USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 194 THR OG1 : rot -98:sc= 1.44 USER MOD Single : A 202 GLN : amide:sc= 0.176 K(o=0.18,f=-4.1!) USER MOD Single : A 207 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 210 LYS NZ :NH3+ 166:sc= -0.0374 (180deg=-0.263) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 216 ASN :FLIP amide:sc= -0.0085 F(o=-0.93,f=-0.0085) USER MOD Single : A 217 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0391) USER MOD Single : A 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 228 SER OG : rot 71:sc= 1.14 USER MOD Single : A 229 SER OG : rot 180:sc= 0 USER MOD Single : B 187 SER OG : rot 180:sc= 0 USER MOD Single : B 190 SER OG : rot 180:sc= 0 USER MOD Single : B 194 THR OG1 : rot -98:sc= 1.45 USER MOD Single : B 202 GLN : amide:sc= 0.258 K(o=0.26,f=-4.1!) USER MOD Single : B 207 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 210 LYS NZ :NH3+ 166:sc= -0.0346 (180deg=-0.235) USER MOD Single : B 212 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 ASN :FLIP amide:sc= -0.006 F(o=-0.92,f=-0.006) USER MOD Single : B 217 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0298) USER MOD Single : B 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 228 SER OG : rot 70:sc= 1.19 USER MOD Single : B 229 SER OG : rot -35:sc= 0.029 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 186 16.374 3.026 -6.767 1.00 1.67 N ATOM 2 CA PRO A 186 16.370 2.709 -5.324 1.00 1.36 C ATOM 3 C PRO A 186 16.085 1.232 -5.117 1.00 1.40 C ATOM 4 O PRO A 186 15.609 0.557 -6.028 1.00 1.91 O ATOM 5 CB PRO A 186 15.314 3.557 -4.632 1.00 1.30 C ATOM 6 CG PRO A 186 14.595 4.209 -5.758 1.00 1.46 C ATOM 7 CD PRO A 186 15.566 4.250 -6.915 1.00 1.80 C ATOM 0 HA PRO A 186 17.347 2.932 -4.896 1.00 1.36 H new ATOM 0 HB2 PRO A 186 14.643 2.947 -4.028 1.00 1.30 H new ATOM 0 HB3 PRO A 186 15.764 4.292 -3.965 1.00 1.30 H new ATOM 0 HG2 PRO A 186 13.698 3.649 -6.023 1.00 1.46 H new ATOM 0 HG3 PRO A 186 14.274 5.214 -5.484 1.00 1.46 H new ATOM 0 HD2 PRO A 186 15.043 4.266 -7.871 1.00 1.80 H new ATOM 0 HD3 PRO A 186 16.189 5.143 -6.878 1.00 1.80 H new ATOM 15 N SER A 187 16.364 0.738 -3.924 1.00 1.19 N ATOM 16 CA SER A 187 16.190 -0.671 -3.626 1.00 1.28 C ATOM 17 C SER A 187 15.474 -0.853 -2.290 1.00 1.05 C ATOM 18 O SER A 187 16.065 -1.301 -1.305 1.00 1.59 O ATOM 19 CB SER A 187 17.552 -1.371 -3.612 1.00 1.71 C ATOM 20 OG SER A 187 17.410 -2.775 -3.470 1.00 2.10 O ATOM 0 H SER A 187 16.713 1.295 -3.144 1.00 1.19 H new ATOM 0 HA SER A 187 15.572 -1.123 -4.402 1.00 1.28 H new ATOM 0 HB2 SER A 187 18.086 -1.149 -4.536 1.00 1.71 H new ATOM 0 HB3 SER A 187 18.156 -0.980 -2.793 1.00 1.71 H new ATOM 0 HG SER A 187 18.296 -3.195 -3.466 1.00 2.10 H new ATOM 26 N GLY A 188 14.200 -0.490 -2.260 1.00 0.74 N ATOM 27 CA GLY A 188 13.403 -0.694 -1.069 1.00 0.66 C ATOM 28 C GLY A 188 12.895 0.593 -0.454 1.00 0.68 C ATOM 29 O GLY A 188 12.149 1.341 -1.087 1.00 1.67 O ATOM 0 H GLY A 188 13.704 -0.058 -3.040 1.00 0.74 H new ATOM 0 HA2 GLY A 188 12.553 -1.330 -1.315 1.00 0.66 H new ATOM 0 HA3 GLY A 188 13.999 -1.230 -0.330 1.00 0.66 H new ATOM 33 N GLU A 189 13.338 0.858 0.769 1.00 0.55 N ATOM 34 CA GLU A 189 12.788 1.925 1.602 1.00 0.43 C ATOM 35 C GLU A 189 12.922 3.308 0.968 1.00 0.35 C ATOM 36 O GLU A 189 11.999 4.119 1.053 1.00 0.33 O ATOM 37 CB GLU A 189 13.473 1.911 2.968 1.00 0.59 C ATOM 38 CG GLU A 189 13.205 0.643 3.761 1.00 1.03 C ATOM 39 CD GLU A 189 14.040 0.550 5.021 1.00 1.38 C ATOM 40 OE1 GLU A 189 13.874 1.400 5.916 1.00 1.91 O ATOM 41 OE2 GLU A 189 14.869 -0.381 5.122 1.00 1.96 O ATOM 0 H GLU A 189 14.093 0.337 1.215 1.00 0.55 H new ATOM 0 HA GLU A 189 11.721 1.731 1.709 1.00 0.43 H new ATOM 0 HB2 GLU A 189 14.548 2.024 2.829 1.00 0.59 H new ATOM 0 HB3 GLU A 189 13.134 2.771 3.546 1.00 0.59 H new ATOM 0 HG2 GLU A 189 12.149 0.603 4.027 1.00 1.03 H new ATOM 0 HG3 GLU A 189 13.408 -0.223 3.131 1.00 1.03 H new ATOM 48 N SER A 190 14.064 3.579 0.343 1.00 0.39 N ATOM 49 CA SER A 190 14.348 4.895 -0.223 1.00 0.43 C ATOM 50 C SER A 190 13.216 5.408 -1.118 1.00 0.37 C ATOM 51 O SER A 190 12.852 6.582 -1.047 1.00 0.39 O ATOM 52 CB SER A 190 15.658 4.854 -1.011 1.00 0.55 C ATOM 53 OG SER A 190 16.047 6.150 -1.432 1.00 1.24 O ATOM 0 H SER A 190 14.814 2.899 0.215 1.00 0.39 H new ATOM 0 HA SER A 190 14.438 5.590 0.612 1.00 0.43 H new ATOM 0 HB2 SER A 190 16.443 4.419 -0.393 1.00 0.55 H new ATOM 0 HB3 SER A 190 15.542 4.207 -1.880 1.00 0.55 H new ATOM 0 HG SER A 190 16.888 6.093 -1.932 1.00 1.24 H new ATOM 59 N VAL A 191 12.646 4.538 -1.944 1.00 0.35 N ATOM 60 CA VAL A 191 11.589 4.967 -2.848 1.00 0.30 C ATOM 61 C VAL A 191 10.260 5.062 -2.108 1.00 0.25 C ATOM 62 O VAL A 191 9.404 5.864 -2.458 1.00 0.25 O ATOM 63 CB VAL A 191 11.446 4.041 -4.076 1.00 0.30 C ATOM 64 CG1 VAL A 191 10.942 2.667 -3.682 1.00 0.35 C ATOM 65 CG2 VAL A 191 10.530 4.666 -5.114 1.00 0.31 C ATOM 0 H VAL A 191 12.893 3.550 -2.006 1.00 0.35 H new ATOM 0 HA VAL A 191 11.871 5.953 -3.217 1.00 0.30 H new ATOM 0 HB VAL A 191 12.437 3.918 -4.513 1.00 0.30 H new ATOM 0 HG11 VAL A 191 10.854 2.043 -4.571 1.00 0.35 H new ATOM 0 HG12 VAL A 191 11.643 2.208 -2.985 1.00 0.35 H new ATOM 0 HG13 VAL A 191 9.966 2.760 -3.206 1.00 0.35 H new ATOM 0 HG21 VAL A 191 10.442 3.998 -5.971 1.00 0.31 H new ATOM 0 HG22 VAL A 191 9.544 4.829 -4.678 1.00 0.31 H new ATOM 0 HG23 VAL A 191 10.945 5.620 -5.438 1.00 0.31 H new ATOM 75 N VAL A 192 10.108 4.262 -1.064 1.00 0.24 N ATOM 76 CA VAL A 192 8.901 4.290 -0.249 1.00 0.21 C ATOM 77 C VAL A 192 8.827 5.597 0.521 1.00 0.20 C ATOM 78 O VAL A 192 7.755 6.055 0.906 1.00 0.20 O ATOM 79 CB VAL A 192 8.872 3.119 0.752 1.00 0.20 C ATOM 80 CG1 VAL A 192 7.559 3.088 1.517 1.00 0.17 C ATOM 81 CG2 VAL A 192 9.104 1.806 0.034 1.00 0.23 C ATOM 0 H VAL A 192 10.806 3.584 -0.760 1.00 0.24 H new ATOM 0 HA VAL A 192 8.046 4.199 -0.919 1.00 0.21 H new ATOM 0 HB VAL A 192 9.676 3.267 1.473 1.00 0.20 H new ATOM 0 HG11 VAL A 192 7.565 2.252 2.216 1.00 0.17 H new ATOM 0 HG12 VAL A 192 7.436 4.021 2.067 1.00 0.17 H new ATOM 0 HG13 VAL A 192 6.732 2.969 0.816 1.00 0.17 H new ATOM 0 HG21 VAL A 192 9.081 0.988 0.754 1.00 0.23 H new ATOM 0 HG22 VAL A 192 8.323 1.656 -0.711 1.00 0.23 H new ATOM 0 HG23 VAL A 192 10.076 1.828 -0.459 1.00 0.23 H new ATOM 91 N ALA A 193 9.980 6.213 0.718 1.00 0.22 N ATOM 92 CA ALA A 193 10.072 7.448 1.472 1.00 0.22 C ATOM 93 C ALA A 193 9.760 8.663 0.603 1.00 0.22 C ATOM 94 O ALA A 193 10.007 9.801 1.009 1.00 0.24 O ATOM 95 CB ALA A 193 11.457 7.580 2.084 1.00 0.24 C ATOM 0 H ALA A 193 10.873 5.872 0.362 1.00 0.22 H new ATOM 0 HA ALA A 193 9.327 7.412 2.267 1.00 0.22 H new ATOM 0 HB1 ALA A 193 11.518 8.510 2.649 1.00 0.24 H new ATOM 0 HB2 ALA A 193 11.642 6.738 2.751 1.00 0.24 H new ATOM 0 HB3 ALA A 193 12.206 7.587 1.292 1.00 0.24 H new ATOM 101 N THR A 194 9.221 8.433 -0.587 1.00 0.22 N ATOM 102 CA THR A 194 8.985 9.521 -1.518 1.00 0.23 C ATOM 103 C THR A 194 7.499 9.826 -1.599 1.00 0.22 C ATOM 104 O THR A 194 6.656 8.931 -1.502 1.00 0.20 O ATOM 105 CB THR A 194 9.510 9.198 -2.935 1.00 0.24 C ATOM 106 OG1 THR A 194 8.764 8.121 -3.514 1.00 0.24 O ATOM 107 CG2 THR A 194 10.984 8.829 -2.895 1.00 0.26 C ATOM 0 H THR A 194 8.942 7.512 -0.925 1.00 0.22 H new ATOM 0 HA THR A 194 9.529 10.388 -1.142 1.00 0.23 H new ATOM 0 HB THR A 194 9.386 10.091 -3.548 1.00 0.24 H new ATOM 0 HG1 THR A 194 9.259 7.283 -3.402 1.00 0.24 H new ATOM 0 HG21 THR A 194 11.331 8.606 -3.904 1.00 0.26 H new ATOM 0 HG22 THR A 194 11.557 9.663 -2.491 1.00 0.26 H new ATOM 0 HG23 THR A 194 11.123 7.953 -2.262 1.00 0.26 H new ATOM 115 N GLU A 195 7.191 11.098 -1.781 1.00 0.26 N ATOM 116 CA GLU A 195 5.811 11.534 -1.919 1.00 0.26 C ATOM 117 C GLU A 195 5.212 10.953 -3.193 1.00 0.20 C ATOM 118 O GLU A 195 4.017 10.677 -3.258 1.00 0.19 O ATOM 119 CB GLU A 195 5.705 13.059 -1.917 1.00 0.36 C ATOM 120 CG GLU A 195 6.463 13.738 -3.042 1.00 0.83 C ATOM 121 CD GLU A 195 6.210 15.228 -3.087 1.00 1.69 C ATOM 122 OE1 GLU A 195 5.224 15.650 -3.721 1.00 2.22 O ATOM 123 OE2 GLU A 195 6.996 15.986 -2.481 1.00 2.46 O ATOM 0 H GLU A 195 7.879 11.849 -1.837 1.00 0.26 H new ATOM 0 HA GLU A 195 5.247 11.168 -1.061 1.00 0.26 H new ATOM 0 HB2 GLU A 195 4.654 13.339 -1.982 1.00 0.36 H new ATOM 0 HB3 GLU A 195 6.077 13.436 -0.964 1.00 0.36 H new ATOM 0 HG2 GLU A 195 7.531 13.557 -2.919 1.00 0.83 H new ATOM 0 HG3 GLU A 195 6.172 13.293 -3.994 1.00 0.83 H new ATOM 130 N ALA A 196 6.059 10.783 -4.204 1.00 0.21 N ATOM 131 CA ALA A 196 5.658 10.164 -5.459 1.00 0.21 C ATOM 132 C ALA A 196 5.216 8.718 -5.255 1.00 0.17 C ATOM 133 O ALA A 196 4.282 8.255 -5.908 1.00 0.17 O ATOM 134 CB ALA A 196 6.791 10.233 -6.468 1.00 0.26 C ATOM 0 H ALA A 196 7.037 11.070 -4.175 1.00 0.21 H new ATOM 0 HA ALA A 196 4.804 10.721 -5.846 1.00 0.21 H new ATOM 0 HB1 ALA A 196 6.476 9.766 -7.401 1.00 0.26 H new ATOM 0 HB2 ALA A 196 7.050 11.275 -6.653 1.00 0.26 H new ATOM 0 HB3 ALA A 196 7.661 9.707 -6.075 1.00 0.26 H new ATOM 140 N PHE A 197 5.878 8.009 -4.344 1.00 0.14 N ATOM 141 CA PHE A 197 5.518 6.626 -4.054 1.00 0.12 C ATOM 142 C PHE A 197 4.100 6.561 -3.523 1.00 0.11 C ATOM 143 O PHE A 197 3.279 5.796 -4.010 1.00 0.11 O ATOM 144 CB PHE A 197 6.478 6.011 -3.027 1.00 0.10 C ATOM 145 CG PHE A 197 6.053 4.656 -2.524 1.00 0.10 C ATOM 146 CD1 PHE A 197 6.438 3.504 -3.186 1.00 0.17 C ATOM 147 CD2 PHE A 197 5.262 4.537 -1.392 1.00 0.14 C ATOM 148 CE1 PHE A 197 6.042 2.263 -2.733 1.00 0.22 C ATOM 149 CE2 PHE A 197 4.864 3.299 -0.933 1.00 0.15 C ATOM 150 CZ PHE A 197 5.254 2.159 -1.605 1.00 0.17 C ATOM 0 H PHE A 197 6.661 8.367 -3.798 1.00 0.14 H new ATOM 0 HA PHE A 197 5.589 6.056 -4.981 1.00 0.12 H new ATOM 0 HB2 PHE A 197 7.468 5.926 -3.476 1.00 0.10 H new ATOM 0 HB3 PHE A 197 6.569 6.690 -2.179 1.00 0.10 H new ATOM 0 HD1 PHE A 197 7.056 3.577 -4.068 1.00 0.17 H new ATOM 0 HD2 PHE A 197 4.953 5.426 -0.862 1.00 0.14 H new ATOM 0 HE1 PHE A 197 6.349 1.372 -3.261 1.00 0.22 H new ATOM 0 HE2 PHE A 197 4.248 3.222 -0.049 1.00 0.15 H new ATOM 0 HZ PHE A 197 4.943 1.188 -1.249 1.00 0.17 H new ATOM 160 N TRP A 198 3.832 7.382 -2.525 1.00 0.11 N ATOM 161 CA TRP A 198 2.523 7.423 -1.896 1.00 0.11 C ATOM 162 C TRP A 198 1.473 8.001 -2.833 1.00 0.12 C ATOM 163 O TRP A 198 0.295 7.658 -2.743 1.00 0.13 O ATOM 164 CB TRP A 198 2.599 8.198 -0.585 1.00 0.11 C ATOM 165 CG TRP A 198 3.484 7.509 0.402 1.00 0.11 C ATOM 166 CD1 TRP A 198 4.726 7.897 0.809 1.00 0.12 C ATOM 167 CD2 TRP A 198 3.204 6.279 1.075 1.00 0.12 C ATOM 168 NE1 TRP A 198 5.233 6.985 1.700 1.00 0.13 N ATOM 169 CE2 TRP A 198 4.317 5.983 1.882 1.00 0.13 C ATOM 170 CE3 TRP A 198 2.118 5.402 1.075 1.00 0.14 C ATOM 171 CZ2 TRP A 198 4.374 4.844 2.680 1.00 0.16 C ATOM 172 CZ3 TRP A 198 2.174 4.274 1.865 1.00 0.16 C ATOM 173 CH2 TRP A 198 3.296 4.002 2.659 1.00 0.17 C ATOM 0 H TRP A 198 4.509 8.035 -2.129 1.00 0.11 H new ATOM 0 HA TRP A 198 2.214 6.402 -1.672 1.00 0.11 H new ATOM 0 HB2 TRP A 198 2.976 9.203 -0.775 1.00 0.11 H new ATOM 0 HB3 TRP A 198 1.599 8.307 -0.166 1.00 0.11 H new ATOM 0 HD1 TRP A 198 5.236 8.790 0.479 1.00 0.12 H new ATOM 0 HE1 TRP A 198 6.145 7.044 2.154 1.00 0.13 H new ATOM 0 HE3 TRP A 198 1.249 5.604 0.466 1.00 0.14 H new ATOM 0 HZ2 TRP A 198 5.238 4.633 3.293 1.00 0.16 H new ATOM 0 HZ3 TRP A 198 1.339 3.589 1.872 1.00 0.16 H new ATOM 0 HH2 TRP A 198 3.310 3.109 3.267 1.00 0.17 H new ATOM 184 N ASP A 199 1.904 8.869 -3.735 1.00 0.13 N ATOM 185 CA ASP A 199 1.014 9.428 -4.744 1.00 0.16 C ATOM 186 C ASP A 199 0.517 8.329 -5.678 1.00 0.14 C ATOM 187 O ASP A 199 -0.683 8.201 -5.921 1.00 0.15 O ATOM 188 CB ASP A 199 1.728 10.519 -5.549 1.00 0.21 C ATOM 189 CG ASP A 199 0.853 11.114 -6.636 1.00 0.30 C ATOM 190 OD1 ASP A 199 0.836 10.572 -7.760 1.00 1.23 O ATOM 191 OD2 ASP A 199 0.182 12.132 -6.372 1.00 1.01 O ATOM 0 H ASP A 199 2.866 9.203 -3.790 1.00 0.13 H new ATOM 0 HA ASP A 199 0.159 9.875 -4.237 1.00 0.16 H new ATOM 0 HB2 ASP A 199 2.050 11.311 -4.873 1.00 0.21 H new ATOM 0 HB3 ASP A 199 2.628 10.101 -6.001 1.00 0.21 H new ATOM 196 N ASP A 200 1.444 7.526 -6.185 1.00 0.16 N ATOM 197 CA ASP A 200 1.092 6.432 -7.086 1.00 0.18 C ATOM 198 C ASP A 200 0.414 5.298 -6.333 1.00 0.14 C ATOM 199 O ASP A 200 -0.447 4.611 -6.879 1.00 0.15 O ATOM 200 CB ASP A 200 2.321 5.903 -7.820 1.00 0.24 C ATOM 201 CG ASP A 200 2.732 6.782 -8.980 1.00 0.55 C ATOM 202 OD1 ASP A 200 2.040 6.763 -10.017 1.00 1.37 O ATOM 203 OD2 ASP A 200 3.761 7.477 -8.873 1.00 1.12 O ATOM 0 H ASP A 200 2.442 7.610 -5.990 1.00 0.16 H new ATOM 0 HA ASP A 200 0.393 6.831 -7.821 1.00 0.18 H new ATOM 0 HB2 ASP A 200 3.151 5.823 -7.118 1.00 0.24 H new ATOM 0 HB3 ASP A 200 2.115 4.897 -8.187 1.00 0.24 H new ATOM 208 N LEU A 201 0.823 5.092 -5.089 1.00 0.12 N ATOM 209 CA LEU A 201 0.203 4.099 -4.220 1.00 0.11 C ATOM 210 C LEU A 201 -1.280 4.425 -4.062 1.00 0.12 C ATOM 211 O LEU A 201 -2.143 3.563 -4.238 1.00 0.13 O ATOM 212 CB LEU A 201 0.921 4.103 -2.856 1.00 0.11 C ATOM 213 CG LEU A 201 0.775 2.849 -1.978 1.00 0.11 C ATOM 214 CD1 LEU A 201 -0.638 2.707 -1.438 1.00 0.18 C ATOM 215 CD2 LEU A 201 1.181 1.603 -2.748 1.00 0.13 C ATOM 0 H LEU A 201 1.590 5.605 -4.654 1.00 0.12 H new ATOM 0 HA LEU A 201 0.292 3.104 -4.655 1.00 0.11 H new ATOM 0 HB2 LEU A 201 1.984 4.268 -3.035 1.00 0.11 H new ATOM 0 HB3 LEU A 201 0.557 4.958 -2.286 1.00 0.11 H new ATOM 0 HG LEU A 201 1.445 2.964 -1.126 1.00 0.11 H new ATOM 0 HD11 LEU A 201 -0.704 1.810 -0.822 1.00 0.18 H new ATOM 0 HD12 LEU A 201 -0.886 3.580 -0.835 1.00 0.18 H new ATOM 0 HD13 LEU A 201 -1.339 2.629 -2.269 1.00 0.18 H new ATOM 0 HD21 LEU A 201 1.070 0.728 -2.108 1.00 0.13 H new ATOM 0 HD22 LEU A 201 0.544 1.494 -3.626 1.00 0.13 H new ATOM 0 HD23 LEU A 201 2.221 1.693 -3.063 1.00 0.13 H new ATOM 227 N GLN A 202 -1.570 5.689 -3.780 1.00 0.11 N ATOM 228 CA GLN A 202 -2.944 6.146 -3.692 1.00 0.12 C ATOM 229 C GLN A 202 -3.616 6.062 -5.053 1.00 0.12 C ATOM 230 O GLN A 202 -4.792 5.753 -5.141 1.00 0.13 O ATOM 231 CB GLN A 202 -3.019 7.574 -3.161 1.00 0.15 C ATOM 232 CG GLN A 202 -4.420 8.158 -3.223 1.00 0.21 C ATOM 233 CD GLN A 202 -4.517 9.535 -2.613 1.00 0.25 C ATOM 234 OE1 GLN A 202 -3.546 10.285 -2.581 1.00 0.71 O ATOM 235 NE2 GLN A 202 -5.700 9.882 -2.137 1.00 0.40 N ATOM 0 H GLN A 202 -0.871 6.412 -3.609 1.00 0.11 H new ATOM 0 HA GLN A 202 -3.469 5.495 -2.993 1.00 0.12 H new ATOM 0 HB2 GLN A 202 -2.670 7.591 -2.129 1.00 0.15 H new ATOM 0 HB3 GLN A 202 -2.342 8.206 -3.736 1.00 0.15 H new ATOM 0 HG2 GLN A 202 -4.741 8.205 -4.263 1.00 0.21 H new ATOM 0 HG3 GLN A 202 -5.109 7.489 -2.706 1.00 0.21 H new ATOM 0 HE21 GLN A 202 -6.481 9.227 -2.184 1.00 0.40 H new ATOM 0 HE22 GLN A 202 -5.832 10.805 -1.723 1.00 0.40 H new ATOM 244 N GLY A 203 -2.854 6.329 -6.107 1.00 0.14 N ATOM 245 CA GLY A 203 -3.379 6.223 -7.456 1.00 0.16 C ATOM 246 C GLY A 203 -3.889 4.826 -7.760 1.00 0.15 C ATOM 247 O GLY A 203 -4.958 4.658 -8.351 1.00 0.15 O ATOM 0 H GLY A 203 -1.877 6.618 -6.051 1.00 0.14 H new ATOM 0 HA2 GLY A 203 -4.189 6.941 -7.587 1.00 0.16 H new ATOM 0 HA3 GLY A 203 -2.599 6.488 -8.170 1.00 0.16 H new ATOM 251 N PHE A 204 -3.135 3.825 -7.324 1.00 0.15 N ATOM 252 CA PHE A 204 -3.521 2.435 -7.508 1.00 0.17 C ATOM 253 C PHE A 204 -4.750 2.137 -6.671 1.00 0.17 C ATOM 254 O PHE A 204 -5.649 1.412 -7.094 1.00 0.18 O ATOM 255 CB PHE A 204 -2.373 1.500 -7.111 1.00 0.20 C ATOM 256 CG PHE A 204 -2.768 0.048 -7.075 1.00 0.22 C ATOM 257 CD1 PHE A 204 -2.917 -0.676 -8.246 1.00 1.24 C ATOM 258 CD2 PHE A 204 -2.998 -0.588 -5.864 1.00 1.19 C ATOM 259 CE1 PHE A 204 -3.290 -2.006 -8.210 1.00 1.26 C ATOM 260 CE2 PHE A 204 -3.369 -1.918 -5.823 1.00 1.20 C ATOM 261 CZ PHE A 204 -3.517 -2.627 -6.996 1.00 0.31 C ATOM 0 H PHE A 204 -2.248 3.953 -6.838 1.00 0.15 H new ATOM 0 HA PHE A 204 -3.750 2.267 -8.560 1.00 0.17 H new ATOM 0 HB2 PHE A 204 -1.551 1.628 -7.815 1.00 0.20 H new ATOM 0 HB3 PHE A 204 -2.000 1.792 -6.129 1.00 0.20 H new ATOM 0 HD1 PHE A 204 -2.740 -0.196 -9.197 1.00 1.24 H new ATOM 0 HD2 PHE A 204 -2.886 -0.037 -4.942 1.00 1.19 H new ATOM 0 HE1 PHE A 204 -3.404 -2.560 -9.130 1.00 1.26 H new ATOM 0 HE2 PHE A 204 -3.543 -2.402 -4.873 1.00 1.20 H new ATOM 0 HZ PHE A 204 -3.810 -3.666 -6.967 1.00 0.31 H new ATOM 271 N LEU A 205 -4.782 2.718 -5.484 1.00 0.16 N ATOM 272 CA LEU A 205 -5.909 2.555 -4.583 1.00 0.17 C ATOM 273 C LEU A 205 -7.163 3.198 -5.167 1.00 0.17 C ATOM 274 O LEU A 205 -8.260 2.691 -4.993 1.00 0.19 O ATOM 275 CB LEU A 205 -5.584 3.163 -3.217 1.00 0.17 C ATOM 276 CG LEU A 205 -4.953 2.215 -2.189 1.00 0.17 C ATOM 277 CD1 LEU A 205 -3.925 1.296 -2.828 1.00 0.18 C ATOM 278 CD2 LEU A 205 -4.306 3.020 -1.078 1.00 0.15 C ATOM 0 H LEU A 205 -4.035 3.310 -5.121 1.00 0.16 H new ATOM 0 HA LEU A 205 -6.100 1.489 -4.456 1.00 0.17 H new ATOM 0 HB2 LEU A 205 -4.908 4.004 -3.368 1.00 0.17 H new ATOM 0 HB3 LEU A 205 -6.504 3.566 -2.793 1.00 0.17 H new ATOM 0 HG LEU A 205 -5.747 1.591 -1.778 1.00 0.17 H new ATOM 0 HD11 LEU A 205 -3.501 0.640 -2.068 1.00 0.18 H new ATOM 0 HD12 LEU A 205 -4.405 0.694 -3.600 1.00 0.18 H new ATOM 0 HD13 LEU A 205 -3.131 1.894 -3.275 1.00 0.18 H new ATOM 0 HD21 LEU A 205 -3.859 2.342 -0.350 1.00 0.15 H new ATOM 0 HD22 LEU A 205 -3.532 3.663 -1.498 1.00 0.15 H new ATOM 0 HD23 LEU A 205 -5.061 3.634 -0.586 1.00 0.15 H new ATOM 290 N GLU A 206 -6.992 4.310 -5.866 1.00 0.17 N ATOM 291 CA GLU A 206 -8.102 4.982 -6.523 1.00 0.19 C ATOM 292 C GLU A 206 -8.686 4.101 -7.614 1.00 0.21 C ATOM 293 O GLU A 206 -9.895 3.901 -7.684 1.00 0.24 O ATOM 294 CB GLU A 206 -7.647 6.312 -7.129 1.00 0.21 C ATOM 295 CG GLU A 206 -7.246 7.360 -6.103 1.00 0.23 C ATOM 296 CD GLU A 206 -6.769 8.644 -6.752 1.00 0.30 C ATOM 297 OE1 GLU A 206 -7.623 9.429 -7.216 1.00 1.13 O ATOM 298 OE2 GLU A 206 -5.542 8.873 -6.811 1.00 1.12 O ATOM 0 H GLU A 206 -6.089 4.768 -5.993 1.00 0.17 H new ATOM 0 HA GLU A 206 -8.868 5.178 -5.773 1.00 0.19 H new ATOM 0 HB2 GLU A 206 -6.802 6.126 -7.791 1.00 0.21 H new ATOM 0 HB3 GLU A 206 -8.452 6.712 -7.745 1.00 0.21 H new ATOM 0 HG2 GLU A 206 -8.096 7.576 -5.456 1.00 0.23 H new ATOM 0 HG3 GLU A 206 -6.455 6.960 -5.468 1.00 0.23 H new ATOM 305 N GLN A 207 -7.812 3.567 -8.458 1.00 0.22 N ATOM 306 CA GLN A 207 -8.236 2.731 -9.575 1.00 0.26 C ATOM 307 C GLN A 207 -8.878 1.430 -9.093 1.00 0.26 C ATOM 308 O GLN A 207 -9.883 0.978 -9.641 1.00 0.27 O ATOM 309 CB GLN A 207 -7.041 2.423 -10.477 1.00 0.34 C ATOM 310 CG GLN A 207 -6.362 3.670 -11.009 1.00 0.41 C ATOM 311 CD GLN A 207 -5.191 3.364 -11.921 1.00 0.54 C ATOM 312 OE1 GLN A 207 -4.052 3.234 -11.470 1.00 0.80 O ATOM 313 NE2 GLN A 207 -5.460 3.254 -13.210 1.00 1.13 N ATOM 0 H GLN A 207 -6.803 3.698 -8.390 1.00 0.22 H new ATOM 0 HA GLN A 207 -8.987 3.283 -10.140 1.00 0.26 H new ATOM 0 HB2 GLN A 207 -6.315 1.831 -9.919 1.00 0.34 H new ATOM 0 HB3 GLN A 207 -7.374 1.812 -11.316 1.00 0.34 H new ATOM 0 HG2 GLN A 207 -7.092 4.270 -11.553 1.00 0.41 H new ATOM 0 HG3 GLN A 207 -6.014 4.273 -10.170 1.00 0.41 H new ATOM 0 HE21 GLN A 207 -6.417 3.369 -13.543 1.00 1.13 H new ATOM 0 HE22 GLN A 207 -4.710 3.054 -13.872 1.00 1.13 H new ATOM 322 N ARG A 208 -8.285 0.829 -8.076 1.00 0.29 N ATOM 323 CA ARG A 208 -8.754 -0.450 -7.555 1.00 0.35 C ATOM 324 C ARG A 208 -10.038 -0.285 -6.740 1.00 0.36 C ATOM 325 O ARG A 208 -11.024 -0.986 -6.963 1.00 0.41 O ATOM 326 CB ARG A 208 -7.656 -1.068 -6.687 1.00 0.40 C ATOM 327 CG ARG A 208 -7.790 -2.565 -6.476 1.00 0.71 C ATOM 328 CD ARG A 208 -7.650 -3.327 -7.783 1.00 0.48 C ATOM 329 NE ARG A 208 -7.371 -4.742 -7.557 1.00 1.25 N ATOM 330 CZ ARG A 208 -6.423 -5.427 -8.196 1.00 1.28 C ATOM 331 NH1 ARG A 208 -5.724 -4.858 -9.173 1.00 1.59 N ATOM 332 NH2 ARG A 208 -6.188 -6.689 -7.866 1.00 1.97 N ATOM 0 H ARG A 208 -7.472 1.207 -7.590 1.00 0.29 H new ATOM 0 HA ARG A 208 -8.980 -1.107 -8.395 1.00 0.35 H new ATOM 0 HB2 ARG A 208 -6.689 -0.863 -7.146 1.00 0.40 H new ATOM 0 HB3 ARG A 208 -7.658 -0.575 -5.715 1.00 0.40 H new ATOM 0 HG2 ARG A 208 -7.029 -2.904 -5.773 1.00 0.71 H new ATOM 0 HG3 ARG A 208 -8.759 -2.785 -6.028 1.00 0.71 H new ATOM 0 HD2 ARG A 208 -8.567 -3.225 -8.363 1.00 0.48 H new ATOM 0 HD3 ARG A 208 -6.847 -2.888 -8.376 1.00 0.48 H new ATOM 0 HE ARG A 208 -7.937 -5.237 -6.867 1.00 1.25 H new ATOM 0 HH11 ARG A 208 -5.912 -3.891 -9.438 1.00 1.59 H new ATOM 0 HH12 ARG A 208 -5.000 -5.388 -9.658 1.00 1.59 H new ATOM 0 HH21 ARG A 208 -6.732 -7.132 -7.126 1.00 1.97 H new ATOM 0 HH22 ARG A 208 -5.463 -7.217 -8.352 1.00 1.97 H new ATOM 346 N LEU A 209 -10.011 0.648 -5.797 1.00 0.33 N ATOM 347 CA LEU A 209 -11.129 0.863 -4.878 1.00 0.36 C ATOM 348 C LEU A 209 -12.259 1.638 -5.527 1.00 0.39 C ATOM 349 O LEU A 209 -13.404 1.567 -5.078 1.00 0.45 O ATOM 350 CB LEU A 209 -10.666 1.614 -3.626 1.00 0.32 C ATOM 351 CG LEU A 209 -9.949 0.780 -2.558 1.00 0.33 C ATOM 352 CD1 LEU A 209 -8.784 0.003 -3.143 1.00 0.33 C ATOM 353 CD2 LEU A 209 -9.456 1.685 -1.447 1.00 0.38 C ATOM 0 H LEU A 209 -9.221 1.275 -5.645 1.00 0.33 H new ATOM 0 HA LEU A 209 -11.500 -0.124 -4.602 1.00 0.36 H new ATOM 0 HB2 LEU A 209 -9.999 2.418 -3.937 1.00 0.32 H new ATOM 0 HB3 LEU A 209 -11.537 2.082 -3.167 1.00 0.32 H new ATOM 0 HG LEU A 209 -10.664 0.061 -2.159 1.00 0.33 H new ATOM 0 HD11 LEU A 209 -8.301 -0.576 -2.356 1.00 0.33 H new ATOM 0 HD12 LEU A 209 -9.149 -0.672 -3.918 1.00 0.33 H new ATOM 0 HD13 LEU A 209 -8.064 0.698 -3.576 1.00 0.33 H new ATOM 0 HD21 LEU A 209 -8.947 1.088 -0.690 1.00 0.38 H new ATOM 0 HD22 LEU A 209 -8.762 2.419 -1.857 1.00 0.38 H new ATOM 0 HD23 LEU A 209 -10.303 2.200 -0.994 1.00 0.38 H new ATOM 365 N LYS A 210 -11.920 2.374 -6.583 1.00 0.35 N ATOM 366 CA LYS A 210 -12.872 3.232 -7.281 1.00 0.40 C ATOM 367 C LYS A 210 -13.387 4.325 -6.350 1.00 0.38 C ATOM 368 O LYS A 210 -14.528 4.775 -6.470 1.00 0.41 O ATOM 369 CB LYS A 210 -14.038 2.411 -7.845 1.00 0.49 C ATOM 370 CG LYS A 210 -13.623 1.409 -8.911 1.00 0.91 C ATOM 371 CD LYS A 210 -13.028 2.102 -10.126 1.00 1.06 C ATOM 372 CE LYS A 210 -12.682 1.106 -11.221 1.00 1.62 C ATOM 373 NZ LYS A 210 -13.886 0.405 -11.739 1.00 2.19 N ATOM 0 H LYS A 210 -10.980 2.392 -6.978 1.00 0.35 H new ATOM 0 HA LYS A 210 -12.355 3.704 -8.117 1.00 0.40 H new ATOM 0 HB2 LYS A 210 -14.524 1.878 -7.028 1.00 0.49 H new ATOM 0 HB3 LYS A 210 -14.778 3.091 -8.267 1.00 0.49 H new ATOM 0 HG2 LYS A 210 -12.894 0.714 -8.494 1.00 0.91 H new ATOM 0 HG3 LYS A 210 -14.488 0.820 -9.214 1.00 0.91 H new ATOM 0 HD2 LYS A 210 -13.736 2.836 -10.511 1.00 1.06 H new ATOM 0 HD3 LYS A 210 -12.131 2.648 -9.832 1.00 1.06 H new ATOM 0 HE2 LYS A 210 -12.185 1.626 -12.040 1.00 1.62 H new ATOM 0 HE3 LYS A 210 -11.975 0.373 -10.833 1.00 1.62 H new ATOM 0 HZ1 LYS A 210 -13.650 -0.080 -12.628 1.00 2.19 H new ATOM 0 HZ2 LYS A 210 -14.209 -0.293 -11.039 1.00 2.19 H new ATOM 0 HZ3 LYS A 210 -14.643 1.097 -11.912 1.00 2.19 H new ATOM 387 N ASP A 211 -12.531 4.768 -5.433 1.00 0.34 N ATOM 388 CA ASP A 211 -12.927 5.744 -4.426 1.00 0.34 C ATOM 389 C ASP A 211 -11.704 6.479 -3.889 1.00 0.31 C ATOM 390 O ASP A 211 -10.795 5.868 -3.329 1.00 0.31 O ATOM 391 CB ASP A 211 -13.664 5.055 -3.277 1.00 0.37 C ATOM 392 CG ASP A 211 -14.251 6.045 -2.295 1.00 0.40 C ATOM 393 OD1 ASP A 211 -15.405 6.477 -2.498 1.00 1.12 O ATOM 394 OD2 ASP A 211 -13.568 6.400 -1.317 1.00 1.06 O ATOM 0 H ASP A 211 -11.559 4.466 -5.368 1.00 0.34 H new ATOM 0 HA ASP A 211 -13.597 6.466 -4.893 1.00 0.34 H new ATOM 0 HB2 ASP A 211 -14.462 4.432 -3.682 1.00 0.37 H new ATOM 0 HB3 ASP A 211 -12.976 4.392 -2.753 1.00 0.37 H new ATOM 399 N TYR A 212 -11.690 7.791 -4.080 1.00 0.30 N ATOM 400 CA TYR A 212 -10.567 8.624 -3.668 1.00 0.29 C ATOM 401 C TYR A 212 -10.456 8.706 -2.149 1.00 0.30 C ATOM 402 O TYR A 212 -9.354 8.723 -1.605 1.00 0.29 O ATOM 403 CB TYR A 212 -10.693 10.032 -4.252 1.00 0.32 C ATOM 404 CG TYR A 212 -9.566 10.956 -3.843 1.00 0.37 C ATOM 405 CD1 TYR A 212 -8.368 10.973 -4.544 1.00 1.12 C ATOM 406 CD2 TYR A 212 -9.695 11.798 -2.746 1.00 1.35 C ATOM 407 CE1 TYR A 212 -7.332 11.806 -4.166 1.00 1.14 C ATOM 408 CE2 TYR A 212 -8.664 12.629 -2.361 1.00 1.42 C ATOM 409 CZ TYR A 212 -7.486 12.631 -3.073 1.00 0.60 C ATOM 410 OH TYR A 212 -6.454 13.456 -2.684 1.00 0.74 O ATOM 0 H TYR A 212 -12.451 8.306 -4.522 1.00 0.30 H new ATOM 0 HA TYR A 212 -9.661 8.156 -4.053 1.00 0.29 H new ATOM 0 HB2 TYR A 212 -10.721 9.965 -5.340 1.00 0.32 H new ATOM 0 HB3 TYR A 212 -11.641 10.465 -3.935 1.00 0.32 H new ATOM 0 HD1 TYR A 212 -8.243 10.325 -5.399 1.00 1.12 H new ATOM 0 HD2 TYR A 212 -10.618 11.802 -2.185 1.00 1.35 H new ATOM 0 HE1 TYR A 212 -6.407 11.810 -4.724 1.00 1.14 H new ATOM 0 HE2 TYR A 212 -8.780 13.276 -1.504 1.00 1.42 H new ATOM 0 HH TYR A 212 -6.727 13.972 -1.897 1.00 0.74 H new ATOM 420 N ASP A 213 -11.597 8.765 -1.477 1.00 0.34 N ATOM 421 CA ASP A 213 -11.625 8.941 -0.027 1.00 0.37 C ATOM 422 C ASP A 213 -10.985 7.758 0.680 1.00 0.32 C ATOM 423 O ASP A 213 -10.115 7.928 1.533 1.00 0.29 O ATOM 424 CB ASP A 213 -13.063 9.120 0.464 1.00 0.49 C ATOM 425 CG ASP A 213 -13.153 9.261 1.973 1.00 1.15 C ATOM 426 OD1 ASP A 213 -12.908 10.374 2.489 1.00 1.63 O ATOM 427 OD2 ASP A 213 -13.482 8.267 2.653 1.00 2.01 O ATOM 0 H ASP A 213 -12.518 8.694 -1.911 1.00 0.34 H new ATOM 0 HA ASP A 213 -11.052 9.838 0.210 1.00 0.37 H new ATOM 0 HB2 ASP A 213 -13.496 10.003 -0.006 1.00 0.49 H new ATOM 0 HB3 ASP A 213 -13.660 8.265 0.147 1.00 0.49 H new ATOM 432 N GLU A 214 -11.404 6.559 0.305 1.00 0.34 N ATOM 433 CA GLU A 214 -10.877 5.347 0.908 1.00 0.34 C ATOM 434 C GLU A 214 -9.422 5.154 0.505 1.00 0.25 C ATOM 435 O GLU A 214 -8.614 4.626 1.268 1.00 0.25 O ATOM 436 CB GLU A 214 -11.711 4.139 0.485 1.00 0.43 C ATOM 437 CG GLU A 214 -11.504 2.923 1.369 1.00 0.56 C ATOM 438 CD GLU A 214 -11.891 3.192 2.807 1.00 0.74 C ATOM 439 OE1 GLU A 214 -13.087 3.429 3.067 1.00 1.48 O ATOM 440 OE2 GLU A 214 -11.004 3.184 3.681 1.00 1.24 O ATOM 0 H GLU A 214 -12.109 6.400 -0.415 1.00 0.34 H new ATOM 0 HA GLU A 214 -10.931 5.441 1.993 1.00 0.34 H new ATOM 0 HB2 GLU A 214 -12.766 4.413 0.498 1.00 0.43 H new ATOM 0 HB3 GLU A 214 -11.462 3.878 -0.544 1.00 0.43 H new ATOM 0 HG2 GLU A 214 -12.094 2.091 0.985 1.00 0.56 H new ATOM 0 HG3 GLU A 214 -10.458 2.618 1.326 1.00 0.56 H new ATOM 447 N ALA A 215 -9.089 5.619 -0.693 1.00 0.20 N ATOM 448 CA ALA A 215 -7.727 5.530 -1.193 1.00 0.17 C ATOM 449 C ALA A 215 -6.810 6.426 -0.371 1.00 0.15 C ATOM 450 O ALA A 215 -5.670 6.071 -0.073 1.00 0.15 O ATOM 451 CB ALA A 215 -7.676 5.923 -2.662 1.00 0.16 C ATOM 0 H ALA A 215 -9.746 6.062 -1.335 1.00 0.20 H new ATOM 0 HA ALA A 215 -7.385 4.499 -1.100 1.00 0.17 H new ATOM 0 HB1 ALA A 215 -6.650 5.851 -3.022 1.00 0.16 H new ATOM 0 HB2 ALA A 215 -8.311 5.252 -3.240 1.00 0.16 H new ATOM 0 HB3 ALA A 215 -8.030 6.947 -2.777 1.00 0.16 H new ATOM 457 N ASN A 216 -7.330 7.586 0.002 1.00 0.17 N ATOM 458 CA ASN A 216 -6.599 8.532 0.827 1.00 0.18 C ATOM 459 C ASN A 216 -6.437 7.978 2.233 1.00 0.18 C ATOM 460 O ASN A 216 -5.351 8.032 2.807 1.00 0.18 O ATOM 461 CB ASN A 216 -7.336 9.870 0.876 1.00 0.22 C ATOM 462 CG ASN A 216 -6.552 10.952 1.600 1.00 0.33 C ATOM 463 OD1 ASN A 216 -5.236 10.944 1.448 1.00 0.63 O flip ATOM 464 ND2 ASN A 216 -7.128 11.803 2.276 1.00 0.35 N flip ATOM 0 H ASN A 216 -8.266 7.896 -0.258 1.00 0.17 H new ATOM 0 HA ASN A 216 -5.613 8.689 0.390 1.00 0.18 H new ATOM 0 HB2 ASN A 216 -7.547 10.200 -0.141 1.00 0.22 H new ATOM 0 HB3 ASN A 216 -8.297 9.732 1.372 1.00 0.22 H new ATOM 0 HD21 ASN A 216 -8.143 11.778 2.371 1.00 0.35 H new ATOM 0 HD22 ASN A 216 -6.590 12.534 2.742 1.00 0.35 H new ATOM 471 N LYS A 217 -7.519 7.425 2.765 1.00 0.19 N ATOM 472 CA LYS A 217 -7.509 6.829 4.092 1.00 0.19 C ATOM 473 C LYS A 217 -6.474 5.720 4.180 1.00 0.17 C ATOM 474 O LYS A 217 -5.751 5.611 5.170 1.00 0.18 O ATOM 475 CB LYS A 217 -8.889 6.273 4.433 1.00 0.22 C ATOM 476 CG LYS A 217 -9.904 7.336 4.815 1.00 0.27 C ATOM 477 CD LYS A 217 -11.308 6.758 4.943 1.00 0.37 C ATOM 478 CE LYS A 217 -11.356 5.575 5.901 1.00 1.17 C ATOM 479 NZ LYS A 217 -10.881 5.928 7.268 1.00 1.99 N ATOM 0 H LYS A 217 -8.421 7.377 2.292 1.00 0.19 H new ATOM 0 HA LYS A 217 -7.248 7.607 4.809 1.00 0.19 H new ATOM 0 HB2 LYS A 217 -9.267 5.715 3.576 1.00 0.22 H new ATOM 0 HB3 LYS A 217 -8.791 5.565 5.256 1.00 0.22 H new ATOM 0 HG2 LYS A 217 -9.612 7.794 5.760 1.00 0.27 H new ATOM 0 HG3 LYS A 217 -9.903 8.126 4.064 1.00 0.27 H new ATOM 0 HD2 LYS A 217 -11.989 7.534 5.292 1.00 0.37 H new ATOM 0 HD3 LYS A 217 -11.661 6.443 3.961 1.00 0.37 H new ATOM 0 HE2 LYS A 217 -12.378 5.201 5.960 1.00 1.17 H new ATOM 0 HE3 LYS A 217 -10.743 4.766 5.505 1.00 1.17 H new ATOM 0 HZ1 LYS A 217 -11.013 5.114 7.902 1.00 1.99 H new ATOM 0 HZ2 LYS A 217 -9.872 6.179 7.231 1.00 1.99 H new ATOM 0 HZ3 LYS A 217 -11.426 6.738 7.627 1.00 1.99 H new ATOM 493 N LEU A 218 -6.394 4.915 3.135 1.00 0.16 N ATOM 494 CA LEU A 218 -5.445 3.818 3.106 1.00 0.15 C ATOM 495 C LEU A 218 -4.030 4.336 2.913 1.00 0.13 C ATOM 496 O LEU A 218 -3.093 3.797 3.478 1.00 0.14 O ATOM 497 CB LEU A 218 -5.791 2.807 2.022 1.00 0.16 C ATOM 498 CG LEU A 218 -6.981 1.902 2.328 1.00 0.17 C ATOM 499 CD1 LEU A 218 -7.205 0.943 1.179 1.00 0.20 C ATOM 500 CD2 LEU A 218 -6.759 1.134 3.626 1.00 0.20 C ATOM 0 H LEU A 218 -6.972 5.000 2.299 1.00 0.16 H new ATOM 0 HA LEU A 218 -5.504 3.309 4.068 1.00 0.15 H new ATOM 0 HB2 LEU A 218 -5.995 3.347 1.097 1.00 0.16 H new ATOM 0 HB3 LEU A 218 -4.917 2.181 1.840 1.00 0.16 H new ATOM 0 HG LEU A 218 -7.868 2.523 2.452 1.00 0.17 H new ATOM 0 HD11 LEU A 218 -8.056 0.299 1.403 1.00 0.20 H new ATOM 0 HD12 LEU A 218 -7.406 1.507 0.268 1.00 0.20 H new ATOM 0 HD13 LEU A 218 -6.314 0.331 1.037 1.00 0.20 H new ATOM 0 HD21 LEU A 218 -7.620 0.496 3.823 1.00 0.20 H new ATOM 0 HD22 LEU A 218 -5.864 0.518 3.536 1.00 0.20 H new ATOM 0 HD23 LEU A 218 -6.633 1.838 4.448 1.00 0.20 H new ATOM 512 N ARG A 219 -3.879 5.384 2.110 1.00 0.13 N ATOM 513 CA ARG A 219 -2.569 5.982 1.878 1.00 0.13 C ATOM 514 C ARG A 219 -1.977 6.476 3.191 1.00 0.12 C ATOM 515 O ARG A 219 -0.804 6.250 3.482 1.00 0.12 O ATOM 516 CB ARG A 219 -2.669 7.149 0.895 1.00 0.13 C ATOM 517 CG ARG A 219 -1.318 7.621 0.386 1.00 0.19 C ATOM 518 CD ARG A 219 -1.410 8.991 -0.263 1.00 0.17 C ATOM 519 NE ARG A 219 -1.430 10.069 0.729 1.00 0.54 N ATOM 520 CZ ARG A 219 -1.626 11.353 0.430 1.00 0.79 C ATOM 521 NH1 ARG A 219 -1.921 11.713 -0.814 1.00 0.61 N ATOM 522 NH2 ARG A 219 -1.554 12.274 1.382 1.00 1.29 N ATOM 0 H ARG A 219 -4.645 5.836 1.610 1.00 0.13 H new ATOM 0 HA ARG A 219 -1.920 5.217 1.451 1.00 0.13 H new ATOM 0 HB2 ARG A 219 -3.285 6.849 0.047 1.00 0.13 H new ATOM 0 HB3 ARG A 219 -3.178 7.982 1.380 1.00 0.13 H new ATOM 0 HG2 ARG A 219 -0.610 7.657 1.214 1.00 0.19 H new ATOM 0 HG3 ARG A 219 -0.929 6.902 -0.335 1.00 0.19 H new ATOM 0 HD2 ARG A 219 -0.563 9.132 -0.934 1.00 0.17 H new ATOM 0 HD3 ARG A 219 -2.312 9.043 -0.873 1.00 0.17 H new ATOM 0 HE ARG A 219 -1.285 9.822 1.708 1.00 0.54 H new ATOM 0 HH11 ARG A 219 -1.998 11.006 -1.545 1.00 0.61 H new ATOM 0 HH12 ARG A 219 -2.070 12.697 -1.038 1.00 0.61 H new ATOM 0 HH21 ARG A 219 -1.349 12.000 2.343 1.00 1.29 H new ATOM 0 HH22 ARG A 219 -1.704 13.257 1.153 1.00 1.29 H new ATOM 536 N VAL A 220 -2.814 7.124 3.992 1.00 0.13 N ATOM 537 CA VAL A 220 -2.379 7.671 5.269 1.00 0.14 C ATOM 538 C VAL A 220 -2.104 6.536 6.241 1.00 0.14 C ATOM 539 O VAL A 220 -1.065 6.491 6.885 1.00 0.15 O ATOM 540 CB VAL A 220 -3.441 8.613 5.878 1.00 0.16 C ATOM 541 CG1 VAL A 220 -2.968 9.169 7.212 1.00 0.19 C ATOM 542 CG2 VAL A 220 -3.775 9.741 4.916 1.00 0.16 C ATOM 0 H VAL A 220 -3.799 7.283 3.779 1.00 0.13 H new ATOM 0 HA VAL A 220 -1.472 8.249 5.092 1.00 0.14 H new ATOM 0 HB VAL A 220 -4.347 8.033 6.053 1.00 0.16 H new ATOM 0 HG11 VAL A 220 -3.732 9.830 7.622 1.00 0.19 H new ATOM 0 HG12 VAL A 220 -2.788 8.347 7.905 1.00 0.19 H new ATOM 0 HG13 VAL A 220 -2.044 9.729 7.066 1.00 0.19 H new ATOM 0 HG21 VAL A 220 -4.525 10.392 5.365 1.00 0.16 H new ATOM 0 HG22 VAL A 220 -2.874 10.317 4.704 1.00 0.16 H new ATOM 0 HG23 VAL A 220 -4.166 9.324 3.988 1.00 0.16 H new ATOM 552 N LEU A 221 -3.040 5.602 6.290 1.00 0.13 N ATOM 553 CA LEU A 221 -2.964 4.462 7.193 1.00 0.13 C ATOM 554 C LEU A 221 -1.691 3.659 6.943 1.00 0.11 C ATOM 555 O LEU A 221 -0.936 3.352 7.869 1.00 0.12 O ATOM 556 CB LEU A 221 -4.194 3.577 6.992 1.00 0.15 C ATOM 557 CG LEU A 221 -4.240 2.300 7.824 1.00 0.16 C ATOM 558 CD1 LEU A 221 -4.317 2.625 9.309 1.00 0.20 C ATOM 559 CD2 LEU A 221 -5.423 1.449 7.402 1.00 0.26 C ATOM 0 H LEU A 221 -3.875 5.612 5.705 1.00 0.13 H new ATOM 0 HA LEU A 221 -2.939 4.824 8.221 1.00 0.13 H new ATOM 0 HB2 LEU A 221 -5.082 4.167 7.218 1.00 0.15 H new ATOM 0 HB3 LEU A 221 -4.252 3.303 5.939 1.00 0.15 H new ATOM 0 HG LEU A 221 -3.322 1.738 7.650 1.00 0.16 H new ATOM 0 HD11 LEU A 221 -4.349 1.699 9.883 1.00 0.20 H new ATOM 0 HD12 LEU A 221 -3.440 3.203 9.601 1.00 0.20 H new ATOM 0 HD13 LEU A 221 -5.217 3.206 9.508 1.00 0.20 H new ATOM 0 HD21 LEU A 221 -5.449 0.539 8.001 1.00 0.26 H new ATOM 0 HD22 LEU A 221 -6.346 2.009 7.553 1.00 0.26 H new ATOM 0 HD23 LEU A 221 -5.325 1.187 6.348 1.00 0.26 H new ATOM 571 N PHE A 222 -1.451 3.351 5.680 1.00 0.10 N ATOM 572 CA PHE A 222 -0.296 2.565 5.284 1.00 0.10 C ATOM 573 C PHE A 222 0.987 3.345 5.519 1.00 0.10 C ATOM 574 O PHE A 222 2.000 2.777 5.912 1.00 0.11 O ATOM 575 CB PHE A 222 -0.387 2.166 3.808 1.00 0.10 C ATOM 576 CG PHE A 222 -1.534 1.246 3.471 1.00 0.10 C ATOM 577 CD1 PHE A 222 -2.306 0.668 4.469 1.00 1.16 C ATOM 578 CD2 PHE A 222 -1.837 0.962 2.149 1.00 1.23 C ATOM 579 CE1 PHE A 222 -3.351 -0.173 4.153 1.00 1.15 C ATOM 580 CE2 PHE A 222 -2.883 0.120 1.827 1.00 1.25 C ATOM 581 CZ PHE A 222 -3.642 -0.448 2.831 1.00 0.12 C ATOM 0 H PHE A 222 -2.048 3.637 4.904 1.00 0.10 H new ATOM 0 HA PHE A 222 -0.284 1.662 5.894 1.00 0.10 H new ATOM 0 HB2 PHE A 222 -0.476 3.071 3.206 1.00 0.10 H new ATOM 0 HB3 PHE A 222 0.546 1.682 3.519 1.00 0.10 H new ATOM 0 HD1 PHE A 222 -2.085 0.880 5.505 1.00 1.16 H new ATOM 0 HD2 PHE A 222 -1.247 1.405 1.360 1.00 1.23 H new ATOM 0 HE1 PHE A 222 -3.943 -0.617 4.940 1.00 1.15 H new ATOM 0 HE2 PHE A 222 -3.107 -0.094 0.792 1.00 1.25 H new ATOM 0 HZ PHE A 222 -4.462 -1.106 2.583 1.00 0.12 H new ATOM 591 N LYS A 223 0.942 4.651 5.286 1.00 0.10 N ATOM 592 CA LYS A 223 2.116 5.487 5.472 1.00 0.11 C ATOM 593 C LYS A 223 2.481 5.593 6.946 1.00 0.12 C ATOM 594 O LYS A 223 3.657 5.656 7.297 1.00 0.14 O ATOM 595 CB LYS A 223 1.898 6.878 4.884 1.00 0.12 C ATOM 596 CG LYS A 223 3.166 7.709 4.849 1.00 0.13 C ATOM 597 CD LYS A 223 2.947 9.033 4.142 1.00 0.20 C ATOM 598 CE LYS A 223 4.243 9.804 4.012 1.00 0.25 C ATOM 599 NZ LYS A 223 4.038 11.133 3.381 1.00 0.36 N ATOM 0 H LYS A 223 0.110 5.149 4.970 1.00 0.10 H new ATOM 0 HA LYS A 223 2.943 5.015 4.943 1.00 0.11 H new ATOM 0 HB2 LYS A 223 1.505 6.782 3.872 1.00 0.12 H new ATOM 0 HB3 LYS A 223 1.143 7.401 5.471 1.00 0.12 H new ATOM 0 HG2 LYS A 223 3.510 7.892 5.867 1.00 0.13 H new ATOM 0 HG3 LYS A 223 3.953 7.151 4.342 1.00 0.13 H new ATOM 0 HD2 LYS A 223 2.526 8.855 3.153 1.00 0.20 H new ATOM 0 HD3 LYS A 223 2.220 9.628 4.695 1.00 0.20 H new ATOM 0 HE2 LYS A 223 4.687 9.936 4.999 1.00 0.25 H new ATOM 0 HE3 LYS A 223 4.951 9.226 3.418 1.00 0.25 H new ATOM 0 HZ1 LYS A 223 4.950 11.628 3.311 1.00 0.36 H new ATOM 0 HZ2 LYS A 223 3.638 11.007 2.429 1.00 0.36 H new ATOM 0 HZ3 LYS A 223 3.383 11.695 3.961 1.00 0.36 H new ATOM 613 N GLU A 224 1.477 5.586 7.810 1.00 0.12 N ATOM 614 CA GLU A 224 1.712 5.648 9.244 1.00 0.13 C ATOM 615 C GLU A 224 2.205 4.296 9.743 1.00 0.13 C ATOM 616 O GLU A 224 2.969 4.208 10.708 1.00 0.15 O ATOM 617 CB GLU A 224 0.438 6.055 9.986 1.00 0.16 C ATOM 618 CG GLU A 224 -0.115 7.406 9.558 1.00 0.24 C ATOM 619 CD GLU A 224 0.899 8.525 9.677 1.00 1.36 C ATOM 620 OE1 GLU A 224 1.303 8.848 10.812 1.00 1.92 O ATOM 621 OE2 GLU A 224 1.296 9.094 8.636 1.00 2.28 O ATOM 0 H GLU A 224 0.494 5.538 7.543 1.00 0.12 H new ATOM 0 HA GLU A 224 2.474 6.402 9.441 1.00 0.13 H new ATOM 0 HB2 GLU A 224 -0.325 5.293 9.825 1.00 0.16 H new ATOM 0 HB3 GLU A 224 0.644 6.079 11.056 1.00 0.16 H new ATOM 0 HG2 GLU A 224 -0.457 7.342 8.525 1.00 0.24 H new ATOM 0 HG3 GLU A 224 -0.986 7.646 10.168 1.00 0.24 H new ATOM 628 N ALA A 225 1.778 3.246 9.055 1.00 0.13 N ATOM 629 CA ALA A 225 2.254 1.904 9.336 1.00 0.15 C ATOM 630 C ALA A 225 3.719 1.804 8.954 1.00 0.15 C ATOM 631 O ALA A 225 4.531 1.219 9.670 1.00 0.16 O ATOM 632 CB ALA A 225 1.437 0.878 8.574 1.00 0.15 C ATOM 0 H ALA A 225 1.100 3.301 8.295 1.00 0.13 H new ATOM 0 HA ALA A 225 2.143 1.699 10.401 1.00 0.15 H new ATOM 0 HB1 ALA A 225 1.809 -0.122 8.798 1.00 0.15 H new ATOM 0 HB2 ALA A 225 0.391 0.951 8.872 1.00 0.15 H new ATOM 0 HB3 ALA A 225 1.523 1.066 7.504 1.00 0.15 H new ATOM 638 N TRP A 226 4.047 2.422 7.827 1.00 0.15 N ATOM 639 CA TRP A 226 5.410 2.483 7.334 1.00 0.16 C ATOM 640 C TRP A 226 6.271 3.299 8.290 1.00 0.17 C ATOM 641 O TRP A 226 7.425 2.963 8.547 1.00 0.18 O ATOM 642 CB TRP A 226 5.416 3.094 5.930 1.00 0.16 C ATOM 643 CG TRP A 226 6.776 3.448 5.431 1.00 0.16 C ATOM 644 CD1 TRP A 226 7.770 2.587 5.066 1.00 0.17 C ATOM 645 CD2 TRP A 226 7.287 4.766 5.232 1.00 0.16 C ATOM 646 NE1 TRP A 226 8.874 3.294 4.661 1.00 0.17 N ATOM 647 CE2 TRP A 226 8.600 4.635 4.752 1.00 0.17 C ATOM 648 CE3 TRP A 226 6.759 6.047 5.419 1.00 0.17 C ATOM 649 CZ2 TRP A 226 9.394 5.736 4.453 1.00 0.18 C ATOM 650 CZ3 TRP A 226 7.546 7.139 5.121 1.00 0.18 C ATOM 651 CH2 TRP A 226 8.852 6.979 4.643 1.00 0.19 C ATOM 0 H TRP A 226 3.370 2.896 7.229 1.00 0.15 H new ATOM 0 HA TRP A 226 5.827 1.478 7.277 1.00 0.16 H new ATOM 0 HB2 TRP A 226 4.957 2.390 5.236 1.00 0.16 H new ATOM 0 HB3 TRP A 226 4.796 3.990 5.932 1.00 0.16 H new ATOM 0 HD1 TRP A 226 7.698 1.510 5.092 1.00 0.17 H new ATOM 0 HE1 TRP A 226 9.755 2.889 4.344 1.00 0.17 H new ATOM 0 HE3 TRP A 226 5.753 6.179 5.790 1.00 0.17 H new ATOM 0 HZ2 TRP A 226 10.402 5.615 4.084 1.00 0.18 H new ATOM 0 HZ3 TRP A 226 7.149 8.134 5.259 1.00 0.18 H new ATOM 0 HH2 TRP A 226 9.444 7.854 4.419 1.00 0.19 H new ATOM 662 N ARG A 227 5.695 4.367 8.824 1.00 0.18 N ATOM 663 CA ARG A 227 6.352 5.155 9.855 1.00 0.21 C ATOM 664 C ARG A 227 6.665 4.288 11.066 1.00 0.24 C ATOM 665 O ARG A 227 7.744 4.384 11.650 1.00 0.25 O ATOM 666 CB ARG A 227 5.473 6.333 10.280 1.00 0.24 C ATOM 667 CG ARG A 227 5.314 7.402 9.214 1.00 0.27 C ATOM 668 CD ARG A 227 6.640 8.059 8.879 1.00 0.37 C ATOM 669 NE ARG A 227 6.482 9.164 7.934 1.00 0.98 N ATOM 670 CZ ARG A 227 7.500 9.780 7.331 1.00 1.26 C ATOM 671 NH1 ARG A 227 8.749 9.396 7.568 1.00 0.71 N ATOM 672 NH2 ARG A 227 7.269 10.782 6.492 1.00 2.25 N ATOM 0 H ARG A 227 4.771 4.708 8.559 1.00 0.18 H new ATOM 0 HA ARG A 227 7.283 5.542 9.441 1.00 0.21 H new ATOM 0 HB2 ARG A 227 4.487 5.957 10.553 1.00 0.24 H new ATOM 0 HB3 ARG A 227 5.900 6.787 11.174 1.00 0.24 H new ATOM 0 HG2 ARG A 227 4.890 6.958 8.313 1.00 0.27 H new ATOM 0 HG3 ARG A 227 4.609 8.159 9.559 1.00 0.27 H new ATOM 0 HD2 ARG A 227 7.103 8.428 9.794 1.00 0.37 H new ATOM 0 HD3 ARG A 227 7.316 7.316 8.457 1.00 0.37 H new ATOM 0 HE ARG A 227 5.536 9.483 7.723 1.00 0.98 H new ATOM 0 HH11 ARG A 227 8.933 8.628 8.213 1.00 0.71 H new ATOM 0 HH12 ARG A 227 9.525 9.870 7.105 1.00 0.71 H new ATOM 0 HH21 ARG A 227 6.312 11.082 6.307 1.00 2.25 H new ATOM 0 HH22 ARG A 227 8.049 11.252 6.032 1.00 2.25 H new ATOM 686 N SER A 228 5.723 3.425 11.426 1.00 0.28 N ATOM 687 CA SER A 228 5.882 2.541 12.573 1.00 0.33 C ATOM 688 C SER A 228 6.864 1.403 12.273 1.00 0.35 C ATOM 689 O SER A 228 7.262 0.661 13.173 1.00 0.40 O ATOM 690 CB SER A 228 4.520 1.965 12.959 1.00 0.36 C ATOM 691 OG SER A 228 3.561 2.997 13.144 1.00 1.16 O ATOM 0 H SER A 228 4.835 3.319 10.936 1.00 0.28 H new ATOM 0 HA SER A 228 6.289 3.122 13.401 1.00 0.33 H new ATOM 0 HB2 SER A 228 4.178 1.281 12.182 1.00 0.36 H new ATOM 0 HB3 SER A 228 4.614 1.384 13.876 1.00 0.36 H new ATOM 0 HG SER A 228 3.338 3.396 12.277 1.00 1.16 H new ATOM 697 N SER A 229 7.246 1.267 11.009 1.00 0.34 N ATOM 698 CA SER A 229 8.176 0.225 10.596 1.00 0.37 C ATOM 699 C SER A 229 9.598 0.571 11.030 1.00 0.38 C ATOM 700 O SER A 229 10.490 -0.278 11.007 1.00 0.42 O ATOM 701 CB SER A 229 8.112 0.042 9.075 1.00 0.34 C ATOM 702 OG SER A 229 8.829 -1.104 8.652 1.00 0.93 O ATOM 0 H SER A 229 6.924 1.868 10.250 1.00 0.34 H new ATOM 0 HA SER A 229 7.890 -0.710 11.078 1.00 0.37 H new ATOM 0 HB2 SER A 229 7.071 -0.045 8.763 1.00 0.34 H new ATOM 0 HB3 SER A 229 8.519 0.927 8.585 1.00 0.34 H new ATOM 0 HG SER A 229 8.765 -1.189 7.678 1.00 0.93 H new ATOM 708 N PHE A 230 9.802 1.818 11.424 1.00 0.36 N ATOM 709 CA PHE A 230 11.104 2.262 11.889 1.00 0.39 C ATOM 710 C PHE A 230 11.196 2.123 13.404 1.00 0.52 C ATOM 711 O PHE A 230 10.954 3.121 14.112 1.00 1.20 O ATOM 712 CB PHE A 230 11.358 3.710 11.470 1.00 0.32 C ATOM 713 CG PHE A 230 11.282 3.923 9.986 1.00 0.30 C ATOM 714 CD1 PHE A 230 12.228 3.362 9.145 1.00 1.21 C ATOM 715 CD2 PHE A 230 10.264 4.679 9.431 1.00 1.22 C ATOM 716 CE1 PHE A 230 12.162 3.551 7.781 1.00 1.21 C ATOM 717 CE2 PHE A 230 10.192 4.872 8.065 1.00 1.27 C ATOM 718 CZ PHE A 230 11.143 4.307 7.239 1.00 0.47 C ATOM 719 OXT PHE A 230 11.490 1.008 13.886 1.00 1.24 O ATOM 0 H PHE A 230 9.082 2.540 11.431 1.00 0.36 H new ATOM 0 HA PHE A 230 11.869 1.634 11.433 1.00 0.39 H new ATOM 0 HB2 PHE A 230 10.629 4.355 11.960 1.00 0.32 H new ATOM 0 HB3 PHE A 230 12.343 4.015 11.824 1.00 0.32 H new ATOM 0 HD1 PHE A 230 13.028 2.769 9.563 1.00 1.21 H new ATOM 0 HD2 PHE A 230 9.518 5.123 10.073 1.00 1.22 H new ATOM 0 HE1 PHE A 230 12.907 3.108 7.137 1.00 1.21 H new ATOM 0 HE2 PHE A 230 9.393 5.464 7.644 1.00 1.27 H new ATOM 0 HZ PHE A 230 11.089 4.456 6.171 1.00 0.47 H new TER 729 PHE A 230 ATOM 730 N PRO B 186 -16.487 -3.087 -6.898 1.00 1.66 N ATOM 731 CA PRO B 186 -16.514 -2.732 -5.465 1.00 1.35 C ATOM 732 C PRO B 186 -16.229 -1.249 -5.292 1.00 1.39 C ATOM 733 O PRO B 186 -15.738 -0.600 -6.213 1.00 1.89 O ATOM 734 CB PRO B 186 -15.470 -3.561 -4.731 1.00 1.29 C ATOM 735 CG PRO B 186 -14.730 -4.243 -5.829 1.00 1.45 C ATOM 736 CD PRO B 186 -15.683 -4.316 -6.997 1.00 1.79 C ATOM 0 HA PRO B 186 -17.500 -2.943 -5.051 1.00 1.35 H new ATOM 0 HB2 PRO B 186 -14.810 -2.935 -4.131 1.00 1.29 H new ATOM 0 HB3 PRO B 186 -15.932 -4.278 -4.053 1.00 1.29 H new ATOM 0 HG2 PRO B 186 -13.830 -3.688 -6.095 1.00 1.45 H new ATOM 0 HG3 PRO B 186 -14.412 -5.240 -5.523 1.00 1.45 H new ATOM 0 HD2 PRO B 186 -15.146 -4.363 -7.944 1.00 1.79 H new ATOM 0 HD3 PRO B 186 -16.310 -5.206 -6.942 1.00 1.79 H new ATOM 744 N SER B 187 -16.525 -0.722 -4.115 1.00 1.18 N ATOM 745 CA SER B 187 -16.348 0.694 -3.858 1.00 1.27 C ATOM 746 C SER B 187 -15.654 0.916 -2.517 1.00 1.04 C ATOM 747 O SER B 187 -16.261 1.394 -1.556 1.00 1.58 O ATOM 748 CB SER B 187 -17.707 1.400 -3.885 1.00 1.70 C ATOM 749 OG SER B 187 -17.561 2.806 -3.778 1.00 2.10 O ATOM 0 H SER B 187 -16.888 -1.255 -3.325 1.00 1.18 H new ATOM 0 HA SER B 187 -15.715 1.116 -4.638 1.00 1.27 H new ATOM 0 HB2 SER B 187 -18.227 1.156 -4.811 1.00 1.70 H new ATOM 0 HB3 SER B 187 -18.326 1.033 -3.066 1.00 1.70 H new ATOM 0 HG SER B 187 -18.445 3.229 -3.800 1.00 2.10 H new ATOM 755 N GLY B 188 -14.381 0.550 -2.457 1.00 0.74 N ATOM 756 CA GLY B 188 -13.602 0.784 -1.260 1.00 0.66 C ATOM 757 C GLY B 188 -13.100 -0.489 -0.603 1.00 0.69 C ATOM 758 O GLY B 188 -12.346 -1.255 -1.203 1.00 1.68 O ATOM 0 H GLY B 188 -13.875 0.095 -3.217 1.00 0.74 H new ATOM 0 HA2 GLY B 188 -12.749 1.415 -1.509 1.00 0.66 H new ATOM 0 HA3 GLY B 188 -14.209 1.337 -0.544 1.00 0.66 H new ATOM 762 N GLU B 189 -13.558 -0.721 0.621 1.00 0.54 N ATOM 763 CA GLU B 189 -13.024 -1.768 1.490 1.00 0.43 C ATOM 764 C GLU B 189 -13.156 -3.169 0.893 1.00 0.34 C ATOM 765 O GLU B 189 -12.238 -3.983 1.017 1.00 0.32 O ATOM 766 CB GLU B 189 -13.731 -1.716 2.844 1.00 0.59 C ATOM 767 CG GLU B 189 -13.475 -0.429 3.608 1.00 1.03 C ATOM 768 CD GLU B 189 -14.342 -0.297 4.843 1.00 1.37 C ATOM 769 OE1 GLU B 189 -14.207 -1.120 5.769 1.00 1.90 O ATOM 770 OE2 GLU B 189 -15.179 0.631 4.885 1.00 1.97 O ATOM 0 H GLU B 189 -14.316 -0.185 1.044 1.00 0.54 H new ATOM 0 HA GLU B 189 -11.958 -1.574 1.606 1.00 0.43 H new ATOM 0 HB2 GLU B 189 -14.804 -1.831 2.690 1.00 0.59 H new ATOM 0 HB3 GLU B 189 -13.403 -2.561 3.450 1.00 0.59 H new ATOM 0 HG2 GLU B 189 -12.426 -0.388 3.900 1.00 1.03 H new ATOM 0 HG3 GLU B 189 -13.656 0.421 2.950 1.00 1.03 H new ATOM 777 N SER B 190 -14.291 -3.452 0.259 1.00 0.38 N ATOM 778 CA SER B 190 -14.577 -4.782 -0.279 1.00 0.42 C ATOM 779 C SER B 190 -13.435 -5.322 -1.145 1.00 0.37 C ATOM 780 O SER B 190 -13.080 -6.498 -1.042 1.00 0.39 O ATOM 781 CB SER B 190 -15.880 -4.749 -1.084 1.00 0.54 C ATOM 782 OG SER B 190 -16.275 -6.049 -1.491 1.00 1.24 O ATOM 0 H SER B 190 -15.035 -2.772 0.104 1.00 0.38 H new ATOM 0 HA SER B 190 -14.683 -5.459 0.568 1.00 0.42 H new ATOM 0 HB2 SER B 190 -16.670 -4.300 -0.481 1.00 0.54 H new ATOM 0 HB3 SER B 190 -15.750 -4.116 -1.962 1.00 0.54 H new ATOM 0 HG SER B 190 -17.110 -5.993 -2.001 1.00 1.24 H new ATOM 788 N VAL B 191 -12.845 -4.477 -1.983 1.00 0.34 N ATOM 789 CA VAL B 191 -11.775 -4.935 -2.860 1.00 0.29 C ATOM 790 C VAL B 191 -10.456 -5.010 -2.100 1.00 0.24 C ATOM 791 O VAL B 191 -9.594 -5.817 -2.420 1.00 0.24 O ATOM 792 CB VAL B 191 -11.613 -4.042 -4.111 1.00 0.29 C ATOM 793 CG1 VAL B 191 -11.111 -2.659 -3.746 1.00 0.34 C ATOM 794 CG2 VAL B 191 -10.684 -4.697 -5.120 1.00 0.30 C ATOM 0 H VAL B 191 -13.084 -3.489 -2.073 1.00 0.34 H new ATOM 0 HA VAL B 191 -12.054 -5.931 -3.204 1.00 0.29 H new ATOM 0 HB VAL B 191 -12.597 -3.929 -4.565 1.00 0.29 H new ATOM 0 HG11 VAL B 191 -11.009 -2.059 -4.650 1.00 0.34 H new ATOM 0 HG12 VAL B 191 -11.821 -2.181 -3.071 1.00 0.34 H new ATOM 0 HG13 VAL B 191 -10.142 -2.742 -3.254 1.00 0.34 H new ATOM 0 HG21 VAL B 191 -10.583 -4.053 -5.993 1.00 0.30 H new ATOM 0 HG22 VAL B 191 -9.705 -4.850 -4.667 1.00 0.30 H new ATOM 0 HG23 VAL B 191 -11.097 -5.659 -5.424 1.00 0.30 H new ATOM 804 N VAL B 192 -10.319 -4.182 -1.076 1.00 0.23 N ATOM 805 CA VAL B 192 -9.124 -4.189 -0.242 1.00 0.20 C ATOM 806 C VAL B 192 -9.061 -5.476 0.566 1.00 0.19 C ATOM 807 O VAL B 192 -7.995 -5.924 0.976 1.00 0.18 O ATOM 808 CB VAL B 192 -9.107 -2.990 0.727 1.00 0.19 C ATOM 809 CG1 VAL B 192 -7.805 -2.939 1.510 1.00 0.16 C ATOM 810 CG2 VAL B 192 -9.326 -1.697 -0.029 1.00 0.22 C ATOM 0 H VAL B 192 -11.021 -3.495 -0.801 1.00 0.23 H new ATOM 0 HA VAL B 192 -8.260 -4.117 -0.903 1.00 0.20 H new ATOM 0 HB VAL B 192 -9.922 -3.118 1.440 1.00 0.19 H new ATOM 0 HG11 VAL B 192 -7.820 -2.084 2.186 1.00 0.16 H new ATOM 0 HG12 VAL B 192 -7.692 -3.856 2.088 1.00 0.16 H new ATOM 0 HG13 VAL B 192 -6.968 -2.840 0.819 1.00 0.16 H new ATOM 0 HG21 VAL B 192 -9.311 -0.860 0.669 1.00 0.22 H new ATOM 0 HG22 VAL B 192 -8.534 -1.568 -0.767 1.00 0.22 H new ATOM 0 HG23 VAL B 192 -10.291 -1.730 -0.535 1.00 0.22 H new ATOM 820 N ALA B 193 -10.218 -6.083 0.764 1.00 0.20 N ATOM 821 CA ALA B 193 -10.323 -7.295 1.550 1.00 0.21 C ATOM 822 C ALA B 193 -10.000 -8.531 0.719 1.00 0.21 C ATOM 823 O ALA B 193 -10.244 -9.657 1.153 1.00 0.23 O ATOM 824 CB ALA B 193 -11.718 -7.407 2.146 1.00 0.23 C ATOM 0 H ALA B 193 -11.105 -5.750 0.386 1.00 0.20 H new ATOM 0 HA ALA B 193 -9.591 -7.240 2.356 1.00 0.21 H new ATOM 0 HB1 ALA B 193 -11.789 -8.321 2.736 1.00 0.23 H new ATOM 0 HB2 ALA B 193 -11.910 -6.546 2.786 1.00 0.23 H new ATOM 0 HB3 ALA B 193 -12.455 -7.434 1.344 1.00 0.23 H new ATOM 830 N THR B 194 -9.449 -8.332 -0.472 1.00 0.21 N ATOM 831 CA THR B 194 -9.201 -9.446 -1.369 1.00 0.22 C ATOM 832 C THR B 194 -7.716 -9.760 -1.417 1.00 0.21 C ATOM 833 O THR B 194 -6.872 -8.867 -1.324 1.00 0.19 O ATOM 834 CB THR B 194 -9.703 -9.166 -2.801 1.00 0.24 C ATOM 835 OG1 THR B 194 -8.946 -8.109 -3.402 1.00 0.23 O ATOM 836 CG2 THR B 194 -11.176 -8.793 -2.794 1.00 0.25 C ATOM 0 H THR B 194 -9.169 -7.420 -0.833 1.00 0.21 H new ATOM 0 HA THR B 194 -9.755 -10.299 -0.976 1.00 0.22 H new ATOM 0 HB THR B 194 -9.572 -10.078 -3.384 1.00 0.24 H new ATOM 0 HG1 THR B 194 -9.440 -7.266 -3.321 1.00 0.23 H new ATOM 0 HG21 THR B 194 -11.507 -8.600 -3.814 1.00 0.25 H new ATOM 0 HG22 THR B 194 -11.757 -9.613 -2.373 1.00 0.25 H new ATOM 0 HG23 THR B 194 -11.322 -7.898 -2.190 1.00 0.25 H new ATOM 844 N GLU B 195 -7.410 -11.037 -1.562 1.00 0.25 N ATOM 845 CA GLU B 195 -6.030 -11.480 -1.667 1.00 0.26 C ATOM 846 C GLU B 195 -5.410 -10.934 -2.947 1.00 0.20 C ATOM 847 O GLU B 195 -4.217 -10.659 -3.000 1.00 0.19 O ATOM 848 CB GLU B 195 -5.929 -13.005 -1.624 1.00 0.36 C ATOM 849 CG GLU B 195 -6.674 -13.710 -2.742 1.00 0.83 C ATOM 850 CD GLU B 195 -6.417 -15.200 -2.751 1.00 1.69 C ATOM 851 OE1 GLU B 195 -5.449 -15.635 -3.406 1.00 2.24 O ATOM 852 OE2 GLU B 195 -7.177 -15.946 -2.102 1.00 2.46 O ATOM 0 H GLU B 195 -8.099 -11.787 -1.610 1.00 0.25 H new ATOM 0 HA GLU B 195 -5.478 -11.093 -0.810 1.00 0.26 H new ATOM 0 HB2 GLU B 195 -4.878 -13.290 -1.667 1.00 0.36 H new ATOM 0 HB3 GLU B 195 -6.315 -13.357 -0.667 1.00 0.36 H new ATOM 0 HG2 GLU B 195 -7.743 -13.528 -2.634 1.00 0.83 H new ATOM 0 HG3 GLU B 195 -6.374 -13.286 -3.700 1.00 0.83 H new ATOM 859 N ALA B 196 -6.242 -10.789 -3.974 1.00 0.21 N ATOM 860 CA ALA B 196 -5.819 -10.207 -5.240 1.00 0.22 C ATOM 861 C ALA B 196 -5.376 -8.757 -5.072 1.00 0.17 C ATOM 862 O ALA B 196 -4.437 -8.310 -5.730 1.00 0.17 O ATOM 863 CB ALA B 196 -6.937 -10.301 -6.262 1.00 0.27 C ATOM 0 H ALA B 196 -7.222 -11.070 -3.951 1.00 0.21 H new ATOM 0 HA ALA B 196 -4.961 -10.777 -5.597 1.00 0.22 H new ATOM 0 HB1 ALA B 196 -6.607 -9.862 -7.204 1.00 0.27 H new ATOM 0 HB2 ALA B 196 -7.198 -11.347 -6.421 1.00 0.27 H new ATOM 0 HB3 ALA B 196 -7.810 -9.761 -5.896 1.00 0.27 H new ATOM 869 N PHE B 197 -6.048 -8.023 -4.189 1.00 0.14 N ATOM 870 CA PHE B 197 -5.689 -6.633 -3.932 1.00 0.12 C ATOM 871 C PHE B 197 -4.279 -6.559 -3.383 1.00 0.11 C ATOM 872 O PHE B 197 -3.449 -5.809 -3.878 1.00 0.12 O ATOM 873 CB PHE B 197 -6.663 -5.991 -2.936 1.00 0.10 C ATOM 874 CG PHE B 197 -6.243 -4.623 -2.465 1.00 0.10 C ATOM 875 CD1 PHE B 197 -6.613 -3.488 -3.165 1.00 0.17 C ATOM 876 CD2 PHE B 197 -5.468 -4.475 -1.323 1.00 0.14 C ATOM 877 CE1 PHE B 197 -6.220 -2.235 -2.739 1.00 0.22 C ATOM 878 CE2 PHE B 197 -5.074 -3.226 -0.893 1.00 0.15 C ATOM 879 CZ PHE B 197 -5.451 -2.104 -1.602 1.00 0.17 C ATOM 0 H PHE B 197 -6.839 -8.365 -3.643 1.00 0.14 H new ATOM 0 HA PHE B 197 -5.745 -6.086 -4.873 1.00 0.12 H new ATOM 0 HB2 PHE B 197 -7.646 -5.918 -3.400 1.00 0.10 H new ATOM 0 HB3 PHE B 197 -6.767 -6.646 -2.071 1.00 0.10 H new ATOM 0 HD1 PHE B 197 -7.217 -3.584 -4.055 1.00 0.17 H new ATOM 0 HD2 PHE B 197 -5.170 -5.350 -0.764 1.00 0.14 H new ATOM 0 HE1 PHE B 197 -6.515 -1.358 -3.296 1.00 0.22 H new ATOM 0 HE2 PHE B 197 -4.471 -3.126 -0.003 1.00 0.15 H new ATOM 0 HZ PHE B 197 -5.144 -1.124 -1.267 1.00 0.17 H new ATOM 889 N TRP B 198 -4.028 -7.353 -2.359 1.00 0.10 N ATOM 890 CA TRP B 198 -2.729 -7.382 -1.710 1.00 0.11 C ATOM 891 C TRP B 198 -1.665 -7.987 -2.615 1.00 0.12 C ATOM 892 O TRP B 198 -0.489 -7.641 -2.515 1.00 0.13 O ATOM 893 CB TRP B 198 -2.826 -8.120 -0.379 1.00 0.11 C ATOM 894 CG TRP B 198 -3.723 -7.401 0.577 1.00 0.11 C ATOM 895 CD1 TRP B 198 -4.972 -7.774 0.977 1.00 0.12 C ATOM 896 CD2 TRP B 198 -3.451 -6.154 1.219 1.00 0.12 C ATOM 897 NE1 TRP B 198 -5.489 -6.836 1.836 1.00 0.13 N ATOM 898 CE2 TRP B 198 -4.573 -5.832 2.002 1.00 0.13 C ATOM 899 CE3 TRP B 198 -2.361 -5.279 1.210 1.00 0.13 C ATOM 900 CZ2 TRP B 198 -4.638 -4.672 2.768 1.00 0.15 C ATOM 901 CZ3 TRP B 198 -2.426 -4.129 1.969 1.00 0.16 C ATOM 902 CH2 TRP B 198 -3.557 -3.834 2.740 1.00 0.16 C ATOM 0 H TRP B 198 -4.713 -7.992 -1.955 1.00 0.10 H new ATOM 0 HA TRP B 198 -2.421 -6.356 -1.509 1.00 0.11 H new ATOM 0 HB2 TRP B 198 -3.204 -9.129 -0.547 1.00 0.11 H new ATOM 0 HB3 TRP B 198 -1.832 -8.220 0.057 1.00 0.11 H new ATOM 0 HD1 TRP B 198 -5.480 -8.674 0.664 1.00 0.12 H new ATOM 0 HE1 TRP B 198 -6.407 -6.880 2.279 1.00 0.13 H new ATOM 0 HE3 TRP B 198 -1.484 -5.499 0.620 1.00 0.13 H new ATOM 0 HZ2 TRP B 198 -5.510 -4.442 3.363 1.00 0.15 H new ATOM 0 HZ3 TRP B 198 -1.590 -3.445 1.969 1.00 0.16 H new ATOM 0 HH2 TRP B 198 -3.576 -2.926 3.325 1.00 0.16 H new ATOM 913 N ASP B 199 -2.084 -8.880 -3.498 1.00 0.13 N ATOM 914 CA ASP B 199 -1.178 -9.467 -4.476 1.00 0.16 C ATOM 915 C ASP B 199 -0.665 -8.394 -5.430 1.00 0.14 C ATOM 916 O ASP B 199 0.540 -8.270 -5.649 1.00 0.14 O ATOM 917 CB ASP B 199 -1.882 -10.576 -5.262 1.00 0.22 C ATOM 918 CG ASP B 199 -0.998 -11.194 -6.329 1.00 0.31 C ATOM 919 OD1 ASP B 199 -0.995 -10.690 -7.473 1.00 1.25 O ATOM 920 OD2 ASP B 199 -0.311 -12.194 -6.033 1.00 0.99 O ATOM 0 H ASP B 199 -3.046 -9.215 -3.558 1.00 0.13 H new ATOM 0 HA ASP B 199 -0.331 -9.901 -3.945 1.00 0.16 H new ATOM 0 HB2 ASP B 199 -2.207 -11.354 -4.571 1.00 0.22 H new ATOM 0 HB3 ASP B 199 -2.779 -10.170 -5.730 1.00 0.22 H new ATOM 925 N ASP B 200 -1.584 -7.605 -5.977 1.00 0.16 N ATOM 926 CA ASP B 200 -1.218 -6.536 -6.902 1.00 0.18 C ATOM 927 C ASP B 200 -0.550 -5.381 -6.171 1.00 0.14 C ATOM 928 O ASP B 200 0.325 -4.715 -6.717 1.00 0.16 O ATOM 929 CB ASP B 200 -2.437 -6.031 -7.672 1.00 0.24 C ATOM 930 CG ASP B 200 -2.827 -6.944 -8.816 1.00 0.55 C ATOM 931 OD1 ASP B 200 -2.122 -6.944 -9.847 1.00 1.37 O ATOM 932 OD2 ASP B 200 -3.853 -7.649 -8.705 1.00 1.12 O ATOM 0 H ASP B 200 -2.585 -7.684 -5.797 1.00 0.16 H new ATOM 0 HA ASP B 200 -0.506 -6.954 -7.614 1.00 0.18 H new ATOM 0 HB2 ASP B 200 -3.279 -5.934 -6.987 1.00 0.24 H new ATOM 0 HB3 ASP B 200 -2.228 -5.035 -8.063 1.00 0.24 H new ATOM 937 N LEU B 201 -0.978 -5.141 -4.941 1.00 0.12 N ATOM 938 CA LEU B 201 -0.368 -4.126 -4.089 1.00 0.11 C ATOM 939 C LEU B 201 1.112 -4.452 -3.899 1.00 0.11 C ATOM 940 O LEU B 201 1.981 -3.596 -4.084 1.00 0.13 O ATOM 941 CB LEU B 201 -1.106 -4.091 -2.735 1.00 0.10 C ATOM 942 CG LEU B 201 -0.969 -2.813 -1.889 1.00 0.10 C ATOM 943 CD1 LEU B 201 0.437 -2.659 -1.333 1.00 0.17 C ATOM 944 CD2 LEU B 201 -1.362 -1.587 -2.700 1.00 0.13 C ATOM 0 H LEU B 201 -1.753 -5.640 -4.505 1.00 0.12 H new ATOM 0 HA LEU B 201 -0.448 -3.143 -4.553 1.00 0.11 H new ATOM 0 HB2 LEU B 201 -2.166 -4.258 -2.924 1.00 0.10 H new ATOM 0 HB3 LEU B 201 -0.753 -4.931 -2.137 1.00 0.10 H new ATOM 0 HG LEU B 201 -1.651 -2.903 -1.043 1.00 0.10 H new ATOM 0 HD11 LEU B 201 0.496 -1.746 -0.741 1.00 0.17 H new ATOM 0 HD12 LEU B 201 0.675 -3.516 -0.703 1.00 0.17 H new ATOM 0 HD13 LEU B 201 1.150 -2.605 -2.156 1.00 0.17 H new ATOM 0 HD21 LEU B 201 -1.258 -0.694 -2.083 1.00 0.13 H new ATOM 0 HD22 LEU B 201 -0.713 -1.504 -3.571 1.00 0.13 H new ATOM 0 HD23 LEU B 201 -2.397 -1.684 -3.027 1.00 0.13 H new ATOM 956 N GLN B 202 1.395 -5.709 -3.578 1.00 0.11 N ATOM 957 CA GLN B 202 2.766 -6.166 -3.460 1.00 0.12 C ATOM 958 C GLN B 202 3.456 -6.121 -4.814 1.00 0.12 C ATOM 959 O GLN B 202 4.637 -5.822 -4.895 1.00 0.13 O ATOM 960 CB GLN B 202 2.831 -7.578 -2.886 1.00 0.15 C ATOM 961 CG GLN B 202 4.230 -8.164 -2.913 1.00 0.21 C ATOM 962 CD GLN B 202 4.315 -9.524 -2.263 1.00 0.25 C ATOM 963 OE1 GLN B 202 3.341 -10.271 -2.223 1.00 0.71 O ATOM 964 NE2 GLN B 202 5.490 -9.861 -1.760 1.00 0.40 N ATOM 0 H GLN B 202 0.692 -6.425 -3.396 1.00 0.11 H new ATOM 0 HA GLN B 202 3.284 -5.496 -2.773 1.00 0.12 H new ATOM 0 HB2 GLN B 202 2.469 -7.564 -1.858 1.00 0.15 H new ATOM 0 HB3 GLN B 202 2.161 -8.225 -3.451 1.00 0.15 H new ATOM 0 HG2 GLN B 202 4.565 -8.241 -3.947 1.00 0.21 H new ATOM 0 HG3 GLN B 202 4.913 -7.482 -2.406 1.00 0.21 H new ATOM 0 HE21 GLN B 202 6.274 -9.210 -1.814 1.00 0.40 H new ATOM 0 HE22 GLN B 202 5.613 -10.772 -1.318 1.00 0.40 H new ATOM 973 N GLY B 203 2.707 -6.409 -5.870 1.00 0.14 N ATOM 974 CA GLY B 203 3.251 -6.343 -7.214 1.00 0.16 C ATOM 975 C GLY B 203 3.771 -4.961 -7.553 1.00 0.15 C ATOM 976 O GLY B 203 4.852 -4.815 -8.131 1.00 0.15 O ATOM 0 H GLY B 203 1.727 -6.689 -5.820 1.00 0.14 H new ATOM 0 HA2 GLY B 203 4.059 -7.068 -7.313 1.00 0.16 H new ATOM 0 HA3 GLY B 203 2.480 -6.625 -7.931 1.00 0.16 H new ATOM 980 N PHE B 204 3.013 -3.944 -7.157 1.00 0.15 N ATOM 981 CA PHE B 204 3.408 -2.561 -7.371 1.00 0.17 C ATOM 982 C PHE B 204 4.625 -2.243 -6.523 1.00 0.17 C ATOM 983 O PHE B 204 5.534 -1.536 -6.955 1.00 0.18 O ATOM 984 CB PHE B 204 2.256 -1.612 -7.016 1.00 0.20 C ATOM 985 CG PHE B 204 2.654 -0.161 -7.013 1.00 0.22 C ATOM 986 CD1 PHE B 204 2.823 0.531 -8.201 1.00 1.24 C ATOM 987 CD2 PHE B 204 2.868 0.508 -5.816 1.00 1.19 C ATOM 988 CE1 PHE B 204 3.199 1.862 -8.195 1.00 1.26 C ATOM 989 CE2 PHE B 204 3.242 1.836 -5.805 1.00 1.20 C ATOM 990 CZ PHE B 204 3.409 2.514 -6.994 1.00 0.32 C ATOM 0 H PHE B 204 2.117 -4.055 -6.683 1.00 0.15 H new ATOM 0 HA PHE B 204 3.655 -2.423 -8.424 1.00 0.17 H new ATOM 0 HB2 PHE B 204 1.444 -1.756 -7.729 1.00 0.20 H new ATOM 0 HB3 PHE B 204 1.868 -1.876 -6.032 1.00 0.20 H new ATOM 0 HD1 PHE B 204 2.659 0.026 -9.142 1.00 1.24 H new ATOM 0 HD2 PHE B 204 2.740 -0.018 -4.881 1.00 1.19 H new ATOM 0 HE1 PHE B 204 3.328 2.391 -9.127 1.00 1.26 H new ATOM 0 HE2 PHE B 204 3.404 2.344 -4.866 1.00 1.20 H new ATOM 0 HZ PHE B 204 3.703 3.553 -6.987 1.00 0.32 H new ATOM 1000 N LEU B 205 4.639 -2.791 -5.319 1.00 0.16 N ATOM 1001 CA LEU B 205 5.751 -2.604 -4.403 1.00 0.17 C ATOM 1002 C LEU B 205 7.014 -3.264 -4.949 1.00 0.18 C ATOM 1003 O LEU B 205 8.109 -2.754 -4.771 1.00 0.20 O ATOM 1004 CB LEU B 205 5.405 -3.173 -3.026 1.00 0.17 C ATOM 1005 CG LEU B 205 4.761 -2.197 -2.034 1.00 0.17 C ATOM 1006 CD1 LEU B 205 3.746 -1.292 -2.714 1.00 0.18 C ATOM 1007 CD2 LEU B 205 4.096 -2.970 -0.912 1.00 0.15 C ATOM 0 H LEU B 205 3.886 -3.373 -4.952 1.00 0.16 H new ATOM 0 HA LEU B 205 5.939 -1.535 -4.302 1.00 0.17 H new ATOM 0 HB2 LEU B 205 4.730 -4.017 -3.164 1.00 0.17 H new ATOM 0 HB3 LEU B 205 6.318 -3.565 -2.578 1.00 0.17 H new ATOM 0 HG LEU B 205 5.549 -1.564 -1.627 1.00 0.17 H new ATOM 0 HD11 LEU B 205 3.312 -0.615 -1.978 1.00 0.18 H new ATOM 0 HD12 LEU B 205 4.240 -0.712 -3.493 1.00 0.18 H new ATOM 0 HD13 LEU B 205 2.957 -1.899 -3.158 1.00 0.18 H new ATOM 0 HD21 LEU B 205 3.640 -2.272 -0.210 1.00 0.15 H new ATOM 0 HD22 LEU B 205 3.327 -3.623 -1.326 1.00 0.15 H new ATOM 0 HD23 LEU B 205 4.842 -3.572 -0.393 1.00 0.15 H new ATOM 1019 N GLU B 206 6.853 -4.395 -5.620 1.00 0.17 N ATOM 1020 CA GLU B 206 7.971 -5.085 -6.241 1.00 0.20 C ATOM 1021 C GLU B 206 8.570 -4.234 -7.350 1.00 0.22 C ATOM 1022 O GLU B 206 9.782 -4.047 -7.414 1.00 0.25 O ATOM 1023 CB GLU B 206 7.525 -6.430 -6.819 1.00 0.21 C ATOM 1024 CG GLU B 206 7.110 -7.453 -5.774 1.00 0.24 C ATOM 1025 CD GLU B 206 6.644 -8.752 -6.400 1.00 0.30 C ATOM 1026 OE1 GLU B 206 7.501 -9.570 -6.788 1.00 1.14 O ATOM 1027 OE2 GLU B 206 5.420 -8.957 -6.520 1.00 1.12 O ATOM 0 H GLU B 206 5.952 -4.856 -5.748 1.00 0.17 H new ATOM 0 HA GLU B 206 8.724 -5.261 -5.473 1.00 0.20 H new ATOM 0 HB2 GLU B 206 6.689 -6.261 -7.498 1.00 0.21 H new ATOM 0 HB3 GLU B 206 8.339 -6.845 -7.413 1.00 0.21 H new ATOM 0 HG2 GLU B 206 7.950 -7.653 -5.109 1.00 0.24 H new ATOM 0 HG3 GLU B 206 6.310 -7.039 -5.160 1.00 0.24 H new ATOM 1034 N GLN B 207 7.710 -3.720 -8.220 1.00 0.22 N ATOM 1035 CA GLN B 207 8.154 -2.919 -9.355 1.00 0.26 C ATOM 1036 C GLN B 207 8.791 -1.606 -8.901 1.00 0.27 C ATOM 1037 O GLN B 207 9.809 -1.176 -9.442 1.00 0.28 O ATOM 1038 CB GLN B 207 6.972 -2.637 -10.286 1.00 0.35 C ATOM 1039 CG GLN B 207 6.298 -3.901 -10.793 1.00 0.41 C ATOM 1040 CD GLN B 207 5.137 -3.622 -11.726 1.00 0.54 C ATOM 1041 OE1 GLN B 207 3.992 -3.480 -11.291 1.00 0.79 O ATOM 1042 NE2 GLN B 207 5.419 -3.540 -13.015 1.00 1.13 N ATOM 0 H GLN B 207 6.699 -3.843 -8.162 1.00 0.22 H new ATOM 0 HA GLN B 207 8.913 -3.487 -9.892 1.00 0.26 H new ATOM 0 HB2 GLN B 207 6.238 -2.028 -9.758 1.00 0.35 H new ATOM 0 HB3 GLN B 207 7.319 -2.051 -11.137 1.00 0.35 H new ATOM 0 HG2 GLN B 207 7.034 -4.515 -11.312 1.00 0.41 H new ATOM 0 HG3 GLN B 207 5.941 -4.482 -9.942 1.00 0.41 H new ATOM 0 HE21 GLN B 207 6.379 -3.663 -13.336 1.00 1.13 H new ATOM 0 HE22 GLN B 207 4.676 -3.353 -13.689 1.00 1.13 H new ATOM 1051 N ARG B 208 8.183 -0.977 -7.909 1.00 0.29 N ATOM 1052 CA ARG B 208 8.645 0.313 -7.414 1.00 0.35 C ATOM 1053 C ARG B 208 9.918 0.167 -6.574 1.00 0.36 C ATOM 1054 O ARG B 208 10.906 0.867 -6.793 1.00 0.42 O ATOM 1055 CB ARG B 208 7.537 0.956 -6.580 1.00 0.40 C ATOM 1056 CG ARG B 208 7.670 2.458 -6.411 1.00 0.71 C ATOM 1057 CD ARG B 208 7.552 3.183 -7.742 1.00 0.48 C ATOM 1058 NE ARG B 208 7.272 4.606 -7.560 1.00 1.26 N ATOM 1059 CZ ARG B 208 6.334 5.274 -8.232 1.00 1.29 C ATOM 1060 NH1 ARG B 208 5.650 4.682 -9.206 1.00 1.59 N ATOM 1061 NH2 ARG B 208 6.100 6.547 -7.944 1.00 1.98 N ATOM 0 H ARG B 208 7.362 -1.341 -7.426 1.00 0.29 H new ATOM 0 HA ARG B 208 8.884 0.947 -8.268 1.00 0.35 H new ATOM 0 HB2 ARG B 208 6.576 0.739 -7.046 1.00 0.40 H new ATOM 0 HB3 ARG B 208 7.525 0.491 -5.594 1.00 0.40 H new ATOM 0 HG2 ARG B 208 6.899 2.818 -5.730 1.00 0.71 H new ATOM 0 HG3 ARG B 208 8.632 2.690 -5.954 1.00 0.71 H new ATOM 0 HD2 ARG B 208 8.478 3.063 -8.305 1.00 0.48 H new ATOM 0 HD3 ARG B 208 6.758 2.729 -8.335 1.00 0.48 H new ATOM 0 HE ARG B 208 7.829 5.120 -6.877 1.00 1.26 H new ATOM 0 HH11 ARG B 208 5.841 3.709 -9.445 1.00 1.59 H new ATOM 0 HH12 ARG B 208 4.934 5.201 -9.715 1.00 1.59 H new ATOM 0 HH21 ARG B 208 6.637 7.011 -7.211 1.00 1.98 H new ATOM 0 HH22 ARG B 208 5.383 7.062 -8.455 1.00 1.98 H new ATOM 1075 N LEU B 209 9.876 -0.740 -5.609 1.00 0.33 N ATOM 1076 CA LEU B 209 10.979 -0.931 -4.668 1.00 0.36 C ATOM 1077 C LEU B 209 12.118 -1.725 -5.278 1.00 0.39 C ATOM 1078 O LEU B 209 13.257 -1.641 -4.816 1.00 0.45 O ATOM 1079 CB LEU B 209 10.498 -1.646 -3.404 1.00 0.33 C ATOM 1080 CG LEU B 209 9.767 -0.783 -2.369 1.00 0.33 C ATOM 1081 CD1 LEU B 209 8.613 -0.018 -2.994 1.00 0.34 C ATOM 1082 CD2 LEU B 209 9.258 -1.656 -1.241 1.00 0.38 C ATOM 0 H LEU B 209 9.083 -1.363 -5.453 1.00 0.33 H new ATOM 0 HA LEU B 209 11.346 0.063 -4.414 1.00 0.36 H new ATOM 0 HB2 LEU B 209 9.834 -2.458 -3.702 1.00 0.33 H new ATOM 0 HB3 LEU B 209 11.362 -2.102 -2.920 1.00 0.33 H new ATOM 0 HG LEU B 209 10.477 -0.054 -1.977 1.00 0.33 H new ATOM 0 HD11 LEU B 209 8.119 0.582 -2.230 1.00 0.34 H new ATOM 0 HD12 LEU B 209 8.993 0.635 -3.780 1.00 0.34 H new ATOM 0 HD13 LEU B 209 7.899 -0.722 -3.421 1.00 0.34 H new ATOM 0 HD21 LEU B 209 8.739 -1.038 -0.508 1.00 0.38 H new ATOM 0 HD22 LEU B 209 8.569 -2.401 -1.640 1.00 0.38 H new ATOM 0 HD23 LEU B 209 10.098 -2.158 -0.762 1.00 0.38 H new ATOM 1094 N LYS B 210 11.793 -2.490 -6.317 1.00 0.36 N ATOM 1095 CA LYS B 210 12.751 -3.366 -6.979 1.00 0.40 C ATOM 1096 C LYS B 210 13.255 -4.433 -6.015 1.00 0.38 C ATOM 1097 O LYS B 210 14.401 -4.881 -6.112 1.00 0.42 O ATOM 1098 CB LYS B 210 13.924 -2.561 -7.547 1.00 0.49 C ATOM 1099 CG LYS B 210 13.528 -1.592 -8.646 1.00 0.90 C ATOM 1100 CD LYS B 210 12.951 -2.320 -9.849 1.00 1.06 C ATOM 1101 CE LYS B 210 12.625 -1.361 -10.979 1.00 1.62 C ATOM 1102 NZ LYS B 210 13.838 -0.683 -11.506 1.00 2.19 N ATOM 0 H LYS B 210 10.857 -2.519 -6.722 1.00 0.36 H new ATOM 0 HA LYS B 210 12.243 -3.859 -7.808 1.00 0.40 H new ATOM 0 HB2 LYS B 210 14.396 -2.004 -6.737 1.00 0.49 H new ATOM 0 HB3 LYS B 210 14.672 -3.252 -7.937 1.00 0.49 H new ATOM 0 HG2 LYS B 210 12.794 -0.884 -8.261 1.00 0.90 H new ATOM 0 HG3 LYS B 210 14.399 -1.013 -8.953 1.00 0.90 H new ATOM 0 HD2 LYS B 210 13.664 -3.067 -10.199 1.00 1.06 H new ATOM 0 HD3 LYS B 210 12.048 -2.855 -9.553 1.00 1.06 H new ATOM 0 HE2 LYS B 210 12.136 -1.906 -11.786 1.00 1.62 H new ATOM 0 HE3 LYS B 210 11.917 -0.612 -10.625 1.00 1.62 H new ATOM 0 HZ1 LYS B 210 13.614 -0.227 -12.414 1.00 2.19 H new ATOM 0 HZ2 LYS B 210 14.156 0.037 -10.826 1.00 2.19 H new ATOM 0 HZ3 LYS B 210 14.594 -1.384 -11.647 1.00 2.19 H new ATOM 1116 N ASP B 211 12.387 -4.851 -5.098 1.00 0.34 N ATOM 1117 CA ASP B 211 12.766 -5.802 -4.060 1.00 0.34 C ATOM 1118 C ASP B 211 11.533 -6.521 -3.522 1.00 0.31 C ATOM 1119 O ASP B 211 10.616 -5.893 -2.992 1.00 0.31 O ATOM 1120 CB ASP B 211 13.486 -5.082 -2.919 1.00 0.37 C ATOM 1121 CG ASP B 211 14.057 -6.048 -1.901 1.00 0.39 C ATOM 1122 OD1 ASP B 211 15.214 -6.487 -2.075 1.00 1.11 O ATOM 1123 OD2 ASP B 211 13.357 -6.375 -0.925 1.00 1.06 O ATOM 0 H ASP B 211 11.415 -4.545 -5.054 1.00 0.34 H new ATOM 0 HA ASP B 211 13.441 -6.538 -4.497 1.00 0.34 H new ATOM 0 HB2 ASP B 211 14.290 -4.471 -3.328 1.00 0.37 H new ATOM 0 HB3 ASP B 211 12.791 -4.404 -2.424 1.00 0.37 H new ATOM 1128 N TYR B 212 11.518 -7.838 -3.678 1.00 0.30 N ATOM 1129 CA TYR B 212 10.386 -8.657 -3.260 1.00 0.29 C ATOM 1130 C TYR B 212 10.253 -8.696 -1.740 1.00 0.30 C ATOM 1131 O TYR B 212 9.141 -8.695 -1.212 1.00 0.29 O ATOM 1132 CB TYR B 212 10.513 -10.083 -3.803 1.00 0.32 C ATOM 1133 CG TYR B 212 9.376 -10.988 -3.380 1.00 0.37 C ATOM 1134 CD1 TYR B 212 8.191 -11.024 -4.099 1.00 1.12 C ATOM 1135 CD2 TYR B 212 9.484 -11.796 -2.255 1.00 1.35 C ATOM 1136 CE1 TYR B 212 7.146 -11.839 -3.712 1.00 1.15 C ATOM 1137 CE2 TYR B 212 8.443 -12.612 -1.860 1.00 1.41 C ATOM 1138 CZ TYR B 212 7.277 -12.630 -2.593 1.00 0.60 C ATOM 1139 OH TYR B 212 6.231 -13.435 -2.202 1.00 0.74 O ATOM 0 H TYR B 212 12.284 -8.367 -4.095 1.00 0.30 H new ATOM 0 HA TYR B 212 9.488 -8.197 -3.673 1.00 0.29 H new ATOM 0 HB2 TYR B 212 10.554 -10.048 -4.892 1.00 0.32 H new ATOM 0 HB3 TYR B 212 11.455 -10.512 -3.462 1.00 0.32 H new ATOM 0 HD1 TYR B 212 8.084 -10.404 -4.977 1.00 1.12 H new ATOM 0 HD2 TYR B 212 10.398 -11.786 -1.680 1.00 1.35 H new ATOM 0 HE1 TYR B 212 6.230 -11.856 -4.284 1.00 1.15 H new ATOM 0 HE2 TYR B 212 8.542 -13.232 -0.982 1.00 1.41 H new ATOM 0 HH TYR B 212 6.483 -13.930 -1.395 1.00 0.74 H new ATOM 1149 N ASP B 213 11.381 -8.736 -1.048 1.00 0.34 N ATOM 1150 CA ASP B 213 11.388 -8.877 0.404 1.00 0.38 C ATOM 1151 C ASP B 213 10.738 -7.676 1.072 1.00 0.33 C ATOM 1152 O ASP B 213 9.856 -7.825 1.918 1.00 0.30 O ATOM 1153 CB ASP B 213 12.815 -9.047 0.924 1.00 0.49 C ATOM 1154 CG ASP B 213 12.872 -9.158 2.435 1.00 1.14 C ATOM 1155 OD1 ASP B 213 12.594 -10.259 2.967 1.00 1.62 O ATOM 1156 OD2 ASP B 213 13.196 -8.152 3.101 1.00 2.00 O ATOM 0 H ASP B 213 12.308 -8.673 -1.468 1.00 0.34 H new ATOM 0 HA ASP B 213 10.812 -9.768 0.652 1.00 0.38 H new ATOM 0 HB2 ASP B 213 13.256 -9.940 0.480 1.00 0.49 H new ATOM 0 HB3 ASP B 213 13.419 -8.199 0.602 1.00 0.49 H new ATOM 1161 N GLU B 214 11.165 -6.488 0.671 1.00 0.34 N ATOM 1162 CA GLU B 214 10.634 -5.259 1.235 1.00 0.34 C ATOM 1163 C GLU B 214 9.185 -5.070 0.804 1.00 0.26 C ATOM 1164 O GLU B 214 8.367 -4.517 1.540 1.00 0.25 O ATOM 1165 CB GLU B 214 11.477 -4.064 0.794 1.00 0.44 C ATOM 1166 CG GLU B 214 11.262 -2.822 1.643 1.00 0.56 C ATOM 1167 CD GLU B 214 11.625 -3.051 3.096 1.00 0.75 C ATOM 1168 OE1 GLU B 214 12.816 -3.291 3.383 1.00 1.48 O ATOM 1169 OE2 GLU B 214 10.725 -3.004 3.956 1.00 1.25 O ATOM 0 H GLU B 214 11.879 -6.350 -0.044 1.00 0.34 H new ATOM 0 HA GLU B 214 10.672 -5.327 2.322 1.00 0.34 H new ATOM 0 HB2 GLU B 214 12.531 -4.340 0.830 1.00 0.44 H new ATOM 0 HB3 GLU B 214 11.244 -3.829 -0.245 1.00 0.44 H new ATOM 0 HG2 GLU B 214 11.862 -2.004 1.245 1.00 0.56 H new ATOM 0 HG3 GLU B 214 10.219 -2.514 1.575 1.00 0.56 H new ATOM 1176 N ALA B 215 8.867 -5.568 -0.384 1.00 0.21 N ATOM 1177 CA ALA B 215 7.512 -5.490 -0.906 1.00 0.17 C ATOM 1178 C ALA B 215 6.581 -6.362 -0.076 1.00 0.16 C ATOM 1179 O ALA B 215 5.436 -6.001 0.193 1.00 0.15 O ATOM 1180 CB ALA B 215 7.483 -5.922 -2.365 1.00 0.16 C ATOM 0 H ALA B 215 9.532 -6.031 -1.004 1.00 0.21 H new ATOM 0 HA ALA B 215 7.170 -4.457 -0.844 1.00 0.17 H new ATOM 0 HB1 ALA B 215 6.463 -5.859 -2.743 1.00 0.16 H new ATOM 0 HB2 ALA B 215 8.128 -5.268 -2.951 1.00 0.16 H new ATOM 0 HB3 ALA B 215 7.837 -6.950 -2.447 1.00 0.16 H new ATOM 1186 N ASN B 216 7.093 -7.511 0.336 1.00 0.17 N ATOM 1187 CA ASN B 216 6.346 -8.431 1.175 1.00 0.19 C ATOM 1188 C ASN B 216 6.163 -7.838 2.560 1.00 0.18 C ATOM 1189 O ASN B 216 5.066 -7.869 3.117 1.00 0.19 O ATOM 1190 CB ASN B 216 7.077 -9.771 1.273 1.00 0.22 C ATOM 1191 CG ASN B 216 6.277 -10.828 2.015 1.00 0.33 C ATOM 1192 OD1 ASN B 216 4.963 -10.819 1.841 1.00 0.63 O flip ATOM 1193 ND2 ASN B 216 6.838 -11.657 2.728 1.00 0.35 N flip ATOM 0 H ASN B 216 8.033 -7.830 0.099 1.00 0.17 H new ATOM 0 HA ASN B 216 5.366 -8.598 0.727 1.00 0.19 H new ATOM 0 HB2 ASN B 216 7.302 -10.131 0.269 1.00 0.22 H new ATOM 0 HB3 ASN B 216 8.031 -9.623 1.779 1.00 0.22 H new ATOM 0 HD21 ASN B 216 7.852 -11.633 2.838 1.00 0.35 H new ATOM 0 HD22 ASN B 216 6.290 -12.370 3.210 1.00 0.35 H new ATOM 1200 N LYS B 217 7.240 -7.274 3.095 1.00 0.19 N ATOM 1201 CA LYS B 217 7.214 -6.642 4.405 1.00 0.19 C ATOM 1202 C LYS B 217 6.184 -5.527 4.451 1.00 0.17 C ATOM 1203 O LYS B 217 5.454 -5.382 5.431 1.00 0.18 O ATOM 1204 CB LYS B 217 8.593 -6.083 4.746 1.00 0.22 C ATOM 1205 CG LYS B 217 9.596 -7.139 5.176 1.00 0.26 C ATOM 1206 CD LYS B 217 10.999 -6.560 5.310 1.00 0.37 C ATOM 1207 CE LYS B 217 11.036 -5.350 6.232 1.00 1.15 C ATOM 1208 NZ LYS B 217 10.542 -5.661 7.602 1.00 1.97 N ATOM 0 H LYS B 217 8.150 -7.243 2.635 1.00 0.19 H new ATOM 0 HA LYS B 217 6.938 -7.398 5.140 1.00 0.19 H new ATOM 0 HB2 LYS B 217 8.986 -5.556 3.877 1.00 0.22 H new ATOM 0 HB3 LYS B 217 8.489 -5.348 5.544 1.00 0.22 H new ATOM 0 HG2 LYS B 217 9.287 -7.568 6.129 1.00 0.26 H new ATOM 0 HG3 LYS B 217 9.605 -7.951 4.448 1.00 0.26 H new ATOM 0 HD2 LYS B 217 11.672 -7.327 5.693 1.00 0.37 H new ATOM 0 HD3 LYS B 217 11.368 -6.275 4.325 1.00 0.37 H new ATOM 0 HE2 LYS B 217 12.058 -4.976 6.294 1.00 1.15 H new ATOM 0 HE3 LYS B 217 10.430 -4.552 5.803 1.00 1.15 H new ATOM 0 HZ1 LYS B 217 10.651 -4.823 8.209 1.00 1.97 H new ATOM 0 HZ2 LYS B 217 9.538 -5.928 7.557 1.00 1.97 H new ATOM 0 HZ3 LYS B 217 11.092 -6.449 7.999 1.00 1.97 H new ATOM 1222 N LEU B 218 6.119 -4.751 3.381 1.00 0.15 N ATOM 1223 CA LEU B 218 5.174 -3.654 3.308 1.00 0.15 C ATOM 1224 C LEU B 218 3.762 -4.175 3.108 1.00 0.13 C ATOM 1225 O LEU B 218 2.818 -3.622 3.647 1.00 0.13 O ATOM 1226 CB LEU B 218 5.542 -2.676 2.203 1.00 0.15 C ATOM 1227 CG LEU B 218 6.732 -1.767 2.500 1.00 0.17 C ATOM 1228 CD1 LEU B 218 6.972 -0.838 1.329 1.00 0.20 C ATOM 1229 CD2 LEU B 218 6.498 -0.967 3.777 1.00 0.19 C ATOM 0 H LEU B 218 6.708 -4.861 2.555 1.00 0.15 H new ATOM 0 HA LEU B 218 5.216 -3.118 4.256 1.00 0.15 H new ATOM 0 HB2 LEU B 218 5.757 -3.242 1.297 1.00 0.15 H new ATOM 0 HB3 LEU B 218 4.674 -2.052 1.990 1.00 0.15 H new ATOM 0 HG LEU B 218 7.616 -2.387 2.649 1.00 0.17 H new ATOM 0 HD11 LEU B 218 7.822 -0.191 1.546 1.00 0.20 H new ATOM 0 HD12 LEU B 218 7.182 -1.426 0.435 1.00 0.20 H new ATOM 0 HD13 LEU B 218 6.085 -0.227 1.161 1.00 0.20 H new ATOM 0 HD21 LEU B 218 7.359 -0.327 3.968 1.00 0.19 H new ATOM 0 HD22 LEU B 218 5.606 -0.351 3.662 1.00 0.19 H new ATOM 0 HD23 LEU B 218 6.361 -1.651 4.615 1.00 0.19 H new ATOM 1241 N ARG B 219 3.622 -5.244 2.332 1.00 0.13 N ATOM 1242 CA ARG B 219 2.313 -5.844 2.098 1.00 0.13 C ATOM 1243 C ARG B 219 1.700 -6.301 3.416 1.00 0.13 C ATOM 1244 O ARG B 219 0.523 -6.062 3.684 1.00 0.12 O ATOM 1245 CB ARG B 219 2.421 -7.038 1.149 1.00 0.13 C ATOM 1246 CG ARG B 219 1.074 -7.520 0.632 1.00 0.19 C ATOM 1247 CD ARG B 219 1.172 -8.909 0.023 1.00 0.17 C ATOM 1248 NE ARG B 219 1.177 -9.959 1.043 1.00 0.54 N ATOM 1249 CZ ARG B 219 1.377 -11.251 0.780 1.00 0.79 C ATOM 1250 NH1 ARG B 219 1.693 -11.645 -0.448 1.00 0.61 N ATOM 1251 NH2 ARG B 219 1.286 -12.147 1.753 1.00 1.29 N ATOM 0 H ARG B 219 4.394 -5.711 1.856 1.00 0.13 H new ATOM 0 HA ARG B 219 1.674 -5.088 1.641 1.00 0.13 H new ATOM 0 HB2 ARG B 219 3.050 -6.764 0.302 1.00 0.13 H new ATOM 0 HB3 ARG B 219 2.919 -7.859 1.665 1.00 0.13 H new ATOM 0 HG2 ARG B 219 0.353 -7.531 1.449 1.00 0.19 H new ATOM 0 HG3 ARG B 219 0.699 -6.820 -0.115 1.00 0.19 H new ATOM 0 HD2 ARG B 219 0.333 -9.067 -0.655 1.00 0.17 H new ATOM 0 HD3 ARG B 219 2.082 -8.979 -0.573 1.00 0.17 H new ATOM 0 HE ARG B 219 1.018 -9.686 2.013 1.00 0.54 H new ATOM 0 HH11 ARG B 219 1.784 -10.958 -1.196 1.00 0.61 H new ATOM 0 HH12 ARG B 219 1.845 -12.635 -0.643 1.00 0.61 H new ATOM 0 HH21 ARG B 219 1.063 -11.848 2.702 1.00 1.29 H new ATOM 0 HH22 ARG B 219 1.439 -13.135 1.552 1.00 1.29 H new ATOM 1265 N VAL B 220 2.524 -6.925 4.249 1.00 0.13 N ATOM 1266 CA VAL B 220 2.070 -7.436 5.534 1.00 0.14 C ATOM 1267 C VAL B 220 1.782 -6.274 6.470 1.00 0.14 C ATOM 1268 O VAL B 220 0.733 -6.206 7.098 1.00 0.16 O ATOM 1269 CB VAL B 220 3.119 -8.364 6.183 1.00 0.16 C ATOM 1270 CG1 VAL B 220 2.623 -8.887 7.523 1.00 0.19 C ATOM 1271 CG2 VAL B 220 3.466 -9.517 5.257 1.00 0.16 C ATOM 0 H VAL B 220 3.512 -7.089 4.056 1.00 0.13 H new ATOM 0 HA VAL B 220 1.164 -8.017 5.361 1.00 0.14 H new ATOM 0 HB VAL B 220 4.023 -7.780 6.357 1.00 0.16 H new ATOM 0 HG11 VAL B 220 3.379 -9.539 7.962 1.00 0.19 H new ATOM 0 HG12 VAL B 220 2.434 -8.049 8.193 1.00 0.19 H new ATOM 0 HG13 VAL B 220 1.701 -9.449 7.375 1.00 0.19 H new ATOM 0 HG21 VAL B 220 4.207 -10.158 5.735 1.00 0.16 H new ATOM 0 HG22 VAL B 220 2.568 -10.097 5.045 1.00 0.16 H new ATOM 0 HG23 VAL B 220 3.873 -9.125 4.325 1.00 0.16 H new ATOM 1281 N LEU B 221 2.722 -5.343 6.509 1.00 0.12 N ATOM 1282 CA LEU B 221 2.637 -4.179 7.378 1.00 0.13 C ATOM 1283 C LEU B 221 1.370 -3.377 7.090 1.00 0.11 C ATOM 1284 O LEU B 221 0.609 -3.037 8.000 1.00 0.12 O ATOM 1285 CB LEU B 221 3.871 -3.303 7.169 1.00 0.15 C ATOM 1286 CG LEU B 221 3.908 -2.004 7.969 1.00 0.16 C ATOM 1287 CD1 LEU B 221 3.965 -2.290 9.462 1.00 0.20 C ATOM 1288 CD2 LEU B 221 5.100 -1.168 7.538 1.00 0.25 C ATOM 0 H LEU B 221 3.567 -5.373 5.938 1.00 0.12 H new ATOM 0 HA LEU B 221 2.596 -4.515 8.414 1.00 0.13 H new ATOM 0 HB2 LEU B 221 4.755 -3.888 7.421 1.00 0.15 H new ATOM 0 HB3 LEU B 221 3.943 -3.057 6.110 1.00 0.15 H new ATOM 0 HG LEU B 221 2.994 -1.444 7.770 1.00 0.16 H new ATOM 0 HD11 LEU B 221 3.991 -1.349 10.012 1.00 0.20 H new ATOM 0 HD12 LEU B 221 3.084 -2.859 9.757 1.00 0.20 H new ATOM 0 HD13 LEU B 221 4.862 -2.867 9.688 1.00 0.20 H new ATOM 0 HD21 LEU B 221 5.122 -0.242 8.112 1.00 0.25 H new ATOM 0 HD22 LEU B 221 6.019 -1.726 7.715 1.00 0.25 H new ATOM 0 HD23 LEU B 221 5.016 -0.935 6.477 1.00 0.25 H new ATOM 1300 N PHE B 222 1.146 -3.106 5.815 1.00 0.10 N ATOM 1301 CA PHE B 222 -0.003 -2.330 5.379 1.00 0.10 C ATOM 1302 C PHE B 222 -1.290 -3.102 5.618 1.00 0.10 C ATOM 1303 O PHE B 222 -2.305 -2.520 5.984 1.00 0.11 O ATOM 1304 CB PHE B 222 0.112 -1.974 3.893 1.00 0.10 C ATOM 1305 CG PHE B 222 1.266 -1.067 3.549 1.00 0.10 C ATOM 1306 CD1 PHE B 222 2.025 -0.463 4.540 1.00 1.16 C ATOM 1307 CD2 PHE B 222 1.587 -0.818 2.223 1.00 1.23 C ATOM 1308 CE1 PHE B 222 3.077 0.366 4.217 1.00 1.16 C ATOM 1309 CE2 PHE B 222 2.640 0.013 1.893 1.00 1.24 C ATOM 1310 CZ PHE B 222 3.386 0.605 2.892 1.00 0.12 C ATOM 0 H PHE B 222 1.753 -3.416 5.056 1.00 0.10 H new ATOM 0 HA PHE B 222 -0.024 -1.409 5.962 1.00 0.10 H new ATOM 0 HB2 PHE B 222 0.209 -2.896 3.319 1.00 0.10 H new ATOM 0 HB3 PHE B 222 -0.815 -1.496 3.575 1.00 0.10 H new ATOM 0 HD1 PHE B 222 1.789 -0.645 5.578 1.00 1.16 H new ATOM 0 HD2 PHE B 222 1.006 -1.280 1.438 1.00 1.23 H new ATOM 0 HE1 PHE B 222 3.660 0.829 5.000 1.00 1.16 H new ATOM 0 HE2 PHE B 222 2.879 0.199 0.856 1.00 1.24 H new ATOM 0 HZ PHE B 222 4.211 1.255 2.638 1.00 0.12 H new ATOM 1320 N LYS B 223 -1.244 -4.413 5.419 1.00 0.10 N ATOM 1321 CA LYS B 223 -2.424 -5.243 5.608 1.00 0.11 C ATOM 1322 C LYS B 223 -2.815 -5.306 7.078 1.00 0.12 C ATOM 1323 O LYS B 223 -3.997 -5.349 7.409 1.00 0.14 O ATOM 1324 CB LYS B 223 -2.201 -6.651 5.062 1.00 0.12 C ATOM 1325 CG LYS B 223 -3.470 -7.478 5.030 1.00 0.13 C ATOM 1326 CD LYS B 223 -3.244 -8.823 4.368 1.00 0.20 C ATOM 1327 CE LYS B 223 -4.543 -9.592 4.238 1.00 0.24 C ATOM 1328 NZ LYS B 223 -4.334 -10.939 3.648 1.00 0.35 N ATOM 0 H LYS B 223 -0.408 -4.921 5.129 1.00 0.10 H new ATOM 0 HA LYS B 223 -3.241 -4.784 5.051 1.00 0.11 H new ATOM 0 HB2 LYS B 223 -1.791 -6.584 4.054 1.00 0.12 H new ATOM 0 HB3 LYS B 223 -1.457 -7.160 5.675 1.00 0.12 H new ATOM 0 HG2 LYS B 223 -3.832 -7.629 6.047 1.00 0.13 H new ATOM 0 HG3 LYS B 223 -4.246 -6.933 4.493 1.00 0.13 H new ATOM 0 HD2 LYS B 223 -2.804 -8.677 3.382 1.00 0.20 H new ATOM 0 HD3 LYS B 223 -2.531 -9.404 4.952 1.00 0.20 H new ATOM 0 HE2 LYS B 223 -5.004 -9.694 5.220 1.00 0.24 H new ATOM 0 HE3 LYS B 223 -5.238 -9.028 3.616 1.00 0.24 H new ATOM 0 HZ1 LYS B 223 -5.247 -11.432 3.576 1.00 0.35 H new ATOM 0 HZ2 LYS B 223 -3.918 -10.842 2.700 1.00 0.35 H new ATOM 0 HZ3 LYS B 223 -3.691 -11.487 4.254 1.00 0.35 H new ATOM 1342 N GLU B 224 -1.823 -5.283 7.957 1.00 0.12 N ATOM 1343 CA GLU B 224 -2.078 -5.304 9.391 1.00 0.14 C ATOM 1344 C GLU B 224 -2.570 -3.937 9.844 1.00 0.14 C ATOM 1345 O GLU B 224 -3.341 -3.814 10.800 1.00 0.16 O ATOM 1346 CB GLU B 224 -0.815 -5.692 10.162 1.00 0.17 C ATOM 1347 CG GLU B 224 -0.257 -7.055 9.782 1.00 0.24 C ATOM 1348 CD GLU B 224 -1.272 -8.169 9.928 1.00 1.36 C ATOM 1349 OE1 GLU B 224 -1.691 -8.445 11.071 1.00 1.92 O ATOM 1350 OE2 GLU B 224 -1.654 -8.773 8.902 1.00 2.27 O ATOM 0 H GLU B 224 -0.836 -5.250 7.703 1.00 0.12 H new ATOM 0 HA GLU B 224 -2.845 -6.050 9.598 1.00 0.14 H new ATOM 0 HB2 GLU B 224 -0.049 -4.936 9.990 1.00 0.17 H new ATOM 0 HB3 GLU B 224 -1.036 -5.685 11.229 1.00 0.17 H new ATOM 0 HG2 GLU B 224 0.094 -7.023 8.751 1.00 0.24 H new ATOM 0 HG3 GLU B 224 0.609 -7.275 10.407 1.00 0.24 H new ATOM 1357 N ALA B 225 -2.129 -2.907 9.134 1.00 0.14 N ATOM 1358 CA ALA B 225 -2.608 -1.556 9.372 1.00 0.15 C ATOM 1359 C ALA B 225 -4.067 -1.464 8.965 1.00 0.15 C ATOM 1360 O ALA B 225 -4.887 -0.862 9.655 1.00 0.16 O ATOM 1361 CB ALA B 225 -1.777 -0.552 8.594 1.00 0.15 C ATOM 0 H ALA B 225 -1.439 -2.984 8.387 1.00 0.14 H new ATOM 0 HA ALA B 225 -2.513 -1.323 10.433 1.00 0.15 H new ATOM 0 HB1 ALA B 225 -2.150 0.454 8.784 1.00 0.15 H new ATOM 0 HB2 ALA B 225 -0.736 -0.619 8.910 1.00 0.15 H new ATOM 0 HB3 ALA B 225 -1.847 -0.769 7.528 1.00 0.15 H new ATOM 1367 N TRP B 226 -4.380 -2.110 7.850 1.00 0.15 N ATOM 1368 CA TRP B 226 -5.737 -2.180 7.342 1.00 0.16 C ATOM 1369 C TRP B 226 -6.613 -2.966 8.308 1.00 0.17 C ATOM 1370 O TRP B 226 -7.770 -2.620 8.540 1.00 0.19 O ATOM 1371 CB TRP B 226 -5.725 -2.829 5.954 1.00 0.16 C ATOM 1372 CG TRP B 226 -7.078 -3.194 5.444 1.00 0.15 C ATOM 1373 CD1 TRP B 226 -8.063 -2.344 5.043 1.00 0.16 C ATOM 1374 CD2 TRP B 226 -7.587 -4.516 5.274 1.00 0.15 C ATOM 1375 NE1 TRP B 226 -9.162 -3.058 4.638 1.00 0.17 N ATOM 1376 CE2 TRP B 226 -8.893 -4.396 4.771 1.00 0.16 C ATOM 1377 CE3 TRP B 226 -7.065 -5.790 5.503 1.00 0.16 C ATOM 1378 CZ2 TRP B 226 -9.683 -5.504 4.489 1.00 0.17 C ATOM 1379 CZ3 TRP B 226 -7.849 -6.889 5.223 1.00 0.18 C ATOM 1380 CH2 TRP B 226 -9.147 -6.741 4.721 1.00 0.18 C ATOM 0 H TRP B 226 -3.696 -2.600 7.273 1.00 0.15 H new ATOM 0 HA TRP B 226 -6.151 -1.176 7.253 1.00 0.16 H new ATOM 0 HB2 TRP B 226 -5.254 -2.145 5.248 1.00 0.16 H new ATOM 0 HB3 TRP B 226 -5.107 -3.726 5.989 1.00 0.16 H new ATOM 0 HD1 TRP B 226 -7.990 -1.266 5.044 1.00 0.16 H new ATOM 0 HE1 TRP B 226 -10.036 -2.659 4.294 1.00 0.17 H new ATOM 0 HE3 TRP B 226 -6.065 -5.913 5.892 1.00 0.16 H new ATOM 0 HZ2 TRP B 226 -10.685 -5.392 4.100 1.00 0.17 H new ATOM 0 HZ3 TRP B 226 -7.455 -7.880 5.394 1.00 0.18 H new ATOM 0 HH2 TRP B 226 -9.737 -7.621 4.513 1.00 0.18 H new ATOM 1391 N ARG B 227 -6.047 -4.021 8.878 1.00 0.18 N ATOM 1392 CA ARG B 227 -6.720 -4.780 9.919 1.00 0.21 C ATOM 1393 C ARG B 227 -7.048 -3.881 11.102 1.00 0.24 C ATOM 1394 O ARG B 227 -8.135 -3.962 11.672 1.00 0.25 O ATOM 1395 CB ARG B 227 -5.851 -5.948 10.385 1.00 0.24 C ATOM 1396 CG ARG B 227 -5.676 -7.048 9.352 1.00 0.27 C ATOM 1397 CD ARG B 227 -6.996 -7.713 9.021 1.00 0.38 C ATOM 1398 NE ARG B 227 -6.829 -8.841 8.107 1.00 0.98 N ATOM 1399 CZ ARG B 227 -7.839 -9.471 7.509 1.00 1.26 C ATOM 1400 NH1 ARG B 227 -9.089 -9.079 7.727 1.00 0.71 N ATOM 1401 NH2 ARG B 227 -7.602 -10.497 6.698 1.00 2.25 N ATOM 0 H ARG B 227 -5.120 -4.370 8.635 1.00 0.18 H new ATOM 0 HA ARG B 227 -7.646 -5.176 9.503 1.00 0.21 H new ATOM 0 HB2 ARG B 227 -4.868 -5.566 10.662 1.00 0.24 H new ATOM 0 HB3 ARG B 227 -6.292 -6.377 11.285 1.00 0.24 H new ATOM 0 HG2 ARG B 227 -5.240 -6.630 8.444 1.00 0.27 H new ATOM 0 HG3 ARG B 227 -4.976 -7.794 9.728 1.00 0.27 H new ATOM 0 HD2 ARG B 227 -7.468 -8.059 9.941 1.00 0.38 H new ATOM 0 HD3 ARG B 227 -7.668 -6.981 8.574 1.00 0.38 H new ATOM 0 HE ARG B 227 -5.881 -9.166 7.915 1.00 0.98 H new ATOM 0 HH11 ARG B 227 -9.276 -8.295 8.352 1.00 0.71 H new ATOM 0 HH12 ARG B 227 -9.862 -9.562 7.269 1.00 0.71 H new ATOM 0 HH21 ARG B 227 -6.644 -10.805 6.532 1.00 2.25 H new ATOM 0 HH22 ARG B 227 -8.378 -10.977 6.242 1.00 2.25 H new ATOM 1415 N SER B 228 -6.109 -3.010 11.451 1.00 0.28 N ATOM 1416 CA SER B 228 -6.282 -2.095 12.572 1.00 0.33 C ATOM 1417 C SER B 228 -7.259 -0.967 12.230 1.00 0.36 C ATOM 1418 O SER B 228 -7.675 -0.210 13.105 1.00 0.40 O ATOM 1419 CB SER B 228 -4.925 -1.511 12.964 1.00 0.36 C ATOM 1420 OG SER B 228 -3.970 -2.540 13.181 1.00 1.18 O ATOM 0 H SER B 228 -5.214 -2.918 10.970 1.00 0.28 H new ATOM 0 HA SER B 228 -6.701 -2.653 13.409 1.00 0.33 H new ATOM 0 HB2 SER B 228 -4.572 -0.843 12.178 1.00 0.36 H new ATOM 0 HB3 SER B 228 -5.031 -0.912 13.868 1.00 0.36 H new ATOM 0 HG SER B 228 -3.739 -2.957 12.325 1.00 1.18 H new ATOM 1426 N SER B 229 -7.625 -0.862 10.957 1.00 0.34 N ATOM 1427 CA SER B 229 -8.545 0.175 10.506 1.00 0.37 C ATOM 1428 C SER B 229 -9.976 -0.157 10.930 1.00 0.38 C ATOM 1429 O SER B 229 -10.868 0.695 10.878 1.00 0.42 O ATOM 1430 CB SER B 229 -8.460 0.326 8.984 1.00 0.34 C ATOM 1431 OG SER B 229 -9.173 1.464 8.528 1.00 0.93 O ATOM 0 H SER B 229 -7.298 -1.484 10.218 1.00 0.34 H new ATOM 0 HA SER B 229 -8.261 1.120 10.969 1.00 0.37 H new ATOM 0 HB2 SER B 229 -7.415 0.407 8.684 1.00 0.34 H new ATOM 0 HB3 SER B 229 -8.860 -0.569 8.507 1.00 0.34 H new ATOM 0 HG SER B 229 -9.968 1.597 9.085 1.00 0.93 H new ATOM 1437 N PHE B 230 -10.187 -1.395 11.353 1.00 0.36 N ATOM 1438 CA PHE B 230 -11.499 -1.830 11.805 1.00 0.38 C ATOM 1439 C PHE B 230 -11.623 -1.660 13.314 1.00 0.51 C ATOM 1440 O PHE B 230 -11.413 -2.650 14.049 1.00 1.21 O ATOM 1441 CB PHE B 230 -11.747 -3.287 11.418 1.00 0.31 C ATOM 1442 CG PHE B 230 -11.651 -3.539 9.941 1.00 0.30 C ATOM 1443 CD1 PHE B 230 -12.583 -2.998 9.074 1.00 1.21 C ATOM 1444 CD2 PHE B 230 -10.627 -4.314 9.422 1.00 1.21 C ATOM 1445 CE1 PHE B 230 -12.496 -3.224 7.715 1.00 1.22 C ATOM 1446 CE2 PHE B 230 -10.536 -4.543 8.064 1.00 1.27 C ATOM 1447 CZ PHE B 230 -11.473 -3.997 7.209 1.00 0.47 C ATOM 1448 OXT PHE B 230 -11.909 -0.532 13.762 1.00 1.23 O ATOM 0 H PHE B 230 -9.466 -2.115 11.392 1.00 0.36 H new ATOM 0 HA PHE B 230 -12.251 -1.210 11.318 1.00 0.38 H new ATOM 0 HB2 PHE B 230 -11.025 -3.920 11.934 1.00 0.31 H new ATOM 0 HB3 PHE B 230 -12.737 -3.584 11.766 1.00 0.31 H new ATOM 0 HD1 PHE B 230 -13.387 -2.392 9.464 1.00 1.21 H new ATOM 0 HD2 PHE B 230 -9.892 -4.744 10.087 1.00 1.21 H new ATOM 0 HE1 PHE B 230 -13.229 -2.795 7.048 1.00 1.22 H new ATOM 0 HE2 PHE B 230 -9.733 -5.148 7.670 1.00 1.27 H new ATOM 0 HZ PHE B 230 -11.404 -4.175 6.146 1.00 0.47 H new TER 1458 PHE B 230