2.241 1.00 0.16 C ATOM 498 CG LEU A 218 -7.050 2.089 2.573 1.00 0.17 C ATOM 499 CD1 LEU A 218 -7.351 1.116 1.449 1.00 0.20 C ATOM 500 CD2 LEU A 218 -6.871 1.341 3.887 1.00 0.20 C ATOM 0 H LEU A 218 -6.904 5.141 2.469 1.00 0.16 H new ATOM 0 HA LEU A 218 -5.457 3.460 4.269 1.00 0.15 H new ATOM 0 HB2 LEU A 218 -5.969 3.425 1.295 1.00 0.16 H new ATOM 0 HB3 LEU A 218 -4.968 2.225 2.089 1.00 0.16 H new ATOM 0 HG LEU A 218 -7.892 2.773 2.682 1.00 0.17 H new ATOM 0 HD11 LEU A 218 -8.241 0.538 1.697 1.00 0.20 H new ATOM 0 HD12 LEU A 218 -7.523 1.669 0.525 1.00 0.20 H new ATOM 0 HD13 LEU A 218 -6.505 0.441 1.316 1.00 0.20 H new ATOM 0 HD21 LEU A 218 -7.771 0.765 4.103 1.00 0.20 H new ATOM 0 HD22 LEU A 218 -6.018 0.667 3.809 1.00 0.20 H new ATOM 0 HD23 LEU A 218 -6.696 2.055 4.691 1.00 0.20 H new ATOM 512 N ARG A 219 -3.815 5.422 2.212 1.00 0.13 N ATOM 513 CA ARG A 219 -2.501 5.999 1.948 1.00 0.13 C ATOM 514 C ARG A 219 -1.881 6.524 3.241 1.00 0.12 C ATOM 515 O ARG A 219 -0.699 6.310 3.508 1.00 0.12 O ATOM 516 CB ARG A 219 -2.604 7.140 0.935 1.00 0.13 C ATOM 517 CG ARG A 219 -1.259 7.582 0.379 1.00 0.19 C ATOM 518 CD ARG A 219 -1.352 8.951 -0.272 1.00 0.17 C ATOM 519 NE ARG A 219 -1.427 10.022 0.724 1.00 0.54 N ATOM 520 CZ ARG A 219 -1.729 11.289 0.440 1.00 0.79 C ATOM 521 NH1 ARG A 219 -2.052 11.644 -0.799 1.00 0.61 N ATOM 522 NH2 ARG A 219 -1.727 12.196 1.405 1.00 1.29 N ATOM 0 H ARG A 219 -4.579 5.860 1.697 1.00 0.13 H new ATOM 0 HA ARG A 219 -1.866 5.215 1.535 1.00 0.13 H new ATOM 0 HB2 ARG A 219 -3.244 6.826 0.110 1.00 0.13 H new ATOM 0 HB3 ARG A 219 -3.090 7.993 1.409 1.00 0.13 H new ATOM 0 HG2 ARG A 219 -0.522 7.608 1.182 1.00 0.19 H new ATOM 0 HG3 ARG A 219 -0.908 6.853 -0.351 1.00 0.19 H new ATOM 0 HD2 ARG A 219 -0.484 9.109 -0.911 1.00 0.17 H new ATOM 0 HD3 ARG A 219 -2.232 8.989 -0.914 1.00 0.17 H new ATOM 0 HE ARG A 219 -1.236 9.783 1.697 1.00 0.54 H new ATOM 0 HH11 ARG A 219 -2.070 10.945 -1.541 1.00 0.61 H new ATOM 0 HH12 ARG A 219 -2.282 12.616 -1.008 1.00 0.61 H new ATOM 0 HH21 ARG A 219 -1.495 11.924 2.360 1.00 1.29 H new ATOM 0 HH22 ARG A 219 -1.957 13.167 1.193 1.00 1.29 H new ATOM 536 N VAL A 220 -2.701 7.186 4.052 1.00 0.13 N ATOM 537 CA VAL A 220 -2.237 7.755 5.314 1.00 0.14 C ATOM 538 C VAL A 220 -1.954 6.637 6.308 1.00 0.14 C ATOM 539 O VAL A 220 -0.924 6.623 6.975 1.00 0.15 O ATOM 540 CB VAL A 220 -3.275 8.725 5.920 1.00 0.16 C ATOM 541 CG1 VAL A 220 -2.783 9.284 7.248 1.00 0.19 C ATOM 542 CG2 VAL A 220 -3.589 9.851 4.948 1.00 0.16 C ATOM 0 H VAL A 220 -3.690 7.342 3.858 1.00 0.13 H new ATOM 0 HA VAL A 220 -1.326 8.317 5.109 1.00 0.14 H new ATOM 0 HB VAL A 220 -4.193 8.167 6.106 1.00 0.16 H new ATOM 0 HG11 VAL A 220 -3.531 9.964 7.656 1.00 0.19 H new ATOM 0 HG12 VAL A 220 -2.617 8.465 7.948 1.00 0.19 H new ATOM 0 HG13 VAL A 220 -1.848 9.823 7.092 1.00 0.19 H new ATOM 0 HG21 VAL A 220 -4.322 10.523 5.394 1.00 0.16 H new ATOM 0 HG22 VAL A 220 -2.677 10.405 4.726 1.00 0.16 H new ATOM 0 HG23 VAL A 220 -3.993 9.433 4.026 1.00 0.16 H new ATOM 552 N LEU A 221 -2.879 5.691 6.361 1.00 0.13 N ATOM 553 CA LEU A 221 -2.784 4.546 7.253 1.00 0.13 C ATOM 554 C LEU A 221 -1.496 3.768 7.004 1.00 0.11 C ATOM 555 O LEU A 221 -0.723 3.490 7.924 1.00 0.12 O ATOM 556 CB LEU A 221 -3.990 3.635 7.023 1.00 0.15 C ATOM 557 CG LEU A 221 -3.979 2.317 7.788 1.00 0.16 C ATOM 558 CD1 LEU A 221 -4.192 2.555 9.276 1.00 0.20 C ATOM 559 CD2 LEU A 221 -5.039 1.386 7.230 1.00 0.26 C ATOM 0 H LEU A 221 -3.720 5.696 5.784 1.00 0.13 H new ATOM 0 HA LEU A 221 -2.773 4.900 8.284 1.00 0.13 H new ATOM 0 HB2 LEU A 221 -4.893 4.183 7.293 1.00 0.15 H new ATOM 0 HB3 LEU A 221 -4.058 3.415 5.958 1.00 0.15 H new ATOM 0 HG LEU A 221 -3.003 1.847 7.663 1.00 0.16 H new ATOM 0 HD11 LEU A 221 -4.180 1.601 9.802 1.00 0.20 H new ATOM 0 HD12 LEU A 221 -3.395 3.191 9.661 1.00 0.20 H new ATOM 0 HD13 LEU A 221 -5.154 3.044 9.432 1.00 0.20 H new ATOM 0 HD21 LEU A 221 -5.025 0.446 7.782 1.00 0.26 H new ATOM 0 HD22 LEU A 221 -6.020 1.850 7.329 1.00 0.26 H new ATOM 0 HD23 LEU A 221 -4.835 1.192 6.177 1.00 0.26 H new ATOM 571 N PHE A 222 -1.268 3.445 5.742 1.00 0.10 N ATOM 572 CA PHE A 222 -0.113 2.664 5.343 1.00 0.10 C ATOM 573 C PHE A 222 1.168 3.458 5.552 1.00 0.10 C ATOM 574 O PHE A 222 2.189 2.905 5.955 1.00 0.11 O ATOM 575 CB PHE A 222 -0.233 2.244 3.873 1.00 0.10 C ATOM 576 CG PHE A 222 -1.404 1.342 3.568 1.00 0.10 C ATOM 577 CD1 PHE A 222 -2.144 0.751 4.583 1.00 1.16 C ATOM 578 CD2 PHE A 222 -1.761 1.083 2.252 1.00 1.23 C ATOM 579 CE1 PHE A 222 -3.212 -0.074 4.292 1.00 1.15 C ATOM 580 CE2 PHE A 222 -2.829 0.257 1.957 1.00 1.25 C ATOM 581 CZ PHE A 222 -3.555 -0.322 2.978 1.00 0.12 C ATOM 0 H PHE A 222 -1.876 3.716 4.969 1.00 0.10 H new ATOM 0 HA PHE A 222 -0.076 1.769 5.964 1.00 0.10 H new ATOM 0 HB2 PHE A 222 -0.313 3.141 3.259 1.00 0.10 H new ATOM 0 HB3 PHE A 222 0.685 1.736 3.578 1.00 0.10 H new ATOM 0 HD1 PHE A 222 -1.881 0.939 5.613 1.00 1.16 H new ATOM 0 HD2 PHE A 222 -1.197 1.533 1.448 1.00 1.23 H new ATOM 0 HE1 PHE A 222 -3.779 -0.525 5.092 1.00 1.15 H new ATOM 0 HE2 PHE A 222 -3.095 0.065 0.928 1.00 1.25 H new ATOM 0 HZ PHE A 222 -4.390 -0.968 2.749 1.00 0.12 H new ATOM 591 N LYS A 223 1.108 4.759 5.295 1.00 0.10 N ATOM 592 CA LYS A 223 2.273 5.614 5.462 1.00 0.11 C ATOM 593 C LYS A 223 2.669 5.702 6.928 1.00 0.12 C ATOM 594 O LYS A 223 3.852 5.732 7.254 1.00 0.14 O ATOM 595 CB LYS A 223 2.015 7.013 4.903 1.00 0.12 C ATOM 596 CG LYS A 223 3.267 7.872 4.868 1.00 0.13 C ATOM 597 CD LYS A 223 3.001 9.232 4.246 1.00 0.20 C ATOM 598 CE LYS A 223 4.284 10.029 4.102 1.00 0.25 C ATOM 599 NZ LYS A 223 4.039 11.389 3.556 1.00 0.36 N ATOM 0 H LYS A 223 0.269 5.241 4.972 1.00 0.10 H new ATOM 0 HA LYS A 223 3.095 5.168 4.902 1.00 0.11 H new ATOM 0 HB2 LYS A 223 1.610 6.928 3.895 1.00 0.12 H new ATOM 0 HB3 LYS A 223 1.257 7.508 5.510 1.00 0.12 H new ATOM 0 HG2 LYS A 223 3.646 8.004 5.882 1.00 0.13 H new ATOM 0 HG3 LYS A 223 4.044 7.359 4.301 1.00 0.13 H new ATOM 0 HD2 LYS A 223 2.538 9.103 3.268 1.00 0.20 H new ATOM 0 HD3 LYS A 223 2.293 9.785 4.863 1.00 0.20 H new ATOM 0 HE2 LYS A 223 4.770 10.111 5.074 1.00 0.25 H new ATOM 0 HE3 LYS A 223 4.971 9.494 3.446 1.00 0.25 H new ATOM 0 HZ1 LYS A 223 4.942 11.898 3.474 1.00 0.36 H new ATOM 0 HZ2 LYS A 223 3.599 11.312 2.617 1.00 0.36 H new ATOM 0 HZ3 LYS A 223 3.404 11.910 4.194 1.00 0.36 H new ATOM 613 N GLU A 224 1.677 5.715 7.809 1.00 0.12 N ATOM 614 CA GLU A 224 1.931 5.780 9.243 1.00 0.13 C ATOM 615 C GLU A 224 2.462 4.445 9.739 1.00 0.13 C ATOM 616 O GLU A 224 3.273 4.385 10.664 1.00 0.15 O ATOM 617 CB GLU A 224 0.656 6.151 10.001 1.00 0.16 C ATOM 618 CG GLU A 224 0.178 7.565 9.729 1.00 0.24 C ATOM 619 CD GLU A 224 1.188 8.609 10.150 1.00 1.36 C ATOM 620 OE1 GLU A 224 1.334 8.846 11.368 1.00 1.92 O ATOM 621 OE2 GLU A 224 1.839 9.204 9.271 1.00 2.28 O ATOM 0 H GLU A 224 0.689 5.681 7.556 1.00 0.12 H new ATOM 0 HA GLU A 224 2.678 6.552 9.426 1.00 0.13 H new ATOM 0 HB2 GLU A 224 -0.134 5.451 9.731 1.00 0.16 H new ATOM 0 HB3 GLU A 224 0.832 6.035 11.070 1.00 0.16 H new ATOM 0 HG2 GLU A 224 -0.032 7.676 8.665 1.00 0.24 H new ATOM 0 HG3 GLU A 224 -0.759 7.736 10.259 1.00 0.24 H new ATOM 628 N ALA A 225 2.013 3.377 9.094 1.00 0.13 N ATOM 629 CA ALA A 225 2.482 2.040 9.416 1.00 0.15 C ATOM 630 C ALA A 225 3.949 1.915 9.034 1.00 0.15 C ATOM 631 O ALA A 225 4.759 1.340 9.764 1.00 0.16 O ATOM 632 CB ALA A 225 1.648 0.996 8.690 1.00 0.15 C ATOM 0 H ALA A 225 1.323 3.413 8.343 1.00 0.13 H new ATOM 0 HA ALA A 225 2.377 1.869 10.487 1.00 0.15 H new ATOM 0 HB1 ALA A 225 2.012 -0.000 8.942 1.00 0.15 H new ATOM 0 HB2 ALA A 225 0.605 1.088 8.993 1.00 0.15 H new ATOM 0 HB3 ALA A 225 1.728 1.150 7.614 1.00 0.15 H new ATOM 638 N TRP A 226 4.281 2.488 7.886 1.00 0.15 N ATOM 639 CA TRP A 226 5.646 2.515 7.396 1.00 0.16 C ATOM 640 C TRP A 226 6.516 3.393 8.294 1.00 0.17 C ATOM 641 O TRP A 226 7.661 3.054 8.587 1.00 0.18 O ATOM 642 CB TRP A 226 5.664 3.019 5.949 1.00 0.16 C ATOM 643 CG TRP A 226 7.033 3.326 5.438 1.00 0.16 C ATOM 644 CD1 TRP A 226 8.016 2.434 5.125 1.00 0.17 C ATOM 645 CD2 TRP A 226 7.566 4.625 5.179 1.00 0.16 C ATOM 646 NE1 TRP A 226 9.134 3.102 4.691 1.00 0.17 N ATOM 647 CE2 TRP A 226 8.881 4.451 4.714 1.00 0.17 C ATOM 648 CE3 TRP A 226 7.056 5.919 5.297 1.00 0.17 C ATOM 649 CZ2 TRP A 226 9.692 5.527 4.368 1.00 0.18 C ATOM 650 CZ3 TRP A 226 7.860 6.985 4.954 1.00 0.18 C ATOM 651 CH2 TRP A 226 9.165 6.784 4.495 1.00 0.19 C ATOM 0 H TRP A 226 3.610 2.946 7.270 1.00 0.15 H new ATOM 0 HA TRP A 226 6.056 1.505 7.417 1.00 0.16 H new ATOM 0 HB2 TRP A 226 5.206 2.268 5.306 1.00 0.16 H new ATOM 0 HB3 TRP A 226 5.050 3.917 5.878 1.00 0.16 H new ATOM 0 HD1 TRP A 226 7.928 1.361 5.207 1.00 0.17 H new ATOM 0 HE1 TRP A 226 10.009 2.667 4.399 1.00 0.17 H new ATOM 0 HE3 TRP A 226 6.049 6.082 5.651 1.00 0.17 H new ATOM 0 HZ2 TRP A 226 10.700 5.376 4.012 1.00 0.18 H new ATOM 0 HZ3 TRP A 226 7.476 7.991 5.041 1.00 0.18 H new ATOM 0 HH2 TRP A 226 9.771 7.639 4.235 1.00 0.19 H new ATOM 662 N ARG A 227 5.964 4.518 8.742 1.00 0.18 N ATOM 663 CA ARG A 227 6.669 5.392 9.671 1.00 0.21 C ATOM 664 C ARG A 227 6.967 4.658 10.970 1.00 0.24 C ATOM 665 O ARG A 227 8.044 4.804 11.547 1.00 0.25 O ATOM 666 CB ARG A 227 5.858 6.657 9.973 1.00 0.24 C ATOM 667 CG ARG A 227 5.655 7.573 8.776 1.00 0.27 C ATOM 668 CD ARG A 227 6.970 7.924 8.104 1.00 0.37 C ATOM 669 NE ARG A 227 7.916 8.573 9.009 1.00 0.98 N ATOM 670 CZ ARG A 227 9.132 8.976 8.639 1.00 1.26 C ATOM 671 NH1 ARG A 227 9.534 8.812 7.383 1.00 0.71 N ATOM 672 NH2 ARG A 227 9.943 9.548 9.520 1.00 2.25 N ATOM 0 H ARG A 227 5.034 4.843 8.477 1.00 0.18 H new ATOM 0 HA ARG A 227 7.605 5.686 9.197 1.00 0.21 H new ATOM 0 HB2 ARG A 227 4.882 6.365 10.361 1.00 0.24 H new ATOM 0 HB3 ARG A 227 6.360 7.216 10.762 1.00 0.24 H new ATOM 0 HG2 ARG A 227 4.997 7.088 8.055 1.00 0.27 H new ATOM 0 HG3 ARG A 227 5.156 8.487 9.098 1.00 0.27 H new ATOM 0 HD2 ARG A 227 7.422 7.016 7.705 1.00 0.37 H new ATOM 0 HD3 ARG A 227 6.775 8.582 7.257 1.00 0.37 H new ATOM 0 HE ARG A 227 7.631 8.726 9.976 1.00 0.98 H new ATOM 0 HH11 ARG A 227 8.912 8.378 6.701 1.00 0.71 H new ATOM 0 HH12 ARG A 227 10.464 9.121 7.101 1.00 0.71 H new ATOM 0 HH21 ARG A 227 9.637 9.681 10.484 1.00 2.25 H new ATOM 0 HH22 ARG A 227 10.872 9.855 9.233 1.00 2.25 H new ATOM 686 N SER A 228 6.013 3.849 11.413 1.00 0.28 N ATOM 687 CA SER A 228 6.160 3.086 12.644 1.00 0.33 C ATOM 688 C SER A 228 7.123 1.913 12.454 1.00 0.35 C ATOM 689 O SER A 228 7.474 1.228 13.413 1.00 0.40 O ATOM 690 CB SER A 228 4.790 2.581 13.110 1.00 0.36 C ATOM 691 OG SER A 228 4.863 1.979 14.393 1.00 1.16 O ATOM 0 H SER A 228 5.124 3.705 10.934 1.00 0.28 H new ATOM 0 HA SER A 228 6.579 3.742 13.407 1.00 0.33 H new ATOM 0 HB2 SER A 228 4.085 3.412 13.137 1.00 0.36 H new ATOM 0 HB3 SER A 228 4.404 1.859 12.390 1.00 0.36 H new ATOM 0 HG SER A 228 5.768 1.634 14.541 1.00 1.16 H new ATOM 697 N SER A 229 7.560 1.693 11.220 1.00 0.34 N ATOM 698 CA SER A 229 8.490 0.614 10.926 1.00 0.37 C ATOM 699 C SER A 229 9.927 1.058 11.179 1.00 0.38 C ATOM 700 O SER A 229 10.853 0.248 11.160 1.00 0.42 O ATOM 701 CB SER A 229 8.319 0.150 9.482 1.00 0.34 C ATOM 702 OG SER A 229 7.011 -0.352 9.267 1.00 0.93 O ATOM 0 H SER A 229 7.285 2.247 10.409 1.00 0.34 H new ATOM 0 HA SER A 229 8.271 -0.223 11.589 1.00 0.37 H new ATOM 0 HB2 SER A 229 8.511 0.981 8.803 1.00 0.34 H new ATOM 0 HB3 SER A 229 9.052 -0.624 9.254 1.00 0.34 H new ATOM 0 HG SER A 229 6.356 0.353 9.452 1.00 0.93 H new ATOM 708 N PHE A 230 10.107 2.348 11.415 1.00 0.36 N ATOM 709 CA PHE A 230 11.416 2.878 11.753 1.00 0.39 C ATOM 710 C PHE A 230 11.658 2.763 13.249 1.00 0.52 C ATOM 711 O PHE A 230 12.357 1.819 13.663 1.00 1.20 O ATOM 712 CB PHE A 230 11.557 4.332 11.304 1.00 0.32 C ATOM 713 CG PHE A 230 11.580 4.500 9.813 1.00 0.30 C ATOM 714 CD1 PHE A 230 12.566 3.892 9.055 1.00 1.22 C ATOM 715 CD2 PHE A 230 10.622 5.266 9.172 1.00 1.21 C ATOM 716 CE1 PHE A 230 12.596 4.041 7.683 1.00 1.27 C ATOM 717 CE2 PHE A 230 10.647 5.421 7.801 1.00 1.21 C ATOM 718 CZ PHE A 230 11.635 4.807 7.055 1.00 0.47 C ATOM 719 OXT PHE A 230 11.126 3.600 14.009 1.00 1.24 O ATOM 0 H PHE A 230 9.364 3.045 11.379 1.00 0.36 H new ATOM 0 HA PHE A 230 12.166 2.289 11.225 1.00 0.39 H new ATOM 0 HB2 PHE A 230 10.730 4.912 11.714 1.00 0.32 H new ATOM 0 HB3 PHE A 230 12.475 4.745 11.722 1.00 0.32 H new ATOM 0 HD1 PHE A 230 13.321 3.294 9.543 1.00 1.22 H new ATOM 0 HD2 PHE A 230 9.847 5.747 9.750 1.00 1.21 H new ATOM 0 HE1 PHE A 230 13.369 3.560 7.103 1.00 1.27 H new ATOM 0 HE2 PHE A 230 9.895 6.022 7.311 1.00 1.21 H new ATOM 0 HZ PHE A 230 11.655 4.926 5.982 1.00 0.47 H new ATOM 777 N SER B 190 -14.277 -4.077 0.219 1.00 0.38 N ATOM 778 CA SER B 190 -14.467 -5.413 -0.338 1.00 0.42 C ATOM 779 C SER B 190 -13.250 -5.879 -1.130 1.00 0.37 C ATOM 780 O SER B 190 -12.748 -6.980 -0.909 1.00 0.39 O ATOM 781 CB SER B 190 -15.704 -5.425 -1.232 1.00 0.54 C ATOM 782 OG SER B 190 -16.828 -4.903 -0.546 1.00 1.24 O ATOM 0 HA SER B 190 -14.602 -6.105 0.494 1.00 0.42 H new ATOM 0 HB2 SER B 190 -15.515 -4.836 -2.129 1.00 0.54 H new ATOM 0 HB3 SER B 190 -15.913 -6.444 -1.558 1.00 0.54 H new ATOM 0 HG SER B 190 -16.526 -4.307 0.171 1.00 1.24 H new ATOM 788 N VAL B 191 -12.773 -5.044 -2.049 1.00 0.34 N ATOM 789 CA VAL B 191 -11.615 -5.399 -2.853 1.00 0.29 C ATOM 790 C VAL B 191 -10.348 -5.406 -2.007 1.00 0.24 C ATOM 791 O VAL B 191 -9.461 -6.217 -2.227 1.00 0.24 O ATOM 792 CB VAL B 191 -11.433 -4.463 -4.067 1.00 0.29 C ATOM 793 CG1 VAL B 191 -11.192 -3.027 -3.635 1.00 0.34 C ATOM 794 CG2 VAL B 191 -10.299 -4.954 -4.952 1.00 0.30 C ATOM 0 H VAL B 191 -13.168 -4.126 -2.252 1.00 0.34 H new ATOM 0 HA VAL B 191 -11.797 -6.403 -3.235 1.00 0.29 H new ATOM 0 HB VAL B 191 -12.359 -4.482 -4.642 1.00 0.29 H new ATOM 0 HG11 VAL B 191 -11.069 -2.398 -4.516 1.00 0.34 H new ATOM 0 HG12 VAL B 191 -12.044 -2.674 -3.054 1.00 0.34 H new ATOM 0 HG13 VAL B 191 -10.290 -2.977 -3.024 1.00 0.34 H new ATOM 0 HG21 VAL B 191 -10.185 -4.282 -5.803 1.00 0.30 H new ATOM 0 HG22 VAL B 191 -9.372 -4.974 -4.378 1.00 0.30 H new ATOM 0 HG23 VAL B 191 -10.526 -5.958 -5.310 1.00 0.30 H new ATOM 804 N VAL B 192 -10.284 -4.532 -1.015 1.00 0.23 N ATOM 805 CA VAL B 192 -9.125 -4.474 -0.132 1.00 0.20 C ATOM 806 C VAL B 192 -9.048 -5.748 0.701 1.00 0.19 C ATOM 807 O VAL B 192 -7.999 -6.113 1.223 1.00 0.18 O ATOM 808 CB VAL B 192 -9.188 -3.256 0.810 1.00 0.19 C ATOM 809 CG1 VAL B 192 -7.893 -3.107 1.594 1.00 0.16 C ATOM 810 CG2 VAL B 192 -9.485 -1.991 0.027 1.00 0.22 C ATOM 0 H VAL B 192 -11.016 -3.855 -0.800 1.00 0.23 H new ATOM 0 HA VAL B 192 -8.237 -4.378 -0.757 1.00 0.20 H new ATOM 0 HB VAL B 192 -9.997 -3.420 1.521 1.00 0.19 H new ATOM 0 HG11 VAL B 192 -7.963 -2.240 2.251 1.00 0.16 H new ATOM 0 HG12 VAL B 192 -7.724 -4.003 2.192 1.00 0.16 H new ATOM 0 HG13 VAL B 192 -7.062 -2.971 0.902 1.00 0.16 H new ATOM 0 HG21 VAL B 192 -9.526 -1.142 0.709 1.00 0.22 H new ATOM 0 HG22 VAL B 192 -8.699 -1.827 -0.711 1.00 0.22 H new ATOM 0 HG23 VAL B 192 -10.444 -2.094 -0.481 1.00 0.22 H new ATOM 820 N ALA B 193 -10.172 -6.435 0.799 1.00 0.20 N ATOM 821 CA ALA B 193 -10.260 -7.663 1.559 1.00 0.21 C ATOM 822 C ALA B 193 -9.944 -8.877 0.694 1.00 0.21 C ATOM 823 O ALA B 193 -10.188 -10.015 1.102 1.00 0.23 O ATOM 824 CB ALA B 193 -11.645 -7.793 2.172 1.00 0.23 C ATOM 0 H ALA B 193 -11.046 -6.156 0.354 1.00 0.20 H new ATOM 0 HA ALA B 193 -9.517 -7.624 2.356 1.00 0.21 H new ATOM 0 HB1 ALA B 193 -11.705 -8.720 2.743 1.00 0.23 H new ATOM 0 HB2 ALA B 193 -11.831 -6.947 2.833 1.00 0.23 H new ATOM 0 HB3 ALA B 193 -12.394 -7.806 1.380 1.00 0.23 H new ATOM 830 N THR B 194 -9.404 -8.652 -0.498 1.00 0.21 N ATOM 831 CA THR B 194 -9.145 -9.749 -1.413 1.00 0.22 C ATOM 832 C THR B 194 -7.652 -10.016 -1.509 1.00 0.21 C ATOM 833 O THR B 194 -6.826 -9.122 -1.312 1.00 0.19 O ATOM 834 CB THR B 194 -9.689 -9.477 -2.833 1.00 0.24 C ATOM 835 OG1 THR B 194 -8.959 -8.412 -3.453 1.00 0.23 O ATOM 836 CG2 THR B 194 -11.168 -9.126 -2.790 1.00 0.25 C ATOM 0 H THR B 194 -9.141 -7.731 -0.848 1.00 0.21 H new ATOM 0 HA THR B 194 -9.664 -10.618 -1.008 1.00 0.22 H new ATOM 0 HB THR B 194 -9.563 -10.387 -3.420 1.00 0.24 H new ATOM 0 HG1 THR B 194 -8.857 -7.672 -2.818 1.00 0.23 H new ATOM 0 HG21 THR B 194 -11.527 -8.939 -3.802 1.00 0.25 H new ATOM 0 HG22 THR B 194 -11.726 -9.955 -2.354 1.00 0.25 H new ATOM 0 HG23 THR B 194 -11.312 -8.232 -2.183 1.00 0.25 H new ATOM 844 N GLU B 195 -7.319 -11.259 -1.806 1.00 0.25 N ATOM 845 CA GLU B 195 -5.938 -11.653 -2.009 1.00 0.26 C ATOM 846 C GLU B 195 -5.388 -10.980 -3.255 1.00 0.20 C ATOM 847 O GLU B 195 -4.205 -10.661 -3.333 1.00 0.19 O ATOM 848 CB GLU B 195 -5.832 -13.168 -2.129 1.00 0.36 C ATOM 849 CG GLU B 195 -6.314 -13.902 -0.891 1.00 0.83 C ATOM 850 CD GLU B 195 -6.119 -15.395 -0.994 1.00 1.69 C ATOM 851 OE1 GLU B 195 -5.039 -15.885 -0.600 1.00 2.24 O ATOM 852 OE2 GLU B 195 -7.039 -16.086 -1.478 1.00 2.46 O ATOM 0 H GLU B 195 -7.992 -12.018 -1.912 1.00 0.25 H new ATOM 0 HA GLU B 195 -5.348 -11.336 -1.149 1.00 0.26 H new ATOM 0 HB2 GLU B 195 -6.414 -13.499 -2.989 1.00 0.36 H new ATOM 0 HB3 GLU B 195 -4.794 -13.439 -2.323 1.00 0.36 H new ATOM 0 HG2 GLU B 195 -5.778 -13.528 -0.019 1.00 0.83 H new ATOM 0 HG3 GLU B 195 -7.371 -13.687 -0.733 1.00 0.83 H new ATOM 859 N ALA B 196 -6.268 -10.778 -4.226 1.00 0.21 N ATOM 860 CA ALA B 196 -5.928 -10.104 -5.471 1.00 0.22 C ATOM 861 C ALA B 196 -5.437 -8.679 -5.230 1.00 0.17 C ATOM 862 O ALA B 196 -4.483 -8.229 -5.867 1.00 0.17 O ATOM 863 CB ALA B 196 -7.129 -10.092 -6.398 1.00 0.27 C ATOM 0 H ALA B 196 -7.241 -11.078 -4.172 1.00 0.21 H new ATOM 0 HA ALA B 196 -5.113 -10.658 -5.937 1.00 0.22 H new ATOM 0 HB1 ALA B 196 -6.866 -9.586 -7.327 1.00 0.27 H new ATOM 0 HB2 ALA B 196 -7.431 -11.116 -6.616 1.00 0.27 H new ATOM 0 HB3 ALA B 196 -7.954 -9.565 -5.918 1.00 0.27 H new ATOM 869 N PHE B 197 -6.085 -7.973 -4.306 1.00 0.14 N ATOM 870 CA PHE B 197 -5.706 -6.597 -4.000 1.00 0.12 C ATOM 871 C PHE B 197 -4.287 -6.551 -3.467 1.00 0.11 C ATOM 872 O PHE B 197 -3.460 -5.789 -3.949 1.00 0.12 O ATOM 873 CB PHE B 197 -6.661 -5.987 -2.969 1.00 0.10 C ATOM 874 CG PHE B 197 -6.226 -4.641 -2.449 1.00 0.10 C ATOM 875 CD1 PHE B 197 -6.554 -3.480 -3.127 1.00 0.17 C ATOM 876 CD2 PHE B 197 -5.486 -4.541 -1.280 1.00 0.14 C ATOM 877 CE1 PHE B 197 -6.151 -2.249 -2.653 1.00 0.22 C ATOM 878 CE2 PHE B 197 -5.082 -3.312 -0.802 1.00 0.15 C ATOM 879 CZ PHE B 197 -5.414 -2.163 -1.490 1.00 0.17 C ATOM 0 H PHE B 197 -6.870 -8.329 -3.760 1.00 0.14 H new ATOM 0 HA PHE B 197 -5.766 -6.016 -4.920 1.00 0.12 H new ATOM 0 HB2 PHE B 197 -7.649 -5.889 -3.418 1.00 0.10 H new ATOM 0 HB3 PHE B 197 -6.759 -6.675 -2.129 1.00 0.10 H new ATOM 0 HD1 PHE B 197 -7.132 -3.538 -4.037 1.00 0.17 H new ATOM 0 HD2 PHE B 197 -5.223 -5.437 -0.737 1.00 0.14 H new ATOM 0 HE1 PHE B 197 -6.413 -1.351 -3.193 1.00 0.22 H new ATOM 0 HE2 PHE B 197 -4.506 -3.249 0.110 1.00 0.15 H new ATOM 0 HZ PHE B 197 -5.098 -1.199 -1.119 1.00 0.17 H new ATOM 889 N TRP B 198 -4.023 -7.380 -2.474 1.00 0.10 N ATOM 890 CA TRP B 198 -2.717 -7.422 -1.838 1.00 0.11 C ATOM 891 C TRP B 198 -1.658 -7.990 -2.773 1.00 0.12 C ATOM 892 O TRP B 198 -0.480 -7.656 -2.662 1.00 0.13 O ATOM 893 CB TRP B 198 -2.796 -8.193 -0.522 1.00 0.11 C ATOM 894 CG TRP B 198 -3.690 -7.502 0.459 1.00 0.11 C ATOM 895 CD1 TRP B 198 -4.926 -7.902 0.872 1.00 0.12 C ATOM 896 CD2 TRP B 198 -3.429 -6.258 1.115 1.00 0.12 C ATOM 897 NE1 TRP B 198 -5.448 -6.983 1.749 1.00 0.13 N ATOM 898 CE2 TRP B 198 -4.547 -5.966 1.915 1.00 0.13 C ATOM 899 CE3 TRP B 198 -2.356 -5.364 1.104 1.00 0.13 C ATOM 900 CZ2 TRP B 198 -4.624 -4.815 2.697 1.00 0.15 C ATOM 901 CZ3 TRP B 198 -2.432 -4.223 1.879 1.00 0.16 C ATOM 902 CH2 TRP B 198 -3.558 -3.958 2.666 1.00 0.16 C ATOM 0 H TRP B 198 -4.700 -8.038 -2.088 1.00 0.10 H new ATOM 0 HA TRP B 198 -2.411 -6.401 -1.609 1.00 0.11 H new ATOM 0 HB2 TRP B 198 -3.168 -9.200 -0.710 1.00 0.11 H new ATOM 0 HB3 TRP B 198 -1.797 -8.296 -0.098 1.00 0.11 H new ATOM 0 HD1 TRP B 198 -5.422 -8.808 0.556 1.00 0.12 H new ATOM 0 HE1 TRP B 198 -6.359 -7.048 2.203 1.00 0.13 H new ATOM 0 HE3 TRP B 198 -1.482 -5.561 0.500 1.00 0.13 H new ATOM 0 HZ2 TRP B 198 -5.492 -4.607 3.305 1.00 0.15 H new ATOM 0 HZ3 TRP B 198 -1.609 -3.524 1.877 1.00 0.16 H new ATOM 0 HH2 TRP B 198 -3.586 -3.058 3.262 1.00 0.16 H new ATOM 913 N ASP B 199 -2.081 -8.847 -3.692 1.00 0.13 N ATOM 914 CA ASP B 199 -1.186 -9.383 -4.709 1.00 0.16 C ATOM 915 C ASP B 199 -0.656 -8.264 -5.596 1.00 0.14 C ATOM 916 O ASP B 199 0.553 -8.124 -5.781 1.00 0.14 O ATOM 917 CB ASP B 199 -1.904 -10.428 -5.567 1.00 0.22 C ATOM 918 CG ASP B 199 -1.056 -10.916 -6.727 1.00 0.31 C ATOM 919 OD1 ASP B 199 -0.188 -11.790 -6.508 1.00 0.99 O ATOM 920 OD2 ASP B 199 -1.257 -10.433 -7.863 1.00 1.25 O ATOM 0 H ASP B 199 -3.041 -9.187 -3.754 1.00 0.13 H new ATOM 0 HA ASP B 199 -0.348 -9.862 -4.202 1.00 0.16 H new ATOM 0 HB2 ASP B 199 -2.181 -11.277 -4.942 1.00 0.22 H new ATOM 0 HB3 ASP B 199 -2.830 -10.001 -5.953 1.00 0.22 H new ATOM 925 N ASP B 200 -1.567 -7.459 -6.130 1.00 0.16 N ATOM 926 CA ASP B 200 -1.185 -6.350 -7.000 1.00 0.18 C ATOM 927 C ASP B 200 -0.545 -5.218 -6.208 1.00 0.14 C ATOM 928 O ASP B 200 0.319 -4.512 -6.716 1.00 0.16 O ATOM 929 CB ASP B 200 -2.380 -5.831 -7.796 1.00 0.24 C ATOM 930 CG ASP B 200 -2.719 -6.716 -8.976 1.00 0.55 C ATOM 931 OD1 ASP B 200 -1.892 -6.816 -9.905 1.00 1.37 O ATOM 932 OD2 ASP B 200 -3.817 -7.308 -8.986 1.00 1.12 O ATOM 0 H ASP B 200 -2.571 -7.551 -5.978 1.00 0.16 H new ATOM 0 HA ASP B 200 -0.446 -6.734 -7.704 1.00 0.18 H new ATOM 0 HB2 ASP B 200 -3.247 -5.759 -7.139 1.00 0.24 H new ATOM 0 HB3 ASP B 200 -2.166 -4.823 -8.152 1.00 0.24 H new ATOM 937 N LEU B 201 -0.987 -5.038 -4.970 1.00 0.12 N ATOM 938 CA LEU B 201 -0.392 -4.054 -4.070 1.00 0.11 C ATOM 939 C LEU B 201 1.088 -4.377 -3.881 1.00 0.11 C ATOM 940 O LEU B 201 1.954 -3.510 -4.025 1.00 0.13 O ATOM 941 CB LEU B 201 -1.143 -4.082 -2.722 1.00 0.10 C ATOM 942 CG LEU B 201 -0.951 -2.880 -1.779 1.00 0.10 C ATOM 943 CD1 LEU B 201 0.443 -2.861 -1.172 1.00 0.17 C ATOM 944 CD2 LEU B 201 -1.233 -1.575 -2.505 1.00 0.13 C ATOM 0 H LEU B 201 -1.760 -5.564 -4.563 1.00 0.12 H new ATOM 0 HA LEU B 201 -0.476 -3.053 -4.492 1.00 0.11 H new ATOM 0 HB2 LEU B 201 -2.208 -4.179 -2.932 1.00 0.10 H new ATOM 0 HB3 LEU B 201 -0.841 -4.982 -2.187 1.00 0.10 H new ATOM 0 HG LEU B 201 -1.667 -2.987 -0.964 1.00 0.10 H new ATOM 0 HD11 LEU B 201 0.541 -1.999 -0.512 1.00 0.17 H new ATOM 0 HD12 LEU B 201 0.603 -3.775 -0.600 1.00 0.17 H new ATOM 0 HD13 LEU B 201 1.185 -2.796 -1.967 1.00 0.17 H new ATOM 0 HD21 LEU B 201 -1.091 -0.739 -1.820 1.00 0.13 H new ATOM 0 HD22 LEU B 201 -0.550 -1.473 -3.348 1.00 0.13 H new ATOM 0 HD23 LEU B 201 -2.261 -1.576 -2.869 1.00 0.13 H new ATOM 956 N GLN B 202 1.377 -5.643 -3.610 1.00 0.11 N ATOM 957 CA GLN B 202 2.751 -6.094 -3.491 1.00 0.12 C ATOM 958 C GLN B 202 3.451 -6.010 -4.838 1.00 0.12 C ATOM 959 O GLN B 202 4.640 -5.739 -4.901 1.00 0.13 O ATOM 960 CB GLN B 202 2.818 -7.519 -2.948 1.00 0.15 C ATOM 961 CG GLN B 202 4.226 -8.091 -2.957 1.00 0.21 C ATOM 962 CD GLN B 202 4.308 -9.469 -2.344 1.00 0.25 C ATOM 963 OE1 GLN B 202 3.342 -10.227 -2.349 1.00 0.71 O ATOM 964 NE2 GLN B 202 5.474 -9.809 -1.825 1.00 0.40 N ATOM 0 H GLN B 202 0.678 -6.372 -3.469 1.00 0.11 H new ATOM 0 HA GLN B 202 3.262 -5.439 -2.785 1.00 0.12 H new ATOM 0 HB2 GLN B 202 2.433 -7.532 -1.928 1.00 0.15 H new ATOM 0 HB3 GLN B 202 2.167 -8.160 -3.543 1.00 0.15 H new ATOM 0 HG2 GLN B 202 4.588 -8.134 -3.984 1.00 0.21 H new ATOM 0 HG3 GLN B 202 4.889 -7.418 -2.414 1.00 0.21 H new ATOM 0 HE21 GLN B 202 6.251 -9.149 -1.841 1.00 0.40 H new ATOM 0 HE22 GLN B 202 5.597 -10.732 -1.408 1.00 0.40 H new ATOM 973 N GLY B 203 2.701 -6.238 -5.909 1.00 0.14 N ATOM 974 CA GLY B 203 3.249 -6.114 -7.248 1.00 0.16 C ATOM 975 C GLY B 203 3.747 -4.711 -7.530 1.00 0.15 C ATOM 976 O GLY B 203 4.807 -4.526 -8.128 1.00 0.15 O ATOM 0 H GLY B 203 1.718 -6.508 -5.874 1.00 0.14 H new ATOM 0 HA2 GLY B 203 4.069 -6.821 -7.371 1.00 0.16 H new ATOM 0 HA3 GLY B 203 2.485 -6.381 -7.978 1.00 0.16 H new ATOM 980 N PHE B 204 2.991 -3.721 -7.065 1.00 0.15 N ATOM 981 CA PHE B 204 3.376 -2.326 -7.213 1.00 0.17 C ATOM 982 C PHE B 204 4.614 -2.049 -6.379 1.00 0.17 C ATOM 983 O PHE B 204 5.515 -1.322 -6.798 1.00 0.18 O ATOM 984 CB PHE B 204 2.231 -1.402 -6.780 1.00 0.20 C ATOM 985 CG PHE B 204 2.638 0.043 -6.677 1.00 0.22 C ATOM 986 CD1 PHE B 204 2.775 0.825 -7.811 1.00 1.19 C ATOM 987 CD2 PHE B 204 2.903 0.614 -5.441 1.00 1.24 C ATOM 988 CE1 PHE B 204 3.166 2.146 -7.715 1.00 1.20 C ATOM 989 CE2 PHE B 204 3.297 1.932 -5.340 1.00 1.26 C ATOM 990 CZ PHE B 204 3.429 2.700 -6.477 1.00 0.32 C ATOM 0 H PHE B 204 2.105 -3.863 -6.581 1.00 0.15 H new ATOM 0 HA PHE B 204 3.596 -2.130 -8.262 1.00 0.17 H new ATOM 0 HB2 PHE B 204 1.412 -1.491 -7.493 1.00 0.20 H new ATOM 0 HB3 PHE B 204 1.850 -1.735 -5.814 1.00 0.20 H new ATOM 0 HD1 PHE B 204 2.574 0.397 -8.782 1.00 1.19 H new ATOM 0 HD2 PHE B 204 2.799 0.019 -4.546 1.00 1.24 H new ATOM 0 HE1 PHE B 204 3.266 2.746 -8.607 1.00 1.20 H new ATOM 0 HE2 PHE B 204 3.502 2.362 -4.371 1.00 1.26 H new ATOM 0 HZ PHE B 204 3.737 3.732 -6.400 1.00 0.32 H new ATOM 1000 N LEU B 205 4.653 -2.652 -5.203 1.00 0.16 N ATOM 1001 CA LEU B 205 5.783 -2.499 -4.302 1.00 0.17 C ATOM 1002 C LEU B 205 7.037 -3.129 -4.904 1.00 0.18 C ATOM 1003 O LEU B 205 8.129 -2.593 -4.771 1.00 0.20 O ATOM 1004 CB LEU B 205 5.466 -3.126 -2.943 1.00 0.17 C ATOM 1005 CG LEU B 205 4.824 -2.197 -1.902 1.00 0.17 C ATOM 1006 CD1 LEU B 205 3.782 -1.283 -2.527 1.00 0.18 C ATOM 1007 CD2 LEU B 205 4.187 -3.020 -0.800 1.00 0.15 C ATOM 0 H LEU B 205 3.911 -3.255 -4.848 1.00 0.16 H new ATOM 0 HA LEU B 205 5.971 -1.435 -4.158 1.00 0.17 H new ATOM 0 HB2 LEU B 205 4.800 -3.973 -3.104 1.00 0.17 H new ATOM 0 HB3 LEU B 205 6.391 -3.523 -2.524 1.00 0.17 H new ATOM 0 HG LEU B 205 5.613 -1.570 -1.487 1.00 0.17 H new ATOM 0 HD11 LEU B 205 3.352 -0.642 -1.757 1.00 0.18 H new ATOM 0 HD12 LEU B 205 4.252 -0.666 -3.293 1.00 0.18 H new ATOM 0 HD13 LEU B 205 2.994 -1.885 -2.980 1.00 0.18 H new ATOM 0 HD21 LEU B 205 3.734 -2.355 -0.065 1.00 0.15 H new ATOM 0 HD22 LEU B 205 3.420 -3.667 -1.226 1.00 0.15 H new ATOM 0 HD23 LEU B 205 4.949 -3.631 -0.315 1.00 0.15 H new ATOM 1019 N GLU B 206 6.870 -4.264 -5.571 1.00 0.17 N ATOM 1020 CA GLU B 206 7.974 -4.931 -6.248 1.00 0.20 C ATOM 1021 C GLU B 206 8.531 -4.058 -7.362 1.00 0.22 C ATOM 1022 O GLU B 206 9.737 -3.864 -7.465 1.00 0.25 O ATOM 1023 CB GLU B 206 7.523 -6.272 -6.835 1.00 0.21 C ATOM 1024 CG GLU B 206 7.191 -7.329 -5.796 1.00 0.24 C ATOM 1025 CD GLU B 206 6.791 -8.650 -6.424 1.00 0.30 C ATOM 1026 OE1 GLU B 206 7.691 -9.413 -6.837 1.00 1.14 O ATOM 1027 OE2 GLU B 206 5.577 -8.939 -6.510 1.00 1.12 O ATOM 0 H GLU B 206 5.974 -4.744 -5.658 1.00 0.17 H new ATOM 0 HA GLU B 206 8.754 -5.109 -5.508 1.00 0.20 H new ATOM 0 HB2 GLU B 206 6.646 -6.105 -7.460 1.00 0.21 H new ATOM 0 HB3 GLU B 206 8.310 -6.653 -7.486 1.00 0.21 H new ATOM 0 HG2 GLU B 206 8.055 -7.484 -5.150 1.00 0.24 H new ATOM 0 HG3 GLU B 206 6.380 -6.970 -5.163 1.00 0.24 H new ATOM 1034 N GLN B 207 7.644 -3.537 -8.195 1.00 0.22 N ATOM 1035 CA GLN B 207 8.048 -2.724 -9.335 1.00 0.26 C ATOM 1036 C GLN B 207 8.691 -1.410 -8.900 1.00 0.27 C ATOM 1037 O GLN B 207 9.670 -0.961 -9.495 1.00 0.28 O ATOM 1038 CB GLN B 207 6.841 -2.451 -10.227 1.00 0.35 C ATOM 1039 CG GLN B 207 6.210 -3.721 -10.763 1.00 0.41 C ATOM 1040 CD GLN B 207 4.991 -3.466 -11.621 1.00 0.54 C ATOM 1041 OE1 GLN B 207 4.269 -2.487 -11.430 1.00 0.79 O ATOM 1042 NE2 GLN B 207 4.751 -4.348 -12.572 1.00 1.13 N ATOM 0 H GLN B 207 6.636 -3.662 -8.104 1.00 0.22 H new ATOM 0 HA GLN B 207 8.798 -3.283 -9.894 1.00 0.26 H new ATOM 0 HB2 GLN B 207 6.096 -1.891 -9.662 1.00 0.35 H new ATOM 0 HB3 GLN B 207 7.147 -1.822 -11.063 1.00 0.35 H new ATOM 0 HG2 GLN B 207 6.950 -4.267 -11.348 1.00 0.41 H new ATOM 0 HG3 GLN B 207 5.930 -4.361 -9.926 1.00 0.41 H new ATOM 0 HE21 GLN B 207 5.374 -5.146 -12.697 1.00 1.13 H new ATOM 0 HE22 GLN B 207 3.942 -4.232 -13.182 1.00 1.13 H new ATOM 1051 N ARG B 208 8.130 -0.786 -7.878 1.00 0.29 N ATOM 1052 CA ARG B 208 8.622 0.505 -7.417 1.00 0.35 C ATOM 1053 C ARG B 208 9.898 0.360 -6.579 1.00 0.36 C ATOM 1054 O ARG B 208 10.882 1.064 -6.804 1.00 0.42 O ATOM 1055 CB ARG B 208 7.534 1.216 -6.611 1.00 0.40 C ATOM 1056 CG ARG B 208 7.710 2.724 -6.539 1.00 0.71 C ATOM 1057 CD ARG B 208 7.564 3.374 -7.908 1.00 0.48 C ATOM 1058 NE ARG B 208 7.691 4.829 -7.845 1.00 1.26 N ATOM 1059 CZ ARG B 208 6.738 5.683 -8.223 1.00 1.29 C ATOM 1060 NH1 ARG B 208 5.580 5.238 -8.692 1.00 1.59 N ATOM 1061 NH2 ARG B 208 6.952 6.989 -8.147 1.00 1.98 N ATOM 0 H ARG B 208 7.336 -1.150 -7.352 1.00 0.29 H new ATOM 0 HA ARG B 208 8.873 1.102 -8.293 1.00 0.35 H new ATOM 0 HB2 ARG B 208 6.563 0.994 -7.054 1.00 0.40 H new ATOM 0 HB3 ARG B 208 7.523 0.812 -5.599 1.00 0.40 H new ATOM 0 HG2 ARG B 208 6.972 3.144 -5.856 1.00 0.71 H new ATOM 0 HG3 ARG B 208 8.693 2.957 -6.129 1.00 0.71 H new ATOM 0 HD2 ARG B 208 8.322 2.974 -8.581 1.00 0.48 H new ATOM 0 HD3 ARG B 208 6.593 3.114 -8.330 1.00 0.48 H new ATOM 0 HE ARG B 208 8.565 5.216 -7.489 1.00 1.26 H new ATOM 0 HH11 ARG B 208 5.412 4.235 -8.766 1.00 1.59 H new ATOM 0 HH12 ARG B 208 4.858 5.899 -8.978 1.00 1.59 H new ATOM 0 HH21 ARG B 208 7.844 7.340 -7.800 1.00 1.98 H new ATOM 0 HH22 ARG B 208 6.224 7.643 -8.436 1.00 1.98 H new ATOM 1075 N LEU B 209 9.874 -0.551 -5.615 1.00 0.33 N ATOM 1076 CA LEU B 209 10.994 -0.724 -4.688 1.00 0.36 C ATOM 1077 C LEU B 209 12.093 -1.587 -5.285 1.00 0.39 C ATOM 1078 O LEU B 209 13.253 -1.500 -4.878 1.00 0.45 O ATOM 1079 CB LEU B 209 10.527 -1.371 -3.379 1.00 0.33 C ATOM 1080 CG LEU B 209 9.807 -0.463 -2.376 1.00 0.33 C ATOM 1081 CD1 LEU B 209 8.661 0.293 -3.026 1.00 0.34 C ATOM 1082 CD2 LEU B 209 9.287 -1.295 -1.217 1.00 0.38 C ATOM 0 H LEU B 209 9.092 -1.184 -5.451 1.00 0.33 H new ATOM 0 HA LEU B 209 11.390 0.272 -4.491 1.00 0.36 H new ATOM 0 HB2 LEU B 209 9.861 -2.197 -3.628 1.00 0.33 H new ATOM 0 HB3 LEU B 209 11.397 -1.801 -2.884 1.00 0.33 H new ATOM 0 HG LEU B 209 10.524 0.272 -2.011 1.00 0.33 H new ATOM 0 HD11 LEU B 209 8.175 0.926 -2.283 1.00 0.34 H new ATOM 0 HD12 LEU B 209 9.047 0.913 -3.835 1.00 0.34 H new ATOM 0 HD13 LEU B 209 7.938 -0.417 -3.427 1.00 0.34 H new ATOM 0 HD21 LEU B 209 8.775 -0.647 -0.505 1.00 0.38 H new ATOM 0 HD22 LEU B 209 8.590 -2.045 -1.591 1.00 0.38 H new ATOM 0 HD23 LEU B 209 10.122 -1.791 -0.722 1.00 0.38 H new ATOM 1094 N LYS B 210 11.709 -2.406 -6.258 1.00 0.36 N ATOM 1095 CA LYS B 210 12.605 -3.381 -6.868 1.00 0.40 C ATOM 1096 C LYS B 210 13.149 -4.338 -5.814 1.00 0.38 C ATOM 1097 O LYS B 210 14.318 -4.728 -5.849 1.00 0.42 O ATOM 1098 CB LYS B 210 13.742 -2.687 -7.623 1.00 0.49 C ATOM 1099 CG LYS B 210 13.272 -1.916 -8.848 1.00 0.90 C ATOM 1100 CD LYS B 210 12.617 -2.838 -9.867 1.00 1.06 C ATOM 1101 CE LYS B 210 12.099 -2.072 -11.071 1.00 1.62 C ATOM 1102 NZ LYS B 210 13.188 -1.376 -11.800 1.00 2.19 N ATOM 0 H LYS B 210 10.766 -2.412 -6.646 1.00 0.36 H new ATOM 0 HA LYS B 210 12.035 -3.962 -7.593 1.00 0.40 H new ATOM 0 HB2 LYS B 210 14.253 -2.002 -6.946 1.00 0.49 H new ATOM 0 HB3 LYS B 210 14.473 -3.435 -7.932 1.00 0.49 H new ATOM 0 HG2 LYS B 210 12.564 -1.145 -8.545 1.00 0.90 H new ATOM 0 HG3 LYS B 210 14.120 -1.408 -9.307 1.00 0.90 H new ATOM 0 HD2 LYS B 210 13.338 -3.587 -10.195 1.00 1.06 H new ATOM 0 HD3 LYS B 210 11.793 -3.374 -9.395 1.00 1.06 H new ATOM 0 HE2 LYS B 210 11.592 -2.760 -11.748 1.00 1.62 H new ATOM 0 HE3 LYS B 210 11.358 -1.343 -10.745 1.00 1.62 H new ATOM 0 HZ1 LYS B 210 12.823 -1.009 -12.702 1.00 2.19 H new ATOM 0 HZ2 LYS B 210 13.543 -0.587 -11.223 1.00 2.19 H new ATOM 0 HZ3 LYS B 210 13.963 -2.044 -11.987 1.00 2.19 H new ATOM 1116 N ASP B 211 12.276 -4.727 -4.888 1.00 0.34 N ATOM 1117 CA ASP B 211 12.654 -5.600 -3.786 1.00 0.34 C ATOM 1118 C ASP B 211 11.439 -6.388 -3.314 1.00 0.31 C ATOM 1119 O ASP B 211 10.515 -5.828 -2.724 1.00 0.31 O ATOM 1120 CB ASP B 211 13.218 -4.781 -2.624 1.00 0.37 C ATOM 1121 CG ASP B 211 13.899 -5.647 -1.579 1.00 0.39 C ATOM 1122 OD1 ASP B 211 13.199 -6.276 -0.764 1.00 1.06 O ATOM 1123 OD2 ASP B 211 15.149 -5.687 -1.561 1.00 1.11 O ATOM 0 H ASP B 211 11.295 -4.447 -4.882 1.00 0.34 H new ATOM 0 HA ASP B 211 13.423 -6.290 -4.135 1.00 0.34 H new ATOM 0 HB2 ASP B 211 13.932 -4.053 -3.010 1.00 0.37 H new ATOM 0 HB3 ASP B 211 12.411 -4.218 -2.155 1.00 0.37 H new ATOM 1128 N TYR B 212 11.441 -7.684 -3.582 1.00 0.30 N ATOM 1129 CA TYR B 212 10.323 -8.552 -3.234 1.00 0.29 C ATOM 1130 C TYR B 212 10.181 -8.701 -1.725 1.00 0.30 C ATOM 1131 O TYR B 212 9.065 -8.772 -1.202 1.00 0.29 O ATOM 1132 CB TYR B 212 10.503 -9.928 -3.885 1.00 0.32 C ATOM 1133 CG TYR B 212 9.501 -10.962 -3.421 1.00 0.37 C ATOM 1134 CD1 TYR B 212 8.208 -10.982 -3.925 1.00 1.12 C ATOM 1135 CD2 TYR B 212 9.851 -11.918 -2.475 1.00 1.35 C ATOM 1136 CE1 TYR B 212 7.293 -11.926 -3.500 1.00 1.15 C ATOM 1137 CE2 TYR B 212 8.943 -12.863 -2.047 1.00 1.41 C ATOM 1138 CZ TYR B 212 7.666 -12.864 -2.561 1.00 0.60 C ATOM 1139 OH TYR B 212 6.759 -13.810 -2.135 1.00 0.74 O ATOM 0 H TYR B 212 12.213 -8.164 -4.045 1.00 0.30 H new ATOM 0 HA TYR B 212 9.410 -8.091 -3.612 1.00 0.29 H new ATOM 0 HB2 TYR B 212 10.424 -9.820 -4.967 1.00 0.32 H new ATOM 0 HB3 TYR B 212 11.509 -10.290 -3.673 1.00 0.32 H new ATOM 0 HD1 TYR B 212 7.913 -10.249 -4.661 1.00 1.12 H new ATOM 0 HD2 TYR B 212 10.851 -11.921 -2.068 1.00 1.35 H new ATOM 0 HE1 TYR B 212 6.290 -11.929 -3.901 1.00 1.15 H new ATOM 0 HE2 TYR B 212 9.232 -13.599 -1.312 1.00 1.41 H new ATOM 0 HH TYR B 212 7.183 -14.395 -1.473 1.00 0.74 H new ATOM 1149 N ASP B 213 11.306 -8.740 -1.028 1.00 0.34 N ATOM 1150 CA ASP B 213 11.303 -8.944 0.415 1.00 0.38 C ATOM 1151 C ASP B 213 10.621 -7.786 1.122 1.00 0.33 C ATOM 1152 O ASP B 213 9.722 -7.986 1.938 1.00 0.30 O ATOM 1153 CB ASP B 213 12.728 -9.102 0.949 1.00 0.49 C ATOM 1154 CG ASP B 213 13.371 -10.406 0.531 1.00 1.14 C ATOM 1155 OD1 ASP B 213 13.145 -11.427 1.210 1.00 2.00 O ATOM 1156 OD2 ASP B 213 14.114 -10.416 -0.477 1.00 1.62 O ATOM 0 H ASP B 213 12.234 -8.633 -1.437 1.00 0.34 H new ATOM 0 HA ASP B 213 10.748 -9.860 0.616 1.00 0.38 H new ATOM 0 HB2 ASP B 213 13.338 -8.271 0.594 1.00 0.49 H new ATOM 0 HB3 ASP B 213 12.712 -9.043 2.037 1.00 0.49 H new ATOM 1161 N GLU B 214 11.032 -6.574 0.785 1.00 0.34 N ATOM 1162 CA GLU B 214 10.476 -5.384 1.405 1.00 0.34 C ATOM 1163 C GLU B 214 9.047 -5.169 0.935 1.00 0.26 C ATOM 1164 O GLU B 214 8.211 -4.646 1.667 1.00 0.25 O ATOM 1165 CB GLU B 214 11.330 -4.162 1.078 1.00 0.44 C ATOM 1166 CG GLU B 214 11.108 -3.003 2.031 1.00 0.56 C ATOM 1167 CD GLU B 214 11.418 -3.375 3.467 1.00 0.75 C ATOM 1168 OE1 GLU B 214 12.614 -3.501 3.811 1.00 1.25 O ATOM 1169 OE2 GLU B 214 10.474 -3.543 4.261 1.00 1.48 O ATOM 0 H GLU B 214 11.750 -6.389 0.084 1.00 0.34 H new ATOM 0 HA GLU B 214 10.474 -5.524 2.486 1.00 0.34 H new ATOM 0 HB2 GLU B 214 12.382 -4.446 1.101 1.00 0.44 H new ATOM 0 HB3 GLU B 214 11.110 -3.835 0.062 1.00 0.44 H new ATOM 0 HG2 GLU B 214 11.735 -2.163 1.732 1.00 0.56 H new ATOM 0 HG3 GLU B 214 10.073 -2.669 1.959 1.00 0.56 H new ATOM 1176 N ALA B 215 8.764 -5.606 -0.284 1.00 0.21 N ATOM 1177 CA ALA B 215 7.423 -5.498 -0.834 1.00 0.17 C ATOM 1178 C ALA B 215 6.472 -6.383 -0.041 1.00 0.16 C ATOM 1179 O ALA B 215 5.320 -6.029 0.207 1.00 0.15 O ATOM 1180 CB ALA B 215 7.416 -5.897 -2.302 1.00 0.16 C ATOM 0 H ALA B 215 9.445 -6.038 -0.909 1.00 0.21 H new ATOM 0 HA ALA B 215 7.092 -4.462 -0.760 1.00 0.17 H new ATOM 0 HB1 ALA B 215 6.404 -5.810 -2.698 1.00 0.16 H new ATOM 0 HB2 ALA B 215 8.082 -5.239 -2.861 1.00 0.16 H new ATOM 0 HB3 ALA B 215 7.757 -6.928 -2.401 1.00 0.16 H new ATOM 1186 N ASN B 216 6.982 -7.535 0.364 1.00 0.17 N ATOM 1187 CA ASN B 216 6.225 -8.481 1.165 1.00 0.19 C ATOM 1188 C ASN B 216 6.017 -7.935 2.568 1.00 0.18 C ATOM 1189 O ASN B 216 4.905 -7.958 3.094 1.00 0.19 O ATOM 1190 CB ASN B 216 6.965 -9.816 1.229 1.00 0.22 C ATOM 1191 CG ASN B 216 6.179 -10.903 1.940 1.00 0.33 C ATOM 1192 OD1 ASN B 216 4.862 -10.891 1.793 1.00 0.63 O flip ATOM 1193 ND2 ASN B 216 6.757 -11.761 2.604 1.00 0.35 N flip ATOM 0 H ASN B 216 7.931 -7.839 0.147 1.00 0.17 H new ATOM 0 HA ASN B 216 5.251 -8.634 0.701 1.00 0.19 H new ATOM 0 HB2 ASN B 216 7.194 -10.146 0.216 1.00 0.22 H new ATOM 0 HB3 ASN B 216 7.917 -9.672 1.740 1.00 0.22 H new ATOM 0 HD21 ASN B 216 7.773 -11.738 2.694 1.00 0.35 H new ATOM 0 HD22 ASN B 216 6.221 -12.496 3.065 1.00 0.35 H new ATOM 1200 N LYS B 217 7.094 -7.424 3.155 1.00 0.19 N ATOM 1201 CA LYS B 217 7.050 -6.857 4.496 1.00 0.19 C ATOM 1202 C LYS B 217 6.050 -5.711 4.569 1.00 0.17 C ATOM 1203 O LYS B 217 5.292 -5.594 5.531 1.00 0.18 O ATOM 1204 CB LYS B 217 8.435 -6.357 4.899 1.00 0.22 C ATOM 1205 CG LYS B 217 9.458 -7.465 5.093 1.00 0.26 C ATOM 1206 CD LYS B 217 10.879 -6.919 5.111 1.00 0.37 C ATOM 1207 CE LYS B 217 11.073 -5.886 6.208 1.00 1.15 C ATOM 1208 NZ LYS B 217 12.373 -5.179 6.074 1.00 1.97 N ATOM 0 H LYS B 217 8.015 -7.392 2.718 1.00 0.19 H new ATOM 0 HA LYS B 217 6.732 -7.639 5.185 1.00 0.19 H new ATOM 0 HB2 LYS B 217 8.799 -5.670 4.135 1.00 0.22 H new ATOM 0 HB3 LYS B 217 8.350 -5.788 5.825 1.00 0.22 H new ATOM 0 HG2 LYS B 217 9.256 -7.987 6.028 1.00 0.26 H new ATOM 0 HG3 LYS B 217 9.359 -8.197 4.291 1.00 0.26 H new ATOM 0 HD2 LYS B 217 11.582 -7.739 5.256 1.00 0.37 H new ATOM 0 HD3 LYS B 217 11.108 -6.470 4.144 1.00 0.37 H new ATOM 0 HE2 LYS B 217 10.259 -5.161 6.173 1.00 1.15 H new ATOM 0 HE3 LYS B 217 11.023 -6.375 7.181 1.00 1.15 H new ATOM 0 HZ1 LYS B 217 12.419 -4.403 6.765 1.00 1.97 H new ATOM 0 HZ2 LYS B 217 13.151 -5.846 6.250 1.00 1.97 H new ATOM 0 HZ3 LYS B 217 12.460 -4.792 5.113 1.00 1.97 H new ATOM 1222 N LEU B 218 6.033 -4.888 3.531 1.00 0.15 N ATOM 1223 CA LEU B 218 5.125 -3.756 3.483 1.00 0.15 C ATOM 1224 C LEU B 218 3.701 -4.230 3.243 1.00 0.13 C ATOM 1225 O LEU B 218 2.762 -3.670 3.785 1.00 0.13 O ATOM 1226 CB LEU B 218 5.544 -2.756 2.409 1.00 0.15 C ATOM 1227 CG LEU B 218 6.787 -1.928 2.735 1.00 0.17 C ATOM 1228 CD1 LEU B 218 7.106 -0.990 1.586 1.00 0.20 C ATOM 1229 CD2 LEU B 218 6.588 -1.142 4.024 1.00 0.19 C ATOM 0 H LEU B 218 6.636 -4.984 2.714 1.00 0.15 H new ATOM 0 HA LEU B 218 5.168 -3.249 4.447 1.00 0.15 H new ATOM 0 HB2 LEU B 218 5.723 -3.299 1.481 1.00 0.15 H new ATOM 0 HB3 LEU B 218 4.712 -2.076 2.225 1.00 0.15 H new ATOM 0 HG LEU B 218 7.628 -2.607 2.877 1.00 0.17 H new ATOM 0 HD11 LEU B 218 7.993 -0.405 1.829 1.00 0.20 H new ATOM 0 HD12 LEU B 218 7.291 -1.571 0.683 1.00 0.20 H new ATOM 0 HD13 LEU B 218 6.263 -0.319 1.420 1.00 0.20 H new ATOM 0 HD21 LEU B 218 7.484 -0.560 4.237 1.00 0.19 H new ATOM 0 HD22 LEU B 218 5.737 -0.470 3.913 1.00 0.19 H new ATOM 0 HD23 LEU B 218 6.400 -1.833 4.846 1.00 0.19 H new ATOM 1241 N ARG B 219 3.552 -5.268 2.427 1.00 0.13 N ATOM 1242 CA ARG B 219 2.240 -5.852 2.160 1.00 0.13 C ATOM 1243 C ARG B 219 1.600 -6.336 3.458 1.00 0.13 C ATOM 1244 O ARG B 219 0.414 -6.110 3.701 1.00 0.12 O ATOM 1245 CB ARG B 219 2.357 -7.022 1.182 1.00 0.13 C ATOM 1246 CG ARG B 219 1.021 -7.478 0.618 1.00 0.19 C ATOM 1247 CD ARG B 219 1.119 -8.866 0.008 1.00 0.17 C ATOM 1248 NE ARG B 219 1.179 -9.906 1.034 1.00 0.54 N ATOM 1249 CZ ARG B 219 1.485 -11.179 0.792 1.00 0.79 C ATOM 1250 NH1 ARG B 219 1.825 -11.570 -0.429 1.00 0.61 N ATOM 1251 NH2 ARG B 219 1.469 -12.061 1.780 1.00 1.29 N ATOM 0 H ARG B 219 4.323 -5.723 1.938 1.00 0.13 H new ATOM 0 HA ARG B 219 1.612 -5.080 1.715 1.00 0.13 H new ATOM 0 HB2 ARG B 219 3.010 -6.733 0.359 1.00 0.13 H new ATOM 0 HB3 ARG B 219 2.834 -7.861 1.688 1.00 0.13 H new ATOM 0 HG2 ARG B 219 0.272 -7.479 1.410 1.00 0.19 H new ATOM 0 HG3 ARG B 219 0.683 -6.770 -0.139 1.00 0.19 H new ATOM 0 HD2 ARG B 219 0.258 -9.041 -0.637 1.00 0.17 H new ATOM 0 HD3 ARG B 219 2.007 -8.925 -0.622 1.00 0.17 H new ATOM 0 HE ARG B 219 0.973 -9.639 1.997 1.00 0.54 H new ATOM 0 HH11 ARG B 219 1.854 -10.893 -1.192 1.00 0.61 H new ATOM 0 HH12 ARG B 219 2.058 -12.547 -0.605 1.00 0.61 H new ATOM 0 HH21 ARG B 219 1.223 -11.765 2.724 1.00 1.29 H new ATOM 0 HH22 ARG B 219 1.703 -13.037 1.596 1.00 1.29 H new ATOM 1265 N VAL B 220 2.407 -6.975 4.300 1.00 0.13 N ATOM 1266 CA VAL B 220 1.925 -7.506 5.571 1.00 0.14 C ATOM 1267 C VAL B 220 1.633 -6.360 6.527 1.00 0.14 C ATOM 1268 O VAL B 220 0.597 -6.324 7.186 1.00 0.16 O ATOM 1269 CB VAL B 220 2.954 -8.461 6.220 1.00 0.16 C ATOM 1270 CG1 VAL B 220 2.442 -8.983 7.555 1.00 0.19 C ATOM 1271 CG2 VAL B 220 3.284 -9.614 5.285 1.00 0.16 C ATOM 0 H VAL B 220 3.399 -7.138 4.125 1.00 0.13 H new ATOM 0 HA VAL B 220 1.015 -8.072 5.370 1.00 0.14 H new ATOM 0 HB VAL B 220 3.869 -7.897 6.403 1.00 0.16 H new ATOM 0 HG11 VAL B 220 3.183 -9.652 7.992 1.00 0.19 H new ATOM 0 HG12 VAL B 220 2.267 -8.145 8.230 1.00 0.19 H new ATOM 0 HG13 VAL B 220 1.509 -9.525 7.400 1.00 0.19 H new ATOM 0 HG21 VAL B 220 4.010 -10.273 5.762 1.00 0.16 H new ATOM 0 HG22 VAL B 220 2.376 -10.174 5.063 1.00 0.16 H new ATOM 0 HG23 VAL B 220 3.704 -9.222 4.358 1.00 0.16 H new ATOM 1281 N LEU B 221 2.559 -5.415 6.565 1.00 0.12 N ATOM 1282 CA LEU B 221 2.455 -4.242 7.421 1.00 0.13 C ATOM 1283 C LEU B 221 1.172 -3.470 7.133 1.00 0.11 C ATOM 1284 O LEU B 221 0.391 -3.158 8.037 1.00 0.12 O ATOM 1285 CB LEU B 221 3.664 -3.341 7.182 1.00 0.15 C ATOM 1286 CG LEU B 221 3.645 -2.002 7.912 1.00 0.16 C ATOM 1287 CD1 LEU B 221 3.835 -2.198 9.408 1.00 0.20 C ATOM 1288 CD2 LEU B 221 4.712 -1.088 7.342 1.00 0.25 C ATOM 0 H LEU B 221 3.408 -5.439 6.001 1.00 0.12 H new ATOM 0 HA LEU B 221 2.431 -4.566 8.461 1.00 0.13 H new ATOM 0 HB2 LEU B 221 4.562 -3.883 7.478 1.00 0.15 H new ATOM 0 HB3 LEU B 221 3.746 -3.150 6.112 1.00 0.15 H new ATOM 0 HG LEU B 221 2.672 -1.535 7.763 1.00 0.16 H new ATOM 0 HD11 LEU B 221 3.818 -1.229 9.907 1.00 0.20 H new ATOM 0 HD12 LEU B 221 3.031 -2.821 9.798 1.00 0.20 H new ATOM 0 HD13 LEU B 221 4.793 -2.684 9.592 1.00 0.20 H new ATOM 0 HD21 LEU B 221 4.693 -0.134 7.868 1.00 0.25 H new ATOM 0 HD22 LEU B 221 5.691 -1.551 7.466 1.00 0.25 H new ATOM 0 HD23 LEU B 221 4.520 -0.922 6.282 1.00 0.25 H new ATOM 1300 N PHE B 222 0.959 -3.188 5.860 1.00 0.10 N ATOM 1301 CA PHE B 222 -0.189 -2.418 5.422 1.00 0.10 C ATOM 1302 C PHE B 222 -1.473 -3.203 5.636 1.00 0.10 C ATOM 1303 O PHE B 222 -2.497 -2.637 6.009 1.00 0.11 O ATOM 1304 CB PHE B 222 -0.050 -2.039 3.944 1.00 0.10 C ATOM 1305 CG PHE B 222 1.126 -1.146 3.628 1.00 0.10 C ATOM 1306 CD1 PHE B 222 1.853 -0.527 4.636 1.00 1.16 C ATOM 1307 CD2 PHE B 222 1.505 -0.930 2.312 1.00 1.23 C ATOM 1308 CE1 PHE B 222 2.928 0.287 4.337 1.00 1.16 C ATOM 1309 CE2 PHE B 222 2.580 -0.116 2.007 1.00 1.24 C ATOM 1310 CZ PHE B 222 3.292 0.493 3.022 1.00 0.12 C ATOM 0 H PHE B 222 1.575 -3.486 5.104 1.00 0.10 H new ATOM 0 HA PHE B 222 -0.232 -1.506 6.017 1.00 0.10 H new ATOM 0 HB2 PHE B 222 0.037 -2.952 3.356 1.00 0.10 H new ATOM 0 HB3 PHE B 222 -0.964 -1.539 3.624 1.00 0.10 H new ATOM 0 HD1 PHE B 222 1.574 -0.684 5.668 1.00 1.16 H new ATOM 0 HD2 PHE B 222 0.953 -1.404 1.514 1.00 1.23 H new ATOM 0 HE1 PHE B 222 3.483 0.762 5.132 1.00 1.16 H new ATOM 0 HE2 PHE B 222 2.863 0.043 0.977 1.00 1.24 H new ATOM 0 HZ PHE B 222 4.132 1.129 2.787 1.00 0.12 H new ATOM 1320 N LYS B 223 -1.412 -4.511 5.414 1.00 0.10 N ATOM 1321 CA LYS B 223 -2.580 -5.360 5.591 1.00 0.11 C ATOM 1322 C LYS B 223 -2.996 -5.405 7.054 1.00 0.12 C ATOM 1323 O LYS B 223 -4.183 -5.420 7.365 1.00 0.14 O ATOM 1324 CB LYS B 223 -2.318 -6.774 5.078 1.00 0.12 C ATOM 1325 CG LYS B 223 -3.569 -7.633 5.048 1.00 0.13 C ATOM 1326 CD LYS B 223 -3.295 -9.011 4.471 1.00 0.20 C ATOM 1327 CE LYS B 223 -4.578 -9.808 4.333 1.00 0.24 C ATOM 1328 NZ LYS B 223 -4.329 -11.184 3.832 1.00 0.35 N ATOM 0 H LYS B 223 -0.571 -5.003 5.113 1.00 0.10 H new ATOM 0 HA LYS B 223 -3.393 -4.929 5.007 1.00 0.11 H new ATOM 0 HB2 LYS B 223 -1.897 -6.719 4.074 1.00 0.12 H new ATOM 0 HB3 LYS B 223 -1.570 -7.252 5.711 1.00 0.12 H new ATOM 0 HG2 LYS B 223 -3.964 -7.734 6.059 1.00 0.13 H new ATOM 0 HG3 LYS B 223 -4.336 -7.137 4.454 1.00 0.13 H new ATOM 0 HD2 LYS B 223 -2.817 -8.912 3.496 1.00 0.20 H new ATOM 0 HD3 LYS B 223 -2.598 -9.547 5.115 1.00 0.20 H new ATOM 0 HE2 LYS B 223 -5.078 -9.860 5.300 1.00 0.24 H new ATOM 0 HE3 LYS B 223 -5.254 -9.291 3.652 1.00 0.24 H new ATOM 0 HZ1 LYS B 223 -5.232 -11.693 3.753 1.00 0.35 H new ATOM 0 HZ2 LYS B 223 -3.875 -11.136 2.897 1.00 0.35 H new ATOM 0 HZ3 LYS B 223 -3.705 -11.687 4.495 1.00 0.35 H new ATOM 1342 N GLU B 224 -2.018 -5.393 7.950 1.00 0.12 N ATOM 1343 CA GLU B 224 -2.293 -5.418 9.380 1.00 0.14 C ATOM 1344 C GLU B 224 -2.829 -4.068 9.828 1.00 0.14 C ATOM 1345 O GLU B 224 -3.657 -3.981 10.735 1.00 0.16 O ATOM 1346 CB GLU B 224 -1.032 -5.770 10.167 1.00 0.17 C ATOM 1347 CG GLU B 224 -0.559 -7.196 9.946 1.00 0.24 C ATOM 1348 CD GLU B 224 -1.586 -8.219 10.386 1.00 1.36 C ATOM 1349 OE1 GLU B 224 -1.779 -8.384 11.609 1.00 1.92 O ATOM 1350 OE2 GLU B 224 -2.213 -8.856 9.515 1.00 2.27 O ATOM 0 H GLU B 224 -1.027 -5.366 7.711 1.00 0.12 H new ATOM 0 HA GLU B 224 -3.044 -6.184 9.575 1.00 0.14 H new ATOM 0 HB2 GLU B 224 -0.234 -5.083 9.886 1.00 0.17 H new ATOM 0 HB3 GLU B 224 -1.222 -5.619 11.230 1.00 0.17 H new ATOM 0 HG2 GLU B 224 -0.334 -7.342 8.889 1.00 0.24 H new ATOM 0 HG3 GLU B 224 0.369 -7.357 10.495 1.00 0.24 H new ATOM 1357 N ALA B 225 -2.371 -3.020 9.158 1.00 0.14 N ATOM 1358 CA ALA B 225 -2.842 -1.675 9.435 1.00 0.15 C ATOM 1359 C ALA B 225 -4.303 -1.560 9.031 1.00 0.15 C ATOM 1360 O ALA B 225 -5.121 -0.971 9.740 1.00 0.16 O ATOM 1361 CB ALA B 225 -1.997 -0.651 8.692 1.00 0.15 C ATOM 0 H ALA B 225 -1.672 -3.078 8.417 1.00 0.14 H new ATOM 0 HA ALA B 225 -2.750 -1.474 10.502 1.00 0.15 H new ATOM 0 HB1 ALA B 225 -2.364 0.352 8.911 1.00 0.15 H new ATOM 0 HB2 ALA B 225 -0.958 -0.735 9.012 1.00 0.15 H new ATOM 0 HB3 ALA B 225 -2.062 -0.835 7.620 1.00 0.15 H new ATOM 1367 N TRP B 226 -4.620 -2.165 7.895 1.00 0.15 N ATOM 1368 CA TRP B 226 -5.978 -2.202 7.386 1.00 0.16 C ATOM 1369 C TRP B 226 -6.861 -3.054 8.295 1.00 0.17 C ATOM 1370 O TRP B 226 -8.011 -2.708 8.560 1.00 0.19 O ATOM 1371 CB TRP B 226 -5.977 -2.747 5.953 1.00 0.16 C ATOM 1372 CG TRP B 226 -7.338 -3.068 5.432 1.00 0.15 C ATOM 1373 CD1 TRP B 226 -8.318 -2.186 5.080 1.00 0.16 C ATOM 1374 CD2 TRP B 226 -7.869 -4.374 5.203 1.00 0.15 C ATOM 1375 NE1 TRP B 226 -9.431 -2.869 4.654 1.00 0.17 N ATOM 1376 CE2 TRP B 226 -9.178 -4.215 4.718 1.00 0.16 C ATOM 1377 CE3 TRP B 226 -7.359 -5.665 5.365 1.00 0.16 C ATOM 1378 CZ2 TRP B 226 -9.984 -5.300 4.393 1.00 0.17 C ATOM 1379 CZ3 TRP B 226 -8.160 -6.740 5.043 1.00 0.18 C ATOM 1380 CH2 TRP B 226 -9.459 -6.553 4.562 1.00 0.18 C ATOM 0 H TRP B 226 -3.941 -2.643 7.303 1.00 0.15 H new ATOM 0 HA TRP B 226 -6.386 -1.191 7.373 1.00 0.16 H new ATOM 0 HB2 TRP B 226 -5.510 -2.014 5.295 1.00 0.16 H new ATOM 0 HB3 TRP B 226 -5.362 -3.646 5.916 1.00 0.16 H new ATOM 0 HD1 TRP B 226 -8.231 -1.111 5.129 1.00 0.16 H new ATOM 0 HE1 TRP B 226 -10.304 -2.444 4.341 1.00 0.17 H new ATOM 0 HE3 TRP B 226 -6.356 -5.818 5.736 1.00 0.16 H new ATOM 0 HZ2 TRP B 226 -10.988 -5.160 4.021 1.00 0.17 H new ATOM 0 HZ3 TRP B 226 -7.778 -7.743 5.164 1.00 0.18 H new ATOM 0 HH2 TRP B 226 -10.062 -7.416 4.318 1.00 0.18 H new ATOM 1391 N ARG B 227 -6.316 -4.164 8.784 1.00 0.18 N ATOM 1392 CA ARG B 227 -7.033 -5.012 9.729 1.00 0.21 C ATOM 1393 C ARG B 227 -7.350 -4.239 11.002 1.00 0.24 C ATOM 1394 O ARG B 227 -8.435 -4.369 11.567 1.00 0.25 O ATOM 1395 CB ARG B 227 -6.227 -6.265 10.078 1.00 0.24 C ATOM 1396 CG ARG B 227 -6.012 -7.217 8.913 1.00 0.27 C ATOM 1397 CD ARG B 227 -7.318 -7.587 8.232 1.00 0.38 C ATOM 1398 NE ARG B 227 -8.281 -8.204 9.143 1.00 0.98 N ATOM 1399 CZ ARG B 227 -9.490 -8.622 8.765 1.00 1.26 C ATOM 1400 NH1 ARG B 227 -9.870 -8.501 7.499 1.00 0.71 N ATOM 1401 NH2 ARG B 227 -10.314 -9.165 9.651 1.00 2.25 N ATOM 0 H ARG B 227 -5.382 -4.496 8.542 1.00 0.18 H new ATOM 0 HA ARG B 227 -7.963 -5.322 9.252 1.00 0.21 H new ATOM 0 HB2 ARG B 227 -5.255 -5.961 10.467 1.00 0.24 H new ATOM 0 HB3 ARG B 227 -6.738 -6.800 10.879 1.00 0.24 H new ATOM 0 HG2 ARG B 227 -5.342 -6.756 8.187 1.00 0.27 H new ATOM 0 HG3 ARG B 227 -5.520 -8.122 9.270 1.00 0.27 H new ATOM 0 HD2 ARG B 227 -7.761 -6.692 7.796 1.00 0.38 H new ATOM 0 HD3 ARG B 227 -7.112 -8.273 7.411 1.00 0.38 H new ATOM 0 HE ARG B 227 -8.014 -8.321 10.120 1.00 0.98 H new ATOM 0 HH11 ARG B 227 -9.237 -8.088 6.814 1.00 0.71 H new ATOM 0 HH12 ARG B 227 -10.795 -8.821 7.211 1.00 0.71 H new ATOM 0 HH21 ARG B 227 -10.024 -9.264 10.624 1.00 2.25 H new ATOM 0 HH22 ARG B 227 -11.238 -9.484 9.360 1.00 2.25 H new ATOM 1415 N SER B 228 -6.402 -3.420 11.437 1.00 0.28 N ATOM 1416 CA SER B 228 -6.567 -2.622 12.643 1.00 0.33 C ATOM 1417 C SER B 228 -7.520 -1.448 12.403 1.00 0.36 C ATOM 1418 O SER B 228 -7.865 -0.720 13.334 1.00 0.40 O ATOM 1419 CB SER B 228 -5.202 -2.109 13.116 1.00 0.36 C ATOM 1420 OG SER B 228 -5.294 -1.470 14.381 1.00 1.18 O ATOM 0 H SER B 228 -5.505 -3.291 10.969 1.00 0.28 H new ATOM 0 HA SER B 228 -7.003 -3.254 13.417 1.00 0.33 H new ATOM 0 HB2 SER B 228 -4.501 -2.942 13.178 1.00 0.36 H new ATOM 0 HB3 SER B 228 -4.801 -1.409 12.382 1.00 0.36 H new ATOM 0 HG SER B 228 -6.171 -1.042 14.468 1.00 1.18 H new ATOM 1426 N SER B 229 -7.945 -1.266 11.159 1.00 0.34 N ATOM 1427 CA SER B 229 -8.870 -0.193 10.821 1.00 0.37 C ATOM 1428 C SER B 229 -10.311 -0.628 11.067 1.00 0.38 C ATOM 1429 O SER B 229 -11.238 0.183 11.013 1.00 0.42 O ATOM 1430 CB SER B 229 -8.678 0.228 9.365 1.00 0.34 C ATOM 1431 OG SER B 229 -7.363 0.706 9.148 1.00 0.93 O ATOM 0 H SER B 229 -7.664 -1.847 10.369 1.00 0.34 H new ATOM 0 HA SER B 229 -8.659 0.663 11.463 1.00 0.37 H new ATOM 0 HB2 SER B 229 -8.875 -0.619 8.708 1.00 0.34 H new ATOM 0 HB3 SER B 229 -9.399 1.004 9.108 1.00 0.34 H new ATOM 0 HG SER B 229 -6.718 0.002 9.371 1.00 0.93 H new ATOM 1437 N PHE B 230 -10.496 -1.912 11.333 1.00 0.36 N ATOM 1438 CA PHE B 230 -11.811 -2.431 11.670 1.00 0.38 C ATOM 1439 C PHE B 230 -12.068 -2.281 13.161 1.00 0.51 C ATOM 1440 O PHE B 230 -12.776 -1.331 13.552 1.00 1.21 O ATOM 1441 CB PHE B 230 -11.945 -3.898 11.259 1.00 0.31 C ATOM 1442 CG PHE B 230 -11.946 -4.109 9.774 1.00 0.30 C ATOM 1443 CD1 PHE B 230 -12.919 -3.519 8.982 1.00 1.21 C ATOM 1444 CD2 PHE B 230 -10.984 -4.898 9.169 1.00 1.21 C ATOM 1445 CE1 PHE B 230 -12.930 -3.711 7.614 1.00 1.27 C ATOM 1446 CE2 PHE B 230 -10.991 -5.095 7.802 1.00 1.22 C ATOM 1447 CZ PHE B 230 -11.966 -4.501 7.025 1.00 0.47 C ATOM 1448 OXT PHE B 230 -11.541 -3.099 13.941 1.00 1.23 O ATOM 0 H PHE B 230 -9.754 -2.612 11.322 1.00 0.36 H new ATOM 0 HA PHE B 230 -12.554 -1.854 11.120 1.00 0.38 H new ATOM 0 HB2 PHE B 230 -11.124 -4.466 11.697 1.00 0.31 H new ATOM 0 HB3 PHE B 230 -12.869 -4.300 11.675 1.00 0.31 H new ATOM 0 HD1 PHE B 230 -13.678 -2.902 9.440 1.00 1.21 H new ATOM 0 HD2 PHE B 230 -10.219 -5.365 9.772 1.00 1.21 H new ATOM 0 HE1 PHE B 230 -13.692 -3.243 7.008 1.00 1.27 H new ATOM 0 HE2 PHE B 230 -10.235 -5.713 7.341 1.00 1.22 H new ATOM 0 HZ PHE B 230 -11.973 -4.655 5.956 1.00 0.47 H new