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 Set 1.1: B 212 TYR OH : rot -111:sc= 0.735 USER MOD Set 1.2: B 216 ASN : amide:sc= 0.157 K(o=0.89,f=0.34) USER MOD Set 2.1: A 212 TYR OH : rot -112:sc= 0.771 USER MOD Set 2.2: A 216 ASN : amide:sc= 0.303 K(o=1.1,f=0.31) USER MOD Single : A 190 SER OG : rot 22:sc= 0.246 USER MOD Single : A 194 THR OG1 : rot -56:sc= 1.66 USER MOD Single : A 202 GLN : amide:sc= 0.261 K(o=0.26,f=-3!) USER MOD Single : A 207 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 210 LYS NZ :NH3+ 168:sc= -0.0148 (180deg=-0.136) USER MOD Single : A 217 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0473) USER MOD Single : A 223 LYS NZ :NH3+ -127:sc= 1.29 (180deg=-0.089) USER MOD Single : A 228 SER OG : rot -24:sc= 0.0933 USER MOD Single : A 229 SER OG : rot -34:sc= 0.124 USER MOD Single : B 190 SER OG : rot 34:sc= 0.306 USER MOD Single : B 194 THR OG1 : rot -87:sc= 1.59 USER MOD Single : B 202 GLN : amide:sc= 0.212 K(o=0.21,f=-2.8!) USER MOD Single : B 207 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : B 210 LYS NZ :NH3+ 169:sc= -0.0113 (180deg=-0.156) USER MOD Single : B 217 LYS NZ :NH3+ 173:sc=-0.00193 (180deg=-0.0598) USER MOD Single : B 223 LYS NZ :NH3+ -143:sc= 1.22 (180deg=-0.17) USER MOD Single : B 228 SER OG : rot -33:sc= 0.113 USER MOD Single : B 229 SER OG : rot -34:sc= 0.148 USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 190 14.081 4.023 0.693 1.00 0.39 N ATOM 49 CA SER A 190 14.303 5.356 0.138 1.00 0.43 C ATOM 50 C SER A 190 13.152 5.816 -0.758 1.00 0.37 C ATOM 51 O SER A 190 12.675 6.943 -0.632 1.00 0.39 O ATOM 52 CB SER A 190 15.608 5.356 -0.658 1.00 0.55 C ATOM 53 OG SER A 190 16.655 4.755 0.088 1.00 1.24 O ATOM 0 HA SER A 190 14.361 6.057 0.971 1.00 0.43 H new ATOM 0 HB2 SER A 190 15.467 4.817 -1.595 1.00 0.55 H new ATOM 0 HB3 SER A 190 15.881 6.379 -0.917 1.00 0.55 H new ATOM 0 HG SER A 190 16.273 4.172 0.776 1.00 1.24 H new ATOM 59 N VAL A 191 12.696 4.938 -1.646 1.00 0.35 N ATOM 60 CA VAL A 191 11.616 5.286 -2.560 1.00 0.30 C ATOM 61 C VAL A 191 10.273 5.296 -1.834 1.00 0.25 C ATOM 62 O VAL A 191 9.385 6.072 -2.169 1.00 0.25 O ATOM 63 CB VAL A 191 11.557 4.331 -3.776 1.00 0.30 C ATOM 64 CG1 VAL A 191 11.421 2.887 -3.336 1.00 0.35 C ATOM 65 CG2 VAL A 191 10.414 4.710 -4.706 1.00 0.31 C ATOM 0 H VAL A 191 13.054 3.989 -1.751 1.00 0.35 H new ATOM 0 HA VAL A 191 11.824 6.288 -2.934 1.00 0.30 H new ATOM 0 HB VAL A 191 12.496 4.432 -4.320 1.00 0.30 H new ATOM 0 HG11 VAL A 191 11.382 2.241 -4.213 1.00 0.35 H new ATOM 0 HG12 VAL A 191 12.278 2.612 -2.721 1.00 0.35 H new ATOM 0 HG13 VAL A 191 10.505 2.768 -2.757 1.00 0.35 H new ATOM 0 HG21 VAL A 191 10.392 4.025 -5.554 1.00 0.31 H new ATOM 0 HG22 VAL A 191 9.469 4.649 -4.165 1.00 0.31 H new ATOM 0 HG23 VAL A 191 10.560 5.728 -5.066 1.00 0.31 H new ATOM 75 N VAL A 192 10.144 4.463 -0.813 1.00 0.24 N ATOM 76 CA VAL A 192 8.922 4.410 -0.021 1.00 0.21 C ATOM 77 C VAL A 192 8.786 5.687 0.800 1.00 0.20 C ATOM 78 O VAL A 192 7.697 6.065 1.226 1.00 0.20 O ATOM 79 CB VAL A 192 8.919 3.199 0.933 1.00 0.20 C ATOM 80 CG1 VAL A 192 7.592 3.086 1.668 1.00 0.17 C ATOM 81 CG2 VAL A 192 9.221 1.922 0.175 1.00 0.23 C ATOM 0 H VAL A 192 10.870 3.813 -0.512 1.00 0.24 H new ATOM 0 HA VAL A 192 8.083 4.311 -0.710 1.00 0.21 H new ATOM 0 HB VAL A 192 9.702 3.352 1.675 1.00 0.20 H new ATOM 0 HG11 VAL A 192 7.617 2.224 2.334 1.00 0.17 H new ATOM 0 HG12 VAL A 192 7.421 3.990 2.252 1.00 0.17 H new ATOM 0 HG13 VAL A 192 6.785 2.963 0.945 1.00 0.17 H new ATOM 0 HG21 VAL A 192 9.214 1.079 0.866 1.00 0.23 H new ATOM 0 HG22 VAL A 192 8.464 1.767 -0.594 1.00 0.23 H new ATOM 0 HG23 VAL A 192 10.202 2.000 -0.293 1.00 0.23 H new ATOM 91 N ALA A 193 9.905 6.363 0.993 1.00 0.22 N ATOM 92 CA ALA A 193 9.946 7.578 1.782 1.00 0.22 C ATOM 93 C ALA A 193 9.612 8.800 0.938 1.00 0.22 C ATOM 94 O ALA A 193 9.782 9.936 1.385 1.00 0.24 O ATOM 95 CB ALA A 193 11.318 7.739 2.419 1.00 0.24 C ATOM 0 H ALA A 193 10.808 6.085 0.608 1.00 0.22 H new ATOM 0 HA ALA A 193 9.192 7.497 2.565 1.00 0.22 H new ATOM 0 HB1 ALA A 193 11.340 8.655 3.010 1.00 0.24 H new ATOM 0 HB2 ALA A 193 11.522 6.885 3.065 1.00 0.24 H new ATOM 0 HB3 ALA A 193 12.077 7.793 1.639 1.00 0.24 H new ATOM 101 N THR A 194 9.128 8.579 -0.275 1.00 0.22 N ATOM 102 CA THR A 194 8.867 9.681 -1.180 1.00 0.23 C ATOM 103 C THR A 194 7.371 9.914 -1.297 1.00 0.22 C ATOM 104 O THR A 194 6.574 8.974 -1.269 1.00 0.20 O ATOM 105 CB THR A 194 9.447 9.432 -2.588 1.00 0.24 C ATOM 106 OG1 THR A 194 8.745 8.367 -3.238 1.00 0.24 O ATOM 107 CG2 THR A 194 10.924 9.090 -2.513 1.00 0.26 C ATOM 0 H THR A 194 8.911 7.656 -0.650 1.00 0.22 H new ATOM 0 HA THR A 194 9.358 10.560 -0.762 1.00 0.23 H new ATOM 0 HB THR A 194 9.326 10.349 -3.165 1.00 0.24 H new ATOM 0 HG1 THR A 194 8.775 7.565 -2.676 1.00 0.24 H new ATOM 0 HG21 THR A 194 11.309 8.919 -3.518 1.00 0.26 H new ATOM 0 HG22 THR A 194 11.466 9.916 -2.052 1.00 0.26 H new ATOM 0 HG23 THR A 194 11.059 8.189 -1.915 1.00 0.26 H new ATOM 115 N GLU A 195 7.006 11.174 -1.426 1.00 0.26 N ATOM 116 CA GLU A 195 5.620 11.556 -1.612 1.00 0.26 C ATOM 117 C GLU A 195 5.128 11.037 -2.954 1.00 0.20 C ATOM 118 O GLU A 195 3.954 10.726 -3.121 1.00 0.19 O ATOM 119 CB GLU A 195 5.464 13.069 -1.528 1.00 0.36 C ATOM 120 CG GLU A 195 5.896 13.646 -0.191 1.00 0.83 C ATOM 121 CD GLU A 195 5.195 12.991 0.983 1.00 1.69 C ATOM 122 OE1 GLU A 195 4.012 13.305 1.232 1.00 2.22 O ATOM 123 OE2 GLU A 195 5.828 12.159 1.668 1.00 2.46 O ATOM 0 H GLU A 195 7.658 11.958 -1.405 1.00 0.26 H new ATOM 0 HA GLU A 195 5.018 11.115 -0.818 1.00 0.26 H new ATOM 0 HB2 GLU A 195 6.050 13.532 -2.322 1.00 0.36 H new ATOM 0 HB3 GLU A 195 4.421 13.330 -1.708 1.00 0.36 H new ATOM 0 HG2 GLU A 195 6.973 13.525 -0.079 1.00 0.83 H new ATOM 0 HG3 GLU A 195 5.692 14.717 -0.179 1.00 0.83 H new ATOM 130 N ALA A 196 6.053 10.964 -3.903 1.00 0.21 N ATOM 131 CA ALA A 196 5.779 10.410 -5.220 1.00 0.21 C ATOM 132 C ALA A 196 5.326 8.957 -5.125 1.00 0.17 C ATOM 133 O ALA A 196 4.405 8.540 -5.827 1.00 0.17 O ATOM 134 CB ALA A 196 7.011 10.515 -6.102 1.00 0.26 C ATOM 0 H ALA A 196 7.013 11.287 -3.780 1.00 0.21 H new ATOM 0 HA ALA A 196 4.970 10.989 -5.665 1.00 0.21 H new ATOM 0 HB1 ALA A 196 6.792 10.097 -7.084 1.00 0.26 H new ATOM 0 HB2 ALA A 196 7.294 11.562 -6.208 1.00 0.26 H new ATOM 0 HB3 ALA A 196 7.832 9.961 -5.647 1.00 0.26 H new ATOM 140 N PHE A 197 5.965 8.191 -4.244 1.00 0.14 N ATOM 141 CA PHE A 197 5.600 6.794 -4.050 1.00 0.12 C ATOM 142 C PHE A 197 4.169 6.696 -3.562 1.00 0.11 C ATOM 143 O PHE A 197 3.377 5.924 -4.086 1.00 0.11 O ATOM 144 CB PHE A 197 6.534 6.107 -3.048 1.00 0.10 C ATOM 145 CG PHE A 197 6.005 4.795 -2.528 1.00 0.10 C ATOM 146 CD1 PHE A 197 6.083 3.646 -3.294 1.00 0.17 C ATOM 147 CD2 PHE A 197 5.416 4.718 -1.276 1.00 0.14 C ATOM 148 CE1 PHE A 197 5.585 2.449 -2.823 1.00 0.22 C ATOM 149 CE2 PHE A 197 4.919 3.522 -0.801 1.00 0.15 C ATOM 150 CZ PHE A 197 5.003 2.385 -1.575 1.00 0.17 C ATOM 0 H PHE A 197 6.734 8.514 -3.657 1.00 0.14 H new ATOM 0 HA PHE A 197 5.696 6.286 -5.010 1.00 0.12 H new ATOM 0 HB2 PHE A 197 7.500 5.936 -3.523 1.00 0.10 H new ATOM 0 HB3 PHE A 197 6.707 6.778 -2.207 1.00 0.10 H new ATOM 0 HD1 PHE A 197 6.539 3.686 -4.272 1.00 0.17 H new ATOM 0 HD2 PHE A 197 5.345 5.605 -0.665 1.00 0.14 H new ATOM 0 HE1 PHE A 197 5.651 1.560 -3.433 1.00 0.22 H new ATOM 0 HE2 PHE A 197 4.464 3.477 0.177 1.00 0.15 H new ATOM 0 HZ PHE A 197 4.614 1.448 -1.205 1.00 0.17 H new ATOM 160 N TRP A 198 3.855 7.489 -2.555 1.00 0.11 N ATOM 161 CA TRP A 198 2.532 7.473 -1.951 1.00 0.11 C ATOM 162 C TRP A 198 1.475 8.025 -2.898 1.00 0.12 C ATOM 163 O TRP A 198 0.311 7.636 -2.828 1.00 0.13 O ATOM 164 CB TRP A 198 2.553 8.218 -0.619 1.00 0.11 C ATOM 165 CG TRP A 198 3.413 7.513 0.380 1.00 0.11 C ATOM 166 CD1 TRP A 198 4.648 7.890 0.817 1.00 0.12 C ATOM 167 CD2 TRP A 198 3.115 6.276 1.033 1.00 0.12 C ATOM 168 NE1 TRP A 198 5.133 6.962 1.706 1.00 0.13 N ATOM 169 CE2 TRP A 198 4.210 5.965 1.858 1.00 0.13 C ATOM 170 CE3 TRP A 198 2.023 5.403 1.003 1.00 0.14 C ATOM 171 CZ2 TRP A 198 4.248 4.816 2.643 1.00 0.16 C ATOM 172 CZ3 TRP A 198 2.061 4.264 1.782 1.00 0.16 C ATOM 173 CH2 TRP A 198 3.167 3.979 2.593 1.00 0.17 C ATOM 0 H TRP A 198 4.501 8.157 -2.134 1.00 0.11 H new ATOM 0 HA TRP A 198 2.256 6.437 -1.753 1.00 0.11 H new ATOM 0 HB2 TRP A 198 2.924 9.231 -0.772 1.00 0.11 H new ATOM 0 HB3 TRP A 198 1.538 8.305 -0.232 1.00 0.11 H new ATOM 0 HD1 TRP A 198 5.168 8.785 0.510 1.00 0.12 H new ATOM 0 HE1 TRP A 198 6.037 7.009 2.177 1.00 0.13 H new ATOM 0 HE3 TRP A 198 1.166 5.616 0.382 1.00 0.14 H new ATOM 0 HZ2 TRP A 198 5.100 4.593 3.269 1.00 0.16 H new ATOM 0 HZ3 TRP A 198 1.224 3.581 1.766 1.00 0.16 H new ATOM 0 HH2 TRP A 198 3.166 3.080 3.191 1.00 0.17 H new ATOM 184 N ASP A 199 1.877 8.924 -3.783 1.00 0.13 N ATOM 185 CA ASP A 199 0.975 9.437 -4.809 1.00 0.16 C ATOM 186 C ASP A 199 0.599 8.329 -5.787 1.00 0.14 C ATOM 187 O ASP A 199 -0.578 8.117 -6.078 1.00 0.15 O ATOM 188 CB ASP A 199 1.612 10.608 -5.563 1.00 0.21 C ATOM 189 CG ASP A 199 0.772 11.064 -6.743 1.00 0.30 C ATOM 190 OD1 ASP A 199 -0.225 11.787 -6.531 1.00 1.23 O ATOM 191 OD2 ASP A 199 1.103 10.694 -7.890 1.00 1.01 O ATOM 0 H ASP A 199 2.819 9.314 -3.814 1.00 0.13 H new ATOM 0 HA ASP A 199 0.072 9.796 -4.315 1.00 0.16 H new ATOM 0 HB2 ASP A 199 1.754 11.443 -4.877 1.00 0.21 H new ATOM 0 HB3 ASP A 199 2.600 10.314 -5.916 1.00 0.21 H new ATOM 196 N ASP A 200 1.606 7.611 -6.278 1.00 0.16 N ATOM 197 CA ASP A 200 1.376 6.497 -7.199 1.00 0.18 C ATOM 198 C ASP A 200 0.637 5.361 -6.497 1.00 0.14 C ATOM 199 O ASP A 200 -0.218 4.699 -7.087 1.00 0.15 O ATOM 200 CB ASP A 200 2.697 5.979 -7.775 1.00 0.24 C ATOM 201 CG ASP A 200 3.286 6.885 -8.838 1.00 0.55 C ATOM 202 OD1 ASP A 200 2.799 6.854 -9.988 1.00 1.37 O ATOM 203 OD2 ASP A 200 4.255 7.613 -8.540 1.00 1.12 O ATOM 0 H ASP A 200 2.587 7.779 -6.055 1.00 0.16 H new ATOM 0 HA ASP A 200 0.760 6.867 -8.019 1.00 0.18 H new ATOM 0 HB2 ASP A 200 3.418 5.865 -6.965 1.00 0.24 H new ATOM 0 HB3 ASP A 200 2.536 4.989 -8.201 1.00 0.24 H new ATOM 208 N LEU A 201 0.989 5.141 -5.236 1.00 0.12 N ATOM 209 CA LEU A 201 0.346 4.138 -4.395 1.00 0.11 C ATOM 210 C LEU A 201 -1.144 4.441 -4.280 1.00 0.12 C ATOM 211 O LEU A 201 -1.986 3.561 -4.461 1.00 0.13 O ATOM 212 CB LEU A 201 1.028 4.142 -3.009 1.00 0.11 C ATOM 213 CG LEU A 201 0.729 2.966 -2.061 1.00 0.11 C ATOM 214 CD1 LEU A 201 -0.655 3.086 -1.445 1.00 0.18 C ATOM 215 CD2 LEU A 201 0.879 1.639 -2.786 1.00 0.13 C ATOM 0 H LEU A 201 1.733 5.656 -4.765 1.00 0.12 H new ATOM 0 HA LEU A 201 0.452 3.147 -4.836 1.00 0.11 H new ATOM 0 HB2 LEU A 201 2.106 4.181 -3.166 1.00 0.11 H new ATOM 0 HB3 LEU A 201 0.747 5.064 -2.499 1.00 0.11 H new ATOM 0 HG LEU A 201 1.457 3.002 -1.251 1.00 0.11 H new ATOM 0 HD11 LEU A 201 -0.833 2.240 -0.782 1.00 0.18 H new ATOM 0 HD12 LEU A 201 -0.721 4.013 -0.876 1.00 0.18 H new ATOM 0 HD13 LEU A 201 -1.406 3.091 -2.235 1.00 0.18 H new ATOM 0 HD21 LEU A 201 0.663 0.822 -2.098 1.00 0.13 H new ATOM 0 HD22 LEU A 201 0.183 1.601 -3.624 1.00 0.13 H new ATOM 0 HD23 LEU A 201 1.899 1.541 -3.157 1.00 0.13 H new ATOM 227 N GLN A 202 -1.463 5.701 -4.011 1.00 0.11 N ATOM 228 CA GLN A 202 -2.846 6.135 -3.935 1.00 0.12 C ATOM 229 C GLN A 202 -3.523 5.988 -5.290 1.00 0.12 C ATOM 230 O GLN A 202 -4.693 5.635 -5.364 1.00 0.13 O ATOM 231 CB GLN A 202 -2.931 7.581 -3.460 1.00 0.15 C ATOM 232 CG GLN A 202 -4.347 8.126 -3.445 1.00 0.21 C ATOM 233 CD GLN A 202 -4.416 9.547 -2.942 1.00 0.25 C ATOM 234 OE1 GLN A 202 -3.466 10.316 -3.083 1.00 0.71 O ATOM 235 NE2 GLN A 202 -5.544 9.910 -2.361 1.00 0.40 N ATOM 0 H GLN A 202 -0.779 6.439 -3.842 1.00 0.11 H new ATOM 0 HA GLN A 202 -3.363 5.503 -3.213 1.00 0.12 H new ATOM 0 HB2 GLN A 202 -2.511 7.652 -2.457 1.00 0.15 H new ATOM 0 HB3 GLN A 202 -2.316 8.206 -4.108 1.00 0.15 H new ATOM 0 HG2 GLN A 202 -4.761 8.081 -4.452 1.00 0.21 H new ATOM 0 HG3 GLN A 202 -4.970 7.491 -2.816 1.00 0.21 H new ATOM 0 HE21 GLN A 202 -6.307 9.240 -2.265 1.00 0.40 H new ATOM 0 HE22 GLN A 202 -5.653 10.861 -2.008 1.00 0.40 H new ATOM 244 N GLY A 203 -2.774 6.255 -6.353 1.00 0.14 N ATOM 245 CA GLY A 203 -3.296 6.090 -7.696 1.00 0.16 C ATOM 246 C GLY A 203 -3.722 4.661 -7.970 1.00 0.15 C ATOM 247 O GLY A 203 -4.783 4.418 -8.551 1.00 0.15 O ATOM 0 H GLY A 203 -1.810 6.584 -6.308 1.00 0.14 H new ATOM 0 HA2 GLY A 203 -4.148 6.755 -7.838 1.00 0.16 H new ATOM 0 HA3 GLY A 203 -2.536 6.386 -8.419 1.00 0.16 H new ATOM 251 N PHE A 204 -2.910 3.711 -7.515 1.00 0.15 N ATOM 252 CA PHE A 204 -3.227 2.300 -7.671 1.00 0.17 C ATOM 253 C PHE A 204 -4.451 1.957 -6.840 1.00 0.17 C ATOM 254 O PHE A 204 -5.317 1.190 -7.266 1.00 0.18 O ATOM 255 CB PHE A 204 -2.048 1.420 -7.242 1.00 0.20 C ATOM 256 CG PHE A 204 -2.413 -0.036 -7.148 1.00 0.22 C ATOM 257 CD1 PHE A 204 -2.573 -0.800 -8.291 1.00 1.19 C ATOM 258 CD2 PHE A 204 -2.626 -0.628 -5.914 1.00 1.24 C ATOM 259 CE1 PHE A 204 -2.933 -2.132 -8.202 1.00 1.20 C ATOM 260 CE2 PHE A 204 -2.991 -1.955 -5.821 1.00 1.26 C ATOM 261 CZ PHE A 204 -3.145 -2.708 -6.965 1.00 0.31 C ATOM 0 H PHE A 204 -2.029 3.895 -7.036 1.00 0.15 H new ATOM 0 HA PHE A 204 -3.431 2.108 -8.724 1.00 0.17 H new ATOM 0 HB2 PHE A 204 -1.232 1.540 -7.955 1.00 0.20 H new ATOM 0 HB3 PHE A 204 -1.679 1.761 -6.275 1.00 0.20 H new ATOM 0 HD1 PHE A 204 -2.415 -0.352 -9.261 1.00 1.19 H new ATOM 0 HD2 PHE A 204 -2.505 -0.044 -5.014 1.00 1.24 H new ATOM 0 HE1 PHE A 204 -3.048 -2.722 -9.099 1.00 1.20 H new ATOM 0 HE2 PHE A 204 -3.156 -2.404 -4.852 1.00 1.26 H new ATOM 0 HZ PHE A 204 -3.431 -3.747 -6.894 1.00 0.31 H new ATOM 271 N LEU A 205 -4.520 2.544 -5.655 1.00 0.16 N ATOM 272 CA LEU A 205 -5.645 2.330 -4.764 1.00 0.17 C ATOM 273 C LEU A 205 -6.924 2.887 -5.375 1.00 0.17 C ATOM 274 O LEU A 205 -7.994 2.330 -5.191 1.00 0.19 O ATOM 275 CB LEU A 205 -5.374 2.969 -3.400 1.00 0.17 C ATOM 276 CG LEU A 205 -4.778 2.037 -2.336 1.00 0.17 C ATOM 277 CD1 LEU A 205 -3.624 1.221 -2.895 1.00 0.18 C ATOM 278 CD2 LEU A 205 -4.311 2.848 -1.140 1.00 0.15 C ATOM 0 H LEU A 205 -3.806 3.174 -5.289 1.00 0.16 H new ATOM 0 HA LEU A 205 -5.775 1.257 -4.621 1.00 0.17 H new ATOM 0 HB2 LEU A 205 -4.695 3.810 -3.542 1.00 0.17 H new ATOM 0 HB3 LEU A 205 -6.310 3.376 -3.017 1.00 0.17 H new ATOM 0 HG LEU A 205 -5.557 1.343 -2.022 1.00 0.17 H new ATOM 0 HD11 LEU A 205 -3.226 0.572 -2.115 1.00 0.18 H new ATOM 0 HD12 LEU A 205 -3.978 0.613 -3.727 1.00 0.18 H new ATOM 0 HD13 LEU A 205 -2.839 1.892 -3.244 1.00 0.18 H new ATOM 0 HD21 LEU A 205 -3.889 2.180 -0.389 1.00 0.15 H new ATOM 0 HD22 LEU A 205 -3.551 3.561 -1.459 1.00 0.15 H new ATOM 0 HD23 LEU A 205 -5.157 3.386 -0.712 1.00 0.15 H new ATOM 290 N GLU A 206 -6.807 3.980 -6.115 1.00 0.17 N ATOM 291 CA GLU A 206 -7.948 4.547 -6.815 1.00 0.19 C ATOM 292 C GLU A 206 -8.431 3.598 -7.903 1.00 0.21 C ATOM 293 O GLU A 206 -9.629 3.381 -8.058 1.00 0.24 O ATOM 294 CB GLU A 206 -7.593 5.901 -7.430 1.00 0.21 C ATOM 295 CG GLU A 206 -7.317 6.993 -6.409 1.00 0.23 C ATOM 296 CD GLU A 206 -7.101 8.345 -7.057 1.00 0.30 C ATOM 297 OE1 GLU A 206 -5.960 8.642 -7.475 1.00 1.13 O ATOM 298 OE2 GLU A 206 -8.075 9.115 -7.167 1.00 1.12 O ATOM 0 H GLU A 206 -5.934 4.491 -6.246 1.00 0.17 H new ATOM 0 HA GLU A 206 -8.748 4.693 -6.089 1.00 0.19 H new ATOM 0 HB2 GLU A 206 -6.715 5.781 -8.064 1.00 0.21 H new ATOM 0 HB3 GLU A 206 -8.411 6.220 -8.076 1.00 0.21 H new ATOM 0 HG2 GLU A 206 -8.153 7.056 -5.713 1.00 0.23 H new ATOM 0 HG3 GLU A 206 -6.436 6.727 -5.826 1.00 0.23 H new ATOM 305 N GLN A 207 -7.490 3.036 -8.652 1.00 0.22 N ATOM 306 CA GLN A 207 -7.819 2.100 -9.724 1.00 0.26 C ATOM 307 C GLN A 207 -8.500 0.844 -9.187 1.00 0.26 C ATOM 308 O GLN A 207 -9.531 0.414 -9.701 1.00 0.27 O ATOM 309 CB GLN A 207 -6.555 1.694 -10.479 1.00 0.34 C ATOM 310 CG GLN A 207 -5.787 2.864 -11.061 1.00 0.41 C ATOM 311 CD GLN A 207 -4.582 2.420 -11.861 1.00 0.54 C ATOM 312 OE1 GLN A 207 -3.482 2.277 -11.325 1.00 0.80 O ATOM 313 NE2 GLN A 207 -4.776 2.194 -13.149 1.00 1.13 N ATOM 0 H GLN A 207 -6.492 3.211 -8.538 1.00 0.22 H new ATOM 0 HA GLN A 207 -8.509 2.609 -10.397 1.00 0.26 H new ATOM 0 HB2 GLN A 207 -5.901 1.142 -9.804 1.00 0.34 H new ATOM 0 HB3 GLN A 207 -6.828 1.013 -11.285 1.00 0.34 H new ATOM 0 HG2 GLN A 207 -6.449 3.448 -11.700 1.00 0.41 H new ATOM 0 HG3 GLN A 207 -5.462 3.520 -10.253 1.00 0.41 H new ATOM 0 HE21 GLN A 207 -5.702 2.324 -13.556 1.00 1.13 H new ATOM 0 HE22 GLN A 207 -3.999 1.890 -13.736 1.00 1.13 H new ATOM 322 N ARG A 208 -7.909 0.259 -8.158 1.00 0.29 N ATOM 323 CA ARG A 208 -8.363 -1.020 -7.631 1.00 0.35 C ATOM 324 C ARG A 208 -9.614 -0.858 -6.763 1.00 0.36 C ATOM 325 O ARG A 208 -10.557 -1.639 -6.864 1.00 0.41 O ATOM 326 CB ARG A 208 -7.230 -1.660 -6.824 1.00 0.40 C ATOM 327 CG ARG A 208 -7.328 -3.172 -6.675 1.00 0.71 C ATOM 328 CD ARG A 208 -7.373 -3.870 -8.026 1.00 0.48 C ATOM 329 NE ARG A 208 -6.857 -5.242 -7.954 1.00 1.25 N ATOM 330 CZ ARG A 208 -7.617 -6.339 -7.964 1.00 1.28 C ATOM 331 NH1 ARG A 208 -8.941 -6.243 -7.997 1.00 1.59 N ATOM 332 NH2 ARG A 208 -7.046 -7.537 -7.941 1.00 1.97 N ATOM 0 H ARG A 208 -7.107 0.653 -7.667 1.00 0.29 H new ATOM 0 HA ARG A 208 -8.631 -1.667 -8.467 1.00 0.35 H new ATOM 0 HB2 ARG A 208 -6.281 -1.417 -7.301 1.00 0.40 H new ATOM 0 HB3 ARG A 208 -7.212 -1.211 -5.831 1.00 0.40 H new ATOM 0 HG2 ARG A 208 -6.474 -3.537 -6.105 1.00 0.71 H new ATOM 0 HG3 ARG A 208 -8.222 -3.424 -6.105 1.00 0.71 H new ATOM 0 HD2 ARG A 208 -8.400 -3.888 -8.391 1.00 0.48 H new ATOM 0 HD3 ARG A 208 -6.788 -3.300 -8.748 1.00 0.48 H new ATOM 0 HE ARG A 208 -5.846 -5.366 -7.892 1.00 1.25 H new ATOM 0 HH11 ARG A 208 -9.385 -5.325 -8.015 1.00 1.59 H new ATOM 0 HH12 ARG A 208 -9.514 -7.087 -8.004 1.00 1.59 H new ATOM 0 HH21 ARG A 208 -6.029 -7.617 -7.916 1.00 1.97 H new ATOM 0 HH22 ARG A 208 -7.624 -8.378 -7.949 1.00 1.97 H new ATOM 346 N LEU A 209 -9.609 0.157 -5.912 1.00 0.33 N ATOM 347 CA LEU A 209 -10.705 0.378 -4.966 1.00 0.36 C ATOM 348 C LEU A 209 -11.856 1.147 -5.592 1.00 0.39 C ATOM 349 O LEU A 209 -12.996 1.051 -5.133 1.00 0.45 O ATOM 350 CB LEU A 209 -10.207 1.142 -3.734 1.00 0.32 C ATOM 351 CG LEU A 209 -9.466 0.324 -2.669 1.00 0.33 C ATOM 352 CD1 LEU A 209 -8.542 -0.707 -3.292 1.00 0.33 C ATOM 353 CD2 LEU A 209 -8.670 1.254 -1.773 1.00 0.38 C ATOM 0 H LEU A 209 -8.858 0.845 -5.853 1.00 0.33 H new ATOM 0 HA LEU A 209 -11.069 -0.607 -4.673 1.00 0.36 H new ATOM 0 HB2 LEU A 209 -9.545 1.939 -4.073 1.00 0.32 H new ATOM 0 HB3 LEU A 209 -11.065 1.620 -3.260 1.00 0.32 H new ATOM 0 HG LEU A 209 -10.211 -0.211 -2.080 1.00 0.33 H new ATOM 0 HD11 LEU A 209 -8.036 -1.265 -2.504 1.00 0.33 H new ATOM 0 HD12 LEU A 209 -9.124 -1.393 -3.906 1.00 0.33 H new ATOM 0 HD13 LEU A 209 -7.801 -0.204 -3.913 1.00 0.33 H new ATOM 0 HD21 LEU A 209 -8.145 0.670 -1.017 1.00 0.38 H new ATOM 0 HD22 LEU A 209 -7.946 1.806 -2.373 1.00 0.38 H new ATOM 0 HD23 LEU A 209 -9.346 1.955 -1.284 1.00 0.38 H new ATOM 365 N LYS A 210 -11.542 1.896 -6.649 1.00 0.35 N ATOM 366 CA LYS A 210 -12.510 2.753 -7.327 1.00 0.40 C ATOM 367 C LYS A 210 -13.126 3.759 -6.360 1.00 0.38 C ATOM 368 O LYS A 210 -14.302 4.108 -6.474 1.00 0.41 O ATOM 369 CB LYS A 210 -13.597 1.916 -8.006 1.00 0.49 C ATOM 370 CG LYS A 210 -13.094 1.128 -9.205 1.00 0.91 C ATOM 371 CD LYS A 210 -12.599 2.051 -10.309 1.00 1.06 C ATOM 372 CE LYS A 210 -12.089 1.277 -11.512 1.00 1.62 C ATOM 373 NZ LYS A 210 -13.155 0.458 -12.145 1.00 2.19 N ATOM 0 H LYS A 210 -10.608 1.925 -7.058 1.00 0.35 H new ATOM 0 HA LYS A 210 -11.979 3.311 -8.098 1.00 0.40 H new ATOM 0 HB2 LYS A 210 -14.020 1.224 -7.278 1.00 0.49 H new ATOM 0 HB3 LYS A 210 -14.405 2.574 -8.326 1.00 0.49 H new ATOM 0 HG2 LYS A 210 -12.287 0.465 -8.894 1.00 0.91 H new ATOM 0 HG3 LYS A 210 -13.895 0.496 -9.589 1.00 0.91 H new ATOM 0 HD2 LYS A 210 -13.409 2.711 -10.620 1.00 1.06 H new ATOM 0 HD3 LYS A 210 -11.802 2.685 -9.921 1.00 1.06 H new ATOM 0 HE2 LYS A 210 -11.685 1.974 -12.246 1.00 1.62 H new ATOM 0 HE3 LYS A 210 -11.269 0.628 -11.204 1.00 1.62 H new ATOM 0 HZ1 LYS A 210 -12.824 0.111 -13.068 1.00 2.19 H new ATOM 0 HZ2 LYS A 210 -13.382 -0.351 -11.532 1.00 2.19 H new ATOM 0 HZ3 LYS A 210 -14.006 1.040 -12.279 1.00 2.19 H new ATOM 387 N ASP A 211 -12.313 4.243 -5.427 1.00 0.34 N ATOM 388 CA ASP A 211 -12.778 5.178 -4.410 1.00 0.34 C ATOM 389 C ASP A 211 -11.607 5.987 -3.861 1.00 0.31 C ATOM 390 O ASP A 211 -10.676 5.437 -3.273 1.00 0.31 O ATOM 391 CB ASP A 211 -13.477 4.433 -3.270 1.00 0.37 C ATOM 392 CG ASP A 211 -14.065 5.375 -2.238 1.00 0.40 C ATOM 393 OD1 ASP A 211 -15.123 5.980 -2.509 1.00 1.12 O ATOM 394 OD2 ASP A 211 -13.470 5.525 -1.157 1.00 1.06 O ATOM 0 H ASP A 211 -11.325 4.002 -5.355 1.00 0.34 H new ATOM 0 HA ASP A 211 -13.494 5.857 -4.872 1.00 0.34 H new ATOM 0 HB2 ASP A 211 -14.270 3.808 -3.681 1.00 0.37 H new ATOM 0 HB3 ASP A 211 -12.764 3.766 -2.785 1.00 0.37 H new ATOM 399 N TYR A 212 -11.663 7.295 -4.072 1.00 0.30 N ATOM 400 CA TYR A 212 -10.593 8.196 -3.664 1.00 0.29 C ATOM 401 C TYR A 212 -10.492 8.286 -2.147 1.00 0.30 C ATOM 402 O TYR A 212 -9.395 8.375 -1.597 1.00 0.29 O ATOM 403 CB TYR A 212 -10.814 9.594 -4.254 1.00 0.32 C ATOM 404 CG TYR A 212 -9.835 10.628 -3.740 1.00 0.37 C ATOM 405 CD1 TYR A 212 -8.596 10.803 -4.340 1.00 1.12 C ATOM 406 CD2 TYR A 212 -10.146 11.416 -2.638 1.00 1.35 C ATOM 407 CE1 TYR A 212 -7.697 11.737 -3.860 1.00 1.14 C ATOM 408 CE2 TYR A 212 -9.252 12.345 -2.150 1.00 1.42 C ATOM 409 CZ TYR A 212 -8.029 12.503 -2.763 1.00 0.60 C ATOM 410 OH TYR A 212 -7.130 13.423 -2.269 1.00 0.74 O ATOM 0 H TYR A 212 -12.448 7.760 -4.529 1.00 0.30 H new ATOM 0 HA TYR A 212 -9.657 7.790 -4.046 1.00 0.29 H new ATOM 0 HB2 TYR A 212 -10.735 9.538 -5.340 1.00 0.32 H new ATOM 0 HB3 TYR A 212 -11.828 9.920 -4.025 1.00 0.32 H new ATOM 0 HD1 TYR A 212 -8.330 10.200 -5.196 1.00 1.12 H new ATOM 0 HD2 TYR A 212 -11.105 11.298 -2.156 1.00 1.35 H new ATOM 0 HE1 TYR A 212 -6.739 11.866 -4.342 1.00 1.14 H new ATOM 0 HE2 TYR A 212 -9.510 12.946 -1.291 1.00 1.42 H new ATOM 0 HH TYR A 212 -6.810 13.129 -1.390 1.00 0.74 H new ATOM 420 N ASP A 213 -11.636 8.264 -1.480 1.00 0.34 N ATOM 421 CA ASP A 213 -11.678 8.407 -0.028 1.00 0.37 C ATOM 422 C ASP A 213 -10.945 7.263 0.651 1.00 0.32 C ATOM 423 O ASP A 213 -10.079 7.488 1.500 1.00 0.29 O ATOM 424 CB ASP A 213 -13.123 8.473 0.471 1.00 0.49 C ATOM 425 CG ASP A 213 -13.798 9.782 0.118 1.00 1.15 C ATOM 426 OD1 ASP A 213 -13.702 10.740 0.917 1.00 1.63 O ATOM 427 OD2 ASP A 213 -14.427 9.865 -0.957 1.00 2.01 O ATOM 0 H ASP A 213 -12.549 8.149 -1.919 1.00 0.34 H new ATOM 0 HA ASP A 213 -11.178 9.341 0.228 1.00 0.37 H new ATOM 0 HB2 ASP A 213 -13.691 7.648 0.041 1.00 0.49 H new ATOM 0 HB3 ASP A 213 -13.137 8.341 1.553 1.00 0.49 H new ATOM 432 N GLU A 214 -11.278 6.042 0.253 1.00 0.34 N ATOM 433 CA GLU A 214 -10.639 4.851 0.794 1.00 0.34 C ATOM 434 C GLU A 214 -9.159 4.849 0.442 1.00 0.25 C ATOM 435 O GLU A 214 -8.315 4.475 1.253 1.00 0.25 O ATOM 436 CB GLU A 214 -11.302 3.593 0.227 1.00 0.43 C ATOM 437 CG GLU A 214 -10.844 2.303 0.889 1.00 0.56 C ATOM 438 CD GLU A 214 -11.512 2.065 2.225 1.00 0.74 C ATOM 439 OE1 GLU A 214 -11.205 2.787 3.192 1.00 1.24 O ATOM 440 OE2 GLU A 214 -12.362 1.151 2.310 1.00 1.48 O ATOM 0 H GLU A 214 -11.993 5.851 -0.449 1.00 0.34 H new ATOM 0 HA GLU A 214 -10.751 4.857 1.878 1.00 0.34 H new ATOM 0 HB2 GLU A 214 -12.383 3.683 0.337 1.00 0.43 H new ATOM 0 HB3 GLU A 214 -11.094 3.535 -0.841 1.00 0.43 H new ATOM 0 HG2 GLU A 214 -11.056 1.464 0.226 1.00 0.56 H new ATOM 0 HG3 GLU A 214 -9.763 2.334 1.028 1.00 0.56 H new ATOM 447 N ALA A 215 -8.851 5.312 -0.762 1.00 0.20 N ATOM 448 CA ALA A 215 -7.482 5.306 -1.258 1.00 0.17 C ATOM 449 C ALA A 215 -6.611 6.253 -0.441 1.00 0.15 C ATOM 450 O ALA A 215 -5.471 5.939 -0.099 1.00 0.15 O ATOM 451 CB ALA A 215 -7.458 5.698 -2.730 1.00 0.16 C ATOM 0 H ALA A 215 -9.533 5.698 -1.415 1.00 0.20 H new ATOM 0 HA ALA A 215 -7.079 4.298 -1.156 1.00 0.17 H new ATOM 0 HB1 ALA A 215 -6.430 5.691 -3.092 1.00 0.16 H new ATOM 0 HB2 ALA A 215 -8.050 4.987 -3.306 1.00 0.16 H new ATOM 0 HB3 ALA A 215 -7.877 6.698 -2.847 1.00 0.16 H new ATOM 457 N ASN A 216 -7.166 7.413 -0.127 1.00 0.17 N ATOM 458 CA ASN A 216 -6.455 8.427 0.637 1.00 0.18 C ATOM 459 C ASN A 216 -6.292 7.979 2.085 1.00 0.18 C ATOM 460 O ASN A 216 -5.223 8.142 2.678 1.00 0.18 O ATOM 461 CB ASN A 216 -7.212 9.756 0.573 1.00 0.22 C ATOM 462 CG ASN A 216 -6.311 10.970 0.735 1.00 0.33 C ATOM 463 OD1 ASN A 216 -6.572 12.022 0.152 1.00 0.63 O ATOM 464 ND2 ASN A 216 -5.248 10.841 1.514 1.00 0.35 N ATOM 0 H ASN A 216 -8.115 7.677 -0.392 1.00 0.17 H new ATOM 0 HA ASN A 216 -5.464 8.566 0.204 1.00 0.18 H new ATOM 0 HB2 ASN A 216 -7.733 9.824 -0.382 1.00 0.22 H new ATOM 0 HB3 ASN A 216 -7.973 9.770 1.353 1.00 0.22 H new ATOM 0 HD21 ASN A 216 -4.614 11.629 1.646 1.00 0.35 H new ATOM 0 HD22 ASN A 216 -5.063 9.954 1.982 1.00 0.35 H new ATOM 471 N LYS A 217 -7.353 7.398 2.639 1.00 0.19 N ATOM 472 CA LYS A 217 -7.328 6.886 4.005 1.00 0.19 C ATOM 473 C LYS A 217 -6.263 5.817 4.157 1.00 0.17 C ATOM 474 O LYS A 217 -5.510 5.808 5.129 1.00 0.18 O ATOM 475 CB LYS A 217 -8.685 6.298 4.383 1.00 0.22 C ATOM 476 CG LYS A 217 -9.761 7.338 4.640 1.00 0.27 C ATOM 477 CD LYS A 217 -11.116 6.690 4.884 1.00 0.37 C ATOM 478 CE LYS A 217 -11.063 5.670 6.013 1.00 1.17 C ATOM 479 NZ LYS A 217 -10.584 6.263 7.292 1.00 1.99 N ATOM 0 H LYS A 217 -8.244 7.270 2.160 1.00 0.19 H new ATOM 0 HA LYS A 217 -7.098 7.720 4.669 1.00 0.19 H new ATOM 0 HB2 LYS A 217 -9.018 5.636 3.583 1.00 0.22 H new ATOM 0 HB3 LYS A 217 -8.567 5.684 5.276 1.00 0.22 H new ATOM 0 HG2 LYS A 217 -9.485 7.943 5.504 1.00 0.27 H new ATOM 0 HG3 LYS A 217 -9.828 8.013 3.787 1.00 0.27 H new ATOM 0 HD2 LYS A 217 -11.849 7.460 5.125 1.00 0.37 H new ATOM 0 HD3 LYS A 217 -11.455 6.202 3.970 1.00 0.37 H new ATOM 0 HE2 LYS A 217 -12.056 5.245 6.162 1.00 1.17 H new ATOM 0 HE3 LYS A 217 -10.405 4.850 5.727 1.00 1.17 H new ATOM 0 HZ1 LYS A 217 -10.662 5.558 8.052 1.00 1.99 H new ATOM 0 HZ2 LYS A 217 -9.591 6.554 7.189 1.00 1.99 H new ATOM 0 HZ3 LYS A 217 -11.165 7.093 7.529 1.00 1.99 H new ATOM 493 N LEU A 218 -6.188 4.936 3.172 1.00 0.16 N ATOM 494 CA LEU A 218 -5.242 3.841 3.218 1.00 0.15 C ATOM 495 C LEU A 218 -3.834 4.355 2.983 1.00 0.13 C ATOM 496 O LEU A 218 -2.885 3.851 3.556 1.00 0.14 O ATOM 497 CB LEU A 218 -5.597 2.760 2.204 1.00 0.16 C ATOM 498 CG LEU A 218 -6.884 1.990 2.498 1.00 0.17 C ATOM 499 CD1 LEU A 218 -7.091 0.907 1.459 1.00 0.20 C ATOM 500 CD2 LEU A 218 -6.848 1.389 3.896 1.00 0.20 C ATOM 0 H LEU A 218 -6.770 4.960 2.335 1.00 0.16 H new ATOM 0 HA LEU A 218 -5.291 3.392 4.210 1.00 0.15 H new ATOM 0 HB2 LEU A 218 -5.685 3.222 1.221 1.00 0.16 H new ATOM 0 HB3 LEU A 218 -4.772 2.050 2.150 1.00 0.16 H new ATOM 0 HG LEU A 218 -7.722 2.686 2.452 1.00 0.17 H new ATOM 0 HD11 LEU A 218 -8.011 0.364 1.677 1.00 0.20 H new ATOM 0 HD12 LEU A 218 -7.163 1.360 0.470 1.00 0.20 H new ATOM 0 HD13 LEU A 218 -6.248 0.216 1.481 1.00 0.20 H new ATOM 0 HD21 LEU A 218 -7.774 0.846 4.083 1.00 0.20 H new ATOM 0 HD22 LEU A 218 -6.004 0.704 3.976 1.00 0.20 H new ATOM 0 HD23 LEU A 218 -6.740 2.186 4.632 1.00 0.20 H new ATOM 512 N ARG A 219 -3.706 5.368 2.135 1.00 0.13 N ATOM 513 CA ARG A 219 -2.413 5.992 1.879 1.00 0.13 C ATOM 514 C ARG A 219 -1.813 6.507 3.185 1.00 0.12 C ATOM 515 O ARG A 219 -0.635 6.292 3.473 1.00 0.12 O ATOM 516 CB ARG A 219 -2.564 7.148 0.889 1.00 0.13 C ATOM 517 CG ARG A 219 -1.244 7.632 0.312 1.00 0.19 C ATOM 518 CD ARG A 219 -1.402 8.973 -0.387 1.00 0.17 C ATOM 519 NE ARG A 219 -1.464 10.084 0.564 1.00 0.54 N ATOM 520 CZ ARG A 219 -1.740 11.346 0.230 1.00 0.79 C ATOM 521 NH1 ARG A 219 -2.040 11.662 -1.022 1.00 0.61 N ATOM 522 NH2 ARG A 219 -1.725 12.292 1.159 1.00 1.29 N ATOM 0 H ARG A 219 -4.482 5.775 1.613 1.00 0.13 H new ATOM 0 HA ARG A 219 -1.747 5.244 1.448 1.00 0.13 H new ATOM 0 HB2 ARG A 219 -3.214 6.833 0.073 1.00 0.13 H new ATOM 0 HB3 ARG A 219 -3.060 7.981 1.388 1.00 0.13 H new ATOM 0 HG2 ARG A 219 -0.507 7.721 1.110 1.00 0.19 H new ATOM 0 HG3 ARG A 219 -0.862 6.895 -0.394 1.00 0.19 H new ATOM 0 HD2 ARG A 219 -0.566 9.127 -1.070 1.00 0.17 H new ATOM 0 HD3 ARG A 219 -2.309 8.962 -0.991 1.00 0.17 H new ATOM 0 HE ARG A 219 -1.284 9.880 1.547 1.00 0.54 H new ATOM 0 HH11 ARG A 219 -2.061 10.938 -1.740 1.00 0.61 H new ATOM 0 HH12 ARG A 219 -2.250 12.630 -1.268 1.00 0.61 H new ATOM 0 HH21 ARG A 219 -1.503 12.054 2.126 1.00 1.29 H new ATOM 0 HH22 ARG A 219 -1.936 13.258 0.907 1.00 1.29 H new ATOM 536 N VAL A 220 -2.651 7.153 3.988 1.00 0.13 N ATOM 537 CA VAL A 220 -2.209 7.732 5.250 1.00 0.14 C ATOM 538 C VAL A 220 -1.920 6.631 6.264 1.00 0.14 C ATOM 539 O VAL A 220 -0.859 6.601 6.887 1.00 0.15 O ATOM 540 CB VAL A 220 -3.263 8.696 5.834 1.00 0.16 C ATOM 541 CG1 VAL A 220 -2.788 9.276 7.159 1.00 0.19 C ATOM 542 CG2 VAL A 220 -3.580 9.805 4.844 1.00 0.16 C ATOM 0 H VAL A 220 -3.642 7.289 3.786 1.00 0.13 H new ATOM 0 HA VAL A 220 -1.299 8.297 5.047 1.00 0.14 H new ATOM 0 HB VAL A 220 -4.177 8.131 6.019 1.00 0.16 H new ATOM 0 HG11 VAL A 220 -3.546 9.953 7.553 1.00 0.19 H new ATOM 0 HG12 VAL A 220 -2.619 8.468 7.870 1.00 0.19 H new ATOM 0 HG13 VAL A 220 -1.858 9.824 7.004 1.00 0.19 H new ATOM 0 HG21 VAL A 220 -4.325 10.474 5.274 1.00 0.16 H new ATOM 0 HG22 VAL A 220 -2.672 10.366 4.623 1.00 0.16 H new ATOM 0 HG23 VAL A 220 -3.971 9.371 3.924 1.00 0.16 H new ATOM 552 N LEU A 221 -2.875 5.721 6.391 1.00 0.13 N ATOM 553 CA LEU A 221 -2.799 4.622 7.345 1.00 0.13 C ATOM 554 C LEU A 221 -1.563 3.767 7.088 1.00 0.11 C ATOM 555 O LEU A 221 -0.793 3.470 8.000 1.00 0.12 O ATOM 556 CB LEU A 221 -4.068 3.771 7.239 1.00 0.15 C ATOM 557 CG LEU A 221 -4.105 2.513 8.106 1.00 0.16 C ATOM 558 CD1 LEU A 221 -4.012 2.867 9.585 1.00 0.20 C ATOM 559 CD2 LEU A 221 -5.374 1.723 7.822 1.00 0.26 C ATOM 0 H LEU A 221 -3.729 5.724 5.833 1.00 0.13 H new ATOM 0 HA LEU A 221 -2.720 5.031 8.352 1.00 0.13 H new ATOM 0 HB2 LEU A 221 -4.923 4.394 7.501 1.00 0.15 H new ATOM 0 HB3 LEU A 221 -4.197 3.475 6.198 1.00 0.15 H new ATOM 0 HG LEU A 221 -3.242 1.895 7.856 1.00 0.16 H new ATOM 0 HD11 LEU A 221 -4.041 1.954 10.180 1.00 0.20 H new ATOM 0 HD12 LEU A 221 -3.077 3.395 9.775 1.00 0.20 H new ATOM 0 HD13 LEU A 221 -4.852 3.506 9.860 1.00 0.20 H new ATOM 0 HD21 LEU A 221 -5.392 0.828 8.444 1.00 0.26 H new ATOM 0 HD22 LEU A 221 -6.244 2.339 8.047 1.00 0.26 H new ATOM 0 HD23 LEU A 221 -5.396 1.435 6.771 1.00 0.26 H new ATOM 571 N PHE A 222 -1.374 3.397 5.833 1.00 0.10 N ATOM 572 CA PHE A 222 -0.247 2.571 5.435 1.00 0.10 C ATOM 573 C PHE A 222 1.061 3.314 5.647 1.00 0.10 C ATOM 574 O PHE A 222 2.049 2.726 6.077 1.00 0.11 O ATOM 575 CB PHE A 222 -0.364 2.152 3.967 1.00 0.10 C ATOM 576 CG PHE A 222 -1.530 1.246 3.659 1.00 0.10 C ATOM 577 CD1 PHE A 222 -2.340 0.753 4.670 1.00 1.23 C ATOM 578 CD2 PHE A 222 -1.813 0.889 2.348 1.00 1.16 C ATOM 579 CE1 PHE A 222 -3.406 -0.074 4.382 1.00 1.25 C ATOM 580 CE2 PHE A 222 -2.878 0.060 2.056 1.00 1.15 C ATOM 581 CZ PHE A 222 -3.675 -0.422 3.073 1.00 0.12 C ATOM 0 H PHE A 222 -1.993 3.659 5.066 1.00 0.10 H new ATOM 0 HA PHE A 222 -0.257 1.676 6.057 1.00 0.10 H new ATOM 0 HB2 PHE A 222 -0.447 3.049 3.353 1.00 0.10 H new ATOM 0 HB3 PHE A 222 0.557 1.648 3.673 1.00 0.10 H new ATOM 0 HD1 PHE A 222 -2.134 1.020 5.696 1.00 1.23 H new ATOM 0 HD2 PHE A 222 -1.193 1.264 1.547 1.00 1.16 H new ATOM 0 HE1 PHE A 222 -4.030 -0.449 5.180 1.00 1.25 H new ATOM 0 HE2 PHE A 222 -3.087 -0.211 1.032 1.00 1.15 H new ATOM 0 HZ PHE A 222 -4.508 -1.071 2.846 1.00 0.12 H new ATOM 591 N LYS A 223 1.064 4.611 5.358 1.00 0.10 N ATOM 592 CA LYS A 223 2.265 5.411 5.534 1.00 0.11 C ATOM 593 C LYS A 223 2.640 5.509 7.005 1.00 0.12 C ATOM 594 O LYS A 223 3.819 5.532 7.350 1.00 0.14 O ATOM 595 CB LYS A 223 2.093 6.810 4.949 1.00 0.12 C ATOM 596 CG LYS A 223 3.382 7.612 4.957 1.00 0.13 C ATOM 597 CD LYS A 223 3.196 8.989 4.348 1.00 0.20 C ATOM 598 CE LYS A 223 4.527 9.700 4.197 1.00 0.25 C ATOM 599 NZ LYS A 223 4.361 11.089 3.702 1.00 0.36 N ATOM 0 H LYS A 223 0.256 5.124 5.005 1.00 0.10 H new ATOM 0 HA LYS A 223 3.070 4.910 4.996 1.00 0.11 H new ATOM 0 HB2 LYS A 223 1.727 6.729 3.925 1.00 0.12 H new ATOM 0 HB3 LYS A 223 1.333 7.346 5.518 1.00 0.12 H new ATOM 0 HG2 LYS A 223 3.740 7.714 5.982 1.00 0.13 H new ATOM 0 HG3 LYS A 223 4.149 7.071 4.403 1.00 0.13 H new ATOM 0 HD2 LYS A 223 2.716 8.898 3.374 1.00 0.20 H new ATOM 0 HD3 LYS A 223 2.532 9.582 4.977 1.00 0.20 H new ATOM 0 HE2 LYS A 223 5.041 9.716 5.158 1.00 0.25 H new ATOM 0 HE3 LYS A 223 5.160 9.142 3.507 1.00 0.25 H new ATOM 0 HZ1 LYS A 223 4.960 11.233 2.864 1.00 0.36 H new ATOM 0 HZ2 LYS A 223 3.366 11.250 3.447 1.00 0.36 H new ATOM 0 HZ3 LYS A 223 4.641 11.759 4.447 1.00 0.36 H new ATOM 613 N GLU A 224 1.641 5.535 7.875 1.00 0.12 N ATOM 614 CA GLU A 224 1.891 5.625 9.305 1.00 0.13 C ATOM 615 C GLU A 224 2.333 4.275 9.848 1.00 0.13 C ATOM 616 O GLU A 224 3.091 4.199 10.816 1.00 0.15 O ATOM 617 CB GLU A 224 0.652 6.123 10.044 1.00 0.16 C ATOM 618 CG GLU A 224 0.300 7.562 9.714 1.00 0.24 C ATOM 619 CD GLU A 224 1.466 8.505 9.933 1.00 1.36 C ATOM 620 OE1 GLU A 224 1.907 8.654 11.092 1.00 2.28 O ATOM 621 OE2 GLU A 224 1.950 9.104 8.949 1.00 1.92 O ATOM 0 H GLU A 224 0.655 5.495 7.617 1.00 0.12 H new ATOM 0 HA GLU A 224 2.692 6.346 9.469 1.00 0.13 H new ATOM 0 HB2 GLU A 224 -0.194 5.482 9.795 1.00 0.16 H new ATOM 0 HB3 GLU A 224 0.816 6.032 11.118 1.00 0.16 H new ATOM 0 HG2 GLU A 224 -0.025 7.625 8.675 1.00 0.24 H new ATOM 0 HG3 GLU A 224 -0.541 7.878 10.331 1.00 0.24 H new ATOM 628 N ALA A 225 1.864 3.215 9.207 1.00 0.13 N ATOM 629 CA ALA A 225 2.309 1.869 9.528 1.00 0.15 C ATOM 630 C ALA A 225 3.774 1.722 9.159 1.00 0.15 C ATOM 631 O ALA A 225 4.574 1.175 9.917 1.00 0.16 O ATOM 632 CB ALA A 225 1.469 0.841 8.790 1.00 0.15 C ATOM 0 H ALA A 225 1.173 3.262 8.459 1.00 0.13 H new ATOM 0 HA ALA A 225 2.190 1.697 10.598 1.00 0.15 H new ATOM 0 HB1 ALA A 225 1.816 -0.161 9.042 1.00 0.15 H new ATOM 0 HB2 ALA A 225 0.424 0.947 9.082 1.00 0.15 H new ATOM 0 HB3 ALA A 225 1.563 0.998 7.715 1.00 0.15 H new ATOM 638 N TRP A 226 4.116 2.255 7.994 1.00 0.15 N ATOM 639 CA TRP A 226 5.487 2.279 7.517 1.00 0.16 C ATOM 640 C TRP A 226 6.349 3.127 8.450 1.00 0.17 C ATOM 641 O TRP A 226 7.502 2.797 8.717 1.00 0.18 O ATOM 642 CB TRP A 226 5.527 2.826 6.086 1.00 0.16 C ATOM 643 CG TRP A 226 6.905 3.122 5.593 1.00 0.16 C ATOM 644 CD1 TRP A 226 7.860 2.221 5.227 1.00 0.17 C ATOM 645 CD2 TRP A 226 7.479 4.416 5.414 1.00 0.16 C ATOM 646 NE1 TRP A 226 8.999 2.878 4.834 1.00 0.17 N ATOM 647 CE2 TRP A 226 8.787 4.231 4.940 1.00 0.17 C ATOM 648 CE3 TRP A 226 7.006 5.716 5.612 1.00 0.17 C ATOM 649 CZ2 TRP A 226 9.632 5.300 4.660 1.00 0.18 C ATOM 650 CZ3 TRP A 226 7.843 6.774 5.336 1.00 0.18 C ATOM 651 CH2 TRP A 226 9.143 6.563 4.864 1.00 0.19 C ATOM 0 H TRP A 226 3.447 2.683 7.354 1.00 0.15 H new ATOM 0 HA TRP A 226 5.888 1.265 7.511 1.00 0.16 H new ATOM 0 HB2 TRP A 226 5.059 2.103 5.417 1.00 0.16 H new ATOM 0 HB3 TRP A 226 4.930 3.737 6.038 1.00 0.16 H new ATOM 0 HD1 TRP A 226 7.738 1.148 5.244 1.00 0.17 H new ATOM 0 HE1 TRP A 226 9.861 2.435 4.516 1.00 0.17 H new ATOM 0 HE3 TRP A 226 6.003 5.888 5.975 1.00 0.17 H new ATOM 0 HZ2 TRP A 226 10.636 5.140 4.295 1.00 0.18 H new ATOM 0 HZ3 TRP A 226 7.490 7.784 5.486 1.00 0.18 H new ATOM 0 HH2 TRP A 226 9.774 7.414 4.656 1.00 0.19 H new ATOM 662 N ARG A 227 5.773 4.208 8.956 1.00 0.18 N ATOM 663 CA ARG A 227 6.451 5.052 9.927 1.00 0.21 C ATOM 664 C ARG A 227 6.751 4.273 11.200 1.00 0.24 C ATOM 665 O ARG A 227 7.807 4.439 11.809 1.00 0.25 O ATOM 666 CB ARG A 227 5.605 6.282 10.259 1.00 0.24 C ATOM 667 CG ARG A 227 5.566 7.316 9.148 1.00 0.27 C ATOM 668 CD ARG A 227 6.932 7.937 8.925 1.00 0.37 C ATOM 669 NE ARG A 227 6.894 9.000 7.925 1.00 0.98 N ATOM 670 CZ ARG A 227 7.975 9.481 7.313 1.00 1.26 C ATOM 671 NH1 ARG A 227 9.182 9.020 7.628 1.00 0.71 N ATOM 672 NH2 ARG A 227 7.853 10.431 6.393 1.00 2.25 N ATOM 0 H ARG A 227 4.834 4.521 8.709 1.00 0.18 H new ATOM 0 HA ARG A 227 7.392 5.381 9.486 1.00 0.21 H new ATOM 0 HB2 ARG A 227 4.587 5.962 10.481 1.00 0.24 H new ATOM 0 HB3 ARG A 227 5.997 6.748 11.163 1.00 0.24 H new ATOM 0 HG2 ARG A 227 5.222 6.849 8.225 1.00 0.27 H new ATOM 0 HG3 ARG A 227 4.846 8.095 9.399 1.00 0.27 H new ATOM 0 HD2 ARG A 227 7.305 8.339 9.867 1.00 0.37 H new ATOM 0 HD3 ARG A 227 7.633 7.165 8.607 1.00 0.37 H new ATOM 0 HE ARG A 227 5.987 9.397 7.681 1.00 0.98 H new ATOM 0 HH11 ARG A 227 9.282 8.296 8.340 1.00 0.71 H new ATOM 0 HH12 ARG A 227 10.008 9.390 7.158 1.00 0.71 H new ATOM 0 HH21 ARG A 227 6.930 10.794 6.154 1.00 2.25 H new ATOM 0 HH22 ARG A 227 8.682 10.798 5.926 1.00 2.25 H new ATOM 686 N SER A 228 5.822 3.408 11.594 1.00 0.28 N ATOM 687 CA SER A 228 5.985 2.594 12.788 1.00 0.33 C ATOM 688 C SER A 228 6.971 1.452 12.541 1.00 0.35 C ATOM 689 O SER A 228 7.404 0.776 13.476 1.00 0.40 O ATOM 690 CB SER A 228 4.621 2.041 13.222 1.00 0.36 C ATOM 691 OG SER A 228 4.692 1.414 14.493 1.00 1.16 O ATOM 0 H SER A 228 4.944 3.254 11.098 1.00 0.28 H new ATOM 0 HA SER A 228 6.390 3.218 13.585 1.00 0.33 H new ATOM 0 HB2 SER A 228 3.893 2.852 13.256 1.00 0.36 H new ATOM 0 HB3 SER A 228 4.266 1.324 12.481 1.00 0.36 H new ATOM 0 HG SER A 228 5.612 1.124 14.664 1.00 1.16 H new ATOM 697 N SER A 229 7.343 1.258 11.279 1.00 0.34 N ATOM 698 CA SER A 229 8.281 0.210 10.907 1.00 0.37 C ATOM 699 C SER A 229 9.704 0.633 11.270 1.00 0.38 C ATOM 700 O SER A 229 10.647 -0.153 11.164 1.00 0.42 O ATOM 701 CB SER A 229 8.171 -0.092 9.407 1.00 0.34 C ATOM 702 OG SER A 229 8.931 -1.233 9.042 1.00 0.93 O ATOM 0 H SER A 229 7.006 1.817 10.495 1.00 0.34 H new ATOM 0 HA SER A 229 8.037 -0.699 11.457 1.00 0.37 H new ATOM 0 HB2 SER A 229 7.125 -0.253 9.144 1.00 0.34 H new ATOM 0 HB3 SER A 229 8.514 0.771 8.836 1.00 0.34 H new ATOM 0 HG SER A 229 9.740 -1.278 9.594 1.00 0.93 H new ATOM 708 N PHE A 230 9.847 1.881 11.693 1.00 0.36 N ATOM 709 CA PHE A 230 11.126 2.393 12.156 1.00 0.39 C ATOM 710 C PHE A 230 11.140 2.453 13.677 1.00 0.52 C ATOM 711 O PHE A 230 10.691 3.472 14.241 1.00 1.20 O ATOM 712 CB PHE A 230 11.407 3.774 11.564 1.00 0.32 C ATOM 713 CG PHE A 230 11.521 3.769 10.068 1.00 0.30 C ATOM 714 CD1 PHE A 230 12.712 3.421 9.453 1.00 1.22 C ATOM 715 CD2 PHE A 230 10.436 4.108 9.278 1.00 1.21 C ATOM 716 CE1 PHE A 230 12.819 3.413 8.076 1.00 1.27 C ATOM 717 CE2 PHE A 230 10.537 4.102 7.903 1.00 1.21 C ATOM 718 CZ PHE A 230 11.730 3.753 7.299 1.00 0.47 C ATOM 719 OXT PHE A 230 11.574 1.466 14.306 1.00 1.24 O ATOM 0 H PHE A 230 9.087 2.560 11.724 1.00 0.36 H new ATOM 0 HA PHE A 230 11.912 1.717 11.820 1.00 0.39 H new ATOM 0 HB2 PHE A 230 10.609 4.456 11.858 1.00 0.32 H new ATOM 0 HB3 PHE A 230 12.332 4.162 11.990 1.00 0.32 H new ATOM 0 HD1 PHE A 230 13.566 3.153 10.057 1.00 1.22 H new ATOM 0 HD2 PHE A 230 9.500 4.380 9.744 1.00 1.21 H new ATOM 0 HE1 PHE A 230 13.753 3.141 7.608 1.00 1.27 H new ATOM 0 HE2 PHE A 230 9.684 4.370 7.298 1.00 1.21 H new ATOM 0 HZ PHE A 230 11.810 3.746 6.222 1.00 0.47 H new ATOM 777 N SER B 190 -14.328 -3.979 0.610 1.00 0.38 N ATOM 778 CA SER B 190 -14.535 -5.329 0.089 1.00 0.42 C ATOM 779 C SER B 190 -13.367 -5.806 -0.774 1.00 0.37 C ATOM 780 O SER B 190 -12.886 -6.927 -0.610 1.00 0.39 O ATOM 781 CB SER B 190 -15.825 -5.356 -0.731 1.00 0.54 C ATOM 782 OG SER B 190 -16.880 -4.719 -0.030 1.00 1.24 O ATOM 0 HA SER B 190 -14.606 -6.007 0.939 1.00 0.42 H new ATOM 0 HB2 SER B 190 -15.664 -4.857 -1.687 1.00 0.54 H new ATOM 0 HB3 SER B 190 -16.100 -6.388 -0.952 1.00 0.54 H new ATOM 0 HG SER B 190 -16.519 -3.981 0.504 1.00 1.24 H new ATOM 788 N VAL B 191 -12.903 -4.951 -1.680 1.00 0.34 N ATOM 789 CA VAL B 191 -11.807 -5.316 -2.568 1.00 0.29 C ATOM 790 C VAL B 191 -10.476 -5.304 -1.822 1.00 0.24 C ATOM 791 O VAL B 191 -9.581 -6.087 -2.122 1.00 0.24 O ATOM 792 CB VAL B 191 -11.733 -4.394 -3.807 1.00 0.29 C ATOM 793 CG1 VAL B 191 -11.611 -2.937 -3.405 1.00 0.34 C ATOM 794 CG2 VAL B 191 -10.575 -4.794 -4.709 1.00 0.30 C ATOM 0 H VAL B 191 -13.266 -4.008 -1.818 1.00 0.34 H new ATOM 0 HA VAL B 191 -12.006 -6.328 -2.920 1.00 0.29 H new ATOM 0 HB VAL B 191 -12.663 -4.513 -4.362 1.00 0.29 H new ATOM 0 HG11 VAL B 191 -11.561 -2.316 -4.299 1.00 0.34 H new ATOM 0 HG12 VAL B 191 -12.479 -2.650 -2.811 1.00 0.34 H new ATOM 0 HG13 VAL B 191 -10.705 -2.797 -2.815 1.00 0.34 H new ATOM 0 HG21 VAL B 191 -10.542 -4.132 -5.574 1.00 0.30 H new ATOM 0 HG22 VAL B 191 -9.639 -4.715 -4.156 1.00 0.30 H new ATOM 0 HG23 VAL B 191 -10.713 -5.822 -5.044 1.00 0.30 H new ATOM 804 N VAL B 192 -10.365 -4.442 -0.824 1.00 0.23 N ATOM 805 CA VAL B 192 -9.156 -4.362 -0.016 1.00 0.20 C ATOM 806 C VAL B 192 -9.026 -5.616 0.842 1.00 0.19 C ATOM 807 O VAL B 192 -7.944 -5.979 1.293 1.00 0.18 O ATOM 808 CB VAL B 192 -9.174 -3.125 0.904 1.00 0.19 C ATOM 809 CG1 VAL B 192 -7.859 -2.984 1.655 1.00 0.16 C ATOM 810 CG2 VAL B 192 -9.467 -1.869 0.106 1.00 0.22 C ATOM 0 H VAL B 192 -11.098 -3.786 -0.553 1.00 0.23 H new ATOM 0 HA VAL B 192 -8.307 -4.278 -0.694 1.00 0.20 H new ATOM 0 HB VAL B 192 -9.969 -3.263 1.636 1.00 0.19 H new ATOM 0 HG11 VAL B 192 -7.899 -2.104 2.296 1.00 0.16 H new ATOM 0 HG12 VAL B 192 -7.692 -3.871 2.266 1.00 0.16 H new ATOM 0 HG13 VAL B 192 -7.042 -2.876 0.941 1.00 0.16 H new ATOM 0 HG21 VAL B 192 -9.475 -1.007 0.774 1.00 0.22 H new ATOM 0 HG22 VAL B 192 -8.697 -1.732 -0.653 1.00 0.22 H new ATOM 0 HG23 VAL B 192 -10.440 -1.963 -0.377 1.00 0.22 H new ATOM 820 N ALA B 193 -10.147 -6.288 1.038 1.00 0.20 N ATOM 821 CA ALA B 193 -10.194 -7.483 1.858 1.00 0.21 C ATOM 822 C ALA B 193 -9.841 -8.726 1.055 1.00 0.21 C ATOM 823 O ALA B 193 -10.002 -9.850 1.535 1.00 0.23 O ATOM 824 CB ALA B 193 -11.574 -7.632 2.479 1.00 0.23 C ATOM 0 H ALA B 193 -11.045 -6.021 0.635 1.00 0.20 H new ATOM 0 HA ALA B 193 -9.451 -7.378 2.649 1.00 0.21 H new ATOM 0 HB1 ALA B 193 -11.601 -8.532 3.093 1.00 0.23 H new ATOM 0 HB2 ALA B 193 -11.790 -6.762 3.100 1.00 0.23 H new ATOM 0 HB3 ALA B 193 -12.322 -7.709 1.690 1.00 0.23 H new ATOM 830 N THR B 194 -9.339 -8.536 -0.158 1.00 0.21 N ATOM 831 CA THR B 194 -9.063 -9.660 -1.028 1.00 0.22 C ATOM 832 C THR B 194 -7.564 -9.889 -1.120 1.00 0.21 C ATOM 833 O THR B 194 -6.772 -8.945 -1.111 1.00 0.19 O ATOM 834 CB THR B 194 -9.628 -9.454 -2.451 1.00 0.24 C ATOM 835 OG1 THR B 194 -8.930 -8.401 -3.129 1.00 0.23 O ATOM 836 CG2 THR B 194 -11.110 -9.120 -2.402 1.00 0.25 C ATOM 0 H THR B 194 -9.118 -7.622 -0.554 1.00 0.21 H new ATOM 0 HA THR B 194 -9.556 -10.529 -0.592 1.00 0.22 H new ATOM 0 HB THR B 194 -9.489 -10.387 -2.997 1.00 0.24 H new ATOM 0 HG1 THR B 194 -9.350 -7.541 -2.917 1.00 0.23 H new ATOM 0 HG21 THR B 194 -11.485 -8.979 -3.416 1.00 0.25 H new ATOM 0 HG22 THR B 194 -11.651 -9.937 -1.925 1.00 0.25 H new ATOM 0 HG23 THR B 194 -11.258 -8.204 -1.830 1.00 0.25 H new ATOM 844 N GLU B 195 -7.192 -11.151 -1.206 1.00 0.25 N ATOM 845 CA GLU B 195 -5.801 -11.534 -1.360 1.00 0.26 C ATOM 846 C GLU B 195 -5.292 -11.052 -2.707 1.00 0.20 C ATOM 847 O GLU B 195 -4.117 -10.739 -2.867 1.00 0.19 O ATOM 848 CB GLU B 195 -5.638 -13.044 -1.226 1.00 0.36 C ATOM 849 CG GLU B 195 -6.083 -13.576 0.127 1.00 0.83 C ATOM 850 CD GLU B 195 -5.395 -12.881 1.287 1.00 1.69 C ATOM 851 OE1 GLU B 195 -4.218 -13.205 1.572 1.00 2.24 O ATOM 852 OE2 GLU B 195 -6.024 -12.009 1.922 1.00 2.46 O ATOM 0 H GLU B 195 -7.841 -11.937 -1.171 1.00 0.25 H new ATOM 0 HA GLU B 195 -5.212 -11.068 -0.570 1.00 0.26 H new ATOM 0 HB2 GLU B 195 -6.213 -13.536 -2.010 1.00 0.36 H new ATOM 0 HB3 GLU B 195 -4.592 -13.306 -1.386 1.00 0.36 H new ATOM 0 HG2 GLU B 195 -7.162 -13.453 0.224 1.00 0.83 H new ATOM 0 HG3 GLU B 195 -5.878 -14.645 0.177 1.00 0.83 H new ATOM 859 N ALA B 196 -6.203 -11.011 -3.672 1.00 0.21 N ATOM 860 CA ALA B 196 -5.911 -10.490 -4.999 1.00 0.22 C ATOM 861 C ALA B 196 -5.467 -9.032 -4.938 1.00 0.17 C ATOM 862 O ALA B 196 -4.538 -8.630 -5.637 1.00 0.17 O ATOM 863 CB ALA B 196 -7.129 -10.629 -5.892 1.00 0.27 C ATOM 0 H ALA B 196 -7.162 -11.338 -3.556 1.00 0.21 H new ATOM 0 HA ALA B 196 -5.090 -11.073 -5.417 1.00 0.22 H new ATOM 0 HB1 ALA B 196 -6.900 -10.236 -6.883 1.00 0.27 H new ATOM 0 HB2 ALA B 196 -7.403 -11.681 -5.973 1.00 0.27 H new ATOM 0 HB3 ALA B 196 -7.960 -10.070 -5.463 1.00 0.27 H new ATOM 869 N PHE B 197 -6.124 -8.242 -4.089 1.00 0.14 N ATOM 870 CA PHE B 197 -5.766 -6.839 -3.930 1.00 0.12 C ATOM 871 C PHE B 197 -4.342 -6.723 -3.423 1.00 0.11 C ATOM 872 O PHE B 197 -3.546 -5.966 -3.961 1.00 0.12 O ATOM 873 CB PHE B 197 -6.718 -6.130 -2.959 1.00 0.10 C ATOM 874 CG PHE B 197 -6.204 -4.802 -2.469 1.00 0.10 C ATOM 875 CD1 PHE B 197 -6.278 -3.675 -3.267 1.00 0.17 C ATOM 876 CD2 PHE B 197 -5.633 -4.687 -1.211 1.00 0.14 C ATOM 877 CE1 PHE B 197 -5.792 -2.461 -2.822 1.00 0.22 C ATOM 878 CE2 PHE B 197 -5.148 -3.475 -0.762 1.00 0.15 C ATOM 879 CZ PHE B 197 -5.227 -2.360 -1.568 1.00 0.17 C ATOM 0 H PHE B 197 -6.902 -8.550 -3.506 1.00 0.14 H new ATOM 0 HA PHE B 197 -5.849 -6.357 -4.904 1.00 0.12 H new ATOM 0 HB2 PHE B 197 -7.679 -5.979 -3.451 1.00 0.10 H new ATOM 0 HB3 PHE B 197 -6.898 -6.779 -2.102 1.00 0.10 H new ATOM 0 HD1 PHE B 197 -6.721 -3.745 -4.250 1.00 0.17 H new ATOM 0 HD2 PHE B 197 -5.567 -5.557 -0.574 1.00 0.14 H new ATOM 0 HE1 PHE B 197 -5.855 -1.590 -3.457 1.00 0.22 H new ATOM 0 HE2 PHE B 197 -4.707 -3.401 0.221 1.00 0.15 H new ATOM 0 HZ PHE B 197 -4.848 -1.411 -1.219 1.00 0.17 H new ATOM 889 N TRP B 198 -4.040 -7.484 -2.389 1.00 0.10 N ATOM 890 CA TRP B 198 -2.728 -7.447 -1.765 1.00 0.11 C ATOM 891 C TRP B 198 -1.653 -8.021 -2.679 1.00 0.12 C ATOM 892 O TRP B 198 -0.491 -7.627 -2.600 1.00 0.13 O ATOM 893 CB TRP B 198 -2.766 -8.154 -0.413 1.00 0.11 C ATOM 894 CG TRP B 198 -3.642 -7.426 0.554 1.00 0.11 C ATOM 895 CD1 TRP B 198 -4.883 -7.796 0.986 1.00 0.12 C ATOM 896 CD2 TRP B 198 -3.358 -6.169 1.178 1.00 0.12 C ATOM 897 NE1 TRP B 198 -5.385 -6.846 1.840 1.00 0.13 N ATOM 898 CE2 TRP B 198 -4.468 -5.841 1.976 1.00 0.13 C ATOM 899 CE3 TRP B 198 -2.271 -5.292 1.138 1.00 0.13 C ATOM 900 CZ2 TRP B 198 -4.522 -4.671 2.729 1.00 0.15 C ATOM 901 CZ3 TRP B 198 -2.326 -4.132 1.885 1.00 0.16 C ATOM 902 CH2 TRP B 198 -3.445 -3.831 2.672 1.00 0.16 C ATOM 0 H TRP B 198 -4.691 -8.141 -1.959 1.00 0.10 H new ATOM 0 HA TRP B 198 -2.461 -6.405 -1.592 1.00 0.11 H new ATOM 0 HB2 TRP B 198 -3.131 -9.173 -0.543 1.00 0.11 H new ATOM 0 HB3 TRP B 198 -1.756 -8.227 -0.009 1.00 0.11 H new ATOM 0 HD1 TRP B 198 -5.394 -8.703 0.698 1.00 0.12 H new ATOM 0 HE1 TRP B 198 -6.295 -6.884 2.299 1.00 0.13 H new ATOM 0 HE3 TRP B 198 -1.404 -5.517 0.534 1.00 0.13 H new ATOM 0 HZ2 TRP B 198 -5.384 -4.436 3.336 1.00 0.15 H new ATOM 0 HZ3 TRP B 198 -1.493 -3.446 1.862 1.00 0.16 H new ATOM 0 HH2 TRP B 198 -3.457 -2.916 3.246 1.00 0.16 H new ATOM 913 N ASP B 199 -2.039 -8.945 -3.547 1.00 0.13 N ATOM 914 CA ASP B 199 -1.121 -9.480 -4.545 1.00 0.16 C ATOM 915 C ASP B 199 -0.736 -8.398 -5.546 1.00 0.14 C ATOM 916 O ASP B 199 0.445 -8.190 -5.824 1.00 0.14 O ATOM 917 CB ASP B 199 -1.741 -10.673 -5.275 1.00 0.22 C ATOM 918 CG ASP B 199 -0.875 -11.156 -6.421 1.00 0.31 C ATOM 919 OD1 ASP B 199 0.152 -11.824 -6.162 1.00 1.25 O ATOM 920 OD2 ASP B 199 -1.212 -10.867 -7.591 1.00 0.99 O ATOM 0 H ASP B 199 -2.979 -9.340 -3.581 1.00 0.13 H new ATOM 0 HA ASP B 199 -0.223 -9.821 -4.029 1.00 0.16 H new ATOM 0 HB2 ASP B 199 -1.894 -11.489 -4.569 1.00 0.22 H new ATOM 0 HB3 ASP B 199 -2.723 -10.393 -5.657 1.00 0.22 H new ATOM 925 N ASP B 200 -1.737 -7.698 -6.071 1.00 0.16 N ATOM 926 CA ASP B 200 -1.499 -6.611 -7.017 1.00 0.18 C ATOM 927 C ASP B 200 -0.774 -5.453 -6.338 1.00 0.14 C ATOM 928 O ASP B 200 0.089 -4.807 -6.936 1.00 0.16 O ATOM 929 CB ASP B 200 -2.814 -6.112 -7.623 1.00 0.24 C ATOM 930 CG ASP B 200 -3.384 -7.046 -8.672 1.00 0.55 C ATOM 931 OD1 ASP B 200 -2.871 -7.044 -9.811 1.00 1.37 O ATOM 932 OD2 ASP B 200 -4.363 -7.764 -8.374 1.00 1.12 O ATOM 0 H ASP B 200 -2.721 -7.863 -5.858 1.00 0.16 H new ATOM 0 HA ASP B 200 -0.871 -7.002 -7.818 1.00 0.18 H new ATOM 0 HB2 ASP B 200 -3.546 -5.981 -6.826 1.00 0.24 H new ATOM 0 HB3 ASP B 200 -2.651 -5.131 -8.070 1.00 0.24 H new ATOM 937 N LEU B 201 -1.145 -5.199 -5.089 1.00 0.12 N ATOM 938 CA LEU B 201 -0.518 -4.169 -4.267 1.00 0.11 C ATOM 939 C LEU B 201 0.971 -4.464 -4.123 1.00 0.11 C ATOM 940 O LEU B 201 1.811 -3.586 -4.320 1.00 0.13 O ATOM 941 CB LEU B 201 -1.220 -4.139 -2.891 1.00 0.10 C ATOM 942 CG LEU B 201 -0.940 -2.937 -1.973 1.00 0.10 C ATOM 943 CD1 LEU B 201 0.436 -3.032 -1.334 1.00 0.17 C ATOM 944 CD2 LEU B 201 -1.088 -1.631 -2.736 1.00 0.13 C ATOM 0 H LEU B 201 -1.893 -5.704 -4.614 1.00 0.12 H new ATOM 0 HA LEU B 201 -0.621 -3.190 -4.736 1.00 0.11 H new ATOM 0 HB2 LEU B 201 -2.295 -4.188 -3.062 1.00 0.10 H new ATOM 0 HB3 LEU B 201 -0.942 -5.045 -2.352 1.00 0.10 H new ATOM 0 HG LEU B 201 -1.679 -2.955 -1.172 1.00 0.10 H new ATOM 0 HD11 LEU B 201 0.600 -2.166 -0.692 1.00 0.17 H new ATOM 0 HD12 LEU B 201 0.498 -3.943 -0.738 1.00 0.17 H new ATOM 0 HD13 LEU B 201 1.198 -3.055 -2.113 1.00 0.17 H new ATOM 0 HD21 LEU B 201 -0.886 -0.794 -2.068 1.00 0.13 H new ATOM 0 HD22 LEU B 201 -0.381 -1.612 -3.565 1.00 0.13 H new ATOM 0 HD23 LEU B 201 -2.104 -1.549 -3.123 1.00 0.13 H new ATOM 956 N GLN B 202 1.290 -5.713 -3.812 1.00 0.11 N ATOM 957 CA GLN B 202 2.673 -6.141 -3.705 1.00 0.12 C ATOM 958 C GLN B 202 3.371 -6.026 -5.052 1.00 0.12 C ATOM 959 O GLN B 202 4.540 -5.669 -5.119 1.00 0.13 O ATOM 960 CB GLN B 202 2.758 -7.574 -3.191 1.00 0.15 C ATOM 961 CG GLN B 202 4.177 -8.109 -3.139 1.00 0.21 C ATOM 962 CD GLN B 202 4.250 -9.519 -2.600 1.00 0.25 C ATOM 963 OE1 GLN B 202 3.312 -10.303 -2.742 1.00 0.71 O ATOM 964 NE2 GLN B 202 5.369 -9.853 -1.987 1.00 0.40 N ATOM 0 H GLN B 202 0.606 -6.447 -3.629 1.00 0.11 H new ATOM 0 HA GLN B 202 3.176 -5.488 -2.992 1.00 0.12 H new ATOM 0 HB2 GLN B 202 2.322 -7.621 -2.193 1.00 0.15 H new ATOM 0 HB3 GLN B 202 2.157 -8.219 -3.832 1.00 0.15 H new ATOM 0 HG2 GLN B 202 4.607 -8.085 -4.140 1.00 0.21 H new ATOM 0 HG3 GLN B 202 4.785 -7.454 -2.515 1.00 0.21 H new ATOM 0 HE21 GLN B 202 6.121 -9.171 -1.892 1.00 0.40 H new ATOM 0 HE22 GLN B 202 5.482 -10.793 -1.608 1.00 0.40 H new ATOM 973 N GLY B 203 2.642 -6.325 -6.119 1.00 0.14 N ATOM 974 CA GLY B 203 3.185 -6.194 -7.459 1.00 0.16 C ATOM 975 C GLY B 203 3.604 -4.770 -7.765 1.00 0.15 C ATOM 976 O GLY B 203 4.672 -4.536 -8.336 1.00 0.15 O ATOM 0 H GLY B 203 1.679 -6.658 -6.081 1.00 0.14 H new ATOM 0 HA2 GLY B 203 4.044 -6.856 -7.568 1.00 0.16 H new ATOM 0 HA3 GLY B 203 2.439 -6.517 -8.186 1.00 0.16 H new ATOM 980 N PHE B 204 2.780 -3.815 -7.350 1.00 0.15 N ATOM 981 CA PHE B 204 3.093 -2.408 -7.542 1.00 0.17 C ATOM 982 C PHE B 204 4.303 -2.036 -6.704 1.00 0.17 C ATOM 983 O PHE B 204 5.171 -1.277 -7.139 1.00 0.18 O ATOM 984 CB PHE B 204 1.903 -1.523 -7.157 1.00 0.20 C ATOM 985 CG PHE B 204 2.262 -0.064 -7.096 1.00 0.22 C ATOM 986 CD1 PHE B 204 2.438 0.669 -8.258 1.00 1.19 C ATOM 987 CD2 PHE B 204 2.455 0.563 -5.876 1.00 1.24 C ATOM 988 CE1 PHE B 204 2.794 2.003 -8.201 1.00 1.20 C ATOM 989 CE2 PHE B 204 2.815 1.893 -5.815 1.00 1.26 C ATOM 990 CZ PHE B 204 2.983 2.614 -6.978 1.00 0.32 C ATOM 0 H PHE B 204 1.892 -3.991 -6.880 1.00 0.15 H new ATOM 0 HA PHE B 204 3.313 -2.245 -8.597 1.00 0.17 H new ATOM 0 HB2 PHE B 204 1.100 -1.666 -7.880 1.00 0.20 H new ATOM 0 HB3 PHE B 204 1.519 -1.839 -6.187 1.00 0.20 H new ATOM 0 HD1 PHE B 204 2.296 0.194 -9.217 1.00 1.19 H new ATOM 0 HD2 PHE B 204 2.322 0.004 -4.962 1.00 1.24 H new ATOM 0 HE1 PHE B 204 2.924 2.567 -9.113 1.00 1.20 H new ATOM 0 HE2 PHE B 204 2.965 2.369 -4.857 1.00 1.26 H new ATOM 0 HZ PHE B 204 3.262 3.656 -6.932 1.00 0.32 H new ATOM 1000 N LEU B 205 4.358 -2.587 -5.502 1.00 0.16 N ATOM 1001 CA LEU B 205 5.470 -2.344 -4.600 1.00 0.17 C ATOM 1002 C LEU B 205 6.758 -2.915 -5.178 1.00 0.18 C ATOM 1003 O LEU B 205 7.825 -2.348 -4.995 1.00 0.20 O ATOM 1004 CB LEU B 205 5.182 -2.945 -3.222 1.00 0.17 C ATOM 1005 CG LEU B 205 4.565 -1.989 -2.193 1.00 0.17 C ATOM 1006 CD1 LEU B 205 3.418 -1.193 -2.793 1.00 0.18 C ATOM 1007 CD2 LEU B 205 4.084 -2.767 -0.982 1.00 0.15 C ATOM 0 H LEU B 205 3.641 -3.209 -5.128 1.00 0.16 H new ATOM 0 HA LEU B 205 5.594 -1.267 -4.484 1.00 0.17 H new ATOM 0 HB2 LEU B 205 4.510 -3.794 -3.350 1.00 0.17 H new ATOM 0 HB3 LEU B 205 6.115 -3.335 -2.814 1.00 0.17 H new ATOM 0 HG LEU B 205 5.337 -1.284 -1.885 1.00 0.17 H new ATOM 0 HD11 LEU B 205 3.004 -0.526 -2.037 1.00 0.18 H new ATOM 0 HD12 LEU B 205 3.784 -0.605 -3.635 1.00 0.18 H new ATOM 0 HD13 LEU B 205 2.642 -1.876 -3.138 1.00 0.18 H new ATOM 0 HD21 LEU B 205 3.648 -2.079 -0.258 1.00 0.15 H new ATOM 0 HD22 LEU B 205 3.332 -3.493 -1.291 1.00 0.15 H new ATOM 0 HD23 LEU B 205 4.926 -3.288 -0.526 1.00 0.15 H new ATOM 1019 N GLU B 206 6.656 -4.027 -5.889 1.00 0.17 N ATOM 1020 CA GLU B 206 7.809 -4.612 -6.555 1.00 0.20 C ATOM 1021 C GLU B 206 8.305 -3.696 -7.665 1.00 0.22 C ATOM 1022 O GLU B 206 9.508 -3.493 -7.822 1.00 0.25 O ATOM 1023 CB GLU B 206 7.468 -5.985 -7.135 1.00 0.21 C ATOM 1024 CG GLU B 206 7.182 -7.046 -6.086 1.00 0.24 C ATOM 1025 CD GLU B 206 6.979 -8.417 -6.696 1.00 0.30 C ATOM 1026 OE1 GLU B 206 7.979 -9.146 -6.863 1.00 1.12 O ATOM 1027 OE2 GLU B 206 5.826 -8.770 -7.026 1.00 1.14 O ATOM 0 H GLU B 206 5.786 -4.543 -6.020 1.00 0.17 H new ATOM 0 HA GLU B 206 8.597 -4.733 -5.812 1.00 0.20 H new ATOM 0 HB2 GLU B 206 6.598 -5.888 -7.785 1.00 0.21 H new ATOM 0 HB3 GLU B 206 8.296 -6.320 -7.759 1.00 0.21 H new ATOM 0 HG2 GLU B 206 8.009 -7.085 -5.377 1.00 0.24 H new ATOM 0 HG3 GLU B 206 6.292 -6.766 -5.522 1.00 0.24 H new ATOM 1034 N GLN B 207 7.374 -3.152 -8.439 1.00 0.22 N ATOM 1035 CA GLN B 207 7.715 -2.242 -9.531 1.00 0.26 C ATOM 1036 C GLN B 207 8.382 -0.968 -9.020 1.00 0.27 C ATOM 1037 O GLN B 207 9.421 -0.548 -9.529 1.00 0.28 O ATOM 1038 CB GLN B 207 6.460 -1.864 -10.317 1.00 0.35 C ATOM 1039 CG GLN B 207 5.711 -3.053 -10.882 1.00 0.41 C ATOM 1040 CD GLN B 207 4.512 -2.637 -11.706 1.00 0.54 C ATOM 1041 OE1 GLN B 207 3.403 -2.493 -11.188 1.00 0.79 O ATOM 1042 NE2 GLN B 207 4.722 -2.445 -12.997 1.00 1.13 N ATOM 0 H GLN B 207 6.374 -3.324 -8.332 1.00 0.22 H new ATOM 0 HA GLN B 207 8.419 -2.766 -10.178 1.00 0.26 H new ATOM 0 HB2 GLN B 207 5.791 -1.301 -9.666 1.00 0.35 H new ATOM 0 HB3 GLN B 207 6.741 -1.201 -11.135 1.00 0.35 H new ATOM 0 HG2 GLN B 207 6.386 -3.645 -11.500 1.00 0.41 H new ATOM 0 HG3 GLN B 207 5.382 -3.695 -10.064 1.00 0.41 H new ATOM 0 HE21 GLN B 207 5.656 -2.575 -13.387 1.00 1.13 H new ATOM 0 HE22 GLN B 207 3.950 -2.167 -13.603 1.00 1.13 H new ATOM 1051 N ARG B 208 7.772 -0.357 -8.018 1.00 0.29 N ATOM 1052 CA ARG B 208 8.215 0.939 -7.523 1.00 0.35 C ATOM 1053 C ARG B 208 9.455 0.805 -6.633 1.00 0.36 C ATOM 1054 O ARG B 208 10.395 1.593 -6.740 1.00 0.42 O ATOM 1055 CB ARG B 208 7.067 1.595 -6.749 1.00 0.40 C ATOM 1056 CG ARG B 208 7.156 3.111 -6.641 1.00 0.71 C ATOM 1057 CD ARG B 208 7.219 3.771 -8.010 1.00 0.48 C ATOM 1058 NE ARG B 208 6.700 5.141 -7.983 1.00 1.26 N ATOM 1059 CZ ARG B 208 7.456 6.239 -8.013 1.00 1.29 C ATOM 1060 NH1 ARG B 208 8.782 6.150 -8.017 1.00 1.59 N ATOM 1061 NH2 ARG B 208 6.878 7.433 -8.039 1.00 1.98 N ATOM 0 H ARG B 208 6.963 -0.739 -7.528 1.00 0.29 H new ATOM 0 HA ARG B 208 8.493 1.564 -8.372 1.00 0.35 H new ATOM 0 HB2 ARG B 208 6.125 1.334 -7.232 1.00 0.40 H new ATOM 0 HB3 ARG B 208 7.037 1.174 -5.744 1.00 0.40 H new ATOM 0 HG2 ARG B 208 6.291 3.488 -6.095 1.00 0.71 H new ATOM 0 HG3 ARG B 208 8.040 3.383 -6.065 1.00 0.71 H new ATOM 0 HD2 ARG B 208 8.251 3.781 -8.360 1.00 0.48 H new ATOM 0 HD3 ARG B 208 6.646 3.180 -8.724 1.00 0.48 H new ATOM 0 HE ARG B 208 5.688 5.264 -7.938 1.00 1.26 H new ATOM 0 HH11 ARG B 208 9.232 5.235 -7.997 1.00 1.59 H new ATOM 0 HH12 ARG B 208 9.350 6.997 -8.040 1.00 1.59 H new ATOM 0 HH21 ARG B 208 5.861 7.507 -8.036 1.00 1.98 H new ATOM 0 HH22 ARG B 208 7.451 8.277 -8.062 1.00 1.98 H new ATOM 1075 N LEU B 209 9.441 -0.188 -5.754 1.00 0.33 N ATOM 1076 CA LEU B 209 10.523 -0.380 -4.785 1.00 0.36 C ATOM 1077 C LEU B 209 11.687 -1.159 -5.372 1.00 0.39 C ATOM 1078 O LEU B 209 12.819 -1.044 -4.901 1.00 0.45 O ATOM 1079 CB LEU B 209 10.012 -1.111 -3.539 1.00 0.33 C ATOM 1080 CG LEU B 209 9.250 -0.268 -2.508 1.00 0.33 C ATOM 1081 CD1 LEU B 209 8.334 0.741 -3.173 1.00 0.34 C ATOM 1082 CD2 LEU B 209 8.443 -1.174 -1.598 1.00 0.38 C ATOM 0 H LEU B 209 8.692 -0.877 -5.688 1.00 0.33 H new ATOM 0 HA LEU B 209 10.877 0.615 -4.513 1.00 0.36 H new ATOM 0 HB2 LEU B 209 9.360 -1.922 -3.864 1.00 0.33 H new ATOM 0 HB3 LEU B 209 10.866 -1.569 -3.040 1.00 0.33 H new ATOM 0 HG LEU B 209 9.984 0.285 -1.922 1.00 0.33 H new ATOM 0 HD11 LEU B 209 7.813 1.318 -2.409 1.00 0.34 H new ATOM 0 HD12 LEU B 209 8.924 1.413 -3.796 1.00 0.34 H new ATOM 0 HD13 LEU B 209 7.606 0.218 -3.793 1.00 0.34 H new ATOM 0 HD21 LEU B 209 7.904 -0.570 -0.868 1.00 0.38 H new ATOM 0 HD22 LEU B 209 7.731 -1.746 -2.193 1.00 0.38 H new ATOM 0 HD23 LEU B 209 9.114 -1.858 -1.078 1.00 0.38 H new ATOM 1094 N LYS B 210 11.392 -1.938 -6.410 1.00 0.36 N ATOM 1095 CA LYS B 210 12.373 -2.808 -7.051 1.00 0.40 C ATOM 1096 C LYS B 210 12.978 -3.785 -6.050 1.00 0.38 C ATOM 1097 O LYS B 210 14.156 -4.136 -6.140 1.00 0.42 O ATOM 1098 CB LYS B 210 13.467 -1.983 -7.735 1.00 0.49 C ATOM 1099 CG LYS B 210 12.980 -1.229 -8.963 1.00 0.90 C ATOM 1100 CD LYS B 210 12.507 -2.186 -10.048 1.00 1.06 C ATOM 1101 CE LYS B 210 12.011 -1.444 -11.278 1.00 1.62 C ATOM 1102 NZ LYS B 210 13.085 -0.635 -11.917 1.00 2.19 N ATOM 0 H LYS B 210 10.464 -1.983 -6.831 1.00 0.36 H new ATOM 0 HA LYS B 210 11.856 -3.389 -7.815 1.00 0.40 H new ATOM 0 HB2 LYS B 210 13.875 -1.270 -7.019 1.00 0.49 H new ATOM 0 HB3 LYS B 210 14.283 -2.645 -8.025 1.00 0.49 H new ATOM 0 HG2 LYS B 210 12.165 -0.562 -8.683 1.00 0.90 H new ATOM 0 HG3 LYS B 210 13.784 -0.604 -9.351 1.00 0.90 H new ATOM 0 HD2 LYS B 210 13.325 -2.850 -10.329 1.00 1.06 H new ATOM 0 HD3 LYS B 210 11.707 -2.814 -9.655 1.00 1.06 H new ATOM 0 HE2 LYS B 210 11.620 -2.161 -12.000 1.00 1.62 H new ATOM 0 HE3 LYS B 210 11.184 -0.791 -10.998 1.00 1.62 H new ATOM 0 HZ1 LYS B 210 12.760 -0.298 -12.846 1.00 2.19 H new ATOM 0 HZ2 LYS B 210 13.311 0.181 -11.313 1.00 2.19 H new ATOM 0 HZ3 LYS B 210 13.935 -1.221 -12.040 1.00 2.19 H new ATOM 1116 N ASP B 211 12.154 -4.244 -5.112 1.00 0.34 N ATOM 1117 CA ASP B 211 12.608 -5.149 -4.066 1.00 0.34 C ATOM 1118 C ASP B 211 11.434 -5.949 -3.515 1.00 0.31 C ATOM 1119 O ASP B 211 10.488 -5.387 -2.961 1.00 0.31 O ATOM 1120 CB ASP B 211 13.285 -4.368 -2.937 1.00 0.37 C ATOM 1121 CG ASP B 211 13.864 -5.277 -1.873 1.00 0.39 C ATOM 1122 OD1 ASP B 211 14.923 -5.893 -2.121 1.00 1.11 O ATOM 1123 OD2 ASP B 211 13.262 -5.393 -0.792 1.00 1.06 O ATOM 0 H ASP B 211 11.165 -4.001 -5.057 1.00 0.34 H new ATOM 0 HA ASP B 211 13.334 -5.838 -4.498 1.00 0.34 H new ATOM 0 HB2 ASP B 211 14.079 -3.748 -3.353 1.00 0.37 H new ATOM 0 HB3 ASP B 211 12.561 -3.694 -2.480 1.00 0.37 H new ATOM 1128 N TYR B 212 11.501 -7.262 -3.685 1.00 0.30 N ATOM 1129 CA TYR B 212 10.428 -8.157 -3.265 1.00 0.29 C ATOM 1130 C TYR B 212 10.305 -8.202 -1.748 1.00 0.30 C ATOM 1131 O TYR B 212 9.199 -8.281 -1.214 1.00 0.29 O ATOM 1132 CB TYR B 212 10.661 -9.570 -3.811 1.00 0.32 C ATOM 1133 CG TYR B 212 9.676 -10.591 -3.282 1.00 0.37 C ATOM 1134 CD1 TYR B 212 8.448 -10.788 -3.899 1.00 1.12 C ATOM 1135 CD2 TYR B 212 9.972 -11.347 -2.155 1.00 1.35 C ATOM 1136 CE1 TYR B 212 7.544 -11.711 -3.408 1.00 1.15 C ATOM 1137 CE2 TYR B 212 9.073 -12.268 -1.657 1.00 1.41 C ATOM 1138 CZ TYR B 212 7.862 -12.447 -2.286 1.00 0.60 C ATOM 1139 OH TYR B 212 6.959 -13.359 -1.788 1.00 0.74 O ATOM 0 H TYR B 212 12.295 -7.736 -4.115 1.00 0.30 H new ATOM 0 HA TYR B 212 9.495 -7.766 -3.672 1.00 0.29 H new ATOM 0 HB2 TYR B 212 10.598 -9.546 -4.899 1.00 0.32 H new ATOM 0 HB3 TYR B 212 11.673 -9.887 -3.557 1.00 0.32 H new ATOM 0 HD1 TYR B 212 8.195 -10.211 -4.776 1.00 1.12 H new ATOM 0 HD2 TYR B 212 10.922 -11.212 -1.660 1.00 1.35 H new ATOM 0 HE1 TYR B 212 6.594 -11.855 -3.900 1.00 1.15 H new ATOM 0 HE2 TYR B 212 9.319 -12.845 -0.778 1.00 1.41 H new ATOM 0 HH TYR B 212 6.611 -13.039 -0.929 1.00 0.74 H new ATOM 1149 N ASP B 213 11.438 -8.159 -1.062 1.00 0.34 N ATOM 1150 CA ASP B 213 11.455 -8.259 0.396 1.00 0.38 C ATOM 1151 C ASP B 213 10.706 -7.096 1.026 1.00 0.33 C ATOM 1152 O ASP B 213 9.822 -7.296 1.860 1.00 0.30 O ATOM 1153 CB ASP B 213 12.891 -8.298 0.924 1.00 0.49 C ATOM 1154 CG ASP B 213 13.591 -9.606 0.629 1.00 1.14 C ATOM 1155 OD1 ASP B 213 13.479 -10.545 1.445 1.00 1.62 O ATOM 1156 OD2 ASP B 213 14.267 -9.703 -0.414 1.00 2.00 O ATOM 0 H ASP B 213 12.359 -8.056 -1.488 1.00 0.34 H new ATOM 0 HA ASP B 213 10.956 -9.189 0.670 1.00 0.38 H new ATOM 0 HB2 ASP B 213 13.458 -7.480 0.480 1.00 0.49 H new ATOM 0 HB3 ASP B 213 12.881 -8.132 2.001 1.00 0.49 H new ATOM 1161 N GLU B 214 11.043 -5.886 0.600 1.00 0.34 N ATOM 1162 CA GLU B 214 10.393 -4.685 1.099 1.00 0.34 C ATOM 1163 C GLU B 214 8.919 -4.699 0.725 1.00 0.26 C ATOM 1164 O GLU B 214 8.062 -4.300 1.512 1.00 0.25 O ATOM 1165 CB GLU B 214 11.059 -3.441 0.508 1.00 0.44 C ATOM 1166 CG GLU B 214 10.582 -2.138 1.126 1.00 0.56 C ATOM 1167 CD GLU B 214 11.213 -1.862 2.473 1.00 0.75 C ATOM 1168 OE1 GLU B 214 10.881 -2.557 3.452 1.00 1.25 O ATOM 1169 OE2 GLU B 214 12.046 -0.934 2.557 1.00 1.48 O ATOM 0 H GLU B 214 11.769 -5.711 -0.095 1.00 0.34 H new ATOM 0 HA GLU B 214 10.490 -4.660 2.184 1.00 0.34 H new ATOM 0 HB2 GLU B 214 12.138 -3.521 0.639 1.00 0.44 H new ATOM 0 HB3 GLU B 214 10.870 -3.414 -0.565 1.00 0.44 H new ATOM 0 HG2 GLU B 214 10.809 -1.315 0.448 1.00 0.56 H new ATOM 0 HG3 GLU B 214 9.498 -2.169 1.237 1.00 0.56 H new ATOM 1176 N ALA B 215 8.629 -5.200 -0.469 1.00 0.21 N ATOM 1177 CA ALA B 215 7.271 -5.213 -0.984 1.00 0.17 C ATOM 1178 C ALA B 215 6.390 -6.141 -0.154 1.00 0.16 C ATOM 1179 O ALA B 215 5.244 -5.823 0.156 1.00 0.15 O ATOM 1180 CB ALA B 215 7.265 -5.647 -2.444 1.00 0.16 C ATOM 0 H ALA B 215 9.322 -5.604 -1.100 1.00 0.21 H new ATOM 0 HA ALA B 215 6.867 -4.203 -0.916 1.00 0.17 H new ATOM 0 HB1 ALA B 215 6.241 -5.652 -2.818 1.00 0.16 H new ATOM 0 HB2 ALA B 215 7.863 -4.951 -3.033 1.00 0.16 H new ATOM 0 HB3 ALA B 215 7.687 -6.648 -2.528 1.00 0.16 H new ATOM 1186 N ASN B 216 6.943 -7.290 0.202 1.00 0.17 N ATOM 1187 CA ASN B 216 6.225 -8.285 0.984 1.00 0.19 C ATOM 1188 C ASN B 216 6.038 -7.795 2.413 1.00 0.18 C ATOM 1189 O ASN B 216 4.958 -7.938 2.992 1.00 0.19 O ATOM 1190 CB ASN B 216 6.988 -9.613 0.968 1.00 0.22 C ATOM 1191 CG ASN B 216 6.089 -10.827 1.148 1.00 0.33 C ATOM 1192 OD1 ASN B 216 6.361 -11.892 0.595 1.00 0.63 O ATOM 1193 ND2 ASN B 216 5.017 -10.686 1.913 1.00 0.35 N ATOM 0 H ASN B 216 7.897 -7.558 -0.041 1.00 0.17 H new ATOM 0 HA ASN B 216 5.241 -8.442 0.541 1.00 0.19 H new ATOM 0 HB2 ASN B 216 7.525 -9.704 0.024 1.00 0.22 H new ATOM 0 HB3 ASN B 216 7.736 -9.603 1.760 1.00 0.22 H new ATOM 0 HD21 ASN B 216 4.387 -11.475 2.059 1.00 0.35 H new ATOM 0 HD22 ASN B 216 4.821 -9.789 2.357 1.00 0.35 H new ATOM 1200 N LYS B 217 7.090 -7.199 2.966 1.00 0.19 N ATOM 1201 CA LYS B 217 7.043 -6.648 4.316 1.00 0.19 C ATOM 1202 C LYS B 217 5.972 -5.579 4.421 1.00 0.17 C ATOM 1203 O LYS B 217 5.211 -5.539 5.385 1.00 0.18 O ATOM 1204 CB LYS B 217 8.390 -6.041 4.696 1.00 0.22 C ATOM 1205 CG LYS B 217 9.469 -7.066 5.001 1.00 0.26 C ATOM 1206 CD LYS B 217 10.817 -6.403 5.247 1.00 0.37 C ATOM 1207 CE LYS B 217 10.742 -5.352 6.346 1.00 1.15 C ATOM 1208 NZ LYS B 217 10.256 -5.916 7.635 1.00 1.97 N ATOM 0 H LYS B 217 7.989 -7.085 2.498 1.00 0.19 H new ATOM 0 HA LYS B 217 6.808 -7.464 4.999 1.00 0.19 H new ATOM 0 HB2 LYS B 217 8.731 -5.402 3.882 1.00 0.22 H new ATOM 0 HB3 LYS B 217 8.255 -5.401 5.568 1.00 0.22 H new ATOM 0 HG2 LYS B 217 9.183 -7.647 5.878 1.00 0.26 H new ATOM 0 HG3 LYS B 217 9.553 -7.765 4.169 1.00 0.26 H new ATOM 0 HD2 LYS B 217 11.550 -7.162 5.520 1.00 0.37 H new ATOM 0 HD3 LYS B 217 11.167 -5.939 4.325 1.00 0.37 H new ATOM 0 HE2 LYS B 217 11.729 -4.913 6.493 1.00 1.15 H new ATOM 0 HE3 LYS B 217 10.078 -4.547 6.031 1.00 1.15 H new ATOM 0 HZ1 LYS B 217 10.334 -5.195 8.381 1.00 1.97 H new ATOM 0 HZ2 LYS B 217 9.262 -6.205 7.535 1.00 1.97 H new ATOM 0 HZ3 LYS B 217 10.832 -6.743 7.891 1.00 1.97 H new ATOM 1222 N LEU B 218 5.907 -4.727 3.412 1.00 0.15 N ATOM 1223 CA LEU B 218 4.955 -3.637 3.415 1.00 0.15 C ATOM 1224 C LEU B 218 3.553 -4.164 3.174 1.00 0.13 C ATOM 1225 O LEU B 218 2.595 -3.647 3.719 1.00 0.13 O ATOM 1226 CB LEU B 218 5.320 -2.583 2.376 1.00 0.15 C ATOM 1227 CG LEU B 218 6.599 -1.798 2.668 1.00 0.17 C ATOM 1228 CD1 LEU B 218 6.816 -0.745 1.599 1.00 0.20 C ATOM 1229 CD2 LEU B 218 6.542 -1.161 4.050 1.00 0.19 C ATOM 0 H LEU B 218 6.501 -4.771 2.584 1.00 0.15 H new ATOM 0 HA LEU B 218 4.986 -3.161 4.395 1.00 0.15 H new ATOM 0 HB2 LEU B 218 5.426 -3.072 1.407 1.00 0.15 H new ATOM 0 HB3 LEU B 218 4.492 -1.879 2.289 1.00 0.15 H new ATOM 0 HG LEU B 218 7.442 -2.489 2.655 1.00 0.17 H new ATOM 0 HD11 LEU B 218 7.729 -0.190 1.815 1.00 0.20 H new ATOM 0 HD12 LEU B 218 6.906 -1.228 0.626 1.00 0.20 H new ATOM 0 HD13 LEU B 218 5.969 -0.059 1.587 1.00 0.20 H new ATOM 0 HD21 LEU B 218 7.463 -0.608 4.234 1.00 0.19 H new ATOM 0 HD22 LEU B 218 5.693 -0.479 4.102 1.00 0.19 H new ATOM 0 HD23 LEU B 218 6.429 -1.939 4.805 1.00 0.19 H new ATOM 1241 N ARG B 219 3.442 -5.201 2.354 1.00 0.13 N ATOM 1242 CA ARG B 219 2.154 -5.836 2.096 1.00 0.13 C ATOM 1243 C ARG B 219 1.537 -6.320 3.406 1.00 0.13 C ATOM 1244 O ARG B 219 0.353 -6.102 3.670 1.00 0.12 O ATOM 1245 CB ARG B 219 2.324 -7.020 1.142 1.00 0.13 C ATOM 1246 CG ARG B 219 1.015 -7.525 0.557 1.00 0.19 C ATOM 1247 CD ARG B 219 1.189 -8.884 -0.104 1.00 0.17 C ATOM 1248 NE ARG B 219 1.243 -9.968 0.877 1.00 0.54 N ATOM 1249 CZ ARG B 219 1.526 -11.239 0.582 1.00 0.79 C ATOM 1250 NH1 ARG B 219 1.842 -11.591 -0.659 1.00 0.61 N ATOM 1251 NH2 ARG B 219 1.500 -12.159 1.534 1.00 1.29 N ATOM 0 H ARG B 219 4.227 -5.621 1.856 1.00 0.13 H new ATOM 0 HA ARG B 219 1.493 -5.102 1.635 1.00 0.13 H new ATOM 0 HB2 ARG B 219 2.987 -6.727 0.328 1.00 0.13 H new ATOM 0 HB3 ARG B 219 2.813 -7.836 1.673 1.00 0.13 H new ATOM 0 HG2 ARG B 219 0.266 -7.596 1.346 1.00 0.19 H new ATOM 0 HG3 ARG B 219 0.641 -6.808 -0.174 1.00 0.19 H new ATOM 0 HD2 ARG B 219 0.363 -9.060 -0.794 1.00 0.17 H new ATOM 0 HD3 ARG B 219 2.104 -8.885 -0.696 1.00 0.17 H new ATOM 0 HE ARG B 219 1.052 -9.737 1.852 1.00 0.54 H new ATOM 0 HH11 ARG B 219 1.870 -10.888 -1.397 1.00 0.61 H new ATOM 0 HH12 ARG B 219 2.057 -12.565 -0.874 1.00 0.61 H new ATOM 0 HH21 ARG B 219 1.264 -11.896 2.491 1.00 1.29 H new ATOM 0 HH22 ARG B 219 1.716 -13.130 1.310 1.00 1.29 H new ATOM 1265 N VAL B 220 2.364 -6.942 4.238 1.00 0.13 N ATOM 1266 CA VAL B 220 1.906 -7.483 5.511 1.00 0.14 C ATOM 1267 C VAL B 220 1.602 -6.352 6.487 1.00 0.14 C ATOM 1268 O VAL B 220 0.535 -6.300 7.092 1.00 0.16 O ATOM 1269 CB VAL B 220 2.956 -8.423 6.136 1.00 0.16 C ATOM 1270 CG1 VAL B 220 2.466 -8.972 7.469 1.00 0.19 C ATOM 1271 CG2 VAL B 220 3.291 -9.555 5.181 1.00 0.16 C ATOM 0 H VAL B 220 3.357 -7.084 4.053 1.00 0.13 H new ATOM 0 HA VAL B 220 1.000 -8.056 5.315 1.00 0.14 H new ATOM 0 HB VAL B 220 3.863 -7.847 6.320 1.00 0.16 H new ATOM 0 HG11 VAL B 220 3.223 -9.633 7.891 1.00 0.19 H new ATOM 0 HG12 VAL B 220 2.281 -8.147 8.156 1.00 0.19 H new ATOM 0 HG13 VAL B 220 1.543 -9.530 7.315 1.00 0.19 H new ATOM 0 HG21 VAL B 220 4.034 -10.209 5.638 1.00 0.16 H new ATOM 0 HG22 VAL B 220 2.389 -10.127 4.964 1.00 0.16 H new ATOM 0 HG23 VAL B 220 3.691 -9.143 4.255 1.00 0.16 H new ATOM 1281 N LEU B 221 2.557 -5.439 6.602 1.00 0.12 N ATOM 1282 CA LEU B 221 2.459 -4.313 7.522 1.00 0.13 C ATOM 1283 C LEU B 221 1.222 -3.471 7.225 1.00 0.11 C ATOM 1284 O LEU B 221 0.437 -3.154 8.121 1.00 0.12 O ATOM 1285 CB LEU B 221 3.724 -3.460 7.415 1.00 0.15 C ATOM 1286 CG LEU B 221 3.741 -2.178 8.247 1.00 0.16 C ATOM 1287 CD1 LEU B 221 3.626 -2.491 9.732 1.00 0.20 C ATOM 1288 CD2 LEU B 221 5.010 -1.393 7.960 1.00 0.25 C ATOM 0 H LEU B 221 3.421 -5.458 6.061 1.00 0.12 H new ATOM 0 HA LEU B 221 2.364 -4.695 8.538 1.00 0.13 H new ATOM 0 HB2 LEU B 221 4.577 -4.072 7.710 1.00 0.15 H new ATOM 0 HB3 LEU B 221 3.870 -3.192 6.369 1.00 0.15 H new ATOM 0 HG LEU B 221 2.880 -1.571 7.968 1.00 0.16 H new ATOM 0 HD11 LEU B 221 3.641 -1.562 10.302 1.00 0.20 H new ATOM 0 HD12 LEU B 221 2.691 -3.018 9.921 1.00 0.20 H new ATOM 0 HD13 LEU B 221 4.464 -3.117 10.038 1.00 0.20 H new ATOM 0 HD21 LEU B 221 5.016 -0.480 8.556 1.00 0.25 H new ATOM 0 HD22 LEU B 221 5.879 -1.999 8.216 1.00 0.25 H new ATOM 0 HD23 LEU B 221 5.047 -1.135 6.902 1.00 0.25 H new ATOM 1300 N PHE B 222 1.048 -3.136 5.958 1.00 0.10 N ATOM 1301 CA PHE B 222 -0.079 -2.327 5.521 1.00 0.10 C ATOM 1302 C PHE B 222 -1.386 -3.071 5.737 1.00 0.10 C ATOM 1303 O PHE B 222 -2.382 -2.476 6.137 1.00 0.11 O ATOM 1304 CB PHE B 222 0.059 -1.948 4.044 1.00 0.10 C ATOM 1305 CG PHE B 222 1.226 -1.047 3.729 1.00 0.10 C ATOM 1306 CD1 PHE B 222 2.021 -0.524 4.738 1.00 1.23 C ATOM 1307 CD2 PHE B 222 1.526 -0.725 2.413 1.00 1.16 C ATOM 1308 CE1 PHE B 222 3.087 0.298 4.441 1.00 1.24 C ATOM 1309 CE2 PHE B 222 2.593 0.100 2.113 1.00 1.16 C ATOM 1310 CZ PHE B 222 3.374 0.611 3.129 1.00 0.12 C ATOM 0 H PHE B 222 1.679 -3.415 5.207 1.00 0.10 H new ATOM 0 HA PHE B 222 -0.084 -1.415 6.118 1.00 0.10 H new ATOM 0 HB2 PHE B 222 0.154 -2.861 3.456 1.00 0.10 H new ATOM 0 HB3 PHE B 222 -0.859 -1.456 3.722 1.00 0.10 H new ATOM 0 HD1 PHE B 222 1.802 -0.763 5.768 1.00 1.23 H new ATOM 0 HD2 PHE B 222 0.919 -1.124 1.614 1.00 1.16 H new ATOM 0 HE1 PHE B 222 3.698 0.697 5.237 1.00 1.24 H new ATOM 0 HE2 PHE B 222 2.815 0.344 1.085 1.00 1.16 H new ATOM 0 HZ PHE B 222 4.209 1.255 2.897 1.00 0.12 H new ATOM 1320 N LYS B 223 -1.380 -4.376 5.484 1.00 0.10 N ATOM 1321 CA LYS B 223 -2.579 -5.178 5.666 1.00 0.11 C ATOM 1322 C LYS B 223 -2.977 -5.235 7.133 1.00 0.12 C ATOM 1323 O LYS B 223 -4.161 -5.254 7.459 1.00 0.14 O ATOM 1324 CB LYS B 223 -2.390 -6.593 5.124 1.00 0.12 C ATOM 1325 CG LYS B 223 -3.677 -7.398 5.131 1.00 0.13 C ATOM 1326 CD LYS B 223 -3.480 -8.790 4.560 1.00 0.20 C ATOM 1327 CE LYS B 223 -4.806 -9.509 4.409 1.00 0.24 C ATOM 1328 NZ LYS B 223 -4.628 -10.911 3.957 1.00 0.35 N ATOM 0 H LYS B 223 -0.565 -4.894 5.156 1.00 0.10 H new ATOM 0 HA LYS B 223 -3.379 -4.698 5.102 1.00 0.11 H new ATOM 0 HB2 LYS B 223 -2.005 -6.540 4.106 1.00 0.12 H new ATOM 0 HB3 LYS B 223 -1.639 -7.110 5.722 1.00 0.12 H new ATOM 0 HG2 LYS B 223 -4.051 -7.475 6.152 1.00 0.13 H new ATOM 0 HG3 LYS B 223 -4.436 -6.873 4.552 1.00 0.13 H new ATOM 0 HD2 LYS B 223 -2.987 -8.723 3.590 1.00 0.20 H new ATOM 0 HD3 LYS B 223 -2.823 -9.365 5.213 1.00 0.20 H new ATOM 0 HE2 LYS B 223 -5.335 -9.499 5.362 1.00 0.24 H new ATOM 0 HE3 LYS B 223 -5.430 -8.973 3.693 1.00 0.24 H new ATOM 0 HZ1 LYS B 223 -5.394 -11.164 3.301 1.00 0.35 H new ATOM 0 HZ2 LYS B 223 -3.713 -11.006 3.473 1.00 0.35 H new ATOM 0 HZ3 LYS B 223 -4.652 -11.547 4.780 1.00 0.35 H new ATOM 1342 N GLU B 224 -1.992 -5.234 8.018 1.00 0.12 N ATOM 1343 CA GLU B 224 -2.264 -5.284 9.447 1.00 0.14 C ATOM 1344 C GLU B 224 -2.718 -3.918 9.941 1.00 0.14 C ATOM 1345 O GLU B 224 -3.497 -3.811 10.891 1.00 0.16 O ATOM 1346 CB GLU B 224 -1.032 -5.755 10.217 1.00 0.17 C ATOM 1347 CG GLU B 224 -0.663 -7.200 9.927 1.00 0.24 C ATOM 1348 CD GLU B 224 -1.823 -8.148 10.160 1.00 1.36 C ATOM 1349 OE1 GLU B 224 -2.277 -8.265 11.317 1.00 2.27 O ATOM 1350 OE2 GLU B 224 -2.287 -8.784 9.189 1.00 1.92 O ATOM 0 H GLU B 224 -1.002 -5.199 7.774 1.00 0.12 H new ATOM 0 HA GLU B 224 -3.065 -6.002 9.623 1.00 0.14 H new ATOM 0 HB2 GLU B 224 -0.187 -5.113 9.966 1.00 0.17 H new ATOM 0 HB3 GLU B 224 -1.213 -5.640 11.286 1.00 0.17 H new ATOM 0 HG2 GLU B 224 -0.328 -7.287 8.893 1.00 0.24 H new ATOM 0 HG3 GLU B 224 0.175 -7.493 10.559 1.00 0.24 H new ATOM 1357 N ALA B 225 -2.242 -2.876 9.276 1.00 0.14 N ATOM 1358 CA ALA B 225 -2.696 -1.524 9.555 1.00 0.15 C ATOM 1359 C ALA B 225 -4.158 -1.394 9.161 1.00 0.15 C ATOM 1360 O ALA B 225 -4.970 -0.824 9.889 1.00 0.16 O ATOM 1361 CB ALA B 225 -1.849 -0.513 8.801 1.00 0.15 C ATOM 0 H ALA B 225 -1.540 -2.942 8.539 1.00 0.14 H new ATOM 0 HA ALA B 225 -2.592 -1.322 10.621 1.00 0.15 H new ATOM 0 HB1 ALA B 225 -2.203 0.494 9.021 1.00 0.15 H new ATOM 0 HB2 ALA B 225 -0.808 -0.608 9.110 1.00 0.15 H new ATOM 0 HB3 ALA B 225 -1.928 -0.699 7.730 1.00 0.15 H new ATOM 1367 N TRP B 226 -4.480 -1.962 8.006 1.00 0.15 N ATOM 1368 CA TRP B 226 -5.843 -2.006 7.511 1.00 0.16 C ATOM 1369 C TRP B 226 -6.715 -2.831 8.454 1.00 0.17 C ATOM 1370 O TRP B 226 -7.872 -2.500 8.700 1.00 0.19 O ATOM 1371 CB TRP B 226 -5.858 -2.594 6.095 1.00 0.16 C ATOM 1372 CG TRP B 226 -7.225 -2.909 5.590 1.00 0.15 C ATOM 1373 CD1 TRP B 226 -8.180 -2.023 5.185 1.00 0.16 C ATOM 1374 CD2 TRP B 226 -7.790 -4.211 5.440 1.00 0.15 C ATOM 1375 NE1 TRP B 226 -9.309 -2.697 4.793 1.00 0.17 N ATOM 1376 CE2 TRP B 226 -9.094 -4.044 4.940 1.00 0.16 C ATOM 1377 CE3 TRP B 226 -7.318 -5.502 5.681 1.00 0.16 C ATOM 1378 CZ2 TRP B 226 -9.930 -5.124 4.679 1.00 0.17 C ATOM 1379 CZ3 TRP B 226 -8.147 -6.571 5.422 1.00 0.18 C ATOM 1380 CH2 TRP B 226 -9.440 -6.378 4.925 1.00 0.18 C ATOM 0 H TRP B 226 -3.800 -2.405 7.388 1.00 0.15 H new ATOM 0 HA TRP B 226 -6.249 -0.995 7.471 1.00 0.16 H new ATOM 0 HB2 TRP B 226 -5.382 -1.889 5.413 1.00 0.16 H new ATOM 0 HB3 TRP B 226 -5.257 -3.504 6.083 1.00 0.16 H new ATOM 0 HD1 TRP B 226 -8.064 -0.949 5.174 1.00 0.16 H new ATOM 0 HE1 TRP B 226 -10.167 -2.267 4.449 1.00 0.17 H new ATOM 0 HE3 TRP B 226 -6.321 -5.660 6.064 1.00 0.16 H new ATOM 0 HZ2 TRP B 226 -10.929 -4.979 4.296 1.00 0.17 H new ATOM 0 HZ3 TRP B 226 -7.793 -7.575 5.606 1.00 0.18 H new ATOM 0 HH2 TRP B 226 -10.065 -7.237 4.731 1.00 0.18 H new ATOM 1391 N ARG B 227 -6.140 -3.895 8.998 1.00 0.18 N ATOM 1392 CA ARG B 227 -6.826 -4.716 9.984 1.00 0.21 C ATOM 1393 C ARG B 227 -7.148 -3.907 11.234 1.00 0.24 C ATOM 1394 O ARG B 227 -8.209 -4.076 11.837 1.00 0.25 O ATOM 1395 CB ARG B 227 -5.979 -5.930 10.359 1.00 0.24 C ATOM 1396 CG ARG B 227 -5.921 -6.996 9.281 1.00 0.27 C ATOM 1397 CD ARG B 227 -7.280 -7.631 9.058 1.00 0.38 C ATOM 1398 NE ARG B 227 -7.227 -8.719 8.085 1.00 0.98 N ATOM 1399 CZ ARG B 227 -8.297 -9.221 7.475 1.00 1.26 C ATOM 1400 NH1 ARG B 227 -9.508 -8.757 7.765 1.00 0.71 N ATOM 1401 NH2 ARG B 227 -8.162 -10.196 6.581 1.00 2.25 N ATOM 0 H ARG B 227 -5.197 -4.210 8.771 1.00 0.18 H new ATOM 0 HA ARG B 227 -7.760 -5.060 9.539 1.00 0.21 H new ATOM 0 HB2 ARG B 227 -4.965 -5.598 10.583 1.00 0.24 H new ATOM 0 HB3 ARG B 227 -6.379 -6.372 11.272 1.00 0.24 H new ATOM 0 HG2 ARG B 227 -5.566 -6.555 8.349 1.00 0.27 H new ATOM 0 HG3 ARG B 227 -5.201 -7.764 9.564 1.00 0.27 H new ATOM 0 HD2 ARG B 227 -7.661 -8.011 10.006 1.00 0.38 H new ATOM 0 HD3 ARG B 227 -7.982 -6.872 8.714 1.00 0.38 H new ATOM 0 HE ARG B 227 -6.315 -9.117 7.860 1.00 0.98 H new ATOM 0 HH11 ARG B 227 -9.618 -8.015 8.456 1.00 0.71 H new ATOM 0 HH12 ARG B 227 -10.328 -9.143 7.296 1.00 0.71 H new ATOM 0 HH21 ARG B 227 -7.235 -10.561 6.361 1.00 2.25 H new ATOM 0 HH22 ARG B 227 -8.985 -10.578 6.115 1.00 2.25 H new ATOM 1415 N SER B 228 -6.233 -3.023 11.617 1.00 0.28 N ATOM 1416 CA SER B 228 -6.418 -2.176 12.787 1.00 0.33 C ATOM 1417 C SER B 228 -7.406 -1.044 12.488 1.00 0.36 C ATOM 1418 O SER B 228 -7.854 -0.335 13.393 1.00 0.40 O ATOM 1419 CB SER B 228 -5.059 -1.607 13.221 1.00 0.36 C ATOM 1420 OG SER B 228 -5.137 -0.950 14.477 1.00 1.18 O ATOM 0 H SER B 228 -5.350 -2.875 11.129 1.00 0.28 H new ATOM 0 HA SER B 228 -6.834 -2.774 13.598 1.00 0.33 H new ATOM 0 HB2 SER B 228 -4.329 -2.414 13.278 1.00 0.36 H new ATOM 0 HB3 SER B 228 -4.701 -0.907 12.466 1.00 0.36 H new ATOM 0 HG SER B 228 -6.016 -0.528 14.571 1.00 1.18 H new ATOM 1426 N SER B 229 -7.759 -0.889 11.215 1.00 0.34 N ATOM 1427 CA SER B 229 -8.700 0.142 10.801 1.00 0.37 C ATOM 1428 C SER B 229 -10.126 -0.277 11.156 1.00 0.38 C ATOM 1429 O SER B 229 -11.070 0.504 11.030 1.00 0.42 O ATOM 1430 CB SER B 229 -8.571 0.405 9.295 1.00 0.34 C ATOM 1431 OG SER B 229 -9.325 1.537 8.896 1.00 0.93 O ATOM 0 H SER B 229 -7.405 -1.467 10.452 1.00 0.34 H new ATOM 0 HA SER B 229 -8.469 1.066 11.331 1.00 0.37 H new ATOM 0 HB2 SER B 229 -7.522 0.558 9.040 1.00 0.34 H new ATOM 0 HB3 SER B 229 -8.909 -0.471 8.742 1.00 0.34 H new ATOM 0 HG SER B 229 -10.140 1.595 9.438 1.00 0.93 H new ATOM 1437 N PHE B 230 -10.267 -1.518 11.603 1.00 0.36 N ATOM 1438 CA PHE B 230 -11.549 -2.024 12.061 1.00 0.38 C ATOM 1439 C PHE B 230 -11.583 -2.044 13.582 1.00 0.51 C ATOM 1440 O PHE B 230 -11.127 -3.042 14.178 1.00 1.21 O ATOM 1441 CB PHE B 230 -11.815 -3.422 11.507 1.00 0.31 C ATOM 1442 CG PHE B 230 -11.908 -3.459 10.011 1.00 0.30 C ATOM 1443 CD1 PHE B 230 -13.091 -3.132 9.369 1.00 1.21 C ATOM 1444 CD2 PHE B 230 -10.811 -3.816 9.247 1.00 1.21 C ATOM 1445 CE1 PHE B 230 -13.177 -3.161 7.991 1.00 1.27 C ATOM 1446 CE2 PHE B 230 -10.891 -3.848 7.871 1.00 1.22 C ATOM 1447 CZ PHE B 230 -12.075 -3.520 7.241 1.00 0.47 C ATOM 1448 OXT PHE B 230 -12.043 -1.049 14.177 1.00 1.23 O ATOM 0 H PHE B 230 -9.504 -2.193 11.657 1.00 0.36 H new ATOM 0 HA PHE B 230 -12.333 -1.361 11.694 1.00 0.38 H new ATOM 0 HB2 PHE B 230 -11.018 -4.091 11.831 1.00 0.31 H new ATOM 0 HB3 PHE B 230 -12.744 -3.803 11.931 1.00 0.31 H new ATOM 0 HD1 PHE B 230 -13.955 -2.851 9.952 1.00 1.21 H new ATOM 0 HD2 PHE B 230 -9.882 -4.072 9.734 1.00 1.21 H new ATOM 0 HE1 PHE B 230 -14.104 -2.903 7.501 1.00 1.27 H new ATOM 0 HE2 PHE B 230 -10.028 -4.130 7.286 1.00 1.22 H new ATOM 0 HZ PHE B 230 -12.139 -3.544 6.163 1.00 0.47 H new