USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=12 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 202 GLN : amide:sc= -2.42! C(o=-3.1!,f=-7.9!) USER MOD Set 1.2: B 216 ASN : amide:sc= -0.714! X(o=-3.1!,f=-3) USER MOD Set 2.1: A 202 GLN : amide:sc= -2.42! C(o=-3.2!,f=-7.9!) USER MOD Set 2.2: A 216 ASN : amide:sc= -0.783! X(o=-3.2!,f=-2.9) USER MOD Single : A 190 SER OG : rot -28:sc= 0.55 USER MOD Single : A 194 THR OG1 : rot -49:sc= 1.47 USER MOD Single : A 207 GLN : amide:sc= 0.0282 X(o=0.028,f=0) USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 217 LYS NZ :NH3+ -146:sc= 1.26 (180deg=0.975) USER MOD Single : A 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 228 SER OG : rot 73:sc= 1.23 USER MOD Single : A 229 SER OG : rot -36:sc= 0.134 USER MOD Single : B 190 SER OG : rot -18:sc= 0.502 USER MOD Single : B 194 THR OG1 : rot -91:sc= 1.47 USER MOD Single : B 207 GLN : amide:sc= 0.0783 X(o=0.078,f=0) USER MOD Single : B 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 212 TYR OH : rot 180:sc= 0 USER MOD Single : B 217 LYS NZ :NH3+ -139:sc= 1.25 (180deg=0.982) USER MOD Single : B 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 228 SER OG : rot 72:sc= 1.25 USER MOD Single : B 229 SER OG : rot -26:sc= 0.162 USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 190 14.073 3.934 0.079 1.00 0.39 N ATOM 49 CA SER A 190 14.270 5.353 -0.175 1.00 0.43 C ATOM 50 C SER A 190 13.206 5.886 -1.134 1.00 0.37 C ATOM 51 O SER A 190 12.828 7.055 -1.073 1.00 0.39 O ATOM 52 CB SER A 190 15.668 5.576 -0.736 1.00 0.55 C ATOM 53 OG SER A 190 16.020 4.520 -1.612 1.00 1.24 O ATOM 0 HA SER A 190 14.171 5.901 0.762 1.00 0.43 H new ATOM 0 HB2 SER A 190 15.707 6.527 -1.268 1.00 0.55 H new ATOM 0 HB3 SER A 190 16.389 5.637 0.079 1.00 0.55 H new ATOM 0 HG SER A 190 15.552 3.702 -1.343 1.00 1.24 H new ATOM 59 N VAL A 191 12.714 5.013 -2.012 1.00 0.35 N ATOM 60 CA VAL A 191 11.635 5.375 -2.915 1.00 0.30 C ATOM 61 C VAL A 191 10.305 5.393 -2.166 1.00 0.25 C ATOM 62 O VAL A 191 9.420 6.173 -2.484 1.00 0.25 O ATOM 63 CB VAL A 191 11.546 4.416 -4.126 1.00 0.30 C ATOM 64 CG1 VAL A 191 11.189 3.002 -3.693 1.00 0.35 C ATOM 65 CG2 VAL A 191 10.541 4.932 -5.144 1.00 0.31 C ATOM 0 H VAL A 191 13.047 4.054 -2.113 1.00 0.35 H new ATOM 0 HA VAL A 191 11.851 6.372 -3.298 1.00 0.30 H new ATOM 0 HB VAL A 191 12.530 4.381 -4.593 1.00 0.30 H new ATOM 0 HG11 VAL A 191 11.135 2.356 -4.569 1.00 0.35 H new ATOM 0 HG12 VAL A 191 11.952 2.626 -3.012 1.00 0.35 H new ATOM 0 HG13 VAL A 191 10.223 3.009 -3.188 1.00 0.35 H new ATOM 0 HG21 VAL A 191 10.492 4.244 -5.988 1.00 0.31 H new ATOM 0 HG22 VAL A 191 9.558 5.006 -4.679 1.00 0.31 H new ATOM 0 HG23 VAL A 191 10.851 5.916 -5.495 1.00 0.31 H new ATOM 75 N VAL A 192 10.192 4.552 -1.146 1.00 0.24 N ATOM 76 CA VAL A 192 8.991 4.497 -0.323 1.00 0.21 C ATOM 77 C VAL A 192 8.886 5.761 0.510 1.00 0.20 C ATOM 78 O VAL A 192 7.804 6.175 0.915 1.00 0.20 O ATOM 79 CB VAL A 192 9.003 3.273 0.616 1.00 0.20 C ATOM 80 CG1 VAL A 192 7.734 3.206 1.450 1.00 0.17 C ATOM 81 CG2 VAL A 192 9.180 1.997 -0.180 1.00 0.23 C ATOM 0 H VAL A 192 10.922 3.896 -0.868 1.00 0.24 H new ATOM 0 HA VAL A 192 8.133 4.410 -0.990 1.00 0.21 H new ATOM 0 HB VAL A 192 9.847 3.382 1.297 1.00 0.20 H new ATOM 0 HG11 VAL A 192 7.772 2.333 2.101 1.00 0.17 H new ATOM 0 HG12 VAL A 192 7.649 4.108 2.056 1.00 0.17 H new ATOM 0 HG13 VAL A 192 6.869 3.129 0.791 1.00 0.17 H new ATOM 0 HG21 VAL A 192 9.186 1.143 0.498 1.00 0.23 H new ATOM 0 HG22 VAL A 192 8.358 1.893 -0.888 1.00 0.23 H new ATOM 0 HG23 VAL A 192 10.124 2.035 -0.724 1.00 0.23 H new ATOM 91 N ALA A 193 10.025 6.392 0.731 1.00 0.22 N ATOM 92 CA ALA A 193 10.091 7.595 1.535 1.00 0.22 C ATOM 93 C ALA A 193 9.742 8.834 0.717 1.00 0.22 C ATOM 94 O ALA A 193 9.967 9.961 1.162 1.00 0.24 O ATOM 95 CB ALA A 193 11.478 7.732 2.143 1.00 0.24 C ATOM 0 H ALA A 193 10.924 6.086 0.360 1.00 0.22 H new ATOM 0 HA ALA A 193 9.354 7.512 2.334 1.00 0.22 H new ATOM 0 HB1 ALA A 193 11.523 8.638 2.747 1.00 0.24 H new ATOM 0 HB2 ALA A 193 11.687 6.866 2.772 1.00 0.24 H new ATOM 0 HB3 ALA A 193 12.220 7.790 1.347 1.00 0.24 H new ATOM 101 N THR A 194 9.197 8.638 -0.480 1.00 0.22 N ATOM 102 CA THR A 194 8.907 9.756 -1.357 1.00 0.23 C ATOM 103 C THR A 194 7.408 9.998 -1.433 1.00 0.22 C ATOM 104 O THR A 194 6.605 9.069 -1.303 1.00 0.20 O ATOM 105 CB THR A 194 9.449 9.535 -2.786 1.00 0.24 C ATOM 106 OG1 THR A 194 8.740 8.472 -3.435 1.00 0.24 O ATOM 107 CG2 THR A 194 10.931 9.207 -2.757 1.00 0.26 C ATOM 0 H THR A 194 8.951 7.723 -0.858 1.00 0.22 H new ATOM 0 HA THR A 194 9.408 10.625 -0.930 1.00 0.23 H new ATOM 0 HB THR A 194 9.301 10.460 -3.344 1.00 0.24 H new ATOM 0 HG1 THR A 194 8.708 7.691 -2.844 1.00 0.24 H new ATOM 0 HG21 THR A 194 11.290 9.056 -3.775 1.00 0.26 H new ATOM 0 HG22 THR A 194 11.477 10.031 -2.298 1.00 0.26 H new ATOM 0 HG23 THR A 194 11.091 8.298 -2.177 1.00 0.26 H new ATOM 115 N GLU A 195 7.046 11.250 -1.650 1.00 0.26 N ATOM 116 CA GLU A 195 5.651 11.629 -1.796 1.00 0.26 C ATOM 117 C GLU A 195 5.074 10.998 -3.051 1.00 0.20 C ATOM 118 O GLU A 195 3.901 10.634 -3.098 1.00 0.19 O ATOM 119 CB GLU A 195 5.505 13.145 -1.865 1.00 0.36 C ATOM 120 CG GLU A 195 6.031 13.866 -0.640 1.00 0.83 C ATOM 121 CD GLU A 195 5.698 15.338 -0.653 1.00 1.69 C ATOM 122 OE1 GLU A 195 6.457 16.123 -1.262 1.00 2.22 O ATOM 123 OE2 GLU A 195 4.670 15.725 -0.058 1.00 2.46 O ATOM 0 H GLU A 195 7.703 12.026 -1.729 1.00 0.26 H new ATOM 0 HA GLU A 195 5.104 11.270 -0.925 1.00 0.26 H new ATOM 0 HB2 GLU A 195 6.032 13.512 -2.746 1.00 0.36 H new ATOM 0 HB3 GLU A 195 4.452 13.394 -1.997 1.00 0.36 H new ATOM 0 HG2 GLU A 195 5.611 13.409 0.256 1.00 0.83 H new ATOM 0 HG3 GLU A 195 7.112 13.741 -0.584 1.00 0.83 H new ATOM 130 N ALA A 196 5.922 10.880 -4.064 1.00 0.21 N ATOM 131 CA ALA A 196 5.547 10.254 -5.324 1.00 0.21 C ATOM 132 C ALA A 196 5.162 8.791 -5.137 1.00 0.17 C ATOM 133 O ALA A 196 4.265 8.293 -5.821 1.00 0.17 O ATOM 134 CB ALA A 196 6.682 10.377 -6.325 1.00 0.26 C ATOM 0 H ALA A 196 6.885 11.214 -4.036 1.00 0.21 H new ATOM 0 HA ALA A 196 4.671 10.777 -5.707 1.00 0.21 H new ATOM 0 HB1 ALA A 196 6.392 9.906 -7.264 1.00 0.26 H new ATOM 0 HB2 ALA A 196 6.900 11.430 -6.500 1.00 0.26 H new ATOM 0 HB3 ALA A 196 7.570 9.883 -5.931 1.00 0.26 H new ATOM 140 N PHE A 197 5.833 8.104 -4.216 1.00 0.14 N ATOM 141 CA PHE A 197 5.517 6.706 -3.941 1.00 0.12 C ATOM 142 C PHE A 197 4.110 6.588 -3.391 1.00 0.11 C ATOM 143 O PHE A 197 3.308 5.804 -3.881 1.00 0.11 O ATOM 144 CB PHE A 197 6.507 6.103 -2.941 1.00 0.10 C ATOM 145 CG PHE A 197 6.125 4.724 -2.466 1.00 0.10 C ATOM 146 CD1 PHE A 197 6.525 3.600 -3.166 1.00 0.17 C ATOM 147 CD2 PHE A 197 5.356 4.557 -1.323 1.00 0.14 C ATOM 148 CE1 PHE A 197 6.164 2.336 -2.737 1.00 0.22 C ATOM 149 CE2 PHE A 197 4.996 3.298 -0.891 1.00 0.15 C ATOM 150 CZ PHE A 197 5.400 2.186 -1.600 1.00 0.17 C ATOM 0 H PHE A 197 6.592 8.488 -3.653 1.00 0.14 H new ATOM 0 HA PHE A 197 5.591 6.155 -4.879 1.00 0.12 H new ATOM 0 HB2 PHE A 197 7.494 6.058 -3.402 1.00 0.10 H new ATOM 0 HB3 PHE A 197 6.588 6.765 -2.079 1.00 0.10 H new ATOM 0 HD1 PHE A 197 7.125 3.711 -4.057 1.00 0.17 H new ATOM 0 HD2 PHE A 197 5.035 5.424 -0.765 1.00 0.14 H new ATOM 0 HE1 PHE A 197 6.481 1.466 -3.293 1.00 0.22 H new ATOM 0 HE2 PHE A 197 4.399 3.183 0.001 1.00 0.15 H new ATOM 0 HZ PHE A 197 5.118 1.199 -1.264 1.00 0.17 H new ATOM 160 N TRP A 198 3.824 7.380 -2.374 1.00 0.11 N ATOM 161 CA TRP A 198 2.526 7.344 -1.724 1.00 0.11 C ATOM 162 C TRP A 198 1.434 7.863 -2.645 1.00 0.12 C ATOM 163 O TRP A 198 0.288 7.423 -2.569 1.00 0.13 O ATOM 164 CB TRP A 198 2.573 8.123 -0.411 1.00 0.11 C ATOM 165 CG TRP A 198 3.512 7.496 0.568 1.00 0.11 C ATOM 166 CD1 TRP A 198 4.715 7.982 0.989 1.00 0.12 C ATOM 167 CD2 TRP A 198 3.338 6.234 1.217 1.00 0.12 C ATOM 168 NE1 TRP A 198 5.296 7.100 1.866 1.00 0.13 N ATOM 169 CE2 TRP A 198 4.468 6.020 2.024 1.00 0.13 C ATOM 170 CE3 TRP A 198 2.331 5.266 1.197 1.00 0.14 C ATOM 171 CZ2 TRP A 198 4.621 4.877 2.802 1.00 0.16 C ATOM 172 CZ3 TRP A 198 2.483 4.132 1.970 1.00 0.16 C ATOM 173 CH2 TRP A 198 3.620 3.946 2.763 1.00 0.17 C ATOM 0 H TRP A 198 4.475 8.058 -1.979 1.00 0.11 H new ATOM 0 HA TRP A 198 2.282 6.307 -1.494 1.00 0.11 H new ATOM 0 HB2 TRP A 198 2.883 9.149 -0.607 1.00 0.11 H new ATOM 0 HB3 TRP A 198 1.573 8.169 0.021 1.00 0.11 H new ATOM 0 HD1 TRP A 198 5.147 8.922 0.678 1.00 0.12 H new ATOM 0 HE1 TRP A 198 6.198 7.228 2.325 1.00 0.13 H new ATOM 0 HE3 TRP A 198 1.450 5.402 0.588 1.00 0.14 H new ATOM 0 HZ2 TRP A 198 5.498 4.730 3.414 1.00 0.16 H new ATOM 0 HZ3 TRP A 198 1.711 3.376 1.962 1.00 0.16 H new ATOM 0 HH2 TRP A 198 3.709 3.048 3.357 1.00 0.17 H new ATOM 184 N ASP A 199 1.796 8.774 -3.532 1.00 0.13 N ATOM 185 CA ASP A 199 0.852 9.301 -4.505 1.00 0.16 C ATOM 186 C ASP A 199 0.461 8.219 -5.503 1.00 0.14 C ATOM 187 O ASP A 199 -0.714 8.053 -5.824 1.00 0.15 O ATOM 188 CB ASP A 199 1.446 10.503 -5.242 1.00 0.21 C ATOM 189 CG ASP A 199 0.491 11.078 -6.266 1.00 0.30 C ATOM 190 OD1 ASP A 199 -0.425 11.832 -5.875 1.00 1.01 O ATOM 191 OD2 ASP A 199 0.655 10.787 -7.467 1.00 1.23 O ATOM 0 H ASP A 199 2.736 9.164 -3.599 1.00 0.13 H new ATOM 0 HA ASP A 199 -0.040 9.629 -3.970 1.00 0.16 H new ATOM 0 HB2 ASP A 199 1.709 11.276 -4.520 1.00 0.21 H new ATOM 0 HB3 ASP A 199 2.369 10.203 -5.738 1.00 0.21 H new ATOM 196 N ASP A 200 1.453 7.470 -5.970 1.00 0.16 N ATOM 197 CA ASP A 200 1.221 6.396 -6.932 1.00 0.18 C ATOM 198 C ASP A 200 0.517 5.231 -6.244 1.00 0.14 C ATOM 199 O ASP A 200 -0.332 4.562 -6.832 1.00 0.15 O ATOM 200 CB ASP A 200 2.550 5.928 -7.529 1.00 0.24 C ATOM 201 CG ASP A 200 2.404 5.340 -8.920 1.00 0.55 C ATOM 202 OD1 ASP A 200 1.633 4.375 -9.098 1.00 1.37 O ATOM 203 OD2 ASP A 200 3.080 5.836 -9.849 1.00 1.12 O ATOM 0 H ASP A 200 2.429 7.586 -5.698 1.00 0.16 H new ATOM 0 HA ASP A 200 0.588 6.770 -7.737 1.00 0.18 H new ATOM 0 HB2 ASP A 200 3.241 6.770 -7.568 1.00 0.24 H new ATOM 0 HB3 ASP A 200 2.994 5.182 -6.870 1.00 0.24 H new ATOM 208 N LEU A 201 0.880 5.008 -4.986 1.00 0.12 N ATOM 209 CA LEU A 201 0.246 3.995 -4.149 1.00 0.11 C ATOM 210 C LEU A 201 -1.248 4.290 -4.042 1.00 0.12 C ATOM 211 O LEU A 201 -2.088 3.412 -4.259 1.00 0.13 O ATOM 212 CB LEU A 201 0.918 4.010 -2.759 1.00 0.11 C ATOM 213 CG LEU A 201 0.722 2.779 -1.857 1.00 0.11 C ATOM 214 CD1 LEU A 201 -0.714 2.657 -1.376 1.00 0.18 C ATOM 215 CD2 LEU A 201 1.151 1.510 -2.576 1.00 0.13 C ATOM 0 H LEU A 201 1.623 5.525 -4.517 1.00 0.12 H new ATOM 0 HA LEU A 201 0.366 3.004 -4.587 1.00 0.11 H new ATOM 0 HB2 LEU A 201 1.989 4.151 -2.906 1.00 0.11 H new ATOM 0 HB3 LEU A 201 0.552 4.883 -2.219 1.00 0.11 H new ATOM 0 HG LEU A 201 1.355 2.915 -0.980 1.00 0.11 H new ATOM 0 HD11 LEU A 201 -0.812 1.776 -0.742 1.00 0.18 H new ATOM 0 HD12 LEU A 201 -0.983 3.546 -0.806 1.00 0.18 H new ATOM 0 HD13 LEU A 201 -1.379 2.562 -2.235 1.00 0.18 H new ATOM 0 HD21 LEU A 201 1.004 0.652 -1.920 1.00 0.13 H new ATOM 0 HD22 LEU A 201 0.553 1.383 -3.478 1.00 0.13 H new ATOM 0 HD23 LEU A 201 2.204 1.583 -2.846 1.00 0.13 H new ATOM 227 N GLN A 202 -1.579 5.544 -3.755 1.00 0.11 N ATOM 228 CA GLN A 202 -2.969 5.957 -3.711 1.00 0.12 C ATOM 229 C GLN A 202 -3.576 5.908 -5.105 1.00 0.12 C ATOM 230 O GLN A 202 -4.768 5.694 -5.257 1.00 0.13 O ATOM 231 CB GLN A 202 -3.122 7.355 -3.118 1.00 0.15 C ATOM 232 CG GLN A 202 -4.560 7.842 -3.144 1.00 0.21 C ATOM 233 CD GLN A 202 -4.765 9.155 -2.428 1.00 0.25 C ATOM 234 OE1 GLN A 202 -4.096 9.452 -1.442 1.00 0.71 O ATOM 235 NE2 GLN A 202 -5.688 9.953 -2.928 1.00 0.40 N ATOM 0 H GLN A 202 -0.907 6.284 -3.551 1.00 0.11 H new ATOM 0 HA GLN A 202 -3.502 5.261 -3.063 1.00 0.12 H new ATOM 0 HB2 GLN A 202 -2.761 7.352 -2.089 1.00 0.15 H new ATOM 0 HB3 GLN A 202 -2.495 8.053 -3.673 1.00 0.15 H new ATOM 0 HG2 GLN A 202 -4.880 7.949 -4.180 1.00 0.21 H new ATOM 0 HG3 GLN A 202 -5.200 7.086 -2.689 1.00 0.21 H new ATOM 0 HE21 GLN A 202 -6.220 9.665 -3.749 1.00 0.40 H new ATOM 0 HE22 GLN A 202 -5.870 10.858 -2.494 1.00 0.40 H new ATOM 244 N GLY A 203 -2.745 6.101 -6.122 1.00 0.14 N ATOM 245 CA GLY A 203 -3.202 5.966 -7.492 1.00 0.16 C ATOM 246 C GLY A 203 -3.722 4.569 -7.772 1.00 0.15 C ATOM 247 O GLY A 203 -4.760 4.398 -8.416 1.00 0.15 O ATOM 0 H GLY A 203 -1.761 6.349 -6.022 1.00 0.14 H new ATOM 0 HA2 GLY A 203 -3.990 6.694 -7.687 1.00 0.16 H new ATOM 0 HA3 GLY A 203 -2.382 6.193 -8.174 1.00 0.16 H new ATOM 251 N PHE A 204 -3.013 3.568 -7.262 1.00 0.15 N ATOM 252 CA PHE A 204 -3.448 2.187 -7.390 1.00 0.17 C ATOM 253 C PHE A 204 -4.720 1.971 -6.592 1.00 0.17 C ATOM 254 O PHE A 204 -5.628 1.264 -7.025 1.00 0.18 O ATOM 255 CB PHE A 204 -2.364 1.218 -6.909 1.00 0.20 C ATOM 256 CG PHE A 204 -2.868 -0.192 -6.758 1.00 0.22 C ATOM 257 CD1 PHE A 204 -3.193 -0.953 -7.869 1.00 1.24 C ATOM 258 CD2 PHE A 204 -3.038 -0.747 -5.499 1.00 1.19 C ATOM 259 CE1 PHE A 204 -3.679 -2.239 -7.726 1.00 1.26 C ATOM 260 CE2 PHE A 204 -3.520 -2.033 -5.352 1.00 1.20 C ATOM 261 CZ PHE A 204 -3.843 -2.779 -6.466 1.00 0.31 C ATOM 0 H PHE A 204 -2.135 3.690 -6.757 1.00 0.15 H new ATOM 0 HA PHE A 204 -3.640 1.988 -8.444 1.00 0.17 H new ATOM 0 HB2 PHE A 204 -1.534 1.229 -7.615 1.00 0.20 H new ATOM 0 HB3 PHE A 204 -1.973 1.564 -5.952 1.00 0.20 H new ATOM 0 HD1 PHE A 204 -3.065 -0.537 -8.857 1.00 1.24 H new ATOM 0 HD2 PHE A 204 -2.791 -0.167 -4.622 1.00 1.19 H new ATOM 0 HE1 PHE A 204 -3.930 -2.821 -8.600 1.00 1.26 H new ATOM 0 HE2 PHE A 204 -3.644 -2.454 -4.365 1.00 1.20 H new ATOM 0 HZ PHE A 204 -4.223 -3.783 -6.353 1.00 0.31 H new ATOM 271 N LEU A 205 -4.786 2.605 -5.433 1.00 0.16 N ATOM 272 CA LEU A 205 -5.936 2.471 -4.555 1.00 0.17 C ATOM 273 C LEU A 205 -7.176 3.088 -5.193 1.00 0.17 C ATOM 274 O LEU A 205 -8.263 2.542 -5.092 1.00 0.19 O ATOM 275 CB LEU A 205 -5.650 3.126 -3.203 1.00 0.17 C ATOM 276 CG LEU A 205 -5.021 2.222 -2.133 1.00 0.17 C ATOM 277 CD1 LEU A 205 -3.983 1.283 -2.729 1.00 0.18 C ATOM 278 CD2 LEU A 205 -4.384 3.073 -1.050 1.00 0.15 C ATOM 0 H LEU A 205 -4.054 3.220 -5.078 1.00 0.16 H new ATOM 0 HA LEU A 205 -6.126 1.409 -4.396 1.00 0.17 H new ATOM 0 HB2 LEU A 205 -4.987 3.976 -3.367 1.00 0.17 H new ATOM 0 HB3 LEU A 205 -6.586 3.523 -2.810 1.00 0.17 H new ATOM 0 HG LEU A 205 -5.815 1.612 -1.703 1.00 0.17 H new ATOM 0 HD11 LEU A 205 -3.561 0.660 -1.941 1.00 0.18 H new ATOM 0 HD12 LEU A 205 -4.455 0.649 -3.480 1.00 0.18 H new ATOM 0 HD13 LEU A 205 -3.189 1.867 -3.194 1.00 0.18 H new ATOM 0 HD21 LEU A 205 -3.939 2.426 -0.294 1.00 0.15 H new ATOM 0 HD22 LEU A 205 -3.610 3.702 -1.490 1.00 0.15 H new ATOM 0 HD23 LEU A 205 -5.144 3.703 -0.588 1.00 0.15 H new ATOM 290 N GLU A 206 -7.007 4.225 -5.849 1.00 0.17 N ATOM 291 CA GLU A 206 -8.101 4.882 -6.546 1.00 0.19 C ATOM 292 C GLU A 206 -8.596 4.030 -7.708 1.00 0.21 C ATOM 293 O GLU A 206 -9.799 3.901 -7.920 1.00 0.24 O ATOM 294 CB GLU A 206 -7.662 6.260 -7.045 1.00 0.21 C ATOM 295 CG GLU A 206 -7.484 7.283 -5.932 1.00 0.23 C ATOM 296 CD GLU A 206 -6.936 8.606 -6.428 1.00 0.30 C ATOM 297 OE1 GLU A 206 -7.473 9.147 -7.415 1.00 1.12 O ATOM 298 OE2 GLU A 206 -5.954 9.107 -5.841 1.00 1.13 O ATOM 0 H GLU A 206 -6.115 4.715 -5.913 1.00 0.17 H new ATOM 0 HA GLU A 206 -8.925 5.009 -5.843 1.00 0.19 H new ATOM 0 HB2 GLU A 206 -6.722 6.158 -7.587 1.00 0.21 H new ATOM 0 HB3 GLU A 206 -8.401 6.632 -7.755 1.00 0.21 H new ATOM 0 HG2 GLU A 206 -8.444 7.453 -5.445 1.00 0.23 H new ATOM 0 HG3 GLU A 206 -6.811 6.877 -5.177 1.00 0.23 H new ATOM 305 N GLN A 207 -7.668 3.464 -8.469 1.00 0.22 N ATOM 306 CA GLN A 207 -8.023 2.574 -9.572 1.00 0.26 C ATOM 307 C GLN A 207 -8.791 1.349 -9.084 1.00 0.26 C ATOM 308 O GLN A 207 -9.845 1.013 -9.618 1.00 0.27 O ATOM 309 CB GLN A 207 -6.766 2.130 -10.313 1.00 0.34 C ATOM 310 CG GLN A 207 -6.094 3.244 -11.091 1.00 0.41 C ATOM 311 CD GLN A 207 -4.776 2.813 -11.699 1.00 0.54 C ATOM 312 OE1 GLN A 207 -4.729 2.292 -12.815 1.00 0.80 O ATOM 313 NE2 GLN A 207 -3.692 3.038 -10.977 1.00 1.13 N ATOM 0 H GLN A 207 -6.665 3.604 -8.345 1.00 0.22 H new ATOM 0 HA GLN A 207 -8.671 3.131 -10.249 1.00 0.26 H new ATOM 0 HB2 GLN A 207 -6.056 1.721 -9.594 1.00 0.34 H new ATOM 0 HB3 GLN A 207 -7.025 1.324 -10.999 1.00 0.34 H new ATOM 0 HG2 GLN A 207 -6.762 3.584 -11.883 1.00 0.41 H new ATOM 0 HG3 GLN A 207 -5.925 4.094 -10.430 1.00 0.41 H new ATOM 0 HE21 GLN A 207 -3.773 3.472 -10.057 1.00 1.13 H new ATOM 0 HE22 GLN A 207 -2.775 2.778 -11.340 1.00 1.13 H new ATOM 322 N ARG A 208 -8.265 0.702 -8.057 1.00 0.29 N ATOM 323 CA ARG A 208 -8.811 -0.561 -7.582 1.00 0.35 C ATOM 324 C ARG A 208 -10.111 -0.353 -6.799 1.00 0.36 C ATOM 325 O ARG A 208 -11.077 -1.092 -6.972 1.00 0.41 O ATOM 326 CB ARG A 208 -7.775 -1.256 -6.699 1.00 0.40 C ATOM 327 CG ARG A 208 -7.954 -2.761 -6.585 1.00 0.71 C ATOM 328 CD ARG A 208 -7.692 -3.460 -7.909 1.00 0.48 C ATOM 329 NE ARG A 208 -7.535 -4.905 -7.739 1.00 1.25 N ATOM 330 CZ ARG A 208 -6.560 -5.622 -8.301 1.00 1.28 C ATOM 331 NH1 ARG A 208 -5.684 -5.043 -9.117 1.00 1.59 N ATOM 332 NH2 ARG A 208 -6.470 -6.920 -8.054 1.00 1.97 N ATOM 0 H ARG A 208 -7.455 1.033 -7.532 1.00 0.29 H new ATOM 0 HA ARG A 208 -9.043 -1.183 -8.447 1.00 0.35 H new ATOM 0 HB2 ARG A 208 -6.781 -1.050 -7.096 1.00 0.40 H new ATOM 0 HB3 ARG A 208 -7.816 -0.821 -5.700 1.00 0.40 H new ATOM 0 HG2 ARG A 208 -7.276 -3.152 -5.827 1.00 0.71 H new ATOM 0 HG3 ARG A 208 -8.968 -2.983 -6.251 1.00 0.71 H new ATOM 0 HD2 ARG A 208 -8.517 -3.262 -8.594 1.00 0.48 H new ATOM 0 HD3 ARG A 208 -6.792 -3.048 -8.366 1.00 0.48 H new ATOM 0 HE ARG A 208 -8.213 -5.394 -7.155 1.00 1.25 H new ATOM 0 HH11 ARG A 208 -5.755 -4.045 -9.316 1.00 1.59 H new ATOM 0 HH12 ARG A 208 -4.941 -5.597 -9.543 1.00 1.59 H new ATOM 0 HH21 ARG A 208 -7.145 -7.369 -7.435 1.00 1.97 H new ATOM 0 HH22 ARG A 208 -5.726 -7.470 -8.482 1.00 1.97 H new ATOM 346 N LEU A 209 -10.120 0.652 -5.936 1.00 0.33 N ATOM 347 CA LEU A 209 -11.249 0.895 -5.042 1.00 0.36 C ATOM 348 C LEU A 209 -12.304 1.786 -5.678 1.00 0.39 C ATOM 349 O LEU A 209 -13.471 1.747 -5.293 1.00 0.45 O ATOM 350 CB LEU A 209 -10.771 1.556 -3.744 1.00 0.32 C ATOM 351 CG LEU A 209 -10.121 0.637 -2.703 1.00 0.33 C ATOM 352 CD1 LEU A 209 -8.980 -0.166 -3.301 1.00 0.33 C ATOM 353 CD2 LEU A 209 -9.620 1.463 -1.529 1.00 0.38 C ATOM 0 H LEU A 209 -9.354 1.318 -5.834 1.00 0.33 H new ATOM 0 HA LEU A 209 -11.696 -0.077 -4.832 1.00 0.36 H new ATOM 0 HB2 LEU A 209 -10.056 2.337 -4.003 1.00 0.32 H new ATOM 0 HB3 LEU A 209 -11.625 2.048 -3.278 1.00 0.32 H new ATOM 0 HG LEU A 209 -10.877 -0.068 -2.357 1.00 0.33 H new ATOM 0 HD11 LEU A 209 -8.544 -0.806 -2.534 1.00 0.33 H new ATOM 0 HD12 LEU A 209 -9.358 -0.783 -4.116 1.00 0.33 H new ATOM 0 HD13 LEU A 209 -8.218 0.513 -3.683 1.00 0.33 H new ATOM 0 HD21 LEU A 209 -9.159 0.806 -0.792 1.00 0.38 H new ATOM 0 HD22 LEU A 209 -8.884 2.186 -1.881 1.00 0.38 H new ATOM 0 HD23 LEU A 209 -10.457 1.990 -1.072 1.00 0.38 H new ATOM 365 N LYS A 210 -11.879 2.581 -6.658 1.00 0.35 N ATOM 366 CA LYS A 210 -12.746 3.561 -7.304 1.00 0.40 C ATOM 367 C LYS A 210 -13.366 4.498 -6.269 1.00 0.38 C ATOM 368 O LYS A 210 -14.526 4.894 -6.386 1.00 0.41 O ATOM 369 CB LYS A 210 -13.830 2.859 -8.125 1.00 0.49 C ATOM 370 CG LYS A 210 -13.280 2.067 -9.301 1.00 0.91 C ATOM 371 CD LYS A 210 -12.609 2.976 -10.318 1.00 1.06 C ATOM 372 CE LYS A 210 -12.037 2.187 -11.483 1.00 1.62 C ATOM 373 NZ LYS A 210 -11.449 3.075 -12.522 1.00 2.19 N ATOM 0 H LYS A 210 -10.927 2.563 -7.025 1.00 0.35 H new ATOM 0 HA LYS A 210 -12.141 4.162 -7.983 1.00 0.40 H new ATOM 0 HB2 LYS A 210 -14.390 2.187 -7.474 1.00 0.49 H new ATOM 0 HB3 LYS A 210 -14.534 3.604 -8.496 1.00 0.49 H new ATOM 0 HG2 LYS A 210 -12.563 1.330 -8.941 1.00 0.91 H new ATOM 0 HG3 LYS A 210 -14.089 1.517 -9.781 1.00 0.91 H new ATOM 0 HD2 LYS A 210 -13.332 3.702 -10.690 1.00 1.06 H new ATOM 0 HD3 LYS A 210 -11.812 3.539 -9.833 1.00 1.06 H new ATOM 0 HE2 LYS A 210 -11.272 1.502 -11.116 1.00 1.62 H new ATOM 0 HE3 LYS A 210 -12.823 1.578 -11.929 1.00 1.62 H new ATOM 0 HZ1 LYS A 210 -11.070 2.497 -13.299 1.00 2.19 H new ATOM 0 HZ2 LYS A 210 -12.184 3.712 -12.891 1.00 2.19 H new ATOM 0 HZ3 LYS A 210 -10.681 3.638 -12.103 1.00 2.19 H new ATOM 387 N ASP A 211 -12.571 4.863 -5.269 1.00 0.34 N ATOM 388 CA ASP A 211 -13.040 5.696 -4.170 1.00 0.34 C ATOM 389 C ASP A 211 -11.883 6.528 -3.639 1.00 0.31 C ATOM 390 O ASP A 211 -10.943 5.995 -3.047 1.00 0.31 O ATOM 391 CB ASP A 211 -13.619 4.834 -3.046 1.00 0.37 C ATOM 392 CG ASP A 211 -14.307 5.656 -1.971 1.00 0.40 C ATOM 393 OD1 ASP A 211 -13.631 6.095 -1.019 1.00 1.12 O ATOM 394 OD2 ASP A 211 -15.536 5.857 -2.075 1.00 1.06 O ATOM 0 H ASP A 211 -11.590 4.592 -5.198 1.00 0.34 H new ATOM 0 HA ASP A 211 -13.828 6.354 -4.538 1.00 0.34 H new ATOM 0 HB2 ASP A 211 -14.332 4.126 -3.468 1.00 0.37 H new ATOM 0 HB3 ASP A 211 -12.818 4.249 -2.593 1.00 0.37 H new ATOM 399 N TYR A 212 -11.946 7.832 -3.872 1.00 0.30 N ATOM 400 CA TYR A 212 -10.869 8.741 -3.505 1.00 0.29 C ATOM 401 C TYR A 212 -10.691 8.813 -1.993 1.00 0.30 C ATOM 402 O TYR A 212 -9.566 8.862 -1.496 1.00 0.29 O ATOM 403 CB TYR A 212 -11.161 10.133 -4.070 1.00 0.32 C ATOM 404 CG TYR A 212 -10.116 11.174 -3.738 1.00 0.37 C ATOM 405 CD1 TYR A 212 -8.935 11.253 -4.461 1.00 1.12 C ATOM 406 CD2 TYR A 212 -10.315 12.082 -2.704 1.00 1.35 C ATOM 407 CE1 TYR A 212 -7.981 12.206 -4.165 1.00 1.14 C ATOM 408 CE2 TYR A 212 -9.368 13.038 -2.403 1.00 1.42 C ATOM 409 CZ TYR A 212 -8.202 13.095 -3.135 1.00 0.60 C ATOM 410 OH TYR A 212 -7.255 14.049 -2.842 1.00 0.74 O ATOM 0 H TYR A 212 -12.742 8.288 -4.319 1.00 0.30 H new ATOM 0 HA TYR A 212 -9.939 8.361 -3.929 1.00 0.29 H new ATOM 0 HB2 TYR A 212 -11.252 10.060 -5.154 1.00 0.32 H new ATOM 0 HB3 TYR A 212 -12.126 10.471 -3.691 1.00 0.32 H new ATOM 0 HD1 TYR A 212 -8.759 10.558 -5.269 1.00 1.12 H new ATOM 0 HD2 TYR A 212 -11.227 12.038 -2.127 1.00 1.35 H new ATOM 0 HE1 TYR A 212 -7.066 12.255 -4.737 1.00 1.14 H new ATOM 0 HE2 TYR A 212 -9.539 13.738 -1.598 1.00 1.42 H new ATOM 0 HH TYR A 212 -7.564 14.597 -2.091 1.00 0.74 H new ATOM 420 N ASP A 213 -11.803 8.804 -1.270 1.00 0.34 N ATOM 421 CA ASP A 213 -11.768 8.933 0.182 1.00 0.37 C ATOM 422 C ASP A 213 -11.040 7.762 0.815 1.00 0.32 C ATOM 423 O ASP A 213 -10.120 7.952 1.609 1.00 0.29 O ATOM 424 CB ASP A 213 -13.183 9.027 0.758 1.00 0.49 C ATOM 425 CG ASP A 213 -13.817 10.382 0.533 1.00 1.15 C ATOM 426 OD1 ASP A 213 -13.570 11.298 1.345 1.00 1.63 O ATOM 427 OD2 ASP A 213 -14.569 10.544 -0.453 1.00 2.01 O ATOM 0 H ASP A 213 -12.739 8.709 -1.664 1.00 0.34 H new ATOM 0 HA ASP A 213 -11.229 9.852 0.415 1.00 0.37 H new ATOM 0 HB2 ASP A 213 -13.808 8.258 0.303 1.00 0.49 H new ATOM 0 HB3 ASP A 213 -13.150 8.819 1.827 1.00 0.49 H new ATOM 432 N GLU A 214 -11.428 6.555 0.434 1.00 0.34 N ATOM 433 CA GLU A 214 -10.852 5.352 1.011 1.00 0.34 C ATOM 434 C GLU A 214 -9.407 5.192 0.572 1.00 0.25 C ATOM 435 O GLU A 214 -8.558 4.739 1.339 1.00 0.25 O ATOM 436 CB GLU A 214 -11.654 4.125 0.591 1.00 0.43 C ATOM 437 CG GLU A 214 -11.638 3.017 1.625 1.00 0.56 C ATOM 438 CD GLU A 214 -12.384 3.404 2.883 1.00 0.74 C ATOM 439 OE1 GLU A 214 -13.619 3.571 2.816 1.00 1.24 O ATOM 440 OE2 GLU A 214 -11.747 3.541 3.945 1.00 1.48 O ATOM 0 H GLU A 214 -12.141 6.383 -0.274 1.00 0.34 H new ATOM 0 HA GLU A 214 -10.885 5.445 2.097 1.00 0.34 H new ATOM 0 HB2 GLU A 214 -12.686 4.421 0.401 1.00 0.43 H new ATOM 0 HB3 GLU A 214 -11.255 3.742 -0.348 1.00 0.43 H new ATOM 0 HG2 GLU A 214 -12.086 2.118 1.200 1.00 0.56 H new ATOM 0 HG3 GLU A 214 -10.606 2.771 1.877 1.00 0.56 H new ATOM 447 N ALA A 215 -9.128 5.594 -0.659 1.00 0.20 N ATOM 448 CA ALA A 215 -7.790 5.482 -1.212 1.00 0.17 C ATOM 449 C ALA A 215 -6.835 6.402 -0.467 1.00 0.15 C ATOM 450 O ALA A 215 -5.692 6.044 -0.182 1.00 0.15 O ATOM 451 CB ALA A 215 -7.804 5.825 -2.693 1.00 0.16 C ATOM 0 H ALA A 215 -9.814 6.002 -1.294 1.00 0.20 H new ATOM 0 HA ALA A 215 -7.447 4.454 -1.095 1.00 0.17 H new ATOM 0 HB1 ALA A 215 -6.795 5.737 -3.096 1.00 0.16 H new ATOM 0 HB2 ALA A 215 -8.466 5.138 -3.219 1.00 0.16 H new ATOM 0 HB3 ALA A 215 -8.161 6.846 -2.827 1.00 0.16 H new ATOM 457 N ASN A 216 -7.332 7.584 -0.141 1.00 0.17 N ATOM 458 CA ASN A 216 -6.552 8.578 0.575 1.00 0.18 C ATOM 459 C ASN A 216 -6.327 8.124 2.013 1.00 0.18 C ATOM 460 O ASN A 216 -5.209 8.180 2.529 1.00 0.18 O ATOM 461 CB ASN A 216 -7.279 9.925 0.543 1.00 0.22 C ATOM 462 CG ASN A 216 -6.422 11.080 1.025 1.00 0.33 C ATOM 463 OD1 ASN A 216 -6.929 12.040 1.608 1.00 0.63 O ATOM 464 ND2 ASN A 216 -5.127 11.020 0.756 1.00 0.35 N ATOM 0 H ASN A 216 -8.282 7.880 -0.364 1.00 0.17 H new ATOM 0 HA ASN A 216 -5.581 8.693 0.093 1.00 0.18 H new ATOM 0 HB2 ASN A 216 -7.610 10.127 -0.476 1.00 0.22 H new ATOM 0 HB3 ASN A 216 -8.174 9.862 1.162 1.00 0.22 H new ATOM 0 HD21 ASN A 216 -4.513 11.785 1.033 1.00 0.35 H new ATOM 0 HD22 ASN A 216 -4.744 10.208 0.271 1.00 0.35 H new ATOM 471 N LYS A 217 -7.396 7.643 2.638 1.00 0.19 N ATOM 472 CA LYS A 217 -7.333 7.126 4.001 1.00 0.19 C ATOM 473 C LYS A 217 -6.330 5.988 4.110 1.00 0.17 C ATOM 474 O LYS A 217 -5.585 5.899 5.083 1.00 0.18 O ATOM 475 CB LYS A 217 -8.702 6.622 4.445 1.00 0.22 C ATOM 476 CG LYS A 217 -9.725 7.717 4.694 1.00 0.27 C ATOM 477 CD LYS A 217 -11.129 7.138 4.795 1.00 0.37 C ATOM 478 CE LYS A 217 -11.237 6.107 5.907 1.00 1.17 C ATOM 479 NZ LYS A 217 -12.488 5.314 5.807 1.00 1.99 N ATOM 0 H LYS A 217 -8.325 7.600 2.218 1.00 0.19 H new ATOM 0 HA LYS A 217 -7.015 7.945 4.647 1.00 0.19 H new ATOM 0 HB2 LYS A 217 -9.091 5.945 3.684 1.00 0.22 H new ATOM 0 HB3 LYS A 217 -8.582 6.039 5.358 1.00 0.22 H new ATOM 0 HG2 LYS A 217 -9.479 8.247 5.614 1.00 0.27 H new ATOM 0 HG3 LYS A 217 -9.686 8.447 3.885 1.00 0.27 H new ATOM 0 HD2 LYS A 217 -11.842 7.943 4.975 1.00 0.37 H new ATOM 0 HD3 LYS A 217 -11.401 6.678 3.845 1.00 0.37 H new ATOM 0 HE2 LYS A 217 -10.378 5.437 5.866 1.00 1.17 H new ATOM 0 HE3 LYS A 217 -11.202 6.610 6.873 1.00 1.17 H new ATOM 0 HZ1 LYS A 217 -12.825 5.076 6.762 1.00 1.99 H new ATOM 0 HZ2 LYS A 217 -13.214 5.871 5.312 1.00 1.99 H new ATOM 0 HZ3 LYS A 217 -12.303 4.439 5.277 1.00 1.99 H new ATOM 493 N LEU A 218 -6.313 5.126 3.104 1.00 0.16 N ATOM 494 CA LEU A 218 -5.415 3.985 3.109 1.00 0.15 C ATOM 495 C LEU A 218 -3.983 4.435 2.870 1.00 0.13 C ATOM 496 O LEU A 218 -3.060 3.890 3.455 1.00 0.14 O ATOM 497 CB LEU A 218 -5.835 2.945 2.073 1.00 0.16 C ATOM 498 CG LEU A 218 -7.090 2.145 2.422 1.00 0.17 C ATOM 499 CD1 LEU A 218 -7.413 1.166 1.308 1.00 0.20 C ATOM 500 CD2 LEU A 218 -6.911 1.410 3.744 1.00 0.20 C ATOM 0 H LEU A 218 -6.908 5.196 2.279 1.00 0.16 H new ATOM 0 HA LEU A 218 -5.472 3.516 4.091 1.00 0.15 H new ATOM 0 HB2 LEU A 218 -5.999 3.450 1.121 1.00 0.16 H new ATOM 0 HB3 LEU A 218 -5.009 2.249 1.926 1.00 0.16 H new ATOM 0 HG LEU A 218 -7.924 2.839 2.530 1.00 0.17 H new ATOM 0 HD11 LEU A 218 -8.309 0.602 1.568 1.00 0.20 H new ATOM 0 HD12 LEU A 218 -7.585 1.713 0.381 1.00 0.20 H new ATOM 0 HD13 LEU A 218 -6.578 0.479 1.174 1.00 0.20 H new ATOM 0 HD21 LEU A 218 -7.816 0.847 3.973 1.00 0.20 H new ATOM 0 HD22 LEU A 218 -6.067 0.725 3.668 1.00 0.20 H new ATOM 0 HD23 LEU A 218 -6.722 2.132 4.539 1.00 0.20 H new ATOM 512 N ARG A 219 -3.808 5.430 2.003 1.00 0.13 N ATOM 513 CA ARG A 219 -2.488 6.013 1.769 1.00 0.13 C ATOM 514 C ARG A 219 -1.894 6.513 3.082 1.00 0.12 C ATOM 515 O ARG A 219 -0.714 6.304 3.367 1.00 0.12 O ATOM 516 CB ARG A 219 -2.563 7.173 0.777 1.00 0.13 C ATOM 517 CG ARG A 219 -1.194 7.677 0.344 1.00 0.19 C ATOM 518 CD ARG A 219 -1.283 8.994 -0.409 1.00 0.17 C ATOM 519 NE ARG A 219 -1.438 10.140 0.486 1.00 0.54 N ATOM 520 CZ ARG A 219 -1.792 11.359 0.078 1.00 0.79 C ATOM 521 NH1 ARG A 219 -2.100 11.577 -1.197 1.00 0.61 N ATOM 522 NH2 ARG A 219 -1.855 12.357 0.949 1.00 1.29 N ATOM 0 H ARG A 219 -4.559 5.848 1.453 1.00 0.13 H new ATOM 0 HA ARG A 219 -1.851 5.235 1.348 1.00 0.13 H new ATOM 0 HB2 ARG A 219 -3.122 6.855 -0.103 1.00 0.13 H new ATOM 0 HB3 ARG A 219 -3.120 7.994 1.229 1.00 0.13 H new ATOM 0 HG2 ARG A 219 -0.560 7.804 1.222 1.00 0.19 H new ATOM 0 HG3 ARG A 219 -0.716 6.929 -0.289 1.00 0.19 H new ATOM 0 HD2 ARG A 219 -0.384 9.126 -1.011 1.00 0.17 H new ATOM 0 HD3 ARG A 219 -2.126 8.959 -1.099 1.00 0.17 H new ATOM 0 HE ARG A 219 -1.265 9.998 1.481 1.00 0.54 H new ATOM 0 HH11 ARG A 219 -2.066 10.810 -1.868 1.00 0.61 H new ATOM 0 HH12 ARG A 219 -2.370 12.511 -1.504 1.00 0.61 H new ATOM 0 HH21 ARG A 219 -1.633 12.192 1.931 1.00 1.29 H new ATOM 0 HH22 ARG A 219 -2.126 13.290 0.637 1.00 1.29 H new ATOM 536 N VAL A 220 -2.741 7.136 3.892 1.00 0.13 N ATOM 537 CA VAL A 220 -2.314 7.688 5.169 1.00 0.14 C ATOM 538 C VAL A 220 -2.005 6.562 6.142 1.00 0.14 C ATOM 539 O VAL A 220 -0.944 6.523 6.760 1.00 0.15 O ATOM 540 CB VAL A 220 -3.402 8.597 5.781 1.00 0.16 C ATOM 541 CG1 VAL A 220 -2.965 9.125 7.140 1.00 0.19 C ATOM 542 CG2 VAL A 220 -3.734 9.743 4.843 1.00 0.16 C ATOM 0 H VAL A 220 -3.731 7.271 3.685 1.00 0.13 H new ATOM 0 HA VAL A 220 -1.420 8.286 4.990 1.00 0.14 H new ATOM 0 HB VAL A 220 -4.302 7.999 5.923 1.00 0.16 H new ATOM 0 HG11 VAL A 220 -3.747 9.763 7.551 1.00 0.19 H new ATOM 0 HG12 VAL A 220 -2.787 8.288 7.815 1.00 0.19 H new ATOM 0 HG13 VAL A 220 -2.048 9.703 7.028 1.00 0.19 H new ATOM 0 HG21 VAL A 220 -4.503 10.371 5.294 1.00 0.16 H new ATOM 0 HG22 VAL A 220 -2.838 10.338 4.664 1.00 0.16 H new ATOM 0 HG23 VAL A 220 -4.100 9.344 3.897 1.00 0.16 H new ATOM 552 N LEU A 221 -2.941 5.631 6.231 1.00 0.13 N ATOM 553 CA LEU A 221 -2.849 4.502 7.144 1.00 0.13 C ATOM 554 C LEU A 221 -1.584 3.693 6.880 1.00 0.11 C ATOM 555 O LEU A 221 -0.817 3.390 7.798 1.00 0.12 O ATOM 556 CB LEU A 221 -4.092 3.625 6.979 1.00 0.15 C ATOM 557 CG LEU A 221 -4.140 2.361 7.834 1.00 0.16 C ATOM 558 CD1 LEU A 221 -4.088 2.706 9.316 1.00 0.20 C ATOM 559 CD2 LEU A 221 -5.396 1.568 7.517 1.00 0.26 C ATOM 0 H LEU A 221 -3.792 5.637 5.668 1.00 0.13 H new ATOM 0 HA LEU A 221 -2.797 4.871 8.168 1.00 0.13 H new ATOM 0 HB2 LEU A 221 -4.970 4.228 7.209 1.00 0.15 H new ATOM 0 HB3 LEU A 221 -4.170 3.334 5.931 1.00 0.15 H new ATOM 0 HG LEU A 221 -3.268 1.751 7.599 1.00 0.16 H new ATOM 0 HD11 LEU A 221 -4.124 1.789 9.904 1.00 0.20 H new ATOM 0 HD12 LEU A 221 -3.163 3.241 9.533 1.00 0.20 H new ATOM 0 HD13 LEU A 221 -4.940 3.335 9.573 1.00 0.20 H new ATOM 0 HD21 LEU A 221 -5.423 0.668 8.131 1.00 0.26 H new ATOM 0 HD22 LEU A 221 -6.274 2.178 7.729 1.00 0.26 H new ATOM 0 HD23 LEU A 221 -5.394 1.288 6.463 1.00 0.26 H new ATOM 571 N PHE A 222 -1.363 3.374 5.616 1.00 0.10 N ATOM 572 CA PHE A 222 -0.207 2.596 5.210 1.00 0.10 C ATOM 573 C PHE A 222 1.074 3.380 5.449 1.00 0.10 C ATOM 574 O PHE A 222 2.083 2.815 5.867 1.00 0.11 O ATOM 575 CB PHE A 222 -0.309 2.201 3.733 1.00 0.10 C ATOM 576 CG PHE A 222 -1.485 1.316 3.399 1.00 0.10 C ATOM 577 CD1 PHE A 222 -2.253 0.734 4.398 1.00 1.16 C ATOM 578 CD2 PHE A 222 -1.820 1.066 2.077 1.00 1.23 C ATOM 579 CE1 PHE A 222 -3.327 -0.074 4.086 1.00 1.15 C ATOM 580 CE2 PHE A 222 -2.894 0.257 1.758 1.00 1.25 C ATOM 581 CZ PHE A 222 -3.649 -0.312 2.764 1.00 0.12 C ATOM 0 H PHE A 222 -1.976 3.645 4.847 1.00 0.10 H new ATOM 0 HA PHE A 222 -0.183 1.688 5.813 1.00 0.10 H new ATOM 0 HB2 PHE A 222 -0.371 3.108 3.131 1.00 0.10 H new ATOM 0 HB3 PHE A 222 0.608 1.689 3.443 1.00 0.10 H new ATOM 0 HD1 PHE A 222 -2.007 0.916 5.434 1.00 1.16 H new ATOM 0 HD2 PHE A 222 -1.234 1.510 1.286 1.00 1.23 H new ATOM 0 HE1 PHE A 222 -3.915 -0.520 4.874 1.00 1.15 H new ATOM 0 HE2 PHE A 222 -3.142 0.070 0.724 1.00 1.25 H new ATOM 0 HZ PHE A 222 -4.491 -0.943 2.518 1.00 0.12 H new ATOM 591 N LYS A 223 1.032 4.686 5.198 1.00 0.10 N ATOM 592 CA LYS A 223 2.201 5.525 5.415 1.00 0.11 C ATOM 593 C LYS A 223 2.571 5.565 6.889 1.00 0.12 C ATOM 594 O LYS A 223 3.747 5.560 7.236 1.00 0.14 O ATOM 595 CB LYS A 223 1.983 6.950 4.905 1.00 0.12 C ATOM 596 CG LYS A 223 3.240 7.798 5.014 1.00 0.13 C ATOM 597 CD LYS A 223 3.005 9.239 4.594 1.00 0.20 C ATOM 598 CE LYS A 223 4.298 10.036 4.658 1.00 0.25 C ATOM 599 NZ LYS A 223 4.083 11.483 4.397 1.00 0.36 N ATOM 0 H LYS A 223 0.210 5.179 4.848 1.00 0.10 H new ATOM 0 HA LYS A 223 3.019 5.081 4.848 1.00 0.11 H new ATOM 0 HB2 LYS A 223 1.659 6.916 3.865 1.00 0.12 H new ATOM 0 HB3 LYS A 223 1.180 7.419 5.474 1.00 0.12 H new ATOM 0 HG2 LYS A 223 3.601 7.776 6.042 1.00 0.13 H new ATOM 0 HG3 LYS A 223 4.023 7.364 4.392 1.00 0.13 H new ATOM 0 HD2 LYS A 223 2.605 9.267 3.580 1.00 0.20 H new ATOM 0 HD3 LYS A 223 2.258 9.695 5.244 1.00 0.20 H new ATOM 0 HE2 LYS A 223 4.751 9.910 5.641 1.00 0.25 H new ATOM 0 HE3 LYS A 223 5.004 9.639 3.928 1.00 0.25 H new ATOM 0 HZ1 LYS A 223 4.992 11.984 4.451 1.00 0.36 H new ATOM 0 HZ2 LYS A 223 3.675 11.608 3.449 1.00 0.36 H new ATOM 0 HZ3 LYS A 223 3.431 11.871 5.108 1.00 0.36 H new ATOM 613 N GLU A 224 1.568 5.571 7.755 1.00 0.12 N ATOM 614 CA GLU A 224 1.812 5.637 9.188 1.00 0.13 C ATOM 615 C GLU A 224 2.328 4.296 9.683 1.00 0.13 C ATOM 616 O GLU A 224 3.110 4.226 10.631 1.00 0.15 O ATOM 617 CB GLU A 224 0.539 6.018 9.942 1.00 0.16 C ATOM 618 CG GLU A 224 -0.059 7.343 9.505 1.00 0.24 C ATOM 619 CD GLU A 224 -1.268 7.735 10.326 1.00 1.36 C ATOM 620 OE1 GLU A 224 -2.246 6.958 10.371 1.00 2.28 O ATOM 621 OE2 GLU A 224 -1.242 8.823 10.941 1.00 1.92 O ATOM 0 H GLU A 224 0.583 5.531 7.492 1.00 0.12 H new ATOM 0 HA GLU A 224 2.562 6.406 9.376 1.00 0.13 H new ATOM 0 HB2 GLU A 224 -0.203 5.232 9.803 1.00 0.16 H new ATOM 0 HB3 GLU A 224 0.760 6.064 11.008 1.00 0.16 H new ATOM 0 HG2 GLU A 224 0.698 8.123 9.585 1.00 0.24 H new ATOM 0 HG3 GLU A 224 -0.343 7.280 8.454 1.00 0.24 H new ATOM 628 N ALA A 225 1.892 3.235 9.017 1.00 0.13 N ATOM 629 CA ALA A 225 2.367 1.896 9.320 1.00 0.15 C ATOM 630 C ALA A 225 3.841 1.784 8.966 1.00 0.15 C ATOM 631 O ALA A 225 4.643 1.254 9.734 1.00 0.16 O ATOM 632 CB ALA A 225 1.555 0.860 8.559 1.00 0.15 C ATOM 0 H ALA A 225 1.208 3.278 8.262 1.00 0.13 H new ATOM 0 HA ALA A 225 2.244 1.707 10.386 1.00 0.15 H new ATOM 0 HB1 ALA A 225 1.924 -0.138 8.797 1.00 0.15 H new ATOM 0 HB2 ALA A 225 0.506 0.937 8.846 1.00 0.15 H new ATOM 0 HB3 ALA A 225 1.652 1.037 7.488 1.00 0.15 H new ATOM 638 N TRP A 226 4.187 2.327 7.806 1.00 0.15 N ATOM 639 CA TRP A 226 5.564 2.357 7.343 1.00 0.16 C ATOM 640 C TRP A 226 6.410 3.221 8.272 1.00 0.17 C ATOM 641 O TRP A 226 7.547 2.883 8.594 1.00 0.18 O ATOM 642 CB TRP A 226 5.610 2.890 5.906 1.00 0.16 C ATOM 643 CG TRP A 226 6.990 3.177 5.410 1.00 0.16 C ATOM 644 CD1 TRP A 226 7.938 2.271 5.035 1.00 0.17 C ATOM 645 CD2 TRP A 226 7.575 4.470 5.232 1.00 0.16 C ATOM 646 NE1 TRP A 226 9.078 2.922 4.636 1.00 0.17 N ATOM 647 CE2 TRP A 226 8.880 4.274 4.750 1.00 0.17 C ATOM 648 CE3 TRP A 226 7.117 5.775 5.437 1.00 0.17 C ATOM 649 CZ2 TRP A 226 9.735 5.335 4.469 1.00 0.18 C ATOM 650 CZ3 TRP A 226 7.966 6.828 5.158 1.00 0.18 C ATOM 651 CH2 TRP A 226 9.262 6.603 4.679 1.00 0.19 C ATOM 0 H TRP A 226 3.522 2.757 7.163 1.00 0.15 H new ATOM 0 HA TRP A 226 5.974 1.347 7.354 1.00 0.16 H new ATOM 0 HB2 TRP A 226 5.141 2.162 5.244 1.00 0.16 H new ATOM 0 HB3 TRP A 226 5.017 3.803 5.848 1.00 0.16 H new ATOM 0 HD1 TRP A 226 7.810 1.199 5.050 1.00 0.17 H new ATOM 0 HE1 TRP A 226 9.933 2.473 4.308 1.00 0.17 H new ATOM 0 HE3 TRP A 226 6.118 5.956 5.806 1.00 0.17 H new ATOM 0 HZ2 TRP A 226 10.735 5.165 4.099 1.00 0.18 H new ATOM 0 HZ3 TRP A 226 7.625 7.841 5.312 1.00 0.18 H new ATOM 0 HH2 TRP A 226 9.902 7.447 4.471 1.00 0.19 H new ATOM 662 N ARG A 227 5.838 4.334 8.711 1.00 0.18 N ATOM 663 CA ARG A 227 6.507 5.224 9.646 1.00 0.21 C ATOM 664 C ARG A 227 6.764 4.529 10.975 1.00 0.24 C ATOM 665 O ARG A 227 7.820 4.703 11.581 1.00 0.25 O ATOM 666 CB ARG A 227 5.678 6.487 9.875 1.00 0.24 C ATOM 667 CG ARG A 227 5.628 7.417 8.675 1.00 0.27 C ATOM 668 CD ARG A 227 6.997 7.992 8.358 1.00 0.37 C ATOM 669 NE ARG A 227 7.531 8.788 9.463 1.00 0.98 N ATOM 670 CZ ARG A 227 8.710 9.405 9.432 1.00 1.26 C ATOM 671 NH1 ARG A 227 9.471 9.335 8.345 1.00 0.71 N ATOM 672 NH2 ARG A 227 9.126 10.101 10.483 1.00 2.25 N ATOM 0 H ARG A 227 4.907 4.642 8.432 1.00 0.18 H new ATOM 0 HA ARG A 227 7.466 5.503 9.209 1.00 0.21 H new ATOM 0 HB2 ARG A 227 4.661 6.199 10.141 1.00 0.24 H new ATOM 0 HB3 ARG A 227 6.089 7.030 10.726 1.00 0.24 H new ATOM 0 HG2 ARG A 227 5.251 6.874 7.808 1.00 0.27 H new ATOM 0 HG3 ARG A 227 4.928 8.229 8.872 1.00 0.27 H new ATOM 0 HD2 ARG A 227 7.687 7.179 8.131 1.00 0.37 H new ATOM 0 HD3 ARG A 227 6.931 8.612 7.464 1.00 0.37 H new ATOM 0 HE ARG A 227 6.966 8.875 10.308 1.00 0.98 H new ATOM 0 HH11 ARG A 227 9.152 8.808 7.532 1.00 0.71 H new ATOM 0 HH12 ARG A 227 10.374 9.809 8.323 1.00 0.71 H new ATOM 0 HH21 ARG A 227 8.542 10.164 11.317 1.00 2.25 H new ATOM 0 HH22 ARG A 227 10.030 10.573 10.457 1.00 2.25 H new ATOM 686 N SER A 228 5.802 3.728 11.421 1.00 0.28 N ATOM 687 CA SER A 228 5.921 3.014 12.685 1.00 0.33 C ATOM 688 C SER A 228 6.898 1.844 12.576 1.00 0.35 C ATOM 689 O SER A 228 7.213 1.193 13.571 1.00 0.40 O ATOM 690 CB SER A 228 4.547 2.512 13.129 1.00 0.36 C ATOM 691 OG SER A 228 3.612 3.579 13.190 1.00 1.16 O ATOM 0 H SER A 228 4.928 3.557 10.923 1.00 0.28 H new ATOM 0 HA SER A 228 6.313 3.707 13.430 1.00 0.33 H new ATOM 0 HB2 SER A 228 4.192 1.751 12.434 1.00 0.36 H new ATOM 0 HB3 SER A 228 4.628 2.038 14.107 1.00 0.36 H new ATOM 0 HG SER A 228 3.373 3.857 12.281 1.00 1.16 H new ATOM 697 N SER A 229 7.392 1.596 11.367 1.00 0.34 N ATOM 698 CA SER A 229 8.342 0.519 11.141 1.00 0.37 C ATOM 699 C SER A 229 9.740 0.966 11.566 1.00 0.38 C ATOM 700 O SER A 229 10.666 0.159 11.670 1.00 0.42 O ATOM 701 CB SER A 229 8.337 0.101 9.665 1.00 0.34 C ATOM 702 OG SER A 229 9.163 -1.030 9.440 1.00 0.93 O ATOM 0 H SER A 229 7.149 2.127 10.531 1.00 0.34 H new ATOM 0 HA SER A 229 8.049 -0.343 11.740 1.00 0.37 H new ATOM 0 HB2 SER A 229 7.317 -0.125 9.354 1.00 0.34 H new ATOM 0 HB3 SER A 229 8.682 0.932 9.050 1.00 0.34 H new ATOM 0 HG SER A 229 9.952 -0.979 10.019 1.00 0.93 H new ATOM 708 N PHE A 230 9.879 2.262 11.816 1.00 0.36 N ATOM 709 CA PHE A 230 11.140 2.821 12.265 1.00 0.39 C ATOM 710 C PHE A 230 11.113 3.036 13.772 1.00 0.52 C ATOM 711 O PHE A 230 11.476 2.100 14.512 1.00 1.20 O ATOM 712 CB PHE A 230 11.431 4.140 11.550 1.00 0.32 C ATOM 713 CG PHE A 230 11.502 4.009 10.056 1.00 0.30 C ATOM 714 CD1 PHE A 230 12.599 3.419 9.449 1.00 1.22 C ATOM 715 CD2 PHE A 230 10.472 4.478 9.259 1.00 1.21 C ATOM 716 CE1 PHE A 230 12.665 3.297 8.074 1.00 1.27 C ATOM 717 CE2 PHE A 230 10.533 4.359 7.885 1.00 1.21 C ATOM 718 CZ PHE A 230 11.631 3.768 7.291 1.00 0.47 C ATOM 719 OXT PHE A 230 10.723 4.138 14.213 1.00 1.24 O ATOM 0 H PHE A 230 9.128 2.945 11.714 1.00 0.36 H new ATOM 0 HA PHE A 230 11.934 2.115 12.023 1.00 0.39 H new ATOM 0 HB2 PHE A 230 10.656 4.862 11.807 1.00 0.32 H new ATOM 0 HB3 PHE A 230 12.375 4.542 11.917 1.00 0.32 H new ATOM 0 HD1 PHE A 230 13.412 3.050 10.057 1.00 1.22 H new ATOM 0 HD2 PHE A 230 9.611 4.942 9.717 1.00 1.21 H new ATOM 0 HE1 PHE A 230 13.525 2.834 7.613 1.00 1.27 H new ATOM 0 HE2 PHE A 230 9.722 4.728 7.275 1.00 1.21 H new ATOM 0 HZ PHE A 230 11.680 3.675 6.216 1.00 0.47 H new ATOM 777 N SER B 190 -14.298 -3.796 -0.012 1.00 0.38 N ATOM 778 CA SER B 190 -14.492 -5.220 -0.227 1.00 0.42 C ATOM 779 C SER B 190 -13.414 -5.779 -1.152 1.00 0.37 C ATOM 780 O SER B 190 -13.031 -6.943 -1.045 1.00 0.39 O ATOM 781 CB SER B 190 -15.881 -5.461 -0.804 1.00 0.54 C ATOM 782 OG SER B 190 -16.222 -4.442 -1.726 1.00 1.24 O ATOM 0 HA SER B 190 -14.410 -5.740 0.728 1.00 0.42 H new ATOM 0 HB2 SER B 190 -15.912 -6.432 -1.299 1.00 0.54 H new ATOM 0 HB3 SER B 190 -16.615 -5.491 0.001 1.00 0.54 H new ATOM 0 HG SER B 190 -15.635 -3.669 -1.591 1.00 1.24 H new ATOM 788 N VAL B 191 -12.911 -4.936 -2.051 1.00 0.34 N ATOM 789 CA VAL B 191 -11.821 -5.328 -2.929 1.00 0.29 C ATOM 790 C VAL B 191 -10.503 -5.328 -2.162 1.00 0.24 C ATOM 791 O VAL B 191 -9.613 -6.116 -2.447 1.00 0.24 O ATOM 792 CB VAL B 191 -11.709 -4.405 -4.165 1.00 0.29 C ATOM 793 CG1 VAL B 191 -11.354 -2.982 -3.767 1.00 0.34 C ATOM 794 CG2 VAL B 191 -10.691 -4.955 -5.151 1.00 0.30 C ATOM 0 H VAL B 191 -13.242 -3.981 -2.187 1.00 0.34 H new ATOM 0 HA VAL B 191 -12.038 -6.335 -3.287 1.00 0.29 H new ATOM 0 HB VAL B 191 -12.685 -4.379 -4.650 1.00 0.29 H new ATOM 0 HG11 VAL B 191 -11.284 -2.361 -4.660 1.00 0.34 H new ATOM 0 HG12 VAL B 191 -12.127 -2.585 -3.109 1.00 0.34 H new ATOM 0 HG13 VAL B 191 -10.397 -2.978 -3.246 1.00 0.34 H new ATOM 0 HG21 VAL B 191 -10.626 -4.293 -6.014 1.00 0.30 H new ATOM 0 HG22 VAL B 191 -9.716 -5.020 -4.669 1.00 0.30 H new ATOM 0 HG23 VAL B 191 -11.001 -5.948 -5.478 1.00 0.30 H new ATOM 804 N VAL B 192 -10.402 -4.461 -1.163 1.00 0.23 N ATOM 805 CA VAL B 192 -9.213 -4.387 -0.324 1.00 0.20 C ATOM 806 C VAL B 192 -9.126 -5.627 0.545 1.00 0.19 C ATOM 807 O VAL B 192 -8.053 -6.031 0.981 1.00 0.18 O ATOM 808 CB VAL B 192 -9.234 -3.137 0.581 1.00 0.19 C ATOM 809 CG1 VAL B 192 -7.975 -3.053 1.433 1.00 0.16 C ATOM 810 CG2 VAL B 192 -9.391 -1.884 -0.252 1.00 0.22 C ATOM 0 H VAL B 192 -11.134 -3.796 -0.913 1.00 0.23 H new ATOM 0 HA VAL B 192 -8.345 -4.321 -0.980 1.00 0.20 H new ATOM 0 HB VAL B 192 -10.089 -3.222 1.251 1.00 0.19 H new ATOM 0 HG11 VAL B 192 -8.019 -2.162 2.060 1.00 0.16 H new ATOM 0 HG12 VAL B 192 -7.904 -3.938 2.065 1.00 0.16 H new ATOM 0 HG13 VAL B 192 -7.100 -2.998 0.785 1.00 0.16 H new ATOM 0 HG21 VAL B 192 -9.404 -1.012 0.402 1.00 0.22 H new ATOM 0 HG22 VAL B 192 -8.556 -1.803 -0.948 1.00 0.22 H new ATOM 0 HG23 VAL B 192 -10.326 -1.933 -0.810 1.00 0.22 H new ATOM 820 N ALA B 193 -10.268 -6.250 0.763 1.00 0.20 N ATOM 821 CA ALA B 193 -10.351 -7.428 1.602 1.00 0.21 C ATOM 822 C ALA B 193 -9.994 -8.692 0.828 1.00 0.21 C ATOM 823 O ALA B 193 -10.231 -9.806 1.302 1.00 0.23 O ATOM 824 CB ALA B 193 -11.745 -7.540 2.195 1.00 0.23 C ATOM 0 H ALA B 193 -11.160 -5.955 0.365 1.00 0.20 H new ATOM 0 HA ALA B 193 -9.626 -7.324 2.409 1.00 0.21 H new ATOM 0 HB1 ALA B 193 -11.802 -8.428 2.825 1.00 0.23 H new ATOM 0 HB2 ALA B 193 -11.957 -6.655 2.795 1.00 0.23 H new ATOM 0 HB3 ALA B 193 -12.477 -7.618 1.391 1.00 0.23 H new ATOM 830 N THR B 194 -9.433 -8.531 -0.367 1.00 0.21 N ATOM 831 CA THR B 194 -9.132 -9.673 -1.210 1.00 0.22 C ATOM 832 C THR B 194 -7.633 -9.920 -1.254 1.00 0.21 C ATOM 833 O THR B 194 -6.829 -8.992 -1.137 1.00 0.19 O ATOM 834 CB THR B 194 -9.652 -9.486 -2.652 1.00 0.24 C ATOM 835 OG1 THR B 194 -8.928 -8.443 -3.320 1.00 0.23 O ATOM 836 CG2 THR B 194 -11.135 -9.154 -2.655 1.00 0.25 C ATOM 0 H THR B 194 -9.181 -7.627 -0.767 1.00 0.21 H new ATOM 0 HA THR B 194 -9.641 -10.531 -0.771 1.00 0.22 H new ATOM 0 HB THR B 194 -9.499 -10.425 -3.183 1.00 0.24 H new ATOM 0 HG1 THR B 194 -9.383 -7.587 -3.179 1.00 0.23 H new ATOM 0 HG21 THR B 194 -11.477 -9.027 -3.682 1.00 0.25 H new ATOM 0 HG22 THR B 194 -11.690 -9.966 -2.185 1.00 0.25 H new ATOM 0 HG23 THR B 194 -11.302 -8.231 -2.100 1.00 0.25 H new ATOM 844 N GLU B 195 -7.272 -11.178 -1.431 1.00 0.25 N ATOM 845 CA GLU B 195 -5.876 -11.567 -1.545 1.00 0.26 C ATOM 846 C GLU B 195 -5.278 -10.972 -2.809 1.00 0.20 C ATOM 847 O GLU B 195 -4.105 -10.613 -2.849 1.00 0.19 O ATOM 848 CB GLU B 195 -5.742 -13.086 -1.573 1.00 0.36 C ATOM 849 CG GLU B 195 -6.280 -13.773 -0.331 1.00 0.83 C ATOM 850 CD GLU B 195 -5.944 -15.248 -0.298 1.00 1.69 C ATOM 851 OE1 GLU B 195 -6.693 -16.050 -0.894 1.00 2.24 O ATOM 852 OE2 GLU B 195 -4.919 -15.614 0.316 1.00 2.46 O ATOM 0 H GLU B 195 -7.931 -11.954 -1.499 1.00 0.25 H new ATOM 0 HA GLU B 195 -5.337 -11.188 -0.677 1.00 0.26 H new ATOM 0 HB2 GLU B 195 -6.268 -13.471 -2.446 1.00 0.36 H new ATOM 0 HB3 GLU B 195 -4.690 -13.346 -1.694 1.00 0.36 H new ATOM 0 HG2 GLU B 195 -5.869 -13.289 0.555 1.00 0.83 H new ATOM 0 HG3 GLU B 195 -7.362 -13.648 -0.290 1.00 0.83 H new ATOM 859 N ALA B 196 -6.108 -10.879 -3.838 1.00 0.21 N ATOM 860 CA ALA B 196 -5.711 -10.292 -5.107 1.00 0.22 C ATOM 861 C ALA B 196 -5.325 -8.825 -4.956 1.00 0.17 C ATOM 862 O ALA B 196 -4.417 -8.348 -5.634 1.00 0.17 O ATOM 863 CB ALA B 196 -6.827 -10.441 -6.123 1.00 0.27 C ATOM 0 H ALA B 196 -7.073 -11.208 -3.816 1.00 0.21 H new ATOM 0 HA ALA B 196 -4.830 -10.828 -5.459 1.00 0.22 H new ATOM 0 HB1 ALA B 196 -6.519 -9.998 -7.070 1.00 0.27 H new ATOM 0 HB2 ALA B 196 -7.045 -11.499 -6.271 1.00 0.27 H new ATOM 0 HB3 ALA B 196 -7.721 -9.934 -5.759 1.00 0.27 H new ATOM 869 N PHE B 197 -6.009 -8.111 -4.066 1.00 0.14 N ATOM 870 CA PHE B 197 -5.692 -6.709 -3.825 1.00 0.12 C ATOM 871 C PHE B 197 -4.295 -6.579 -3.257 1.00 0.11 C ATOM 872 O PHE B 197 -3.484 -5.809 -3.753 1.00 0.12 O ATOM 873 CB PHE B 197 -6.696 -6.072 -2.857 1.00 0.10 C ATOM 874 CG PHE B 197 -6.316 -4.681 -2.416 1.00 0.10 C ATOM 875 CD1 PHE B 197 -6.701 -3.575 -3.154 1.00 0.17 C ATOM 876 CD2 PHE B 197 -5.561 -4.484 -1.267 1.00 0.14 C ATOM 877 CE1 PHE B 197 -6.342 -2.303 -2.755 1.00 0.22 C ATOM 878 CE2 PHE B 197 -5.202 -3.214 -0.866 1.00 0.15 C ATOM 879 CZ PHE B 197 -5.593 -2.121 -1.611 1.00 0.17 C ATOM 0 H PHE B 197 -6.779 -8.477 -3.505 1.00 0.14 H new ATOM 0 HA PHE B 197 -5.749 -6.186 -4.780 1.00 0.12 H new ATOM 0 HB2 PHE B 197 -7.675 -6.037 -3.335 1.00 0.10 H new ATOM 0 HB3 PHE B 197 -6.793 -6.708 -1.977 1.00 0.10 H new ATOM 0 HD1 PHE B 197 -7.288 -3.708 -4.051 1.00 0.17 H new ATOM 0 HD2 PHE B 197 -5.251 -5.336 -0.680 1.00 0.14 H new ATOM 0 HE1 PHE B 197 -6.648 -1.448 -3.340 1.00 0.22 H new ATOM 0 HE2 PHE B 197 -4.615 -3.076 0.030 1.00 0.15 H new ATOM 0 HZ PHE B 197 -5.313 -1.125 -1.300 1.00 0.17 H new ATOM 889 N TRP B 198 -4.025 -7.346 -2.215 1.00 0.10 N ATOM 890 CA TRP B 198 -2.738 -7.293 -1.548 1.00 0.11 C ATOM 891 C TRP B 198 -1.633 -7.842 -2.438 1.00 0.12 C ATOM 892 O TRP B 198 -0.486 -7.407 -2.358 1.00 0.13 O ATOM 893 CB TRP B 198 -2.805 -8.034 -0.215 1.00 0.11 C ATOM 894 CG TRP B 198 -3.756 -7.376 0.732 1.00 0.11 C ATOM 895 CD1 TRP B 198 -4.966 -7.847 1.149 1.00 0.12 C ATOM 896 CD2 TRP B 198 -3.587 -6.097 1.350 1.00 0.12 C ATOM 897 NE1 TRP B 198 -5.558 -6.940 1.994 1.00 0.13 N ATOM 898 CE2 TRP B 198 -4.729 -5.858 2.134 1.00 0.13 C ATOM 899 CE3 TRP B 198 -2.576 -5.133 1.317 1.00 0.13 C ATOM 900 CZ2 TRP B 198 -4.890 -4.692 2.878 1.00 0.15 C ATOM 901 CZ3 TRP B 198 -2.737 -3.978 2.055 1.00 0.16 C ATOM 902 CH2 TRP B 198 -3.884 -3.766 2.825 1.00 0.16 C ATOM 0 H TRP B 198 -4.682 -8.014 -1.813 1.00 0.10 H new ATOM 0 HA TRP B 198 -2.496 -6.250 -1.345 1.00 0.11 H new ATOM 0 HB2 TRP B 198 -3.115 -9.065 -0.386 1.00 0.11 H new ATOM 0 HB3 TRP B 198 -1.812 -8.070 0.232 1.00 0.11 H new ATOM 0 HD1 TRP B 198 -5.396 -8.794 0.858 1.00 0.12 H new ATOM 0 HE1 TRP B 198 -6.466 -7.053 2.444 1.00 0.13 H new ATOM 0 HE3 TRP B 198 -1.686 -5.289 0.725 1.00 0.13 H new ATOM 0 HZ2 TRP B 198 -5.775 -4.525 3.474 1.00 0.15 H new ATOM 0 HZ3 TRP B 198 -1.963 -3.225 2.037 1.00 0.16 H new ATOM 0 HH2 TRP B 198 -3.978 -2.851 3.391 1.00 0.16 H new ATOM 913 N ASP B 199 -1.984 -8.778 -3.303 1.00 0.13 N ATOM 914 CA ASP B 199 -1.027 -9.333 -4.247 1.00 0.16 C ATOM 915 C ASP B 199 -0.616 -8.283 -5.272 1.00 0.14 C ATOM 916 O ASP B 199 0.566 -8.135 -5.585 1.00 0.14 O ATOM 917 CB ASP B 199 -1.614 -10.554 -4.958 1.00 0.22 C ATOM 918 CG ASP B 199 -0.643 -11.164 -5.948 1.00 0.31 C ATOM 919 OD1 ASP B 199 0.269 -11.895 -5.514 1.00 0.99 O ATOM 920 OD2 ASP B 199 -0.785 -10.912 -7.163 1.00 1.25 O ATOM 0 H ASP B 199 -2.923 -9.170 -3.372 1.00 0.13 H new ATOM 0 HA ASP B 199 -0.144 -9.645 -3.689 1.00 0.16 H new ATOM 0 HB2 ASP B 199 -1.893 -11.303 -4.218 1.00 0.22 H new ATOM 0 HB3 ASP B 199 -2.527 -10.265 -5.479 1.00 0.22 H new ATOM 925 N ASP B 200 -1.598 -7.541 -5.772 1.00 0.16 N ATOM 926 CA ASP B 200 -1.348 -6.495 -6.761 1.00 0.18 C ATOM 927 C ASP B 200 -0.651 -5.310 -6.097 1.00 0.14 C ATOM 928 O ASP B 200 0.207 -4.656 -6.692 1.00 0.16 O ATOM 929 CB ASP B 200 -2.667 -6.044 -7.389 1.00 0.24 C ATOM 930 CG ASP B 200 -2.505 -5.503 -8.799 1.00 0.55 C ATOM 931 OD1 ASP B 200 -1.738 -4.540 -8.999 1.00 1.37 O ATOM 932 OD2 ASP B 200 -3.165 -6.038 -9.716 1.00 1.12 O ATOM 0 H ASP B 200 -2.578 -7.644 -5.509 1.00 0.16 H new ATOM 0 HA ASP B 200 -0.703 -6.892 -7.545 1.00 0.18 H new ATOM 0 HB2 ASP B 200 -3.360 -6.885 -7.407 1.00 0.24 H new ATOM 0 HB3 ASP B 200 -3.116 -5.275 -6.761 1.00 0.24 H new ATOM 937 N LEU B 201 -1.033 -5.052 -4.851 1.00 0.12 N ATOM 938 CA LEU B 201 -0.410 -4.018 -4.034 1.00 0.11 C ATOM 939 C LEU B 201 1.082 -4.314 -3.896 1.00 0.11 C ATOM 940 O LEU B 201 1.928 -3.445 -4.126 1.00 0.13 O ATOM 941 CB LEU B 201 -1.102 -3.993 -2.654 1.00 0.10 C ATOM 942 CG LEU B 201 -0.914 -2.737 -1.784 1.00 0.10 C ATOM 943 CD1 LEU B 201 0.516 -2.606 -1.283 1.00 0.17 C ATOM 944 CD2 LEU B 201 -1.329 -1.488 -2.544 1.00 0.13 C ATOM 0 H LEU B 201 -1.784 -5.555 -4.379 1.00 0.12 H new ATOM 0 HA LEU B 201 -0.522 -3.040 -4.501 1.00 0.11 H new ATOM 0 HB2 LEU B 201 -2.171 -4.135 -2.812 1.00 0.10 H new ATOM 0 HB3 LEU B 201 -0.747 -4.852 -2.085 1.00 0.10 H new ATOM 0 HG LEU B 201 -1.560 -2.846 -0.913 1.00 0.10 H new ATOM 0 HD11 LEU B 201 0.607 -1.707 -0.673 1.00 0.17 H new ATOM 0 HD12 LEU B 201 0.773 -3.479 -0.683 1.00 0.17 H new ATOM 0 HD13 LEU B 201 1.195 -2.538 -2.133 1.00 0.17 H new ATOM 0 HD21 LEU B 201 -1.188 -0.613 -1.910 1.00 0.13 H new ATOM 0 HD22 LEU B 201 -0.718 -1.388 -3.441 1.00 0.13 H new ATOM 0 HD23 LEU B 201 -2.379 -1.566 -2.826 1.00 0.13 H new ATOM 956 N GLN B 202 1.404 -5.561 -3.569 1.00 0.11 N ATOM 957 CA GLN B 202 2.791 -5.977 -3.492 1.00 0.12 C ATOM 958 C GLN B 202 3.421 -5.969 -4.878 1.00 0.12 C ATOM 959 O GLN B 202 4.616 -5.762 -5.015 1.00 0.13 O ATOM 960 CB GLN B 202 2.932 -7.359 -2.857 1.00 0.15 C ATOM 961 CG GLN B 202 4.368 -7.854 -2.850 1.00 0.21 C ATOM 962 CD GLN B 202 4.559 -9.150 -2.099 1.00 0.25 C ATOM 963 OE1 GLN B 202 3.873 -9.426 -1.120 1.00 0.71 O ATOM 964 NE2 GLN B 202 5.490 -9.962 -2.564 1.00 0.40 N ATOM 0 H GLN B 202 0.726 -6.293 -3.355 1.00 0.11 H new ATOM 0 HA GLN B 202 3.315 -5.264 -2.855 1.00 0.12 H new ATOM 0 HB2 GLN B 202 2.558 -7.325 -1.834 1.00 0.15 H new ATOM 0 HB3 GLN B 202 2.309 -8.070 -3.400 1.00 0.15 H new ATOM 0 HG2 GLN B 202 4.702 -7.988 -3.879 1.00 0.21 H new ATOM 0 HG3 GLN B 202 5.005 -7.089 -2.405 1.00 0.21 H new ATOM 0 HE21 GLN B 202 6.039 -9.694 -3.381 1.00 0.40 H new ATOM 0 HE22 GLN B 202 5.661 -10.857 -2.106 1.00 0.40 H new ATOM 973 N GLY B 203 2.606 -6.190 -5.901 1.00 0.14 N ATOM 974 CA GLY B 203 3.086 -6.094 -7.268 1.00 0.16 C ATOM 975 C GLY B 203 3.614 -4.706 -7.579 1.00 0.15 C ATOM 976 O GLY B 203 4.660 -4.552 -8.213 1.00 0.15 O ATOM 0 H GLY B 203 1.620 -6.434 -5.810 1.00 0.14 H new ATOM 0 HA2 GLY B 203 3.875 -6.829 -7.429 1.00 0.16 H new ATOM 0 HA3 GLY B 203 2.277 -6.339 -7.956 1.00 0.16 H new ATOM 980 N PHE B 204 2.900 -3.691 -7.106 1.00 0.15 N ATOM 981 CA PHE B 204 3.341 -2.312 -7.265 1.00 0.17 C ATOM 982 C PHE B 204 4.601 -2.077 -6.453 1.00 0.17 C ATOM 983 O PHE B 204 5.517 -1.381 -6.891 1.00 0.18 O ATOM 984 CB PHE B 204 2.253 -1.327 -6.827 1.00 0.20 C ATOM 985 CG PHE B 204 2.759 0.085 -6.708 1.00 0.22 C ATOM 986 CD1 PHE B 204 3.102 0.811 -7.836 1.00 1.24 C ATOM 987 CD2 PHE B 204 2.913 0.676 -5.465 1.00 1.19 C ATOM 988 CE1 PHE B 204 3.589 2.100 -7.725 1.00 1.26 C ATOM 989 CE2 PHE B 204 3.396 1.964 -5.348 1.00 1.20 C ATOM 990 CZ PHE B 204 3.735 2.677 -6.479 1.00 0.32 C ATOM 0 H PHE B 204 2.015 -3.797 -6.610 1.00 0.15 H new ATOM 0 HA PHE B 204 3.549 -2.143 -8.322 1.00 0.17 H new ATOM 0 HB2 PHE B 204 1.433 -1.355 -7.545 1.00 0.20 H new ATOM 0 HB3 PHE B 204 1.847 -1.645 -5.867 1.00 0.20 H new ATOM 0 HD1 PHE B 204 2.988 0.365 -8.813 1.00 1.24 H new ATOM 0 HD2 PHE B 204 2.652 0.122 -4.575 1.00 1.19 H new ATOM 0 HE1 PHE B 204 3.855 2.655 -8.612 1.00 1.26 H new ATOM 0 HE2 PHE B 204 3.508 2.413 -4.372 1.00 1.20 H new ATOM 0 HZ PHE B 204 4.114 3.684 -6.390 1.00 0.32 H new ATOM 1000 N LEU B 205 4.648 -2.682 -5.279 1.00 0.16 N ATOM 1001 CA LEU B 205 5.784 -2.525 -4.387 1.00 0.17 C ATOM 1002 C LEU B 205 7.030 -3.162 -4.988 1.00 0.18 C ATOM 1003 O LEU B 205 8.117 -2.615 -4.890 1.00 0.20 O ATOM 1004 CB LEU B 205 5.474 -3.139 -3.023 1.00 0.17 C ATOM 1005 CG LEU B 205 4.834 -2.203 -1.988 1.00 0.17 C ATOM 1006 CD1 LEU B 205 3.807 -1.279 -2.624 1.00 0.18 C ATOM 1007 CD2 LEU B 205 4.178 -3.021 -0.892 1.00 0.15 C ATOM 0 H LEU B 205 3.910 -3.288 -4.920 1.00 0.16 H new ATOM 0 HA LEU B 205 5.975 -1.460 -4.254 1.00 0.17 H new ATOM 0 HB2 LEU B 205 4.809 -3.989 -3.173 1.00 0.17 H new ATOM 0 HB3 LEU B 205 6.401 -3.530 -2.604 1.00 0.17 H new ATOM 0 HG LEU B 205 5.625 -1.583 -1.565 1.00 0.17 H new ATOM 0 HD11 LEU B 205 3.377 -0.632 -1.859 1.00 0.18 H new ATOM 0 HD12 LEU B 205 4.290 -0.668 -3.386 1.00 0.18 H new ATOM 0 HD13 LEU B 205 3.017 -1.874 -3.083 1.00 0.18 H new ATOM 0 HD21 LEU B 205 3.725 -2.352 -0.160 1.00 0.15 H new ATOM 0 HD22 LEU B 205 3.408 -3.659 -1.326 1.00 0.15 H new ATOM 0 HD23 LEU B 205 4.929 -3.641 -0.402 1.00 0.15 H new ATOM 1019 N GLU B 206 6.867 -4.318 -5.615 1.00 0.17 N ATOM 1020 CA GLU B 206 7.968 -4.998 -6.278 1.00 0.20 C ATOM 1021 C GLU B 206 8.484 -4.178 -7.454 1.00 0.22 C ATOM 1022 O GLU B 206 9.691 -4.049 -7.640 1.00 0.25 O ATOM 1023 CB GLU B 206 7.530 -6.390 -6.744 1.00 0.21 C ATOM 1024 CG GLU B 206 7.332 -7.376 -5.602 1.00 0.24 C ATOM 1025 CD GLU B 206 6.788 -8.713 -6.058 1.00 0.30 C ATOM 1026 OE1 GLU B 206 7.371 -9.315 -6.986 1.00 1.12 O ATOM 1027 OE2 GLU B 206 5.770 -9.170 -5.499 1.00 1.14 O ATOM 0 H GLU B 206 5.974 -4.807 -5.678 1.00 0.17 H new ATOM 0 HA GLU B 206 8.782 -5.110 -5.562 1.00 0.20 H new ATOM 0 HB2 GLU B 206 6.598 -6.301 -7.303 1.00 0.21 H new ATOM 0 HB3 GLU B 206 8.277 -6.787 -7.431 1.00 0.21 H new ATOM 0 HG2 GLU B 206 8.285 -7.532 -5.096 1.00 0.24 H new ATOM 0 HG3 GLU B 206 6.649 -6.943 -4.871 1.00 0.24 H new ATOM 1034 N GLN B 207 7.571 -3.630 -8.244 1.00 0.22 N ATOM 1035 CA GLN B 207 7.948 -2.777 -9.367 1.00 0.26 C ATOM 1036 C GLN B 207 8.709 -1.535 -8.908 1.00 0.27 C ATOM 1037 O GLN B 207 9.761 -1.201 -9.452 1.00 0.28 O ATOM 1038 CB GLN B 207 6.705 -2.353 -10.144 1.00 0.35 C ATOM 1039 CG GLN B 207 6.041 -3.490 -10.896 1.00 0.41 C ATOM 1040 CD GLN B 207 4.736 -3.076 -11.539 1.00 0.54 C ATOM 1041 OE1 GLN B 207 4.711 -2.598 -12.674 1.00 0.79 O ATOM 1042 NE2 GLN B 207 3.638 -3.272 -10.828 1.00 1.13 N ATOM 0 H GLN B 207 6.566 -3.759 -8.130 1.00 0.22 H new ATOM 0 HA GLN B 207 8.608 -3.359 -10.011 1.00 0.26 H new ATOM 0 HB2 GLN B 207 5.985 -1.917 -9.451 1.00 0.35 H new ATOM 0 HB3 GLN B 207 6.979 -1.571 -10.852 1.00 0.35 H new ATOM 0 HG2 GLN B 207 6.720 -3.858 -11.665 1.00 0.41 H new ATOM 0 HG3 GLN B 207 5.858 -4.317 -10.210 1.00 0.41 H new ATOM 0 HE21 GLN B 207 3.701 -3.671 -9.891 1.00 1.13 H new ATOM 0 HE22 GLN B 207 2.728 -3.025 -11.217 1.00 1.13 H new ATOM 1051 N ARG B 208 8.176 -0.862 -7.903 1.00 0.29 N ATOM 1052 CA ARG B 208 8.719 0.414 -7.457 1.00 0.35 C ATOM 1053 C ARG B 208 10.009 0.224 -6.651 1.00 0.36 C ATOM 1054 O ARG B 208 10.987 0.952 -6.836 1.00 0.42 O ATOM 1055 CB ARG B 208 7.669 1.135 -6.609 1.00 0.40 C ATOM 1056 CG ARG B 208 7.846 2.642 -6.533 1.00 0.71 C ATOM 1057 CD ARG B 208 7.602 3.304 -7.880 1.00 0.48 C ATOM 1058 NE ARG B 208 7.445 4.753 -7.752 1.00 1.26 N ATOM 1059 CZ ARG B 208 6.480 5.458 -8.347 1.00 1.29 C ATOM 1060 NH1 ARG B 208 5.613 4.861 -9.161 1.00 1.59 N ATOM 1061 NH2 ARG B 208 6.392 6.763 -8.137 1.00 1.98 N ATOM 0 H ARG B 208 7.362 -1.179 -7.376 1.00 0.29 H new ATOM 0 HA ARG B 208 8.965 1.013 -8.334 1.00 0.35 H new ATOM 0 HB2 ARG B 208 6.681 0.918 -7.015 1.00 0.40 H new ATOM 0 HB3 ARG B 208 7.695 0.728 -5.598 1.00 0.40 H new ATOM 0 HG2 ARG B 208 7.157 3.053 -5.795 1.00 0.71 H new ATOM 0 HG3 ARG B 208 8.855 2.873 -6.191 1.00 0.71 H new ATOM 0 HD2 ARG B 208 8.435 3.086 -8.548 1.00 0.48 H new ATOM 0 HD3 ARG B 208 6.708 2.880 -8.337 1.00 0.48 H new ATOM 0 HE ARG B 208 8.115 5.257 -7.171 1.00 1.26 H new ATOM 0 HH11 ARG B 208 5.683 3.858 -9.334 1.00 1.59 H new ATOM 0 HH12 ARG B 208 4.878 5.406 -9.612 1.00 1.59 H new ATOM 0 HH21 ARG B 208 7.061 7.227 -7.522 1.00 1.98 H new ATOM 0 HH22 ARG B 208 5.656 7.304 -8.590 1.00 1.98 H new ATOM 1075 N LEU B 209 9.999 -0.756 -5.758 1.00 0.33 N ATOM 1076 CA LEU B 209 11.114 -0.977 -4.838 1.00 0.36 C ATOM 1077 C LEU B 209 12.175 -1.890 -5.434 1.00 0.39 C ATOM 1078 O LEU B 209 13.342 -1.839 -5.041 1.00 0.45 O ATOM 1079 CB LEU B 209 10.611 -1.601 -3.531 1.00 0.33 C ATOM 1080 CG LEU B 209 9.948 -0.652 -2.526 1.00 0.33 C ATOM 1081 CD1 LEU B 209 8.816 0.137 -3.162 1.00 0.34 C ATOM 1082 CD2 LEU B 209 9.426 -1.441 -1.339 1.00 0.38 C ATOM 0 H LEU B 209 9.229 -1.415 -5.648 1.00 0.33 H new ATOM 0 HA LEU B 209 11.562 -0.002 -4.646 1.00 0.36 H new ATOM 0 HB2 LEU B 209 9.896 -2.385 -3.781 1.00 0.33 H new ATOM 0 HB3 LEU B 209 11.454 -2.084 -3.038 1.00 0.33 H new ATOM 0 HG LEU B 209 10.702 0.060 -2.190 1.00 0.33 H new ATOM 0 HD11 LEU B 209 8.371 0.798 -2.419 1.00 0.34 H new ATOM 0 HD12 LEU B 209 9.206 0.731 -3.989 1.00 0.34 H new ATOM 0 HD13 LEU B 209 8.058 -0.551 -3.536 1.00 0.34 H new ATOM 0 HD21 LEU B 209 8.956 -0.761 -0.628 1.00 0.38 H new ATOM 0 HD22 LEU B 209 8.693 -2.171 -1.682 1.00 0.38 H new ATOM 0 HD23 LEU B 209 10.254 -1.958 -0.853 1.00 0.38 H new ATOM 1094 N LYS B 210 11.758 -2.711 -6.394 1.00 0.36 N ATOM 1095 CA LYS B 210 12.628 -3.710 -7.005 1.00 0.40 C ATOM 1096 C LYS B 210 13.231 -4.623 -5.941 1.00 0.38 C ATOM 1097 O LYS B 210 14.391 -5.036 -6.037 1.00 0.42 O ATOM 1098 CB LYS B 210 13.723 -3.033 -7.831 1.00 0.49 C ATOM 1099 CG LYS B 210 13.190 -2.275 -9.035 1.00 0.90 C ATOM 1100 CD LYS B 210 12.533 -3.213 -10.032 1.00 1.06 C ATOM 1101 CE LYS B 210 11.985 -2.457 -11.227 1.00 1.62 C ATOM 1102 NZ LYS B 210 11.415 -3.374 -12.249 1.00 2.19 N ATOM 0 H LYS B 210 10.810 -2.702 -6.769 1.00 0.36 H new ATOM 0 HA LYS B 210 12.029 -4.326 -7.676 1.00 0.40 H new ATOM 0 HB2 LYS B 210 14.275 -2.344 -7.193 1.00 0.49 H new ATOM 0 HB3 LYS B 210 14.431 -3.789 -8.171 1.00 0.49 H new ATOM 0 HG2 LYS B 210 12.468 -1.527 -8.706 1.00 0.90 H new ATOM 0 HG3 LYS B 210 14.006 -1.739 -9.520 1.00 0.90 H new ATOM 0 HD2 LYS B 210 13.258 -3.953 -10.370 1.00 1.06 H new ATOM 0 HD3 LYS B 210 11.725 -3.758 -9.543 1.00 1.06 H new ATOM 0 HE2 LYS B 210 11.215 -1.761 -10.894 1.00 1.62 H new ATOM 0 HE3 LYS B 210 12.780 -1.862 -11.676 1.00 1.62 H new ATOM 0 HZ1 LYS B 210 11.051 -2.819 -13.049 1.00 2.19 H new ATOM 0 HZ2 LYS B 210 12.156 -4.022 -12.585 1.00 2.19 H new ATOM 0 HZ3 LYS B 210 10.639 -3.924 -11.828 1.00 2.19 H new ATOM 1116 N ASP B 211 12.421 -4.954 -4.938 1.00 0.34 N ATOM 1117 CA ASP B 211 12.870 -5.760 -3.812 1.00 0.34 C ATOM 1118 C ASP B 211 11.704 -6.575 -3.275 1.00 0.31 C ATOM 1119 O ASP B 211 10.759 -6.024 -2.711 1.00 0.31 O ATOM 1120 CB ASP B 211 13.438 -4.875 -2.700 1.00 0.37 C ATOM 1121 CG ASP B 211 14.094 -5.683 -1.596 1.00 0.39 C ATOM 1122 OD1 ASP B 211 13.403 -6.071 -0.635 1.00 1.11 O ATOM 1123 OD2 ASP B 211 15.313 -5.933 -1.685 1.00 1.06 O ATOM 0 H ASP B 211 11.442 -4.672 -4.885 1.00 0.34 H new ATOM 0 HA ASP B 211 13.660 -6.428 -4.155 1.00 0.34 H new ATOM 0 HB2 ASP B 211 14.168 -4.186 -3.125 1.00 0.37 H new ATOM 0 HB3 ASP B 211 12.637 -4.269 -2.276 1.00 0.37 H new ATOM 1128 N TYR B 212 11.768 -7.883 -3.472 1.00 0.30 N ATOM 1129 CA TYR B 212 10.685 -8.780 -3.091 1.00 0.29 C ATOM 1130 C TYR B 212 10.484 -8.807 -1.583 1.00 0.30 C ATOM 1131 O TYR B 212 9.352 -8.843 -1.104 1.00 0.29 O ATOM 1132 CB TYR B 212 10.979 -10.190 -3.612 1.00 0.32 C ATOM 1133 CG TYR B 212 9.922 -11.214 -3.267 1.00 0.37 C ATOM 1134 CD1 TYR B 212 8.753 -11.307 -4.007 1.00 1.12 C ATOM 1135 CD2 TYR B 212 10.100 -12.093 -2.206 1.00 1.35 C ATOM 1136 CE1 TYR B 212 7.788 -12.245 -3.698 1.00 1.15 C ATOM 1137 CE2 TYR B 212 9.141 -13.034 -1.893 1.00 1.41 C ATOM 1138 CZ TYR B 212 7.987 -13.106 -2.641 1.00 0.60 C ATOM 1139 OH TYR B 212 7.027 -14.043 -2.336 1.00 0.74 O ATOM 0 H TYR B 212 12.567 -8.352 -3.898 1.00 0.30 H new ATOM 0 HA TYR B 212 9.763 -8.409 -3.538 1.00 0.29 H new ATOM 0 HB2 TYR B 212 11.088 -10.149 -4.696 1.00 0.32 H new ATOM 0 HB3 TYR B 212 11.935 -10.522 -3.208 1.00 0.32 H new ATOM 0 HD1 TYR B 212 8.595 -10.635 -4.838 1.00 1.12 H new ATOM 0 HD2 TYR B 212 11.004 -12.039 -1.617 1.00 1.35 H new ATOM 0 HE1 TYR B 212 6.881 -12.303 -4.282 1.00 1.15 H new ATOM 0 HE2 TYR B 212 9.294 -13.711 -1.065 1.00 1.41 H new ATOM 0 HH TYR B 212 7.320 -14.573 -1.565 1.00 0.74 H new ATOM 1149 N ASP B 213 11.582 -8.780 -0.842 1.00 0.34 N ATOM 1150 CA ASP B 213 11.520 -8.868 0.613 1.00 0.38 C ATOM 1151 C ASP B 213 10.783 -7.679 1.201 1.00 0.33 C ATOM 1152 O ASP B 213 9.850 -7.843 1.982 1.00 0.30 O ATOM 1153 CB ASP B 213 12.923 -8.950 1.219 1.00 0.49 C ATOM 1154 CG ASP B 213 13.571 -10.303 1.019 1.00 1.14 C ATOM 1155 OD1 ASP B 213 13.322 -11.217 1.834 1.00 1.62 O ATOM 1156 OD2 ASP B 213 14.335 -10.462 0.047 1.00 2.00 O ATOM 0 H ASP B 213 12.525 -8.698 -1.221 1.00 0.34 H new ATOM 0 HA ASP B 213 10.974 -9.779 0.859 1.00 0.38 H new ATOM 0 HB2 ASP B 213 13.553 -8.181 0.771 1.00 0.49 H new ATOM 0 HB3 ASP B 213 12.866 -8.734 2.286 1.00 0.49 H new ATOM 1161 N GLU B 214 11.183 -6.483 0.794 1.00 0.34 N ATOM 1162 CA GLU B 214 10.605 -5.263 1.331 1.00 0.34 C ATOM 1163 C GLU B 214 9.167 -5.109 0.864 1.00 0.26 C ATOM 1164 O GLU B 214 8.310 -4.634 1.606 1.00 0.25 O ATOM 1165 CB GLU B 214 11.420 -4.051 0.890 1.00 0.44 C ATOM 1166 CG GLU B 214 11.395 -2.913 1.892 1.00 0.56 C ATOM 1167 CD GLU B 214 12.116 -3.267 3.176 1.00 0.75 C ATOM 1168 OE1 GLU B 214 13.354 -3.426 3.142 1.00 1.25 O ATOM 1169 OE2 GLU B 214 11.457 -3.382 4.226 1.00 1.48 O ATOM 0 H GLU B 214 11.907 -6.333 0.092 1.00 0.34 H new ATOM 0 HA GLU B 214 10.621 -5.326 2.419 1.00 0.34 H new ATOM 0 HB2 GLU B 214 12.453 -4.357 0.725 1.00 0.44 H new ATOM 0 HB3 GLU B 214 11.037 -3.693 -0.066 1.00 0.44 H new ATOM 0 HG2 GLU B 214 11.857 -2.031 1.449 1.00 0.56 H new ATOM 0 HG3 GLU B 214 10.361 -2.652 2.118 1.00 0.56 H new ATOM 1176 N ALA B 215 8.906 -5.542 -0.361 1.00 0.21 N ATOM 1177 CA ALA B 215 7.576 -5.444 -0.937 1.00 0.17 C ATOM 1178 C ALA B 215 6.608 -6.339 -0.179 1.00 0.16 C ATOM 1179 O ALA B 215 5.462 -5.971 0.080 1.00 0.15 O ATOM 1180 CB ALA B 215 7.611 -5.830 -2.406 1.00 0.16 C ATOM 0 H ALA B 215 9.601 -5.966 -0.976 1.00 0.21 H new ATOM 0 HA ALA B 215 7.234 -4.412 -0.855 1.00 0.17 H new ATOM 0 HB1 ALA B 215 6.608 -5.753 -2.827 1.00 0.16 H new ATOM 0 HB2 ALA B 215 8.282 -5.159 -2.943 1.00 0.16 H new ATOM 0 HB3 ALA B 215 7.968 -6.855 -2.504 1.00 0.16 H new ATOM 1186 N ASN B 216 7.096 -7.512 0.188 1.00 0.17 N ATOM 1187 CA ASN B 216 6.304 -8.484 0.919 1.00 0.19 C ATOM 1188 C ASN B 216 6.059 -7.991 2.341 1.00 0.18 C ATOM 1189 O ASN B 216 4.933 -8.032 2.841 1.00 0.19 O ATOM 1190 CB ASN B 216 7.028 -9.831 0.933 1.00 0.22 C ATOM 1191 CG ASN B 216 6.164 -10.968 1.437 1.00 0.33 C ATOM 1192 OD1 ASN B 216 6.662 -11.907 2.057 1.00 0.63 O ATOM 1193 ND2 ASN B 216 4.873 -10.914 1.153 1.00 0.35 N ATOM 0 H ASN B 216 8.049 -7.816 -0.012 1.00 0.17 H new ATOM 0 HA ASN B 216 5.340 -8.610 0.427 1.00 0.19 H new ATOM 0 HB2 ASN B 216 7.370 -10.063 -0.076 1.00 0.22 H new ATOM 0 HB3 ASN B 216 7.916 -9.752 1.560 1.00 0.22 H new ATOM 0 HD21 ASN B 216 4.253 -11.668 1.450 1.00 0.35 H new ATOM 0 HD22 ASN B 216 4.497 -10.119 0.637 1.00 0.35 H new ATOM 1200 N LYS B 217 7.119 -7.495 2.969 1.00 0.19 N ATOM 1201 CA LYS B 217 7.037 -6.941 4.316 1.00 0.19 C ATOM 1202 C LYS B 217 6.035 -5.799 4.377 1.00 0.17 C ATOM 1203 O LYS B 217 5.271 -5.684 5.334 1.00 0.18 O ATOM 1204 CB LYS B 217 8.400 -6.429 4.766 1.00 0.22 C ATOM 1205 CG LYS B 217 9.413 -7.520 5.059 1.00 0.26 C ATOM 1206 CD LYS B 217 10.816 -6.947 5.161 1.00 0.37 C ATOM 1207 CE LYS B 217 10.916 -5.888 6.246 1.00 1.15 C ATOM 1208 NZ LYS B 217 12.170 -5.103 6.137 1.00 1.97 N ATOM 0 H LYS B 217 8.054 -7.465 2.562 1.00 0.19 H new ATOM 0 HA LYS B 217 6.708 -7.740 4.980 1.00 0.19 H new ATOM 0 HB2 LYS B 217 8.802 -5.774 3.993 1.00 0.22 H new ATOM 0 HB3 LYS B 217 8.269 -5.821 5.661 1.00 0.22 H new ATOM 0 HG2 LYS B 217 9.153 -8.022 5.991 1.00 0.26 H new ATOM 0 HG3 LYS B 217 9.380 -8.273 4.271 1.00 0.26 H new ATOM 0 HD2 LYS B 217 11.522 -7.750 5.371 1.00 0.37 H new ATOM 0 HD3 LYS B 217 11.102 -6.514 4.203 1.00 0.37 H new ATOM 0 HE2 LYS B 217 10.060 -5.217 6.178 1.00 1.15 H new ATOM 0 HE3 LYS B 217 10.870 -6.365 7.225 1.00 1.15 H new ATOM 0 HZ1 LYS B 217 12.563 -4.942 7.087 1.00 1.97 H new ATOM 0 HZ2 LYS B 217 12.859 -5.628 5.562 1.00 1.97 H new ATOM 0 HZ3 LYS B 217 11.968 -4.188 5.686 1.00 1.97 H new ATOM 1222 N LEU B 218 6.036 -4.965 3.347 1.00 0.15 N ATOM 1223 CA LEU B 218 5.144 -3.823 3.305 1.00 0.15 C ATOM 1224 C LEU B 218 3.714 -4.273 3.058 1.00 0.13 C ATOM 1225 O LEU B 218 2.785 -3.710 3.614 1.00 0.13 O ATOM 1226 CB LEU B 218 5.583 -2.814 2.249 1.00 0.15 C ATOM 1227 CG LEU B 218 6.836 -2.008 2.593 1.00 0.17 C ATOM 1228 CD1 LEU B 218 7.181 -1.064 1.457 1.00 0.20 C ATOM 1229 CD2 LEU B 218 6.639 -1.233 3.889 1.00 0.19 C ATOM 0 H LEU B 218 6.644 -5.060 2.533 1.00 0.15 H new ATOM 0 HA LEU B 218 5.189 -3.327 4.275 1.00 0.15 H new ATOM 0 HB2 LEU B 218 5.759 -3.346 1.314 1.00 0.15 H new ATOM 0 HB3 LEU B 218 4.762 -2.119 2.071 1.00 0.15 H new ATOM 0 HG LEU B 218 7.665 -2.702 2.734 1.00 0.17 H new ATOM 0 HD11 LEU B 218 8.075 -0.496 1.715 1.00 0.20 H new ATOM 0 HD12 LEU B 218 7.365 -1.639 0.549 1.00 0.20 H new ATOM 0 HD13 LEU B 218 6.351 -0.378 1.289 1.00 0.20 H new ATOM 0 HD21 LEU B 218 7.542 -0.667 4.115 1.00 0.19 H new ATOM 0 HD22 LEU B 218 5.799 -0.547 3.779 1.00 0.19 H new ATOM 0 HD23 LEU B 218 6.435 -1.930 4.702 1.00 0.19 H new ATOM 1241 N ARG B 219 3.547 -5.291 2.218 1.00 0.13 N ATOM 1242 CA ARG B 219 2.229 -5.877 1.982 1.00 0.13 C ATOM 1243 C ARG B 219 1.615 -6.340 3.298 1.00 0.13 C ATOM 1244 O ARG B 219 0.432 -6.119 3.561 1.00 0.12 O ATOM 1245 CB ARG B 219 2.316 -7.063 1.021 1.00 0.13 C ATOM 1246 CG ARG B 219 0.952 -7.576 0.581 1.00 0.19 C ATOM 1247 CD ARG B 219 1.050 -8.912 -0.137 1.00 0.17 C ATOM 1248 NE ARG B 219 1.190 -10.034 0.791 1.00 0.54 N ATOM 1249 CZ ARG B 219 1.540 -11.265 0.420 1.00 0.79 C ATOM 1250 NH1 ARG B 219 1.865 -11.520 -0.842 1.00 0.61 N ATOM 1251 NH2 ARG B 219 1.582 -12.241 1.318 1.00 1.29 N ATOM 0 H ARG B 219 4.304 -5.726 1.691 1.00 0.13 H new ATOM 0 HA ARG B 219 1.600 -5.109 1.533 1.00 0.13 H new ATOM 0 HB2 ARG B 219 2.888 -6.769 0.141 1.00 0.13 H new ATOM 0 HB3 ARG B 219 2.865 -7.873 1.502 1.00 0.13 H new ATOM 0 HG2 ARG B 219 0.305 -7.679 1.452 1.00 0.19 H new ATOM 0 HG3 ARG B 219 0.485 -6.844 -0.078 1.00 0.19 H new ATOM 0 HD2 ARG B 219 0.160 -9.059 -0.749 1.00 0.17 H new ATOM 0 HD3 ARG B 219 1.904 -8.896 -0.815 1.00 0.17 H new ATOM 0 HE ARG B 219 1.009 -9.864 1.780 1.00 0.54 H new ATOM 0 HH11 ARG B 219 1.848 -10.771 -1.534 1.00 0.61 H new ATOM 0 HH12 ARG B 219 2.132 -12.465 -1.119 1.00 0.61 H new ATOM 0 HH21 ARG B 219 1.346 -12.049 2.292 1.00 1.29 H new ATOM 0 HH22 ARG B 219 1.850 -13.184 1.035 1.00 1.29 H new ATOM 1265 N VAL B 220 2.448 -6.941 4.138 1.00 0.13 N ATOM 1266 CA VAL B 220 2.001 -7.457 5.425 1.00 0.14 C ATOM 1267 C VAL B 220 1.680 -6.304 6.360 1.00 0.14 C ATOM 1268 O VAL B 220 0.611 -6.245 6.957 1.00 0.16 O ATOM 1269 CB VAL B 220 3.075 -8.352 6.079 1.00 0.16 C ATOM 1270 CG1 VAL B 220 2.612 -8.844 7.441 1.00 0.19 C ATOM 1271 CG2 VAL B 220 3.418 -9.524 5.176 1.00 0.16 C ATOM 0 H VAL B 220 3.440 -7.083 3.950 1.00 0.13 H new ATOM 0 HA VAL B 220 1.109 -8.058 5.249 1.00 0.14 H new ATOM 0 HB VAL B 220 3.975 -7.753 6.221 1.00 0.16 H new ATOM 0 HG11 VAL B 220 3.385 -9.473 7.883 1.00 0.19 H new ATOM 0 HG12 VAL B 220 2.423 -7.990 8.091 1.00 0.19 H new ATOM 0 HG13 VAL B 220 1.695 -9.423 7.327 1.00 0.19 H new ATOM 0 HG21 VAL B 220 4.177 -10.143 5.655 1.00 0.16 H new ATOM 0 HG22 VAL B 220 2.523 -10.120 4.998 1.00 0.16 H new ATOM 0 HG23 VAL B 220 3.801 -9.151 4.226 1.00 0.16 H new ATOM 1281 N LEU B 221 2.617 -5.372 6.436 1.00 0.12 N ATOM 1282 CA LEU B 221 2.514 -4.219 7.318 1.00 0.13 C ATOM 1283 C LEU B 221 1.256 -3.412 7.010 1.00 0.11 C ATOM 1284 O LEU B 221 0.475 -3.079 7.905 1.00 0.12 O ATOM 1285 CB LEU B 221 3.764 -3.350 7.147 1.00 0.15 C ATOM 1286 CG LEU B 221 3.802 -2.061 7.966 1.00 0.16 C ATOM 1287 CD1 LEU B 221 3.727 -2.364 9.455 1.00 0.20 C ATOM 1288 CD2 LEU B 221 5.065 -1.281 7.645 1.00 0.25 C ATOM 0 H LEU B 221 3.475 -5.394 5.885 1.00 0.12 H new ATOM 0 HA LEU B 221 2.444 -4.560 8.351 1.00 0.13 H new ATOM 0 HB2 LEU B 221 4.637 -3.949 7.408 1.00 0.15 H new ATOM 0 HB3 LEU B 221 3.860 -3.090 6.093 1.00 0.15 H new ATOM 0 HG LEU B 221 2.935 -1.455 7.701 1.00 0.16 H new ATOM 0 HD11 LEU B 221 3.756 -1.431 10.018 1.00 0.20 H new ATOM 0 HD12 LEU B 221 2.798 -2.891 9.673 1.00 0.20 H new ATOM 0 HD13 LEU B 221 4.574 -2.987 9.743 1.00 0.20 H new ATOM 0 HD21 LEU B 221 5.085 -0.363 8.233 1.00 0.25 H new ATOM 0 HD22 LEU B 221 5.938 -1.887 7.888 1.00 0.25 H new ATOM 0 HD23 LEU B 221 5.079 -1.033 6.584 1.00 0.25 H new ATOM 1300 N PHE B 222 1.057 -3.128 5.735 1.00 0.10 N ATOM 1301 CA PHE B 222 -0.090 -2.357 5.289 1.00 0.10 C ATOM 1302 C PHE B 222 -1.379 -3.129 5.530 1.00 0.10 C ATOM 1303 O PHE B 222 -2.392 -2.548 5.914 1.00 0.11 O ATOM 1304 CB PHE B 222 0.036 -2.005 3.804 1.00 0.10 C ATOM 1305 CG PHE B 222 1.219 -1.133 3.464 1.00 0.10 C ATOM 1306 CD1 PHE B 222 1.976 -0.528 4.458 1.00 1.16 C ATOM 1307 CD2 PHE B 222 1.574 -0.921 2.141 1.00 1.23 C ATOM 1308 CE1 PHE B 222 3.057 0.268 4.139 1.00 1.16 C ATOM 1309 CE2 PHE B 222 2.655 -0.125 1.815 1.00 1.24 C ATOM 1310 CZ PHE B 222 3.398 0.470 2.816 1.00 0.12 C ATOM 0 H PHE B 222 1.681 -3.423 4.984 1.00 0.10 H new ATOM 0 HA PHE B 222 -0.119 -1.432 5.866 1.00 0.10 H new ATOM 0 HB2 PHE B 222 0.105 -2.929 3.230 1.00 0.10 H new ATOM 0 HB3 PHE B 222 -0.875 -1.499 3.485 1.00 0.10 H new ATOM 0 HD1 PHE B 222 1.715 -0.682 5.495 1.00 1.16 H new ATOM 0 HD2 PHE B 222 0.998 -1.385 1.354 1.00 1.23 H new ATOM 0 HE1 PHE B 222 3.636 0.733 4.923 1.00 1.16 H new ATOM 0 HE2 PHE B 222 2.919 0.032 0.779 1.00 1.24 H new ATOM 0 HZ PHE B 222 4.244 1.092 2.564 1.00 0.12 H new ATOM 1320 N LYS B 223 -1.337 -4.443 5.318 1.00 0.10 N ATOM 1321 CA LYS B 223 -2.511 -5.272 5.541 1.00 0.11 C ATOM 1322 C LYS B 223 -2.901 -5.271 7.011 1.00 0.12 C ATOM 1323 O LYS B 223 -4.084 -5.258 7.341 1.00 0.14 O ATOM 1324 CB LYS B 223 -2.289 -6.711 5.075 1.00 0.12 C ATOM 1325 CG LYS B 223 -3.551 -7.552 5.189 1.00 0.13 C ATOM 1326 CD LYS B 223 -3.314 -9.004 4.813 1.00 0.20 C ATOM 1327 CE LYS B 223 -4.609 -9.795 4.877 1.00 0.24 C ATOM 1328 NZ LYS B 223 -4.389 -11.249 4.661 1.00 0.35 N ATOM 0 H LYS B 223 -0.511 -4.948 4.996 1.00 0.10 H new ATOM 0 HA LYS B 223 -3.320 -4.841 4.950 1.00 0.11 H new ATOM 0 HB2 LYS B 223 -1.949 -6.708 4.039 1.00 0.12 H new ATOM 0 HB3 LYS B 223 -1.496 -7.166 5.669 1.00 0.12 H new ATOM 0 HG2 LYS B 223 -3.928 -7.501 6.211 1.00 0.13 H new ATOM 0 HG3 LYS B 223 -4.323 -7.133 4.543 1.00 0.13 H new ATOM 0 HD2 LYS B 223 -2.897 -9.061 3.807 1.00 0.20 H new ATOM 0 HD3 LYS B 223 -2.580 -9.444 5.488 1.00 0.20 H new ATOM 0 HE2 LYS B 223 -5.080 -9.641 5.848 1.00 0.24 H new ATOM 0 HE3 LYS B 223 -5.301 -9.418 4.124 1.00 0.24 H new ATOM 0 HZ1 LYS B 223 -5.299 -11.749 4.713 1.00 0.35 H new ATOM 0 HZ2 LYS B 223 -3.964 -11.400 3.724 1.00 0.35 H new ATOM 0 HZ3 LYS B 223 -3.750 -11.616 5.395 1.00 0.35 H new ATOM 1342 N GLU B 224 -1.911 -5.253 7.894 1.00 0.12 N ATOM 1343 CA GLU B 224 -2.175 -5.279 9.326 1.00 0.14 C ATOM 1344 C GLU B 224 -2.693 -3.922 9.774 1.00 0.14 C ATOM 1345 O GLU B 224 -3.494 -3.823 10.707 1.00 0.16 O ATOM 1346 CB GLU B 224 -0.913 -5.645 10.110 1.00 0.17 C ATOM 1347 CG GLU B 224 -0.319 -6.986 9.715 1.00 0.24 C ATOM 1348 CD GLU B 224 0.884 -7.362 10.551 1.00 1.36 C ATOM 1349 OE1 GLU B 224 1.847 -6.570 10.611 1.00 2.27 O ATOM 1350 OE2 GLU B 224 0.881 -8.462 11.143 1.00 1.92 O ATOM 0 H GLU B 224 -0.922 -5.221 7.645 1.00 0.12 H new ATOM 0 HA GLU B 224 -2.929 -6.040 9.526 1.00 0.14 H new ATOM 0 HB2 GLU B 224 -0.164 -4.867 9.960 1.00 0.17 H new ATOM 0 HB3 GLU B 224 -1.148 -5.661 11.174 1.00 0.17 H new ATOM 0 HG2 GLU B 224 -1.081 -7.759 9.814 1.00 0.24 H new ATOM 0 HG3 GLU B 224 -0.031 -6.955 8.664 1.00 0.24 H new ATOM 1357 N ALA B 225 -2.246 -2.883 9.086 1.00 0.14 N ATOM 1358 CA ALA B 225 -2.720 -1.535 9.340 1.00 0.15 C ATOM 1359 C ALA B 225 -4.188 -1.429 8.961 1.00 0.15 C ATOM 1360 O ALA B 225 -5.001 -0.877 9.703 1.00 0.16 O ATOM 1361 CB ALA B 225 -1.895 -0.524 8.562 1.00 0.15 C ATOM 0 H ALA B 225 -1.551 -2.951 8.343 1.00 0.14 H new ATOM 0 HA ALA B 225 -2.611 -1.315 10.402 1.00 0.15 H new ATOM 0 HB1 ALA B 225 -2.265 0.481 8.765 1.00 0.15 H new ATOM 0 HB2 ALA B 225 -0.851 -0.595 8.867 1.00 0.15 H new ATOM 0 HB3 ALA B 225 -1.976 -0.732 7.495 1.00 0.15 H new ATOM 1367 N TRP B 226 -4.520 -2.002 7.812 1.00 0.15 N ATOM 1368 CA TRP B 226 -5.890 -2.042 7.329 1.00 0.16 C ATOM 1369 C TRP B 226 -6.753 -2.878 8.269 1.00 0.17 C ATOM 1370 O TRP B 226 -7.895 -2.528 8.560 1.00 0.19 O ATOM 1371 CB TRP B 226 -5.917 -2.616 5.908 1.00 0.16 C ATOM 1372 CG TRP B 226 -7.291 -2.913 5.401 1.00 0.15 C ATOM 1373 CD1 TRP B 226 -8.227 -2.014 4.987 1.00 0.16 C ATOM 1374 CD2 TRP B 226 -7.879 -4.207 5.250 1.00 0.15 C ATOM 1375 NE1 TRP B 226 -9.367 -2.669 4.590 1.00 0.17 N ATOM 1376 CE2 TRP B 226 -9.177 -4.020 4.743 1.00 0.16 C ATOM 1377 CE3 TRP B 226 -7.430 -5.507 5.498 1.00 0.16 C ATOM 1378 CZ2 TRP B 226 -10.030 -5.087 4.479 1.00 0.17 C ATOM 1379 CZ3 TRP B 226 -8.277 -6.564 5.236 1.00 0.18 C ATOM 1380 CH2 TRP B 226 -9.564 -6.350 4.732 1.00 0.18 C ATOM 0 H TRP B 226 -3.847 -2.451 7.191 1.00 0.15 H new ATOM 0 HA TRP B 226 -6.296 -1.031 7.305 1.00 0.16 H new ATOM 0 HB2 TRP B 226 -5.436 -1.909 5.232 1.00 0.16 H new ATOM 0 HB3 TRP B 226 -5.326 -3.532 5.885 1.00 0.16 H new ATOM 0 HD1 TRP B 226 -8.092 -0.943 4.973 1.00 0.16 H new ATOM 0 HE1 TRP B 226 -10.215 -2.225 4.239 1.00 0.17 H new ATOM 0 HE3 TRP B 226 -6.438 -5.681 5.888 1.00 0.16 H new ATOM 0 HZ2 TRP B 226 -11.024 -4.925 4.089 1.00 0.17 H new ATOM 0 HZ3 TRP B 226 -7.941 -7.573 5.423 1.00 0.18 H new ATOM 0 HH2 TRP B 226 -10.204 -7.198 4.538 1.00 0.18 H new ATOM 1391 N ARG B 227 -6.190 -3.977 8.751 1.00 0.18 N ATOM 1392 CA ARG B 227 -6.878 -4.837 9.699 1.00 0.21 C ATOM 1393 C ARG B 227 -7.150 -4.102 11.004 1.00 0.24 C ATOM 1394 O ARG B 227 -8.219 -4.251 11.597 1.00 0.25 O ATOM 1395 CB ARG B 227 -6.057 -6.097 9.977 1.00 0.24 C ATOM 1396 CG ARG B 227 -5.994 -7.060 8.804 1.00 0.27 C ATOM 1397 CD ARG B 227 -7.358 -7.642 8.483 1.00 0.38 C ATOM 1398 NE ARG B 227 -7.910 -8.408 9.599 1.00 0.98 N ATOM 1399 CZ ARG B 227 -9.092 -9.021 9.570 1.00 1.26 C ATOM 1400 NH1 ARG B 227 -9.840 -8.981 8.473 1.00 0.71 N ATOM 1401 NH2 ARG B 227 -9.521 -9.681 10.636 1.00 2.25 N ATOM 0 H ARG B 227 -5.254 -4.294 8.499 1.00 0.18 H new ATOM 0 HA ARG B 227 -7.831 -5.125 9.256 1.00 0.21 H new ATOM 0 HB2 ARG B 227 -5.043 -5.805 10.250 1.00 0.24 H new ATOM 0 HB3 ARG B 227 -6.483 -6.614 10.837 1.00 0.24 H new ATOM 0 HG2 ARG B 227 -5.604 -6.542 7.928 1.00 0.27 H new ATOM 0 HG3 ARG B 227 -5.298 -7.867 9.033 1.00 0.27 H new ATOM 0 HD2 ARG B 227 -8.043 -6.835 8.225 1.00 0.38 H new ATOM 0 HD3 ARG B 227 -7.279 -8.286 7.607 1.00 0.38 H new ATOM 0 HE ARG B 227 -7.356 -8.477 10.452 1.00 0.98 H new ATOM 0 HH11 ARG B 227 -9.510 -8.479 7.649 1.00 0.71 H new ATOM 0 HH12 ARG B 227 -10.745 -9.452 8.455 1.00 0.71 H new ATOM 0 HH21 ARG B 227 -8.946 -9.719 11.478 1.00 2.25 H new ATOM 0 HH22 ARG B 227 -10.426 -10.151 10.615 1.00 2.25 H new ATOM 1415 N SER B 228 -6.193 -3.294 11.440 1.00 0.28 N ATOM 1416 CA SER B 228 -6.330 -2.545 12.682 1.00 0.33 C ATOM 1417 C SER B 228 -7.301 -1.374 12.522 1.00 0.36 C ATOM 1418 O SER B 228 -7.621 -0.688 13.490 1.00 0.40 O ATOM 1419 CB SER B 228 -4.961 -2.034 13.131 1.00 0.36 C ATOM 1420 OG SER B 228 -4.029 -3.102 13.236 1.00 1.18 O ATOM 0 H SER B 228 -5.311 -3.140 10.951 1.00 0.28 H new ATOM 0 HA SER B 228 -6.736 -3.215 13.440 1.00 0.33 H new ATOM 0 HB2 SER B 228 -4.594 -1.294 12.420 1.00 0.36 H new ATOM 0 HB3 SER B 228 -5.054 -1.532 14.094 1.00 0.36 H new ATOM 0 HG SER B 228 -3.790 -3.417 12.339 1.00 1.18 H new ATOM 1426 N SER B 229 -7.780 -1.163 11.303 1.00 0.34 N ATOM 1427 CA SER B 229 -8.723 -0.088 11.033 1.00 0.37 C ATOM 1428 C SER B 229 -10.129 -0.516 11.452 1.00 0.38 C ATOM 1429 O SER B 229 -11.050 0.301 11.526 1.00 0.42 O ATOM 1430 CB SER B 229 -8.689 0.288 9.547 1.00 0.34 C ATOM 1431 OG SER B 229 -9.498 1.423 9.280 1.00 0.93 O ATOM 0 H SER B 229 -7.531 -1.722 10.487 1.00 0.34 H new ATOM 0 HA SER B 229 -8.439 0.791 11.612 1.00 0.37 H new ATOM 0 HB2 SER B 229 -7.662 0.493 9.246 1.00 0.34 H new ATOM 0 HB3 SER B 229 -9.034 -0.555 8.949 1.00 0.34 H new ATOM 0 HG SER B 229 -10.209 1.483 9.952 1.00 0.93 H new ATOM 1437 N PHE B 230 -10.277 -1.803 11.732 1.00 0.36 N ATOM 1438 CA PHE B 230 -11.546 -2.347 12.181 1.00 0.38 C ATOM 1439 C PHE B 230 -11.537 -2.518 13.694 1.00 0.51 C ATOM 1440 O PHE B 230 -11.913 -1.563 14.403 1.00 1.21 O ATOM 1441 CB PHE B 230 -11.829 -3.686 11.499 1.00 0.31 C ATOM 1442 CG PHE B 230 -11.874 -3.599 10.000 1.00 0.30 C ATOM 1443 CD1 PHE B 230 -12.958 -3.023 9.360 1.00 1.21 C ATOM 1444 CD2 PHE B 230 -10.833 -4.093 9.234 1.00 1.21 C ATOM 1445 CE1 PHE B 230 -13.003 -2.943 7.982 1.00 1.27 C ATOM 1446 CE2 PHE B 230 -10.872 -4.015 7.857 1.00 1.22 C ATOM 1447 CZ PHE B 230 -11.959 -3.439 7.229 1.00 0.47 C ATOM 1448 OXT PHE B 230 -11.137 -3.602 14.170 1.00 1.23 O ATOM 0 H PHE B 230 -9.528 -2.491 11.655 1.00 0.36 H new ATOM 0 HA PHE B 230 -12.337 -1.648 11.909 1.00 0.38 H new ATOM 0 HB2 PHE B 230 -11.061 -4.402 11.790 1.00 0.31 H new ATOM 0 HB3 PHE B 230 -12.781 -4.075 11.861 1.00 0.31 H new ATOM 0 HD1 PHE B 230 -13.777 -2.632 9.945 1.00 1.21 H new ATOM 0 HD2 PHE B 230 -9.980 -4.545 9.719 1.00 1.21 H new ATOM 0 HE1 PHE B 230 -13.855 -2.492 7.494 1.00 1.27 H new ATOM 0 HE2 PHE B 230 -10.053 -4.404 7.270 1.00 1.22 H new ATOM 0 HZ PHE B 230 -11.992 -3.377 6.151 1.00 0.47 H new