USER MOD reduce.3.24.130724 H: found=0, std=0, add=340, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 342 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: A 206 ASN : amide:sc= -10.8! C(o=-10!,f=-16!) USER MOD Set 1.2: A 213 SER OG : rot -12:sc= 0.713! USER MOD Set 2.1: A 197 THR OG1 : rot 180:sc= -1.16 USER MOD Set 2.2: A 203 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 194 GLN : amide:sc= -3.14! C(o=-2.1!,f=-11!) USER MOD Set 3.2: A 204 TYR OH : rot -66:sc= 1.01 USER MOD Set 4.1: A 182 SER OG : rot 20:sc= 0.948! USER MOD Set 4.2: A 185 SER OG : rot 180:sc= -0.443 USER MOD Single : A 178 SER OG : rot 77:sc= 1.09 USER MOD Single : A 180 ASN : amide:sc= -0.832 K(o=-0.83,f=-5!) USER MOD Single : A 181 SER OG : rot 180:sc=-0.00207 USER MOD Single : A 207 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.018) USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 ASN : amide:sc= -0.296! K(o=-0.3!,f=-1.4) USER MOD Single : A 210 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00105) USER MOD Single : A 211 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 212 THR OG1 : rot 180:sc= -0.0091 USER MOD Single : A 221 THR OG1 : rot -52:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 177 18.659 26.729 -14.171 1.00 0.00 N ATOM 2 CA GLY A 177 17.997 26.667 -15.505 1.00 0.00 C ATOM 3 C GLY A 177 18.639 25.561 -16.337 1.00 0.00 C ATOM 4 O GLY A 177 19.063 25.788 -17.470 1.00 0.00 O ATOM 0 HA2 GLY A 177 16.931 26.475 -15.386 1.00 0.00 H new ATOM 0 HA3 GLY A 177 18.094 27.625 -16.016 1.00 0.00 H new ATOM 10 N SER A 178 18.711 24.365 -15.763 1.00 0.00 N ATOM 11 CA SER A 178 19.306 23.229 -16.458 1.00 0.00 C ATOM 12 C SER A 178 18.918 21.920 -15.775 1.00 0.00 C ATOM 13 O SER A 178 19.782 21.120 -15.417 1.00 0.00 O ATOM 14 CB SER A 178 20.829 23.363 -16.468 1.00 0.00 C ATOM 15 OG SER A 178 21.343 22.928 -15.216 1.00 0.00 O ATOM 0 H SER A 178 18.368 24.158 -14.825 1.00 0.00 H new ATOM 0 HA SER A 178 18.933 23.219 -17.482 1.00 0.00 H new ATOM 0 HB2 SER A 178 21.253 22.767 -17.276 1.00 0.00 H new ATOM 0 HB3 SER A 178 21.114 24.399 -16.652 1.00 0.00 H new ATOM 0 HG SER A 178 21.339 21.949 -15.183 1.00 0.00 H new ATOM 21 N PRO A 179 17.645 21.693 -15.589 1.00 0.00 N ATOM 22 CA PRO A 179 17.135 20.454 -14.929 1.00 0.00 C ATOM 23 C PRO A 179 17.374 19.214 -15.793 1.00 0.00 C ATOM 24 O PRO A 179 17.378 18.089 -15.295 1.00 0.00 O ATOM 25 CB PRO A 179 15.635 20.735 -14.741 1.00 0.00 C ATOM 26 CG PRO A 179 15.297 21.726 -15.807 1.00 0.00 C ATOM 27 CD PRO A 179 16.548 22.587 -15.995 1.00 0.00 C ATOM 0 HA PRO A 179 17.643 20.239 -13.989 1.00 0.00 H new ATOM 0 HB2 PRO A 179 15.046 19.824 -14.846 1.00 0.00 H new ATOM 0 HB3 PRO A 179 15.429 21.136 -13.748 1.00 0.00 H new ATOM 0 HG2 PRO A 179 15.026 21.223 -16.735 1.00 0.00 H new ATOM 0 HG3 PRO A 179 14.443 22.337 -15.515 1.00 0.00 H new ATOM 0 HD2 PRO A 179 16.659 22.914 -17.029 1.00 0.00 H new ATOM 0 HD3 PRO A 179 16.513 23.485 -15.379 1.00 0.00 H new ATOM 35 N ASN A 180 17.581 19.435 -17.087 1.00 0.00 N ATOM 36 CA ASN A 180 17.830 18.334 -18.010 1.00 0.00 C ATOM 37 C ASN A 180 18.411 18.861 -19.318 1.00 0.00 C ATOM 38 O ASN A 180 17.728 18.904 -20.342 1.00 0.00 O ATOM 39 CB ASN A 180 16.535 17.565 -18.289 1.00 0.00 C ATOM 40 CG ASN A 180 16.849 16.289 -19.062 1.00 0.00 C ATOM 41 OD1 ASN A 180 17.890 16.199 -19.713 1.00 0.00 O ATOM 42 ND2 ASN A 180 16.011 15.290 -19.026 1.00 0.00 N ATOM 0 H ASN A 180 17.581 20.360 -17.518 1.00 0.00 H new ATOM 0 HA ASN A 180 18.549 17.656 -17.550 1.00 0.00 H new ATOM 0 HB2 ASN A 180 16.038 17.320 -17.351 1.00 0.00 H new ATOM 0 HB3 ASN A 180 15.847 18.188 -18.861 1.00 0.00 H new ATOM 0 HD21 ASN A 180 16.218 14.432 -19.538 1.00 0.00 H new ATOM 0 HD22 ASN A 180 15.149 15.367 -18.486 1.00 0.00 H new ATOM 49 N SER A 181 19.675 19.266 -19.271 1.00 0.00 N ATOM 50 CA SER A 181 20.348 19.799 -20.453 1.00 0.00 C ATOM 51 C SER A 181 21.862 19.712 -20.287 1.00 0.00 C ATOM 52 O SER A 181 22.365 19.599 -19.169 1.00 0.00 O ATOM 53 CB SER A 181 19.940 21.258 -20.662 1.00 0.00 C ATOM 54 OG SER A 181 20.166 21.981 -19.459 1.00 0.00 O ATOM 0 H SER A 181 20.254 19.236 -18.432 1.00 0.00 H new ATOM 0 HA SER A 181 20.054 19.208 -21.320 1.00 0.00 H new ATOM 0 HB2 SER A 181 20.515 21.696 -21.478 1.00 0.00 H new ATOM 0 HB3 SER A 181 18.889 21.318 -20.945 1.00 0.00 H new ATOM 0 HG SER A 181 19.908 22.918 -19.587 1.00 0.00 H new ATOM 60 N SER A 182 22.587 19.779 -21.401 1.00 0.00 N ATOM 61 CA SER A 182 24.043 19.717 -21.350 1.00 0.00 C ATOM 62 C SER A 182 24.498 18.571 -20.447 1.00 0.00 C ATOM 63 O SER A 182 24.897 18.797 -19.304 1.00 0.00 O ATOM 64 CB SER A 182 24.592 21.038 -20.810 1.00 0.00 C ATOM 65 OG SER A 182 24.187 21.195 -19.456 1.00 0.00 O ATOM 0 H SER A 182 22.195 19.875 -22.338 1.00 0.00 H new ATOM 0 HA SER A 182 24.422 19.543 -22.357 1.00 0.00 H new ATOM 0 HB2 SER A 182 25.680 21.049 -20.880 1.00 0.00 H new ATOM 0 HB3 SER A 182 24.225 21.870 -21.411 1.00 0.00 H new ATOM 0 HG SER A 182 23.943 20.322 -19.084 1.00 0.00 H new ATOM 71 N PRO A 183 24.434 17.355 -20.925 1.00 0.00 N ATOM 72 CA PRO A 183 24.836 16.161 -20.130 1.00 0.00 C ATOM 73 C PRO A 183 26.350 15.948 -20.132 1.00 0.00 C ATOM 74 O PRO A 183 26.839 14.862 -20.444 1.00 0.00 O ATOM 75 CB PRO A 183 24.098 15.019 -20.832 1.00 0.00 C ATOM 76 CG PRO A 183 24.032 15.438 -22.268 1.00 0.00 C ATOM 77 CD PRO A 183 23.972 16.976 -22.275 1.00 0.00 C ATOM 0 HA PRO A 183 24.583 16.250 -19.074 1.00 0.00 H new ATOM 0 HB2 PRO A 183 24.630 14.074 -20.719 1.00 0.00 H new ATOM 0 HB3 PRO A 183 23.101 14.875 -20.415 1.00 0.00 H new ATOM 0 HG2 PRO A 183 24.904 15.082 -22.816 1.00 0.00 H new ATOM 0 HG3 PRO A 183 23.154 15.014 -22.755 1.00 0.00 H new ATOM 0 HD2 PRO A 183 24.613 17.397 -23.050 1.00 0.00 H new ATOM 0 HD3 PRO A 183 22.961 17.336 -22.467 1.00 0.00 H new ATOM 85 N ALA A 184 27.084 16.994 -19.766 1.00 0.00 N ATOM 86 CA ALA A 184 28.556 16.910 -19.712 1.00 0.00 C ATOM 87 C ALA A 184 29.123 18.124 -18.982 1.00 0.00 C ATOM 88 O ALA A 184 30.252 18.095 -18.493 1.00 0.00 O ATOM 89 CB ALA A 184 29.158 16.823 -21.131 1.00 0.00 C ATOM 0 H ALA A 184 26.699 17.902 -19.504 1.00 0.00 H new ATOM 0 HA ALA A 184 28.825 16.004 -19.169 1.00 0.00 H new ATOM 0 HB1 ALA A 184 30.244 16.762 -21.062 1.00 0.00 H new ATOM 0 HB2 ALA A 184 28.776 15.935 -21.635 1.00 0.00 H new ATOM 0 HB3 ALA A 184 28.880 17.710 -21.699 1.00 0.00 H new ATOM 95 N SER A 185 28.324 19.186 -18.907 1.00 0.00 N ATOM 96 CA SER A 185 28.738 20.413 -18.227 1.00 0.00 C ATOM 97 C SER A 185 28.283 20.395 -16.771 1.00 0.00 C ATOM 98 O SER A 185 28.580 21.314 -16.007 1.00 0.00 O ATOM 99 CB SER A 185 28.125 21.626 -18.929 1.00 0.00 C ATOM 100 OG SER A 185 26.715 21.605 -18.747 1.00 0.00 O ATOM 0 H SER A 185 27.387 19.223 -19.308 1.00 0.00 H new ATOM 0 HA SER A 185 29.826 20.477 -18.261 1.00 0.00 H new ATOM 0 HB2 SER A 185 28.543 22.547 -18.522 1.00 0.00 H new ATOM 0 HB3 SER A 185 28.367 21.608 -19.992 1.00 0.00 H new ATOM 0 HG SER A 185 26.316 22.381 -19.194 1.00 0.00 H new ATOM 106 N GLY A 186 27.548 19.352 -16.398 1.00 0.00 N ATOM 107 CA GLY A 186 27.045 19.235 -15.030 1.00 0.00 C ATOM 108 C GLY A 186 26.439 17.854 -14.794 1.00 0.00 C ATOM 109 O GLY A 186 25.233 17.729 -14.577 1.00 0.00 O ATOM 0 H GLY A 186 27.288 18.582 -17.015 1.00 0.00 H new ATOM 0 HA2 GLY A 186 27.857 19.407 -14.323 1.00 0.00 H new ATOM 0 HA3 GLY A 186 26.294 20.003 -14.846 1.00 0.00 H new ATOM 113 N PRO A 187 27.243 16.823 -14.841 1.00 0.00 N ATOM 114 CA PRO A 187 26.770 15.420 -14.637 1.00 0.00 C ATOM 115 C PRO A 187 26.446 15.129 -13.173 1.00 0.00 C ATOM 116 O PRO A 187 26.936 15.808 -12.271 1.00 0.00 O ATOM 117 CB PRO A 187 27.950 14.580 -15.140 1.00 0.00 C ATOM 118 CG PRO A 187 29.149 15.424 -14.859 1.00 0.00 C ATOM 119 CD PRO A 187 28.699 16.872 -15.085 1.00 0.00 C ATOM 0 HA PRO A 187 25.839 15.207 -15.163 1.00 0.00 H new ATOM 0 HB2 PRO A 187 28.007 13.623 -14.621 1.00 0.00 H new ATOM 0 HB3 PRO A 187 27.858 14.361 -16.204 1.00 0.00 H new ATOM 0 HG2 PRO A 187 29.500 15.278 -13.837 1.00 0.00 H new ATOM 0 HG3 PRO A 187 29.975 15.163 -15.520 1.00 0.00 H new ATOM 0 HD2 PRO A 187 29.198 17.559 -14.401 1.00 0.00 H new ATOM 0 HD3 PRO A 187 28.925 17.209 -16.096 1.00 0.00 H new ATOM 127 N LEU A 188 25.619 14.108 -12.944 1.00 0.00 N ATOM 128 CA LEU A 188 25.236 13.719 -11.580 1.00 0.00 C ATOM 129 C LEU A 188 25.455 12.210 -11.395 1.00 0.00 C ATOM 130 O LEU A 188 24.550 11.418 -11.653 1.00 0.00 O ATOM 131 CB LEU A 188 23.746 14.059 -11.310 1.00 0.00 C ATOM 132 CG LEU A 188 23.556 15.578 -11.020 1.00 0.00 C ATOM 133 CD1 LEU A 188 23.291 16.362 -12.318 1.00 0.00 C ATOM 134 CD2 LEU A 188 22.357 15.776 -10.076 1.00 0.00 C ATOM 0 H LEU A 188 25.202 13.536 -13.679 1.00 0.00 H new ATOM 0 HA LEU A 188 25.855 14.273 -10.875 1.00 0.00 H new ATOM 0 HB2 LEU A 188 23.143 13.773 -12.172 1.00 0.00 H new ATOM 0 HB3 LEU A 188 23.386 13.477 -10.462 1.00 0.00 H new ATOM 0 HG LEU A 188 24.472 15.950 -10.561 1.00 0.00 H new ATOM 0 HD11 LEU A 188 23.162 17.419 -12.085 1.00 0.00 H new ATOM 0 HD12 LEU A 188 24.136 16.240 -12.996 1.00 0.00 H new ATOM 0 HD13 LEU A 188 22.387 15.983 -12.794 1.00 0.00 H new ATOM 0 HD21 LEU A 188 22.225 16.839 -9.874 1.00 0.00 H new ATOM 0 HD22 LEU A 188 21.456 15.381 -10.545 1.00 0.00 H new ATOM 0 HD23 LEU A 188 22.540 15.248 -9.140 1.00 0.00 H new ATOM 146 N PRO A 189 26.620 11.792 -10.944 1.00 0.00 N ATOM 147 CA PRO A 189 26.915 10.342 -10.719 1.00 0.00 C ATOM 148 C PRO A 189 26.001 9.731 -9.653 1.00 0.00 C ATOM 149 O PRO A 189 25.560 10.421 -8.733 1.00 0.00 O ATOM 150 CB PRO A 189 28.395 10.314 -10.273 1.00 0.00 C ATOM 151 CG PRO A 189 28.955 11.657 -10.637 1.00 0.00 C ATOM 152 CD PRO A 189 27.783 12.635 -10.613 1.00 0.00 C ATOM 0 HA PRO A 189 26.739 9.749 -11.616 1.00 0.00 H new ATOM 0 HB2 PRO A 189 28.477 10.133 -9.201 1.00 0.00 H new ATOM 0 HB3 PRO A 189 28.940 9.514 -10.774 1.00 0.00 H new ATOM 0 HG2 PRO A 189 29.728 11.960 -9.930 1.00 0.00 H new ATOM 0 HG3 PRO A 189 29.418 11.630 -11.623 1.00 0.00 H new ATOM 0 HD2 PRO A 189 27.673 13.104 -9.635 1.00 0.00 H new ATOM 0 HD3 PRO A 189 27.916 13.438 -11.339 1.00 0.00 H new ATOM 160 N GLU A 190 25.730 8.436 -9.781 1.00 0.00 N ATOM 161 CA GLU A 190 24.871 7.750 -8.809 1.00 0.00 C ATOM 162 C GLU A 190 25.408 7.997 -7.399 1.00 0.00 C ATOM 163 O GLU A 190 26.622 8.057 -7.200 1.00 0.00 O ATOM 164 CB GLU A 190 24.823 6.228 -9.071 1.00 0.00 C ATOM 165 CG GLU A 190 24.016 5.914 -10.343 1.00 0.00 C ATOM 166 CD GLU A 190 24.871 6.160 -11.583 1.00 0.00 C ATOM 167 OE1 GLU A 190 25.990 6.618 -11.426 1.00 0.00 O ATOM 168 OE2 GLU A 190 24.403 5.870 -12.671 1.00 0.00 O ATOM 0 H GLU A 190 26.083 7.845 -10.533 1.00 0.00 H new ATOM 0 HA GLU A 190 23.861 8.147 -8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 190 25.837 5.841 -9.174 1.00 0.00 H new ATOM 0 HB3 GLU A 190 24.374 5.722 -8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 190 23.681 4.877 -10.323 1.00 0.00 H new ATOM 0 HG3 GLU A 190 23.122 6.537 -10.379 1.00 0.00 H new ATOM 175 N GLY A 191 24.514 8.150 -6.418 1.00 0.00 N ATOM 176 CA GLY A 191 24.949 8.403 -5.034 1.00 0.00 C ATOM 177 C GLY A 191 24.828 9.886 -4.700 1.00 0.00 C ATOM 178 O GLY A 191 25.082 10.298 -3.569 1.00 0.00 O ATOM 0 H GLY A 191 23.503 8.105 -6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 191 24.342 7.818 -4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 191 25.982 8.078 -4.906 1.00 0.00 H new ATOM 182 N TRP A 192 24.435 10.677 -5.697 1.00 0.00 N ATOM 183 CA TRP A 192 24.281 12.117 -5.524 1.00 0.00 C ATOM 184 C TRP A 192 23.424 12.688 -6.649 1.00 0.00 C ATOM 185 O TRP A 192 23.944 13.150 -7.665 1.00 0.00 O ATOM 186 CB TRP A 192 25.653 12.795 -5.542 1.00 0.00 C ATOM 187 CG TRP A 192 26.434 12.385 -4.336 1.00 0.00 C ATOM 188 CD1 TRP A 192 27.370 11.411 -4.312 1.00 0.00 C ATOM 189 CD2 TRP A 192 26.361 12.919 -2.978 1.00 0.00 C ATOM 190 NE1 TRP A 192 27.880 11.312 -3.030 1.00 0.00 N ATOM 191 CE2 TRP A 192 27.290 12.220 -2.171 1.00 0.00 C ATOM 192 CE3 TRP A 192 25.588 13.930 -2.378 1.00 0.00 C ATOM 193 CZ2 TRP A 192 27.447 12.515 -0.817 1.00 0.00 C ATOM 194 CZ3 TRP A 192 25.744 14.230 -1.015 1.00 0.00 C ATOM 195 CH2 TRP A 192 26.673 13.523 -0.236 1.00 0.00 C ATOM 0 H TRP A 192 24.217 10.342 -6.635 1.00 0.00 H new ATOM 0 HA TRP A 192 23.795 12.304 -4.566 1.00 0.00 H new ATOM 0 HB2 TRP A 192 26.193 12.520 -6.448 1.00 0.00 H new ATOM 0 HB3 TRP A 192 25.534 13.878 -5.559 1.00 0.00 H new ATOM 0 HD1 TRP A 192 27.671 10.808 -5.156 1.00 0.00 H new ATOM 0 HE1 TRP A 192 28.604 10.649 -2.752 1.00 0.00 H new ATOM 0 HE3 TRP A 192 24.870 14.479 -2.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 28.162 11.968 -0.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 25.146 15.008 -0.564 1.00 0.00 H new ATOM 0 HH2 TRP A 192 26.790 13.758 0.812 1.00 0.00 H new ATOM 206 N GLU A 193 22.106 12.656 -6.459 1.00 0.00 N ATOM 207 CA GLU A 193 21.164 13.180 -7.465 1.00 0.00 C ATOM 208 C GLU A 193 20.363 14.344 -6.875 1.00 0.00 C ATOM 209 O GLU A 193 19.690 14.186 -5.859 1.00 0.00 O ATOM 210 CB GLU A 193 20.211 12.068 -7.936 1.00 0.00 C ATOM 211 CG GLU A 193 19.304 12.600 -9.048 1.00 0.00 C ATOM 212 CD GLU A 193 18.392 11.485 -9.551 1.00 0.00 C ATOM 213 OE1 GLU A 193 18.667 10.337 -9.241 1.00 0.00 O ATOM 214 OE2 GLU A 193 17.434 11.796 -10.239 1.00 0.00 O ATOM 0 H GLU A 193 21.661 12.276 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 193 21.732 13.539 -8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 193 20.784 11.215 -8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 193 19.608 11.715 -7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 193 18.705 13.431 -8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 193 19.908 12.986 -9.869 1.00 0.00 H new ATOM 221 N GLN A 194 20.451 15.514 -7.511 1.00 0.00 N ATOM 222 CA GLN A 194 19.739 16.705 -7.024 1.00 0.00 C ATOM 223 C GLN A 194 18.262 16.666 -7.398 1.00 0.00 C ATOM 224 O GLN A 194 17.903 16.320 -8.524 1.00 0.00 O ATOM 225 CB GLN A 194 20.390 17.971 -7.601 1.00 0.00 C ATOM 226 CG GLN A 194 19.655 19.227 -7.122 1.00 0.00 C ATOM 227 CD GLN A 194 20.365 20.467 -7.656 1.00 0.00 C ATOM 228 OE1 GLN A 194 21.509 20.381 -8.102 1.00 0.00 O ATOM 229 NE2 GLN A 194 19.752 21.619 -7.637 1.00 0.00 N ATOM 0 H GLN A 194 21.001 15.665 -8.356 1.00 0.00 H new ATOM 0 HA GLN A 194 19.809 16.718 -5.936 1.00 0.00 H new ATOM 0 HB2 GLN A 194 21.436 18.018 -7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 194 20.376 17.929 -8.690 1.00 0.00 H new ATOM 0 HG2 GLN A 194 18.621 19.210 -7.467 1.00 0.00 H new ATOM 0 HG3 GLN A 194 19.627 19.252 -6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 194 18.804 21.686 -7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 194 20.221 22.452 -7.993 1.00 0.00 H new ATOM 238 N ALA A 195 17.407 17.035 -6.444 1.00 0.00 N ATOM 239 CA ALA A 195 15.965 17.040 -6.698 1.00 0.00 C ATOM 240 C ALA A 195 15.206 17.809 -5.615 1.00 0.00 C ATOM 241 O ALA A 195 15.754 18.134 -4.561 1.00 0.00 O ATOM 242 CB ALA A 195 15.436 15.602 -6.788 1.00 0.00 C ATOM 0 H ALA A 195 17.679 17.329 -5.506 1.00 0.00 H new ATOM 0 HA ALA A 195 15.799 17.546 -7.649 1.00 0.00 H new ATOM 0 HB1 ALA A 195 14.363 15.620 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 195 15.939 15.080 -7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 195 15.630 15.083 -5.849 1.00 0.00 H new ATOM 248 N ILE A 196 13.937 18.110 -5.901 1.00 0.00 N ATOM 249 CA ILE A 196 13.086 18.861 -4.971 1.00 0.00 C ATOM 250 C ILE A 196 12.300 17.918 -4.038 1.00 0.00 C ATOM 251 O ILE A 196 11.776 16.896 -4.483 1.00 0.00 O ATOM 252 CB ILE A 196 12.105 19.770 -5.781 1.00 0.00 C ATOM 253 CG1 ILE A 196 10.708 19.122 -5.961 1.00 0.00 C ATOM 254 CG2 ILE A 196 12.667 20.059 -7.182 1.00 0.00 C ATOM 255 CD1 ILE A 196 10.786 17.816 -6.778 1.00 0.00 C ATOM 0 H ILE A 196 13.474 17.845 -6.771 1.00 0.00 H new ATOM 0 HA ILE A 196 13.725 19.483 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 196 12.001 20.689 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 196 10.275 18.914 -4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 196 10.042 19.825 -6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 196 11.970 20.693 -7.730 1.00 0.00 H new ATOM 0 HG22 ILE A 196 13.626 20.568 -7.091 1.00 0.00 H new ATOM 0 HG23 ILE A 196 12.804 19.121 -7.720 1.00 0.00 H new ATOM 0 HD11 ILE A 196 9.787 17.392 -6.882 1.00 0.00 H new ATOM 0 HD12 ILE A 196 11.195 18.029 -7.766 1.00 0.00 H new ATOM 0 HD13 ILE A 196 11.431 17.103 -6.264 1.00 0.00 H new ATOM 267 N THR A 197 12.181 18.286 -2.752 1.00 0.00 N ATOM 268 CA THR A 197 11.416 17.482 -1.805 1.00 0.00 C ATOM 269 C THR A 197 9.920 17.753 -2.023 1.00 0.00 C ATOM 270 O THR A 197 9.571 18.676 -2.758 1.00 0.00 O ATOM 271 CB THR A 197 11.887 17.827 -0.368 1.00 0.00 C ATOM 272 OG1 THR A 197 11.888 16.652 0.425 1.00 0.00 O ATOM 273 CG2 THR A 197 11.000 18.899 0.291 1.00 0.00 C ATOM 0 H THR A 197 12.602 19.126 -2.355 1.00 0.00 H new ATOM 0 HA THR A 197 11.580 16.415 -1.957 1.00 0.00 H new ATOM 0 HB THR A 197 12.896 18.234 -0.438 1.00 0.00 H new ATOM 0 HG1 THR A 197 12.187 16.870 1.332 1.00 0.00 H new ATOM 0 HG21 THR A 197 11.368 19.108 1.296 1.00 0.00 H new ATOM 0 HG22 THR A 197 11.030 19.812 -0.304 1.00 0.00 H new ATOM 0 HG23 THR A 197 9.974 18.537 0.349 1.00 0.00 H new ATOM 281 N PRO A 198 9.031 16.991 -1.431 1.00 0.00 N ATOM 282 CA PRO A 198 7.566 17.209 -1.625 1.00 0.00 C ATOM 283 C PRO A 198 7.173 18.666 -1.372 1.00 0.00 C ATOM 284 O PRO A 198 6.270 19.198 -2.016 1.00 0.00 O ATOM 285 CB PRO A 198 6.918 16.262 -0.605 1.00 0.00 C ATOM 286 CG PRO A 198 7.927 15.181 -0.390 1.00 0.00 C ATOM 287 CD PRO A 198 9.296 15.851 -0.529 1.00 0.00 C ATOM 0 HA PRO A 198 7.245 17.007 -2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 198 6.690 16.780 0.326 1.00 0.00 H new ATOM 0 HB3 PRO A 198 5.979 15.857 -0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 198 7.811 14.729 0.595 1.00 0.00 H new ATOM 0 HG3 PRO A 198 7.807 14.383 -1.123 1.00 0.00 H new ATOM 0 HD2 PRO A 198 9.680 16.183 0.435 1.00 0.00 H new ATOM 0 HD3 PRO A 198 10.036 15.170 -0.950 1.00 0.00 H new ATOM 295 N GLU A 199 7.868 19.306 -0.436 1.00 0.00 N ATOM 296 CA GLU A 199 7.592 20.711 -0.117 1.00 0.00 C ATOM 297 C GLU A 199 8.028 21.615 -1.271 1.00 0.00 C ATOM 298 O GLU A 199 7.573 22.753 -1.385 1.00 0.00 O ATOM 299 CB GLU A 199 8.317 21.109 1.176 1.00 0.00 C ATOM 300 CG GLU A 199 7.965 22.553 1.543 1.00 0.00 C ATOM 301 CD GLU A 199 8.611 22.930 2.870 1.00 0.00 C ATOM 302 OE1 GLU A 199 9.451 22.176 3.334 1.00 0.00 O ATOM 303 OE2 GLU A 199 8.255 23.966 3.406 1.00 0.00 O ATOM 0 H GLU A 199 8.618 18.884 0.111 1.00 0.00 H new ATOM 0 HA GLU A 199 6.519 20.833 0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 199 8.031 20.438 1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 199 9.395 21.009 1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 199 8.306 23.229 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 199 6.883 22.665 1.612 1.00 0.00 H new ATOM 310 N GLY A 200 8.904 21.099 -2.138 1.00 0.00 N ATOM 311 CA GLY A 200 9.386 21.873 -3.292 1.00 0.00 C ATOM 312 C GLY A 200 10.752 22.513 -3.007 1.00 0.00 C ATOM 313 O GLY A 200 11.303 23.202 -3.864 1.00 0.00 O ATOM 0 H GLY A 200 9.292 20.158 -2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 200 9.462 21.221 -4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 200 8.663 22.650 -3.538 1.00 0.00 H new ATOM 317 N GLU A 201 11.304 22.290 -1.805 1.00 0.00 N ATOM 318 CA GLU A 201 12.606 22.867 -1.461 1.00 0.00 C ATOM 319 C GLU A 201 13.733 22.076 -2.130 1.00 0.00 C ATOM 320 O GLU A 201 13.870 20.875 -1.902 1.00 0.00 O ATOM 321 CB GLU A 201 12.788 22.841 0.063 1.00 0.00 C ATOM 322 CG GLU A 201 14.101 23.528 0.449 1.00 0.00 C ATOM 323 CD GLU A 201 14.243 23.581 1.966 1.00 0.00 C ATOM 324 OE1 GLU A 201 13.255 23.348 2.644 1.00 0.00 O ATOM 325 OE2 GLU A 201 15.337 23.857 2.429 1.00 0.00 O ATOM 0 H GLU A 201 10.877 21.726 -1.070 1.00 0.00 H new ATOM 0 HA GLU A 201 12.644 23.896 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 201 11.950 23.344 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 201 12.789 21.811 0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 201 14.943 22.988 0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 201 14.126 24.538 0.039 1.00 0.00 H new ATOM 332 N ILE A 202 14.531 22.750 -2.962 1.00 0.00 N ATOM 333 CA ILE A 202 15.630 22.078 -3.654 1.00 0.00 C ATOM 334 C ILE A 202 16.700 21.659 -2.654 1.00 0.00 C ATOM 335 O ILE A 202 17.116 22.432 -1.790 1.00 0.00 O ATOM 336 CB ILE A 202 16.180 22.993 -4.796 1.00 0.00 C ATOM 337 CG1 ILE A 202 16.392 22.181 -6.105 1.00 0.00 C ATOM 338 CG2 ILE A 202 17.511 23.646 -4.391 1.00 0.00 C ATOM 339 CD1 ILE A 202 16.393 23.115 -7.313 1.00 0.00 C ATOM 0 H ILE A 202 14.439 23.744 -3.170 1.00 0.00 H new ATOM 0 HA ILE A 202 15.271 21.164 -4.128 1.00 0.00 H new ATOM 0 HB ILE A 202 15.438 23.772 -4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 202 17.336 21.638 -6.056 1.00 0.00 H new ATOM 0 HG13 ILE A 202 15.602 21.438 -6.212 1.00 0.00 H new ATOM 0 HG21 ILE A 202 17.869 24.276 -5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 202 17.361 24.255 -3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 202 18.248 22.871 -4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 202 16.542 22.533 -8.223 1.00 0.00 H new ATOM 0 HD12 ILE A 202 15.438 23.638 -7.369 1.00 0.00 H new ATOM 0 HD13 ILE A 202 17.199 23.842 -7.211 1.00 0.00 H new ATOM 351 N TYR A 203 17.117 20.404 -2.783 1.00 0.00 N ATOM 352 CA TYR A 203 18.122 19.833 -1.893 1.00 0.00 C ATOM 353 C TYR A 203 18.815 18.666 -2.607 1.00 0.00 C ATOM 354 O TYR A 203 18.343 18.207 -3.647 1.00 0.00 O ATOM 355 CB TYR A 203 17.481 19.413 -0.544 1.00 0.00 C ATOM 356 CG TYR A 203 16.695 18.113 -0.650 1.00 0.00 C ATOM 357 CD1 TYR A 203 15.516 18.042 -1.407 1.00 0.00 C ATOM 358 CD2 TYR A 203 17.145 16.975 0.032 1.00 0.00 C ATOM 359 CE1 TYR A 203 14.800 16.848 -1.484 1.00 0.00 C ATOM 360 CE2 TYR A 203 16.423 15.778 -0.042 1.00 0.00 C ATOM 361 CZ TYR A 203 15.249 15.715 -0.799 1.00 0.00 C ATOM 362 OH TYR A 203 14.535 14.536 -0.872 1.00 0.00 O ATOM 0 H TYR A 203 16.774 19.761 -3.497 1.00 0.00 H new ATOM 0 HA TYR A 203 18.880 20.579 -1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 203 18.263 19.300 0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 203 16.819 20.207 -0.198 1.00 0.00 H new ATOM 0 HD1 TYR A 203 15.161 18.916 -1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 203 18.052 17.021 0.617 1.00 0.00 H new ATOM 0 HE1 TYR A 203 13.897 16.798 -2.074 1.00 0.00 H new ATOM 0 HE2 TYR A 203 16.773 14.903 0.486 1.00 0.00 H new ATOM 0 HH TYR A 203 14.985 13.847 -0.339 1.00 0.00 H new ATOM 372 N TYR A 204 19.956 18.216 -2.083 1.00 0.00 N ATOM 373 CA TYR A 204 20.721 17.136 -2.726 1.00 0.00 C ATOM 374 C TYR A 204 20.483 15.795 -2.010 1.00 0.00 C ATOM 375 O TYR A 204 20.397 15.753 -0.783 1.00 0.00 O ATOM 376 CB TYR A 204 22.218 17.521 -2.686 1.00 0.00 C ATOM 377 CG TYR A 204 22.581 18.428 -3.861 1.00 0.00 C ATOM 378 CD1 TYR A 204 21.802 19.561 -4.173 1.00 0.00 C ATOM 379 CD2 TYR A 204 23.718 18.136 -4.633 1.00 0.00 C ATOM 380 CE1 TYR A 204 22.165 20.384 -5.245 1.00 0.00 C ATOM 381 CE2 TYR A 204 24.074 18.966 -5.702 1.00 0.00 C ATOM 382 CZ TYR A 204 23.300 20.087 -6.009 1.00 0.00 C ATOM 383 OH TYR A 204 23.654 20.903 -7.063 1.00 0.00 O ATOM 0 H TYR A 204 20.371 18.576 -1.224 1.00 0.00 H new ATOM 0 HA TYR A 204 20.394 17.012 -3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 204 22.442 18.028 -1.748 1.00 0.00 H new ATOM 0 HB3 TYR A 204 22.830 16.620 -2.715 1.00 0.00 H new ATOM 0 HD1 TYR A 204 20.926 19.793 -3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 204 24.319 17.269 -4.401 1.00 0.00 H new ATOM 0 HE1 TYR A 204 21.567 21.251 -5.484 1.00 0.00 H new ATOM 0 HE2 TYR A 204 24.950 18.739 -6.291 1.00 0.00 H new ATOM 0 HH TYR A 204 22.969 20.851 -7.762 1.00 0.00 H new ATOM 393 N ILE A 205 20.353 14.697 -2.785 1.00 0.00 N ATOM 394 CA ILE A 205 20.100 13.374 -2.206 1.00 0.00 C ATOM 395 C ILE A 205 21.327 12.477 -2.333 1.00 0.00 C ATOM 396 O ILE A 205 21.774 12.179 -3.440 1.00 0.00 O ATOM 397 CB ILE A 205 18.943 12.680 -2.963 1.00 0.00 C ATOM 398 CG1 ILE A 205 17.844 13.701 -3.311 1.00 0.00 C ATOM 399 CG2 ILE A 205 18.360 11.562 -2.090 1.00 0.00 C ATOM 400 CD1 ILE A 205 16.579 12.974 -3.783 1.00 0.00 C ATOM 0 H ILE A 205 20.419 14.707 -3.803 1.00 0.00 H new ATOM 0 HA ILE A 205 19.851 13.520 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 205 19.328 12.254 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 205 17.617 14.314 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 205 18.197 14.376 -4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 205 17.545 11.072 -2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 205 19.138 10.832 -1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 205 17.983 11.986 -1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 205 15.808 13.705 -4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 205 16.809 12.381 -4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 205 16.219 12.318 -2.990 1.00 0.00 H new ATOM 412 N ASN A 206 21.836 12.009 -1.199 1.00 0.00 N ATOM 413 CA ASN A 206 22.978 11.101 -1.216 1.00 0.00 C ATOM 414 C ASN A 206 22.461 9.686 -1.446 1.00 0.00 C ATOM 415 O ASN A 206 22.210 8.947 -0.494 1.00 0.00 O ATOM 416 CB ASN A 206 23.748 11.162 0.110 1.00 0.00 C ATOM 417 CG ASN A 206 23.912 12.614 0.545 1.00 0.00 C ATOM 418 OD1 ASN A 206 23.399 13.519 -0.111 1.00 0.00 O ATOM 419 ND2 ASN A 206 24.601 12.891 1.618 1.00 0.00 N ATOM 0 H ASN A 206 21.483 12.238 -0.270 1.00 0.00 H new ATOM 0 HA ASN A 206 23.661 11.394 -2.014 1.00 0.00 H new ATOM 0 HB2 ASN A 206 23.214 10.601 0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 206 24.726 10.694 -0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 206 24.715 13.860 1.915 1.00 0.00 H new ATOM 0 HD22 ASN A 206 25.025 12.138 2.160 1.00 0.00 H new ATOM 426 N HIS A 207 22.292 9.318 -2.715 1.00 0.00 N ATOM 427 CA HIS A 207 21.784 7.990 -3.044 1.00 0.00 C ATOM 428 C HIS A 207 22.725 6.917 -2.498 1.00 0.00 C ATOM 429 O HIS A 207 22.476 5.721 -2.656 1.00 0.00 O ATOM 430 CB HIS A 207 21.598 7.846 -4.573 1.00 0.00 C ATOM 431 CG HIS A 207 20.210 8.280 -4.975 1.00 0.00 C ATOM 432 ND1 HIS A 207 19.900 9.604 -5.238 1.00 0.00 N ATOM 433 CD2 HIS A 207 19.045 7.578 -5.164 1.00 0.00 C ATOM 434 CE1 HIS A 207 18.597 9.659 -5.567 1.00 0.00 C ATOM 435 NE2 HIS A 207 18.028 8.451 -5.538 1.00 0.00 N ATOM 0 H HIS A 207 22.496 9.911 -3.520 1.00 0.00 H new ATOM 0 HA HIS A 207 20.809 7.857 -2.575 1.00 0.00 H new ATOM 0 HB2 HIS A 207 22.341 8.450 -5.095 1.00 0.00 H new ATOM 0 HB3 HIS A 207 21.763 6.810 -4.870 1.00 0.00 H new ATOM 0 HD2 HIS A 207 18.935 6.511 -5.041 1.00 0.00 H new ATOM 0 HE1 HIS A 207 18.075 10.569 -5.823 1.00 0.00 H new ATOM 0 HE2 HIS A 207 17.057 8.218 -5.745 1.00 0.00 H new ATOM 443 N LYS A 208 23.796 7.351 -1.838 1.00 0.00 N ATOM 444 CA LYS A 208 24.749 6.426 -1.255 1.00 0.00 C ATOM 445 C LYS A 208 24.074 5.586 -0.168 1.00 0.00 C ATOM 446 O LYS A 208 24.481 4.455 0.096 1.00 0.00 O ATOM 447 CB LYS A 208 25.927 7.211 -0.674 1.00 0.00 C ATOM 448 CG LYS A 208 27.001 6.252 -0.179 1.00 0.00 C ATOM 449 CD LYS A 208 28.175 7.077 0.326 1.00 0.00 C ATOM 450 CE LYS A 208 29.292 6.148 0.805 1.00 0.00 C ATOM 451 NZ LYS A 208 30.461 6.960 1.249 1.00 0.00 N ATOM 0 H LYS A 208 24.020 8.336 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 208 25.117 5.750 -2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 208 26.342 7.874 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 208 25.585 7.841 0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 208 26.609 5.620 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 208 27.320 5.589 -0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 208 28.544 7.725 -0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 208 27.853 7.724 1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 208 28.935 5.527 1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 208 29.588 5.474 0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 31.220 6.327 1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 30.807 7.535 0.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 30.173 7.585 2.029 1.00 0.00 H new ATOM 465 N ASN A 209 23.035 6.148 0.456 1.00 0.00 N ATOM 466 CA ASN A 209 22.308 5.439 1.507 1.00 0.00 C ATOM 467 C ASN A 209 20.928 6.065 1.707 1.00 0.00 C ATOM 468 O ASN A 209 20.333 5.954 2.778 1.00 0.00 O ATOM 469 CB ASN A 209 23.097 5.484 2.823 1.00 0.00 C ATOM 470 CG ASN A 209 22.604 4.393 3.778 1.00 0.00 C ATOM 471 OD1 ASN A 209 23.306 3.406 4.000 1.00 0.00 O ATOM 472 ND2 ASN A 209 21.434 4.500 4.357 1.00 0.00 N ATOM 0 H ASN A 209 22.682 7.083 0.253 1.00 0.00 H new ATOM 0 HA ASN A 209 22.186 4.399 1.204 1.00 0.00 H new ATOM 0 HB2 ASN A 209 24.160 5.348 2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 209 22.984 6.463 3.289 1.00 0.00 H new ATOM 0 HD21 ASN A 209 21.108 3.768 4.988 1.00 0.00 H new ATOM 0 HD22 ASN A 209 20.848 5.315 4.177 1.00 0.00 H new ATOM 479 N LYS A 210 20.425 6.723 0.668 1.00 0.00 N ATOM 480 CA LYS A 210 19.112 7.360 0.745 1.00 0.00 C ATOM 481 C LYS A 210 19.054 8.319 1.929 1.00 0.00 C ATOM 482 O LYS A 210 18.290 8.111 2.872 1.00 0.00 O ATOM 483 CB LYS A 210 18.020 6.298 0.903 1.00 0.00 C ATOM 484 CG LYS A 210 18.046 5.331 -0.288 1.00 0.00 C ATOM 485 CD LYS A 210 17.593 6.044 -1.574 1.00 0.00 C ATOM 486 CE LYS A 210 17.148 5.007 -2.614 1.00 0.00 C ATOM 487 NZ LYS A 210 15.750 4.584 -2.327 1.00 0.00 N ATOM 0 H LYS A 210 20.899 6.830 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 210 18.948 7.918 -0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 210 18.170 5.747 1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 210 17.043 6.777 0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 210 19.053 4.936 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 210 17.394 4.481 -0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 210 16.772 6.726 -1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 210 18.409 6.646 -1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 210 17.212 5.431 -3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 210 17.813 4.143 -2.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 15.588 3.633 -2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 15.597 4.567 -1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 15.087 5.255 -2.765 1.00 0.00 H new ATOM 501 N THR A 211 19.870 9.375 1.873 1.00 0.00 N ATOM 502 CA THR A 211 19.915 10.375 2.943 1.00 0.00 C ATOM 503 C THR A 211 19.738 11.771 2.359 1.00 0.00 C ATOM 504 O THR A 211 19.809 11.956 1.145 1.00 0.00 O ATOM 505 CB THR A 211 21.258 10.296 3.677 1.00 0.00 C ATOM 506 OG1 THR A 211 22.229 11.059 2.973 1.00 0.00 O ATOM 507 CG2 THR A 211 21.716 8.839 3.747 1.00 0.00 C ATOM 0 H THR A 211 20.508 9.559 1.099 1.00 0.00 H new ATOM 0 HA THR A 211 19.107 10.173 3.646 1.00 0.00 H new ATOM 0 HB THR A 211 21.142 10.692 4.686 1.00 0.00 H new ATOM 0 HG1 THR A 211 23.087 11.010 3.443 1.00 0.00 H new ATOM 0 HG21 THR A 211 22.671 8.783 4.269 1.00 0.00 H new ATOM 0 HG22 THR A 211 20.973 8.250 4.285 1.00 0.00 H new ATOM 0 HG23 THR A 211 21.830 8.445 2.737 1.00 0.00 H new ATOM 515 N THR A 212 19.504 12.752 3.229 1.00 0.00 N ATOM 516 CA THR A 212 19.314 14.139 2.788 1.00 0.00 C ATOM 517 C THR A 212 20.538 14.982 3.154 1.00 0.00 C ATOM 518 O THR A 212 21.060 14.867 4.261 1.00 0.00 O ATOM 519 CB THR A 212 18.080 14.727 3.474 1.00 0.00 C ATOM 520 OG1 THR A 212 18.373 14.973 4.843 1.00 0.00 O ATOM 521 CG2 THR A 212 16.915 13.743 3.373 1.00 0.00 C ATOM 0 H THR A 212 19.441 12.617 4.238 1.00 0.00 H new ATOM 0 HA THR A 212 19.180 14.150 1.706 1.00 0.00 H new ATOM 0 HB THR A 212 17.806 15.661 2.984 1.00 0.00 H new ATOM 0 HG1 THR A 212 17.584 15.351 5.284 1.00 0.00 H new ATOM 0 HG21 THR A 212 16.038 14.166 3.863 1.00 0.00 H new ATOM 0 HG22 THR A 212 16.688 13.554 2.324 1.00 0.00 H new ATOM 0 HG23 THR A 212 17.186 12.806 3.860 1.00 0.00 H new ATOM 529 N SER A 213 20.996 15.833 2.226 1.00 0.00 N ATOM 530 CA SER A 213 22.161 16.687 2.484 1.00 0.00 C ATOM 531 C SER A 213 21.932 18.074 1.861 1.00 0.00 C ATOM 532 O SER A 213 21.657 18.176 0.666 1.00 0.00 O ATOM 533 CB SER A 213 23.408 16.042 1.870 1.00 0.00 C ATOM 534 OG SER A 213 23.475 16.376 0.490 1.00 0.00 O ATOM 0 H SER A 213 20.583 15.947 1.301 1.00 0.00 H new ATOM 0 HA SER A 213 22.302 16.798 3.559 1.00 0.00 H new ATOM 0 HB2 SER A 213 24.303 16.391 2.385 1.00 0.00 H new ATOM 0 HB3 SER A 213 23.370 14.960 1.993 1.00 0.00 H new ATOM 0 HG SER A 213 22.625 16.775 0.208 1.00 0.00 H new ATOM 540 N TRP A 214 22.037 19.140 2.669 1.00 0.00 N ATOM 541 CA TRP A 214 21.826 20.507 2.165 1.00 0.00 C ATOM 542 C TRP A 214 23.173 21.213 1.931 1.00 0.00 C ATOM 543 O TRP A 214 23.444 22.241 2.551 1.00 0.00 O ATOM 544 CB TRP A 214 21.001 21.322 3.182 1.00 0.00 C ATOM 545 CG TRP A 214 19.947 20.434 3.794 1.00 0.00 C ATOM 546 CD1 TRP A 214 20.183 19.506 4.757 1.00 0.00 C ATOM 547 CD2 TRP A 214 18.505 20.367 3.513 1.00 0.00 C ATOM 548 NE1 TRP A 214 18.995 18.884 5.084 1.00 0.00 N ATOM 549 CE2 TRP A 214 17.935 19.373 4.350 1.00 0.00 C ATOM 550 CE3 TRP A 214 17.639 21.054 2.628 1.00 0.00 C ATOM 551 CZ2 TRP A 214 16.573 19.075 4.315 1.00 0.00 C ATOM 552 CZ3 TRP A 214 16.269 20.750 2.595 1.00 0.00 C ATOM 553 CH2 TRP A 214 15.738 19.765 3.435 1.00 0.00 C ATOM 0 H TRP A 214 22.264 19.085 3.662 1.00 0.00 H new ATOM 0 HA TRP A 214 21.288 20.442 1.220 1.00 0.00 H new ATOM 0 HB2 TRP A 214 21.652 21.722 3.959 1.00 0.00 H new ATOM 0 HB3 TRP A 214 20.533 22.174 2.689 1.00 0.00 H new ATOM 0 HD1 TRP A 214 21.146 19.289 5.196 1.00 0.00 H new ATOM 0 HE1 TRP A 214 18.911 18.149 5.786 1.00 0.00 H new ATOM 0 HE3 TRP A 214 18.035 21.817 1.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 214 16.167 18.314 4.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 214 15.619 21.281 1.915 1.00 0.00 H new ATOM 0 HH2 TRP A 214 14.682 19.539 3.402 1.00 0.00 H new ATOM 564 N LEU A 215 24.022 20.671 1.034 1.00 0.00 N ATOM 565 CA LEU A 215 25.326 21.287 0.747 1.00 0.00 C ATOM 566 C LEU A 215 25.359 21.731 -0.718 1.00 0.00 C ATOM 567 O LEU A 215 24.750 21.096 -1.578 1.00 0.00 O ATOM 568 CB LEU A 215 26.497 20.289 1.000 1.00 0.00 C ATOM 569 CG LEU A 215 26.366 19.526 2.369 1.00 0.00 C ATOM 570 CD1 LEU A 215 26.764 18.046 2.186 1.00 0.00 C ATOM 571 CD2 LEU A 215 27.309 20.118 3.454 1.00 0.00 C ATOM 0 H LEU A 215 23.829 19.821 0.505 1.00 0.00 H new ATOM 0 HA LEU A 215 25.453 22.141 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 215 26.531 19.563 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 215 27.441 20.833 0.982 1.00 0.00 H new ATOM 0 HG LEU A 215 25.329 19.628 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 215 26.671 17.524 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 215 26.107 17.581 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 215 27.796 17.987 1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 215 27.188 19.563 4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 215 28.343 20.042 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 215 27.058 21.165 3.622 1.00 0.00 H new ATOM 583 N ASP A 216 26.062 22.831 -0.993 1.00 0.00 N ATOM 584 CA ASP A 216 26.153 23.352 -2.355 1.00 0.00 C ATOM 585 C ASP A 216 26.478 22.219 -3.339 1.00 0.00 C ATOM 586 O ASP A 216 26.689 21.079 -2.924 1.00 0.00 O ATOM 587 CB ASP A 216 27.224 24.467 -2.427 1.00 0.00 C ATOM 588 CG ASP A 216 27.499 25.029 -1.034 1.00 0.00 C ATOM 589 OD1 ASP A 216 26.604 25.647 -0.479 1.00 0.00 O ATOM 590 OD2 ASP A 216 28.599 24.834 -0.542 1.00 0.00 O ATOM 0 H ASP A 216 26.572 23.373 -0.296 1.00 0.00 H new ATOM 0 HA ASP A 216 25.190 23.780 -2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 216 28.145 24.069 -2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 216 26.884 25.265 -3.088 1.00 0.00 H new ATOM 595 N PRO A 217 26.516 22.500 -4.624 1.00 0.00 N ATOM 596 CA PRO A 217 26.813 21.463 -5.662 1.00 0.00 C ATOM 597 C PRO A 217 28.198 20.836 -5.488 1.00 0.00 C ATOM 598 O PRO A 217 29.152 21.504 -5.090 1.00 0.00 O ATOM 599 CB PRO A 217 26.712 22.228 -7.001 1.00 0.00 C ATOM 600 CG PRO A 217 25.947 23.474 -6.686 1.00 0.00 C ATOM 601 CD PRO A 217 26.287 23.821 -5.240 1.00 0.00 C ATOM 0 HA PRO A 217 26.121 20.623 -5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 217 27.701 22.462 -7.396 1.00 0.00 H new ATOM 0 HB3 PRO A 217 26.200 21.632 -7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 217 26.228 24.285 -7.358 1.00 0.00 H new ATOM 0 HG3 PRO A 217 24.875 23.315 -6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 217 27.171 24.455 -5.175 1.00 0.00 H new ATOM 0 HD3 PRO A 217 25.473 24.358 -4.752 1.00 0.00 H new ATOM 609 N ARG A 218 28.290 19.547 -5.796 1.00 0.00 N ATOM 610 CA ARG A 218 29.552 18.824 -5.683 1.00 0.00 C ATOM 611 C ARG A 218 30.611 19.427 -6.611 1.00 0.00 C ATOM 612 O ARG A 218 31.779 19.525 -6.235 1.00 0.00 O ATOM 613 CB ARG A 218 29.343 17.332 -6.022 1.00 0.00 C ATOM 614 CG ARG A 218 30.654 16.532 -5.814 1.00 0.00 C ATOM 615 CD ARG A 218 30.695 15.342 -6.777 1.00 0.00 C ATOM 616 NE ARG A 218 31.887 14.538 -6.531 1.00 0.00 N ATOM 617 CZ ARG A 218 32.322 13.664 -7.432 1.00 0.00 C ATOM 618 NH1 ARG A 218 31.657 13.486 -8.541 1.00 0.00 N ATOM 619 NH2 ARG A 218 33.409 12.978 -7.204 1.00 0.00 N ATOM 0 H ARG A 218 27.507 18.982 -6.125 1.00 0.00 H new ATOM 0 HA ARG A 218 29.904 18.912 -4.655 1.00 0.00 H new ATOM 0 HB2 ARG A 218 28.555 16.918 -5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 218 29.011 17.232 -7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 218 31.516 17.178 -5.983 1.00 0.00 H new ATOM 0 HG3 ARG A 218 30.717 16.180 -4.784 1.00 0.00 H new ATOM 0 HD2 ARG A 218 29.802 14.730 -6.650 1.00 0.00 H new ATOM 0 HD3 ARG A 218 30.693 15.698 -7.807 1.00 0.00 H new ATOM 0 HE ARG A 218 32.395 14.649 -5.653 1.00 0.00 H new ATOM 0 HH11 ARG A 218 30.804 14.018 -8.715 1.00 0.00 H new ATOM 0 HH12 ARG A 218 31.990 12.815 -9.233 1.00 0.00 H new ATOM 0 HH21 ARG A 218 33.924 13.113 -6.334 1.00 0.00 H new ATOM 0 HH22 ARG A 218 33.743 12.307 -7.896 1.00 0.00 H new ATOM 633 N LEU A 219 30.213 19.821 -7.829 1.00 0.00 N ATOM 634 CA LEU A 219 31.166 20.397 -8.795 1.00 0.00 C ATOM 635 C LEU A 219 30.891 21.890 -8.973 1.00 0.00 C ATOM 636 O LEU A 219 30.323 22.307 -9.982 1.00 0.00 O ATOM 637 CB LEU A 219 31.042 19.678 -10.159 1.00 0.00 C ATOM 638 CG LEU A 219 32.088 20.201 -11.168 1.00 0.00 C ATOM 639 CD1 LEU A 219 33.504 19.719 -10.797 1.00 0.00 C ATOM 640 CD2 LEU A 219 31.724 19.685 -12.565 1.00 0.00 C ATOM 0 H LEU A 219 29.253 19.754 -8.168 1.00 0.00 H new ATOM 0 HA LEU A 219 32.178 20.262 -8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 219 31.173 18.605 -10.020 1.00 0.00 H new ATOM 0 HB3 LEU A 219 30.040 19.827 -10.561 1.00 0.00 H new ATOM 0 HG LEU A 219 32.083 21.291 -11.149 1.00 0.00 H new ATOM 0 HD11 LEU A 219 34.221 20.102 -11.524 1.00 0.00 H new ATOM 0 HD12 LEU A 219 33.764 20.085 -9.804 1.00 0.00 H new ATOM 0 HD13 LEU A 219 33.530 18.629 -10.801 1.00 0.00 H new ATOM 0 HD21 LEU A 219 32.455 20.047 -13.288 1.00 0.00 H new ATOM 0 HD22 LEU A 219 31.725 18.595 -12.562 1.00 0.00 H new ATOM 0 HD23 LEU A 219 30.733 20.046 -12.839 1.00 0.00 H new ATOM 652 N GLU A 220 31.301 22.691 -7.993 1.00 0.00 N ATOM 653 CA GLU A 220 31.095 24.133 -8.056 1.00 0.00 C ATOM 654 C GLU A 220 31.944 24.739 -9.173 1.00 0.00 C ATOM 655 O GLU A 220 32.980 25.356 -8.915 1.00 0.00 O ATOM 656 CB GLU A 220 31.468 24.758 -6.705 1.00 0.00 C ATOM 657 CG GLU A 220 31.131 26.253 -6.688 1.00 0.00 C ATOM 658 CD GLU A 220 29.620 26.461 -6.712 1.00 0.00 C ATOM 659 OE1 GLU A 220 28.900 25.482 -6.605 1.00 0.00 O ATOM 660 OE2 GLU A 220 29.204 27.603 -6.829 1.00 0.00 O ATOM 0 H GLU A 220 31.775 22.367 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 220 30.047 24.340 -8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 220 30.932 24.250 -5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 220 32.532 24.618 -6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 220 31.554 26.717 -5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 220 31.585 26.744 -7.549 1.00 0.00 H new ATOM 667 N THR A 221 31.497 24.555 -10.418 1.00 0.00 N ATOM 668 CA THR A 221 32.214 25.079 -11.582 1.00 0.00 C ATOM 669 C THR A 221 33.728 24.971 -11.394 1.00 0.00 C ATOM 670 O THR A 221 34.477 25.847 -11.825 1.00 0.00 O ATOM 671 CB THR A 221 31.818 26.545 -11.845 1.00 0.00 C ATOM 672 OG1 THR A 221 32.494 27.012 -13.004 1.00 0.00 O ATOM 673 CG2 THR A 221 32.186 27.446 -10.651 1.00 0.00 C ATOM 0 H THR A 221 30.642 24.047 -10.645 1.00 0.00 H new ATOM 0 HA THR A 221 31.933 24.475 -12.445 1.00 0.00 H new ATOM 0 HB THR A 221 30.738 26.587 -11.989 1.00 0.00 H new ATOM 0 HG1 THR A 221 33.453 26.831 -12.918 1.00 0.00 H new ATOM 0 HG21 THR A 221 31.894 28.474 -10.867 1.00 0.00 H new ATOM 0 HG22 THR A 221 31.663 27.100 -9.759 1.00 0.00 H new ATOM 0 HG23 THR A 221 33.262 27.403 -10.480 1.00 0.00 H new ATOM 681 N ARG A 222 34.169 23.891 -10.754 1.00 0.00 N ATOM 682 CA ARG A 222 35.596 23.683 -10.518 1.00 0.00 C ATOM 683 C ARG A 222 35.837 22.303 -9.910 1.00 0.00 C ATOM 684 O ARG A 222 36.227 21.414 -10.650 1.00 0.00 O ATOM 685 CB ARG A 222 36.137 24.767 -9.575 1.00 0.00 C ATOM 686 CG ARG A 222 37.655 24.621 -9.426 1.00 0.00 C ATOM 687 CD ARG A 222 38.168 25.661 -8.429 1.00 0.00 C ATOM 688 NE ARG A 222 37.976 27.005 -8.962 1.00 0.00 N ATOM 689 CZ ARG A 222 38.836 27.532 -9.828 1.00 0.00 C ATOM 690 NH1 ARG A 222 39.874 26.840 -10.216 1.00 0.00 N ATOM 691 NH2 ARG A 222 38.643 28.738 -10.288 1.00 0.00 N ATOM 692 OXT ARG A 222 35.632 22.159 -8.717 1.00 0.00 O ATOM 0 H ARG A 222 33.566 23.152 -10.392 1.00 0.00 H new ATOM 0 HA ARG A 222 36.119 23.745 -11.472 1.00 0.00 H new ATOM 0 HB2 ARG A 222 35.895 25.755 -9.966 1.00 0.00 H new ATOM 0 HB3 ARG A 222 35.658 24.684 -8.599 1.00 0.00 H new ATOM 0 HG2 ARG A 222 37.903 23.617 -9.082 1.00 0.00 H new ATOM 0 HG3 ARG A 222 38.141 24.756 -10.392 1.00 0.00 H new ATOM 0 HD2 ARG A 222 37.640 25.559 -7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 222 39.225 25.490 -8.225 1.00 0.00 H new ATOM 0 HE ARG A 222 37.167 27.551 -8.665 1.00 0.00 H new ATOM 0 HH11 ARG A 222 40.023 25.898 -9.855 1.00 0.00 H new ATOM 0 HH12 ARG A 222 40.535 27.242 -10.880 1.00 0.00 H new ATOM 0 HH21 ARG A 222 37.832 29.276 -9.983 1.00 0.00 H new ATOM 0 HH22 ARG A 222 39.303 29.142 -10.952 1.00 0.00 H new TER 706 ARG A 222