USER MOD reduce.3.24.130724 H: found=0, std=0, add=340, rem=0, adj=13 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= -3 K(o=-11,f=-6.3!) USER MOD Set 1.2: A 209 ASN : amide:sc= -7.19! C(o=-11!,f=-6.1!) USER MOD Set 1.3: A 211 THR OG1 : rot 180:sc= -0.579 USER MOD Set 2.1: A 194 GLN : amide:sc= -2.61! K(o=-1.5!,f=-6.8) USER MOD Set 2.2: A 204 TYR OH : rot -54:sc= 1.13 USER MOD Single : A 178 SER OG : rot 180:sc= -0.0318 USER MOD Single : A 180 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.55) USER MOD Single : A 181 SER OG : rot 151:sc= -0.428 USER MOD Single : A 182 SER OG : rot 180:sc= 0 USER MOD Single : A 185 SER OG : rot 180:sc= 0 USER MOD Single : A 197 THR OG1 : rot 180:sc= -0.796 USER MOD Single : A 203 TYR OH : rot 180:sc= 0 USER MOD Single : A 207 HIS : no HD1:sc= -0.0788 X(o=-0.079,f=-0.31) USER MOD Single : A 208 LYS NZ :NH3+ -136:sc= -1.94! (180deg=-3.93!) USER MOD Single : A 210 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0251) USER MOD Single : A 212 THR OG1 : rot 15:sc= 0.429! USER MOD Single : A 213 SER OG : rot 180:sc= 0.00182 USER MOD Single : A 221 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 177 17.931 29.916 -11.544 1.00 0.00 N ATOM 2 CA GLY A 177 19.179 30.729 -11.493 1.00 0.00 C ATOM 3 C GLY A 177 20.315 29.973 -12.173 1.00 0.00 C ATOM 4 O GLY A 177 20.676 28.872 -11.758 1.00 0.00 O ATOM 0 HA2 GLY A 177 19.020 31.687 -11.987 1.00 0.00 H new ATOM 0 HA3 GLY A 177 19.442 30.944 -10.457 1.00 0.00 H new ATOM 10 N SER A 178 20.884 30.572 -13.214 1.00 0.00 N ATOM 11 CA SER A 178 21.985 29.942 -13.932 1.00 0.00 C ATOM 12 C SER A 178 22.394 30.794 -15.136 1.00 0.00 C ATOM 13 O SER A 178 21.598 31.586 -15.640 1.00 0.00 O ATOM 14 CB SER A 178 21.562 28.536 -14.391 1.00 0.00 C ATOM 15 OG SER A 178 22.076 28.277 -15.692 1.00 0.00 O ATOM 0 H SER A 178 20.604 31.484 -13.576 1.00 0.00 H new ATOM 0 HA SER A 178 22.843 29.858 -13.266 1.00 0.00 H new ATOM 0 HB2 SER A 178 21.931 27.788 -13.689 1.00 0.00 H new ATOM 0 HB3 SER A 178 20.475 28.458 -14.398 1.00 0.00 H new ATOM 0 HG SER A 178 21.805 27.380 -15.978 1.00 0.00 H new ATOM 21 N PRO A 179 23.613 30.652 -15.599 1.00 0.00 N ATOM 22 CA PRO A 179 24.124 31.432 -16.767 1.00 0.00 C ATOM 23 C PRO A 179 23.383 31.073 -18.055 1.00 0.00 C ATOM 24 O PRO A 179 23.340 31.863 -19.000 1.00 0.00 O ATOM 25 CB PRO A 179 25.615 31.051 -16.841 1.00 0.00 C ATOM 26 CG PRO A 179 25.715 29.729 -16.147 1.00 0.00 C ATOM 27 CD PRO A 179 24.636 29.737 -15.064 1.00 0.00 C ATOM 0 HA PRO A 179 23.973 32.505 -16.650 1.00 0.00 H new ATOM 0 HB2 PRO A 179 25.953 30.980 -17.875 1.00 0.00 H new ATOM 0 HB3 PRO A 179 26.238 31.800 -16.353 1.00 0.00 H new ATOM 0 HG2 PRO A 179 25.559 28.908 -16.847 1.00 0.00 H new ATOM 0 HG3 PRO A 179 26.704 29.592 -15.711 1.00 0.00 H new ATOM 0 HD2 PRO A 179 24.232 28.739 -14.894 1.00 0.00 H new ATOM 0 HD3 PRO A 179 25.029 30.089 -14.110 1.00 0.00 H new ATOM 35 N ASN A 180 22.796 29.881 -18.082 1.00 0.00 N ATOM 36 CA ASN A 180 22.052 29.431 -19.253 1.00 0.00 C ATOM 37 C ASN A 180 22.933 29.444 -20.500 1.00 0.00 C ATOM 38 O ASN A 180 22.476 29.803 -21.585 1.00 0.00 O ATOM 39 CB ASN A 180 20.842 30.340 -19.485 1.00 0.00 C ATOM 40 CG ASN A 180 19.888 29.699 -20.487 1.00 0.00 C ATOM 41 OD1 ASN A 180 19.741 30.191 -21.605 1.00 0.00 O ATOM 42 ND2 ASN A 180 19.226 28.626 -20.151 1.00 0.00 N ATOM 0 H ASN A 180 22.820 29.213 -17.312 1.00 0.00 H new ATOM 0 HA ASN A 180 21.719 28.410 -19.068 1.00 0.00 H new ATOM 0 HB2 ASN A 180 20.325 30.518 -18.542 1.00 0.00 H new ATOM 0 HB3 ASN A 180 21.172 31.310 -19.855 1.00 0.00 H new ATOM 0 HD21 ASN A 180 18.585 28.193 -20.816 1.00 0.00 H new ATOM 0 HD22 ASN A 180 19.350 28.220 -19.223 1.00 0.00 H new ATOM 49 N SER A 181 24.195 29.046 -20.346 1.00 0.00 N ATOM 50 CA SER A 181 25.124 29.016 -21.481 1.00 0.00 C ATOM 51 C SER A 181 25.144 27.632 -22.120 1.00 0.00 C ATOM 52 O SER A 181 26.190 26.986 -22.203 1.00 0.00 O ATOM 53 CB SER A 181 26.534 29.389 -21.022 1.00 0.00 C ATOM 54 OG SER A 181 26.456 30.480 -20.115 1.00 0.00 O ATOM 0 H SER A 181 24.597 28.743 -19.459 1.00 0.00 H new ATOM 0 HA SER A 181 24.783 29.742 -22.219 1.00 0.00 H new ATOM 0 HB2 SER A 181 27.011 28.535 -20.542 1.00 0.00 H new ATOM 0 HB3 SER A 181 27.150 29.657 -21.880 1.00 0.00 H new ATOM 0 HG SER A 181 27.206 30.436 -19.486 1.00 0.00 H new ATOM 60 N SER A 182 23.977 27.187 -22.574 1.00 0.00 N ATOM 61 CA SER A 182 23.849 25.878 -23.214 1.00 0.00 C ATOM 62 C SER A 182 24.301 24.769 -22.252 1.00 0.00 C ATOM 63 O SER A 182 25.121 25.010 -21.366 1.00 0.00 O ATOM 64 CB SER A 182 24.687 25.836 -24.504 1.00 0.00 C ATOM 65 OG SER A 182 23.898 26.296 -25.594 1.00 0.00 O ATOM 0 H SER A 182 23.105 27.712 -22.512 1.00 0.00 H new ATOM 0 HA SER A 182 22.802 25.713 -23.469 1.00 0.00 H new ATOM 0 HB2 SER A 182 25.575 26.459 -24.395 1.00 0.00 H new ATOM 0 HB3 SER A 182 25.032 24.820 -24.694 1.00 0.00 H new ATOM 0 HG SER A 182 24.430 26.272 -26.416 1.00 0.00 H new ATOM 71 N PRO A 183 23.793 23.569 -22.412 1.00 0.00 N ATOM 72 CA PRO A 183 24.173 22.418 -21.535 1.00 0.00 C ATOM 73 C PRO A 183 25.586 21.915 -21.837 1.00 0.00 C ATOM 74 O PRO A 183 25.841 21.364 -22.908 1.00 0.00 O ATOM 75 CB PRO A 183 23.117 21.351 -21.876 1.00 0.00 C ATOM 76 CG PRO A 183 22.710 21.652 -23.282 1.00 0.00 C ATOM 77 CD PRO A 183 22.804 23.172 -23.433 1.00 0.00 C ATOM 0 HA PRO A 183 24.190 22.684 -20.478 1.00 0.00 H new ATOM 0 HB2 PRO A 183 23.529 20.345 -21.790 1.00 0.00 H new ATOM 0 HB3 PRO A 183 22.266 21.406 -21.197 1.00 0.00 H new ATOM 0 HG2 PRO A 183 23.364 21.148 -23.994 1.00 0.00 H new ATOM 0 HG3 PRO A 183 21.696 21.303 -23.478 1.00 0.00 H new ATOM 0 HD2 PRO A 183 23.128 23.455 -24.435 1.00 0.00 H new ATOM 0 HD3 PRO A 183 21.840 23.651 -23.263 1.00 0.00 H new ATOM 85 N ALA A 184 26.503 22.107 -20.891 1.00 0.00 N ATOM 86 CA ALA A 184 27.892 21.653 -21.093 1.00 0.00 C ATOM 87 C ALA A 184 28.683 21.746 -19.793 1.00 0.00 C ATOM 88 O ALA A 184 29.888 21.497 -19.769 1.00 0.00 O ATOM 89 CB ALA A 184 28.584 22.497 -22.177 1.00 0.00 C ATOM 0 H ALA A 184 26.324 22.562 -19.996 1.00 0.00 H new ATOM 0 HA ALA A 184 27.861 20.612 -21.416 1.00 0.00 H new ATOM 0 HB1 ALA A 184 29.608 22.147 -22.312 1.00 0.00 H new ATOM 0 HB2 ALA A 184 28.040 22.399 -23.117 1.00 0.00 H new ATOM 0 HB3 ALA A 184 28.595 23.543 -21.872 1.00 0.00 H new ATOM 95 N SER A 185 27.995 22.099 -18.709 1.00 0.00 N ATOM 96 CA SER A 185 28.641 22.215 -17.403 1.00 0.00 C ATOM 97 C SER A 185 27.646 21.926 -16.282 1.00 0.00 C ATOM 98 O SER A 185 26.484 22.321 -16.353 1.00 0.00 O ATOM 99 CB SER A 185 29.212 23.622 -17.223 1.00 0.00 C ATOM 100 OG SER A 185 29.919 23.684 -15.990 1.00 0.00 O ATOM 0 H SER A 185 26.997 22.308 -18.708 1.00 0.00 H new ATOM 0 HA SER A 185 29.449 21.485 -17.357 1.00 0.00 H new ATOM 0 HB2 SER A 185 29.878 23.866 -18.051 1.00 0.00 H new ATOM 0 HB3 SER A 185 28.408 24.358 -17.233 1.00 0.00 H new ATOM 0 HG SER A 185 30.289 24.584 -15.870 1.00 0.00 H new ATOM 106 N GLY A 186 28.119 21.232 -15.247 1.00 0.00 N ATOM 107 CA GLY A 186 27.267 20.883 -14.096 1.00 0.00 C ATOM 108 C GLY A 186 26.962 19.387 -14.079 1.00 0.00 C ATOM 109 O GLY A 186 25.803 18.986 -14.170 1.00 0.00 O ATOM 0 H GLY A 186 29.081 20.899 -15.176 1.00 0.00 H new ATOM 0 HA2 GLY A 186 27.766 21.167 -13.169 1.00 0.00 H new ATOM 0 HA3 GLY A 186 26.336 21.448 -14.143 1.00 0.00 H new ATOM 113 N PRO A 187 27.971 18.562 -13.968 1.00 0.00 N ATOM 114 CA PRO A 187 27.802 17.077 -13.941 1.00 0.00 C ATOM 115 C PRO A 187 27.210 16.576 -12.623 1.00 0.00 C ATOM 116 O PRO A 187 27.365 17.210 -11.578 1.00 0.00 O ATOM 117 CB PRO A 187 29.229 16.561 -14.158 1.00 0.00 C ATOM 118 CG PRO A 187 30.102 17.620 -13.567 1.00 0.00 C ATOM 119 CD PRO A 187 29.391 18.948 -13.848 1.00 0.00 C ATOM 0 HA PRO A 187 27.098 16.724 -14.694 1.00 0.00 H new ATOM 0 HB2 PRO A 187 29.383 15.600 -13.667 1.00 0.00 H new ATOM 0 HB3 PRO A 187 29.442 16.416 -15.217 1.00 0.00 H new ATOM 0 HG2 PRO A 187 30.234 17.466 -12.496 1.00 0.00 H new ATOM 0 HG3 PRO A 187 31.095 17.605 -14.016 1.00 0.00 H new ATOM 0 HD2 PRO A 187 29.545 19.664 -13.041 1.00 0.00 H new ATOM 0 HD3 PRO A 187 29.759 19.414 -14.762 1.00 0.00 H new ATOM 127 N LEU A 188 26.543 15.422 -12.682 1.00 0.00 N ATOM 128 CA LEU A 188 25.937 14.813 -11.486 1.00 0.00 C ATOM 129 C LEU A 188 26.354 13.340 -11.386 1.00 0.00 C ATOM 130 O LEU A 188 25.682 12.469 -11.938 1.00 0.00 O ATOM 131 CB LEU A 188 24.388 14.901 -11.544 1.00 0.00 C ATOM 132 CG LEU A 188 23.888 16.340 -11.195 1.00 0.00 C ATOM 133 CD1 LEU A 188 23.623 17.161 -12.470 1.00 0.00 C ATOM 134 CD2 LEU A 188 22.579 16.260 -10.395 1.00 0.00 C ATOM 0 H LEU A 188 26.406 14.888 -13.540 1.00 0.00 H new ATOM 0 HA LEU A 188 26.288 15.360 -10.611 1.00 0.00 H new ATOM 0 HB2 LEU A 188 24.043 14.625 -12.541 1.00 0.00 H new ATOM 0 HB3 LEU A 188 23.954 14.184 -10.847 1.00 0.00 H new ATOM 0 HG LEU A 188 24.667 16.826 -10.608 1.00 0.00 H new ATOM 0 HD11 LEU A 188 23.276 18.157 -12.196 1.00 0.00 H new ATOM 0 HD12 LEU A 188 24.544 17.243 -13.048 1.00 0.00 H new ATOM 0 HD13 LEU A 188 22.861 16.664 -13.071 1.00 0.00 H new ATOM 0 HD21 LEU A 188 22.237 17.267 -10.155 1.00 0.00 H new ATOM 0 HD22 LEU A 188 21.820 15.751 -10.989 1.00 0.00 H new ATOM 0 HD23 LEU A 188 22.750 15.706 -9.472 1.00 0.00 H new ATOM 146 N PRO A 189 27.431 13.033 -10.691 1.00 0.00 N ATOM 147 CA PRO A 189 27.896 11.620 -10.526 1.00 0.00 C ATOM 148 C PRO A 189 26.842 10.755 -9.832 1.00 0.00 C ATOM 149 O PRO A 189 26.092 11.239 -8.984 1.00 0.00 O ATOM 150 CB PRO A 189 29.173 11.741 -9.664 1.00 0.00 C ATOM 151 CG PRO A 189 29.602 13.167 -9.790 1.00 0.00 C ATOM 152 CD PRO A 189 28.326 13.977 -10.000 1.00 0.00 C ATOM 0 HA PRO A 189 28.080 11.134 -11.484 1.00 0.00 H new ATOM 0 HB2 PRO A 189 28.972 11.481 -8.625 1.00 0.00 H new ATOM 0 HB3 PRO A 189 29.951 11.064 -10.017 1.00 0.00 H new ATOM 0 HG2 PRO A 189 30.129 13.496 -8.894 1.00 0.00 H new ATOM 0 HG3 PRO A 189 30.287 13.295 -10.628 1.00 0.00 H new ATOM 0 HD2 PRO A 189 27.903 14.312 -9.053 1.00 0.00 H new ATOM 0 HD3 PRO A 189 28.510 14.868 -10.600 1.00 0.00 H new ATOM 160 N GLU A 190 26.792 9.475 -10.190 1.00 0.00 N ATOM 161 CA GLU A 190 25.816 8.571 -9.574 1.00 0.00 C ATOM 162 C GLU A 190 25.986 8.584 -8.054 1.00 0.00 C ATOM 163 O GLU A 190 27.107 8.662 -7.550 1.00 0.00 O ATOM 164 CB GLU A 190 25.968 7.125 -10.097 1.00 0.00 C ATOM 165 CG GLU A 190 25.441 7.009 -11.537 1.00 0.00 C ATOM 166 CD GLU A 190 26.478 7.528 -12.529 1.00 0.00 C ATOM 167 OE1 GLU A 190 27.500 8.026 -12.086 1.00 0.00 O ATOM 168 OE2 GLU A 190 26.235 7.413 -13.720 1.00 0.00 O ATOM 0 H GLU A 190 27.399 9.044 -10.887 1.00 0.00 H new ATOM 0 HA GLU A 190 24.820 8.924 -9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 190 27.017 6.829 -10.063 1.00 0.00 H new ATOM 0 HB3 GLU A 190 25.423 6.439 -9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 190 25.203 5.969 -11.761 1.00 0.00 H new ATOM 0 HG3 GLU A 190 24.516 7.576 -11.639 1.00 0.00 H new ATOM 175 N GLY A 191 24.867 8.529 -7.325 1.00 0.00 N ATOM 176 CA GLY A 191 24.912 8.556 -5.857 1.00 0.00 C ATOM 177 C GLY A 191 24.737 9.982 -5.347 1.00 0.00 C ATOM 178 O GLY A 191 24.841 10.243 -4.148 1.00 0.00 O ATOM 0 H GLY A 191 23.929 8.466 -7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 191 24.127 7.919 -5.451 1.00 0.00 H new ATOM 0 HA3 GLY A 191 25.862 8.152 -5.508 1.00 0.00 H new ATOM 182 N TRP A 192 24.468 10.898 -6.275 1.00 0.00 N ATOM 183 CA TRP A 192 24.280 12.301 -5.934 1.00 0.00 C ATOM 184 C TRP A 192 23.426 12.983 -6.996 1.00 0.00 C ATOM 185 O TRP A 192 23.950 13.605 -7.922 1.00 0.00 O ATOM 186 CB TRP A 192 25.636 13.009 -5.839 1.00 0.00 C ATOM 187 CG TRP A 192 26.393 12.492 -4.658 1.00 0.00 C ATOM 188 CD1 TRP A 192 27.389 11.579 -4.715 1.00 0.00 C ATOM 189 CD2 TRP A 192 26.246 12.848 -3.254 1.00 0.00 C ATOM 190 NE1 TRP A 192 27.859 11.349 -3.435 1.00 0.00 N ATOM 191 CE2 TRP A 192 27.184 12.106 -2.500 1.00 0.00 C ATOM 192 CE3 TRP A 192 25.395 13.733 -2.566 1.00 0.00 C ATOM 193 CZ2 TRP A 192 27.278 12.235 -1.114 1.00 0.00 C ATOM 194 CZ3 TRP A 192 25.486 13.866 -1.169 1.00 0.00 C ATOM 195 CH2 TRP A 192 26.426 13.118 -0.447 1.00 0.00 C ATOM 0 H TRP A 192 24.376 10.691 -7.269 1.00 0.00 H new ATOM 0 HA TRP A 192 23.777 12.361 -4.969 1.00 0.00 H new ATOM 0 HB2 TRP A 192 26.209 12.843 -6.751 1.00 0.00 H new ATOM 0 HB3 TRP A 192 25.489 14.085 -5.746 1.00 0.00 H new ATOM 0 HD1 TRP A 192 27.757 11.107 -5.614 1.00 0.00 H new ATOM 0 HE1 TRP A 192 28.612 10.699 -3.210 1.00 0.00 H new ATOM 0 HE3 TRP A 192 24.668 14.313 -3.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 28.004 11.657 -0.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 24.828 14.548 -0.650 1.00 0.00 H new ATOM 0 HH2 TRP A 192 26.492 13.225 0.626 1.00 0.00 H new ATOM 206 N GLU A 193 22.107 12.864 -6.856 1.00 0.00 N ATOM 207 CA GLU A 193 21.172 13.482 -7.816 1.00 0.00 C ATOM 208 C GLU A 193 20.393 14.609 -7.140 1.00 0.00 C ATOM 209 O GLU A 193 19.710 14.390 -6.141 1.00 0.00 O ATOM 210 CB GLU A 193 20.192 12.432 -8.375 1.00 0.00 C ATOM 211 CG GLU A 193 19.297 13.083 -9.434 1.00 0.00 C ATOM 212 CD GLU A 193 18.369 12.041 -10.048 1.00 0.00 C ATOM 213 OE1 GLU A 193 18.637 10.863 -9.882 1.00 0.00 O ATOM 214 OE2 GLU A 193 17.400 12.437 -10.674 1.00 0.00 O ATOM 0 H GLU A 193 21.657 12.352 -6.097 1.00 0.00 H new ATOM 0 HA GLU A 193 21.752 13.892 -8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 193 20.744 11.600 -8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 193 19.582 12.023 -7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 193 18.710 13.883 -8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 193 19.911 13.537 -10.211 1.00 0.00 H new ATOM 221 N GLN A 194 20.507 15.818 -7.689 1.00 0.00 N ATOM 222 CA GLN A 194 19.813 16.980 -7.126 1.00 0.00 C ATOM 223 C GLN A 194 18.337 16.964 -7.502 1.00 0.00 C ATOM 224 O GLN A 194 17.978 16.667 -8.641 1.00 0.00 O ATOM 225 CB GLN A 194 20.475 18.274 -7.624 1.00 0.00 C ATOM 226 CG GLN A 194 19.786 19.498 -7.016 1.00 0.00 C ATOM 227 CD GLN A 194 20.462 20.773 -7.510 1.00 0.00 C ATOM 228 OE1 GLN A 194 21.601 20.736 -7.976 1.00 0.00 O ATOM 229 NE2 GLN A 194 19.827 21.908 -7.432 1.00 0.00 N ATOM 0 H GLN A 194 21.068 16.020 -8.517 1.00 0.00 H new ATOM 0 HA GLN A 194 19.887 16.936 -6.039 1.00 0.00 H new ATOM 0 HB2 GLN A 194 21.532 18.275 -7.357 1.00 0.00 H new ATOM 0 HB3 GLN A 194 20.421 18.322 -8.712 1.00 0.00 H new ATOM 0 HG2 GLN A 194 18.731 19.506 -7.290 1.00 0.00 H new ATOM 0 HG3 GLN A 194 19.833 19.449 -5.928 1.00 0.00 H new ATOM 0 HE21 GLN A 194 18.883 21.939 -7.046 1.00 0.00 H new ATOM 0 HE22 GLN A 194 20.274 22.766 -7.757 1.00 0.00 H new ATOM 238 N ALA A 195 17.481 17.284 -6.533 1.00 0.00 N ATOM 239 CA ALA A 195 16.039 17.294 -6.792 1.00 0.00 C ATOM 240 C ALA A 195 15.266 18.021 -5.691 1.00 0.00 C ATOM 241 O ALA A 195 15.796 18.293 -4.614 1.00 0.00 O ATOM 242 CB ALA A 195 15.524 15.858 -6.916 1.00 0.00 C ATOM 0 H ALA A 195 17.750 17.535 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 195 15.876 17.832 -7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 195 14.451 15.872 -7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 195 16.034 15.358 -7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 195 15.719 15.320 -5.988 1.00 0.00 H new ATOM 248 N ILE A 196 14.008 18.342 -5.990 1.00 0.00 N ATOM 249 CA ILE A 196 13.142 19.056 -5.044 1.00 0.00 C ATOM 250 C ILE A 196 12.326 18.076 -4.174 1.00 0.00 C ATOM 251 O ILE A 196 11.753 17.116 -4.686 1.00 0.00 O ATOM 252 CB ILE A 196 12.193 20.018 -5.837 1.00 0.00 C ATOM 253 CG1 ILE A 196 10.773 19.434 -6.030 1.00 0.00 C ATOM 254 CG2 ILE A 196 12.776 20.315 -7.229 1.00 0.00 C ATOM 255 CD1 ILE A 196 10.792 18.146 -6.878 1.00 0.00 C ATOM 0 H ILE A 196 13.562 18.120 -6.880 1.00 0.00 H new ATOM 0 HA ILE A 196 13.768 19.639 -4.369 1.00 0.00 H new ATOM 0 HB ILE A 196 12.117 20.927 -5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 196 10.332 19.221 -5.056 1.00 0.00 H new ATOM 0 HG13 ILE A 196 10.137 20.177 -6.512 1.00 0.00 H new ATOM 0 HG21 ILE A 196 12.106 20.984 -7.769 1.00 0.00 H new ATOM 0 HG22 ILE A 196 13.752 20.788 -7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 196 12.883 19.384 -7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 196 9.775 17.769 -6.989 1.00 0.00 H new ATOM 0 HD12 ILE A 196 11.208 18.364 -7.862 1.00 0.00 H new ATOM 0 HD13 ILE A 196 11.406 17.394 -6.383 1.00 0.00 H new ATOM 267 N THR A 197 12.240 18.342 -2.862 1.00 0.00 N ATOM 268 CA THR A 197 11.450 17.492 -1.974 1.00 0.00 C ATOM 269 C THR A 197 9.974 17.846 -2.131 1.00 0.00 C ATOM 270 O THR A 197 9.656 18.950 -2.562 1.00 0.00 O ATOM 271 CB THR A 197 11.880 17.722 -0.508 1.00 0.00 C ATOM 272 OG1 THR A 197 10.765 17.537 0.350 1.00 0.00 O ATOM 273 CG2 THR A 197 12.411 19.151 -0.323 1.00 0.00 C ATOM 0 H THR A 197 12.702 19.127 -2.403 1.00 0.00 H new ATOM 0 HA THR A 197 11.611 16.446 -2.233 1.00 0.00 H new ATOM 0 HB THR A 197 12.667 17.009 -0.263 1.00 0.00 H new ATOM 0 HG1 THR A 197 11.040 17.682 1.279 1.00 0.00 H new ATOM 0 HG21 THR A 197 12.710 19.297 0.715 1.00 0.00 H new ATOM 0 HG22 THR A 197 13.272 19.306 -0.973 1.00 0.00 H new ATOM 0 HG23 THR A 197 11.629 19.866 -0.579 1.00 0.00 H new ATOM 281 N PRO A 198 9.064 16.965 -1.792 1.00 0.00 N ATOM 282 CA PRO A 198 7.610 17.272 -1.903 1.00 0.00 C ATOM 283 C PRO A 198 7.284 18.661 -1.343 1.00 0.00 C ATOM 284 O PRO A 198 6.287 19.275 -1.725 1.00 0.00 O ATOM 285 CB PRO A 198 6.948 16.164 -1.074 1.00 0.00 C ATOM 286 CG PRO A 198 7.885 15.000 -1.168 1.00 0.00 C ATOM 287 CD PRO A 198 9.297 15.589 -1.296 1.00 0.00 C ATOM 0 HA PRO A 198 7.261 17.295 -2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 198 6.808 16.475 -0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 198 5.963 15.911 -1.467 1.00 0.00 H new ATOM 0 HG2 PRO A 198 7.807 14.367 -0.284 1.00 0.00 H new ATOM 0 HG3 PRO A 198 7.645 14.377 -2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 198 9.817 15.592 -0.338 1.00 0.00 H new ATOM 0 HD3 PRO A 198 9.909 15.012 -1.989 1.00 0.00 H new ATOM 295 N GLU A 199 8.134 19.149 -0.440 1.00 0.00 N ATOM 296 CA GLU A 199 7.927 20.475 0.161 1.00 0.00 C ATOM 297 C GLU A 199 8.224 21.588 -0.852 1.00 0.00 C ATOM 298 O GLU A 199 7.744 22.712 -0.705 1.00 0.00 O ATOM 299 CB GLU A 199 8.823 20.637 1.398 1.00 0.00 C ATOM 300 CG GLU A 199 8.538 21.985 2.065 1.00 0.00 C ATOM 301 CD GLU A 199 9.354 22.113 3.346 1.00 0.00 C ATOM 302 OE1 GLU A 199 10.254 21.311 3.534 1.00 0.00 O ATOM 303 OE2 GLU A 199 9.064 23.008 4.123 1.00 0.00 O ATOM 0 H GLU A 199 8.964 18.657 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 199 6.882 20.556 0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 199 8.639 19.825 2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 199 9.873 20.577 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 199 8.786 22.798 1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 199 7.475 22.072 2.290 1.00 0.00 H new ATOM 310 N GLY A 200 9.008 21.269 -1.885 1.00 0.00 N ATOM 311 CA GLY A 200 9.351 22.257 -2.920 1.00 0.00 C ATOM 312 C GLY A 200 10.738 22.870 -2.681 1.00 0.00 C ATOM 313 O GLY A 200 11.161 23.749 -3.431 1.00 0.00 O ATOM 0 H GLY A 200 9.415 20.345 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 200 9.327 21.781 -3.900 1.00 0.00 H new ATOM 0 HA3 GLY A 200 8.601 23.048 -2.932 1.00 0.00 H new ATOM 317 N GLU A 201 11.451 22.414 -1.638 1.00 0.00 N ATOM 318 CA GLU A 201 12.786 22.950 -1.346 1.00 0.00 C ATOM 319 C GLU A 201 13.856 22.158 -2.093 1.00 0.00 C ATOM 320 O GLU A 201 13.930 20.937 -1.973 1.00 0.00 O ATOM 321 CB GLU A 201 13.060 22.862 0.162 1.00 0.00 C ATOM 322 CG GLU A 201 12.129 23.809 0.922 1.00 0.00 C ATOM 323 CD GLU A 201 12.426 25.257 0.549 1.00 0.00 C ATOM 324 OE1 GLU A 201 13.515 25.514 0.063 1.00 0.00 O ATOM 325 OE2 GLU A 201 11.556 26.089 0.751 1.00 0.00 O ATOM 0 H GLU A 201 11.131 21.689 -0.995 1.00 0.00 H new ATOM 0 HA GLU A 201 12.819 23.990 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 201 12.911 21.839 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 201 14.099 23.120 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 201 11.091 23.572 0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 201 12.255 23.670 1.996 1.00 0.00 H new ATOM 332 N ILE A 202 14.686 22.854 -2.868 1.00 0.00 N ATOM 333 CA ILE A 202 15.743 22.179 -3.617 1.00 0.00 C ATOM 334 C ILE A 202 16.800 21.663 -2.650 1.00 0.00 C ATOM 335 O ILE A 202 17.239 22.368 -1.741 1.00 0.00 O ATOM 336 CB ILE A 202 16.312 23.126 -4.720 1.00 0.00 C ATOM 337 CG1 ILE A 202 16.477 22.371 -6.073 1.00 0.00 C ATOM 338 CG2 ILE A 202 17.669 23.715 -4.299 1.00 0.00 C ATOM 339 CD1 ILE A 202 16.346 23.343 -7.246 1.00 0.00 C ATOM 0 H ILE A 202 14.649 23.866 -2.993 1.00 0.00 H new ATOM 0 HA ILE A 202 15.344 21.311 -4.142 1.00 0.00 H new ATOM 0 HB ILE A 202 15.597 23.938 -4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 202 17.450 21.880 -6.106 1.00 0.00 H new ATOM 0 HG13 ILE A 202 15.722 21.589 -6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 202 18.041 24.370 -5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 202 17.548 24.286 -3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 202 18.381 22.906 -4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 202 16.464 22.800 -8.184 1.00 0.00 H new ATOM 0 HD12 ILE A 202 15.363 23.814 -7.220 1.00 0.00 H new ATOM 0 HD13 ILE A 202 17.118 24.109 -7.171 1.00 0.00 H new ATOM 351 N TYR A 203 17.173 20.403 -2.846 1.00 0.00 N ATOM 352 CA TYR A 203 18.149 19.756 -1.974 1.00 0.00 C ATOM 353 C TYR A 203 18.843 18.605 -2.715 1.00 0.00 C ATOM 354 O TYR A 203 18.401 18.196 -3.788 1.00 0.00 O ATOM 355 CB TYR A 203 17.464 19.304 -0.655 1.00 0.00 C ATOM 356 CG TYR A 203 16.665 18.015 -0.815 1.00 0.00 C ATOM 357 CD1 TYR A 203 15.510 17.976 -1.613 1.00 0.00 C ATOM 358 CD2 TYR A 203 17.069 16.852 -0.140 1.00 0.00 C ATOM 359 CE1 TYR A 203 14.777 16.794 -1.737 1.00 0.00 C ATOM 360 CE2 TYR A 203 16.332 15.670 -0.258 1.00 0.00 C ATOM 361 CZ TYR A 203 15.184 15.641 -1.058 1.00 0.00 C ATOM 362 OH TYR A 203 14.458 14.474 -1.178 1.00 0.00 O ATOM 0 H TYR A 203 16.817 19.811 -3.597 1.00 0.00 H new ATOM 0 HA TYR A 203 18.929 20.466 -1.700 1.00 0.00 H new ATOM 0 HB2 TYR A 203 18.224 19.162 0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 203 16.801 20.096 -0.305 1.00 0.00 H new ATOM 0 HD1 TYR A 203 15.187 18.865 -2.134 1.00 0.00 H new ATOM 0 HD2 TYR A 203 17.956 16.871 0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 203 13.894 16.770 -2.358 1.00 0.00 H new ATOM 0 HE2 TYR A 203 16.648 14.781 0.267 1.00 0.00 H new ATOM 0 HH TYR A 203 14.879 13.770 -0.642 1.00 0.00 H new ATOM 372 N TYR A 204 19.958 18.119 -2.163 1.00 0.00 N ATOM 373 CA TYR A 204 20.744 17.053 -2.803 1.00 0.00 C ATOM 374 C TYR A 204 20.468 15.691 -2.139 1.00 0.00 C ATOM 375 O TYR A 204 20.285 15.618 -0.924 1.00 0.00 O ATOM 376 CB TYR A 204 22.236 17.429 -2.672 1.00 0.00 C ATOM 377 CG TYR A 204 22.672 18.346 -3.809 1.00 0.00 C ATOM 378 CD1 TYR A 204 21.952 19.519 -4.108 1.00 0.00 C ATOM 379 CD2 TYR A 204 23.819 18.029 -4.555 1.00 0.00 C ATOM 380 CE1 TYR A 204 22.381 20.358 -5.141 1.00 0.00 C ATOM 381 CE2 TYR A 204 24.244 18.873 -5.584 1.00 0.00 C ATOM 382 CZ TYR A 204 23.528 20.037 -5.877 1.00 0.00 C ATOM 383 OH TYR A 204 23.954 20.871 -6.892 1.00 0.00 O ATOM 0 H TYR A 204 20.339 18.445 -1.275 1.00 0.00 H new ATOM 0 HA TYR A 204 20.465 16.960 -3.853 1.00 0.00 H new ATOM 0 HB2 TYR A 204 22.407 17.923 -1.716 1.00 0.00 H new ATOM 0 HB3 TYR A 204 22.844 16.524 -2.676 1.00 0.00 H new ATOM 0 HD1 TYR A 204 21.069 19.770 -3.540 1.00 0.00 H new ATOM 0 HD2 TYR A 204 24.374 17.130 -4.332 1.00 0.00 H new ATOM 0 HE1 TYR A 204 21.826 21.256 -5.372 1.00 0.00 H new ATOM 0 HE2 TYR A 204 25.127 18.626 -6.154 1.00 0.00 H new ATOM 0 HH TYR A 204 23.218 21.022 -7.522 1.00 0.00 H new ATOM 393 N ILE A 205 20.416 14.612 -2.947 1.00 0.00 N ATOM 394 CA ILE A 205 20.135 13.270 -2.426 1.00 0.00 C ATOM 395 C ILE A 205 21.371 12.378 -2.493 1.00 0.00 C ATOM 396 O ILE A 205 21.991 12.238 -3.544 1.00 0.00 O ATOM 397 CB ILE A 205 19.031 12.607 -3.267 1.00 0.00 C ATOM 398 CG1 ILE A 205 17.915 13.628 -3.559 1.00 0.00 C ATOM 399 CG2 ILE A 205 18.463 11.415 -2.494 1.00 0.00 C ATOM 400 CD1 ILE A 205 16.667 12.915 -4.095 1.00 0.00 C ATOM 0 H ILE A 205 20.565 14.649 -3.955 1.00 0.00 H new ATOM 0 HA ILE A 205 19.823 13.381 -1.387 1.00 0.00 H new ATOM 0 HB ILE A 205 19.446 12.261 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 205 17.667 14.175 -2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 205 18.264 14.360 -4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 205 17.679 10.939 -3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 205 19.258 10.695 -2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 205 18.046 11.760 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 205 15.887 13.649 -4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 205 16.916 12.388 -5.016 1.00 0.00 H new ATOM 0 HD13 ILE A 205 16.310 12.200 -3.354 1.00 0.00 H new ATOM 412 N ASN A 206 21.695 11.747 -1.364 1.00 0.00 N ATOM 413 CA ASN A 206 22.837 10.827 -1.292 1.00 0.00 C ATOM 414 C ASN A 206 22.323 9.389 -1.252 1.00 0.00 C ATOM 415 O ASN A 206 21.918 8.905 -0.196 1.00 0.00 O ATOM 416 CB ASN A 206 23.675 11.098 -0.031 1.00 0.00 C ATOM 417 CG ASN A 206 24.959 10.277 -0.072 1.00 0.00 C ATOM 418 OD1 ASN A 206 25.452 9.942 -1.149 1.00 0.00 O ATOM 419 ND2 ASN A 206 25.525 9.919 1.048 1.00 0.00 N ATOM 0 H ASN A 206 21.186 11.854 -0.487 1.00 0.00 H new ATOM 0 HA ASN A 206 23.464 10.980 -2.170 1.00 0.00 H new ATOM 0 HB2 ASN A 206 23.914 12.159 0.036 1.00 0.00 H new ATOM 0 HB3 ASN A 206 23.100 10.844 0.859 1.00 0.00 H new ATOM 0 HD21 ASN A 206 26.378 9.360 1.032 1.00 0.00 H new ATOM 0 HD22 ASN A 206 25.114 10.198 1.939 1.00 0.00 H new ATOM 426 N HIS A 207 22.322 8.708 -2.400 1.00 0.00 N ATOM 427 CA HIS A 207 21.830 7.331 -2.448 1.00 0.00 C ATOM 428 C HIS A 207 22.905 6.362 -1.979 1.00 0.00 C ATOM 429 O HIS A 207 22.817 5.158 -2.213 1.00 0.00 O ATOM 430 CB HIS A 207 21.371 6.966 -3.863 1.00 0.00 C ATOM 431 CG HIS A 207 20.211 7.837 -4.253 1.00 0.00 C ATOM 432 ND1 HIS A 207 18.910 7.551 -3.869 1.00 0.00 N ATOM 433 CD2 HIS A 207 20.138 8.992 -4.993 1.00 0.00 C ATOM 434 CE1 HIS A 207 18.117 8.513 -4.374 1.00 0.00 C ATOM 435 NE2 HIS A 207 18.815 9.416 -5.068 1.00 0.00 N ATOM 0 H HIS A 207 22.650 9.079 -3.292 1.00 0.00 H new ATOM 0 HA HIS A 207 20.974 7.255 -1.777 1.00 0.00 H new ATOM 0 HB2 HIS A 207 22.192 7.097 -4.568 1.00 0.00 H new ATOM 0 HB3 HIS A 207 21.081 5.916 -3.903 1.00 0.00 H new ATOM 0 HD2 HIS A 207 20.979 9.494 -5.447 1.00 0.00 H new ATOM 0 HE1 HIS A 207 17.047 8.551 -4.235 1.00 0.00 H new ATOM 0 HE2 HIS A 207 18.455 10.240 -5.550 1.00 0.00 H new ATOM 443 N LYS A 208 23.909 6.901 -1.292 1.00 0.00 N ATOM 444 CA LYS A 208 24.996 6.084 -0.760 1.00 0.00 C ATOM 445 C LYS A 208 24.656 5.623 0.654 1.00 0.00 C ATOM 446 O LYS A 208 25.322 4.750 1.213 1.00 0.00 O ATOM 447 CB LYS A 208 26.296 6.892 -0.737 1.00 0.00 C ATOM 448 CG LYS A 208 26.801 7.096 -2.169 1.00 0.00 C ATOM 449 CD LYS A 208 28.070 7.950 -2.152 1.00 0.00 C ATOM 450 CE LYS A 208 28.551 8.174 -3.586 1.00 0.00 C ATOM 451 NZ LYS A 208 29.752 9.056 -3.575 1.00 0.00 N ATOM 0 H LYS A 208 23.992 7.898 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 208 25.127 5.212 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 208 26.127 7.857 -0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 208 27.049 6.371 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 208 27.007 6.131 -2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 208 26.032 7.582 -2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 208 27.871 8.907 -1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 208 28.847 7.455 -1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 208 28.792 7.219 -4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 208 27.758 8.629 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 29.664 9.771 -4.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 29.827 9.529 -2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 30.605 8.484 -3.740 1.00 0.00 H new ATOM 465 N ASN A 209 23.611 6.216 1.226 1.00 0.00 N ATOM 466 CA ASN A 209 23.180 5.863 2.576 1.00 0.00 C ATOM 467 C ASN A 209 21.707 6.211 2.775 1.00 0.00 C ATOM 468 O ASN A 209 21.175 6.091 3.877 1.00 0.00 O ATOM 469 CB ASN A 209 24.029 6.609 3.609 1.00 0.00 C ATOM 470 CG ASN A 209 24.157 8.078 3.217 1.00 0.00 C ATOM 471 OD1 ASN A 209 25.122 8.740 3.595 1.00 0.00 O ATOM 472 ND2 ASN A 209 23.231 8.629 2.480 1.00 0.00 N ATOM 0 H ASN A 209 23.049 6.940 0.778 1.00 0.00 H new ATOM 0 HA ASN A 209 23.309 4.789 2.710 1.00 0.00 H new ATOM 0 HB2 ASN A 209 23.573 6.526 4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 209 25.017 6.155 3.676 1.00 0.00 H new ATOM 0 HD21 ASN A 209 23.307 9.611 2.216 1.00 0.00 H new ATOM 0 HD22 ASN A 209 22.432 8.077 2.168 1.00 0.00 H new ATOM 479 N LYS A 210 21.055 6.632 1.695 1.00 0.00 N ATOM 480 CA LYS A 210 19.652 6.988 1.748 1.00 0.00 C ATOM 481 C LYS A 210 19.413 8.067 2.803 1.00 0.00 C ATOM 482 O LYS A 210 18.677 7.857 3.767 1.00 0.00 O ATOM 483 CB LYS A 210 18.818 5.747 2.067 1.00 0.00 C ATOM 484 CG LYS A 210 17.333 6.041 1.837 1.00 0.00 C ATOM 485 CD LYS A 210 16.996 6.072 0.334 1.00 0.00 C ATOM 486 CE LYS A 210 15.481 5.948 0.142 1.00 0.00 C ATOM 487 NZ LYS A 210 14.819 7.180 0.655 1.00 0.00 N ATOM 0 H LYS A 210 21.482 6.733 0.774 1.00 0.00 H new ATOM 0 HA LYS A 210 19.352 7.383 0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 210 19.134 4.915 1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 210 18.981 5.445 3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 210 16.728 5.281 2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 210 17.075 6.998 2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 210 17.354 7.001 -0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 210 17.505 5.257 -0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 210 15.247 5.807 -0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 210 15.106 5.072 0.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 13.803 7.145 0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 14.949 7.241 1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 15.242 8.015 0.203 1.00 0.00 H new ATOM 501 N THR A 211 20.046 9.226 2.614 1.00 0.00 N ATOM 502 CA THR A 211 19.902 10.344 3.549 1.00 0.00 C ATOM 503 C THR A 211 19.682 11.646 2.786 1.00 0.00 C ATOM 504 O THR A 211 19.986 11.741 1.597 1.00 0.00 O ATOM 505 CB THR A 211 21.159 10.477 4.415 1.00 0.00 C ATOM 506 OG1 THR A 211 22.259 10.846 3.594 1.00 0.00 O ATOM 507 CG2 THR A 211 21.466 9.148 5.110 1.00 0.00 C ATOM 0 H THR A 211 20.662 9.415 1.824 1.00 0.00 H new ATOM 0 HA THR A 211 19.040 10.147 4.187 1.00 0.00 H new ATOM 0 HB THR A 211 20.989 11.242 5.173 1.00 0.00 H new ATOM 0 HG1 THR A 211 23.064 10.933 4.146 1.00 0.00 H new ATOM 0 HG21 THR A 211 22.361 9.256 5.722 1.00 0.00 H new ATOM 0 HG22 THR A 211 20.625 8.866 5.744 1.00 0.00 H new ATOM 0 HG23 THR A 211 21.630 8.375 4.360 1.00 0.00 H new ATOM 515 N THR A 212 19.152 12.650 3.482 1.00 0.00 N ATOM 516 CA THR A 212 18.893 13.958 2.872 1.00 0.00 C ATOM 517 C THR A 212 19.897 14.982 3.401 1.00 0.00 C ATOM 518 O THR A 212 20.142 15.036 4.607 1.00 0.00 O ATOM 519 CB THR A 212 17.482 14.423 3.238 1.00 0.00 C ATOM 520 OG1 THR A 212 17.429 14.701 4.630 1.00 0.00 O ATOM 521 CG2 THR A 212 16.470 13.330 2.899 1.00 0.00 C ATOM 0 H THR A 212 18.893 12.586 4.467 1.00 0.00 H new ATOM 0 HA THR A 212 18.989 13.870 1.790 1.00 0.00 H new ATOM 0 HB THR A 212 17.239 15.322 2.672 1.00 0.00 H new ATOM 0 HG1 THR A 212 18.340 14.770 4.985 1.00 0.00 H new ATOM 0 HG21 THR A 212 15.468 13.668 3.162 1.00 0.00 H new ATOM 0 HG22 THR A 212 16.512 13.114 1.831 1.00 0.00 H new ATOM 0 HG23 THR A 212 16.708 12.427 3.461 1.00 0.00 H new ATOM 529 N SER A 213 20.478 15.807 2.521 1.00 0.00 N ATOM 530 CA SER A 213 21.443 16.818 2.986 1.00 0.00 C ATOM 531 C SER A 213 21.418 18.058 2.084 1.00 0.00 C ATOM 532 O SER A 213 21.125 17.960 0.893 1.00 0.00 O ATOM 533 CB SER A 213 22.857 16.225 3.032 1.00 0.00 C ATOM 534 OG SER A 213 23.770 17.224 3.467 1.00 0.00 O ATOM 0 H SER A 213 20.307 15.800 1.515 1.00 0.00 H new ATOM 0 HA SER A 213 21.155 17.122 3.992 1.00 0.00 H new ATOM 0 HB2 SER A 213 22.884 15.371 3.709 1.00 0.00 H new ATOM 0 HB3 SER A 213 23.143 15.859 2.046 1.00 0.00 H new ATOM 0 HG SER A 213 24.675 16.849 3.499 1.00 0.00 H new ATOM 540 N TRP A 214 21.724 19.229 2.659 1.00 0.00 N ATOM 541 CA TRP A 214 21.727 20.481 1.885 1.00 0.00 C ATOM 542 C TRP A 214 23.085 20.703 1.225 1.00 0.00 C ATOM 543 O TRP A 214 23.367 21.788 0.716 1.00 0.00 O ATOM 544 CB TRP A 214 21.380 21.687 2.778 1.00 0.00 C ATOM 545 CG TRP A 214 20.319 21.287 3.776 1.00 0.00 C ATOM 546 CD1 TRP A 214 20.558 20.845 5.041 1.00 0.00 C ATOM 547 CD2 TRP A 214 18.857 21.282 3.617 1.00 0.00 C ATOM 548 NE1 TRP A 214 19.352 20.576 5.659 1.00 0.00 N ATOM 549 CE2 TRP A 214 18.279 20.829 4.830 1.00 0.00 C ATOM 550 CE3 TRP A 214 17.980 21.621 2.558 1.00 0.00 C ATOM 551 CZ2 TRP A 214 16.896 20.717 4.988 1.00 0.00 C ATOM 552 CZ3 TRP A 214 16.588 21.508 2.721 1.00 0.00 C ATOM 553 CH2 TRP A 214 16.049 21.057 3.931 1.00 0.00 C ATOM 0 H TRP A 214 21.970 19.337 3.643 1.00 0.00 H new ATOM 0 HA TRP A 214 20.965 20.391 1.111 1.00 0.00 H new ATOM 0 HB2 TRP A 214 22.272 22.035 3.299 1.00 0.00 H new ATOM 0 HB3 TRP A 214 21.024 22.516 2.166 1.00 0.00 H new ATOM 0 HD1 TRP A 214 21.533 20.724 5.489 1.00 0.00 H new ATOM 0 HE1 TRP A 214 19.265 20.231 6.615 1.00 0.00 H new ATOM 0 HE3 TRP A 214 18.383 21.969 1.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 214 16.483 20.369 5.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 214 15.930 21.771 1.906 1.00 0.00 H new ATOM 0 HH2 TRP A 214 14.979 20.972 4.047 1.00 0.00 H new ATOM 564 N LEU A 215 23.922 19.668 1.242 1.00 0.00 N ATOM 565 CA LEU A 215 25.253 19.743 0.651 1.00 0.00 C ATOM 566 C LEU A 215 25.202 20.516 -0.677 1.00 0.00 C ATOM 567 O LEU A 215 24.659 20.032 -1.668 1.00 0.00 O ATOM 568 CB LEU A 215 25.787 18.285 0.468 1.00 0.00 C ATOM 569 CG LEU A 215 26.896 18.160 -0.628 1.00 0.00 C ATOM 570 CD1 LEU A 215 28.064 17.291 -0.117 1.00 0.00 C ATOM 571 CD2 LEU A 215 26.326 17.502 -1.905 1.00 0.00 C ATOM 0 H LEU A 215 23.699 18.765 1.661 1.00 0.00 H new ATOM 0 HA LEU A 215 25.937 20.287 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 215 26.185 17.930 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 215 24.954 17.632 0.207 1.00 0.00 H new ATOM 0 HG LEU A 215 27.251 19.165 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 215 28.827 17.214 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 215 28.496 17.749 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 215 27.696 16.295 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 215 27.112 17.424 -2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 215 25.952 16.506 -1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 215 25.511 18.111 -2.295 1.00 0.00 H new ATOM 583 N ASP A 216 25.764 21.731 -0.678 1.00 0.00 N ATOM 584 CA ASP A 216 25.776 22.566 -1.878 1.00 0.00 C ATOM 585 C ASP A 216 26.248 21.741 -3.085 1.00 0.00 C ATOM 586 O ASP A 216 26.576 20.564 -2.940 1.00 0.00 O ATOM 587 CB ASP A 216 26.689 23.795 -1.660 1.00 0.00 C ATOM 588 CG ASP A 216 26.896 24.049 -0.169 1.00 0.00 C ATOM 589 OD1 ASP A 216 25.968 24.526 0.465 1.00 0.00 O ATOM 590 OD2 ASP A 216 27.982 23.773 0.314 1.00 0.00 O ATOM 0 H ASP A 216 26.213 22.153 0.135 1.00 0.00 H new ATOM 0 HA ASP A 216 24.765 22.922 -2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 216 27.652 23.631 -2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 216 26.244 24.674 -2.126 1.00 0.00 H new ATOM 595 N PRO A 217 26.276 22.316 -4.266 1.00 0.00 N ATOM 596 CA PRO A 217 26.708 21.581 -5.495 1.00 0.00 C ATOM 597 C PRO A 217 28.145 21.064 -5.383 1.00 0.00 C ATOM 598 O PRO A 217 29.005 21.706 -4.781 1.00 0.00 O ATOM 599 CB PRO A 217 26.568 22.619 -6.626 1.00 0.00 C ATOM 600 CG PRO A 217 25.664 23.680 -6.083 1.00 0.00 C ATOM 601 CD PRO A 217 25.908 23.709 -4.576 1.00 0.00 C ATOM 0 HA PRO A 217 26.106 20.689 -5.669 1.00 0.00 H new ATOM 0 HB2 PRO A 217 27.538 23.033 -6.902 1.00 0.00 H new ATOM 0 HB3 PRO A 217 26.148 22.167 -7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 217 25.884 24.648 -6.533 1.00 0.00 H new ATOM 0 HG3 PRO A 217 24.621 23.455 -6.305 1.00 0.00 H new ATOM 0 HD2 PRO A 217 26.705 24.404 -4.311 1.00 0.00 H new ATOM 0 HD3 PRO A 217 25.018 24.021 -4.030 1.00 0.00 H new ATOM 609 N ARG A 218 28.381 19.890 -5.956 1.00 0.00 N ATOM 610 CA ARG A 218 29.699 19.264 -5.909 1.00 0.00 C ATOM 611 C ARG A 218 30.761 20.055 -6.687 1.00 0.00 C ATOM 612 O ARG A 218 31.912 20.116 -6.250 1.00 0.00 O ATOM 613 CB ARG A 218 29.624 17.835 -6.472 1.00 0.00 C ATOM 614 CG ARG A 218 30.955 17.085 -6.234 1.00 0.00 C ATOM 615 CD ARG A 218 31.113 15.990 -7.287 1.00 0.00 C ATOM 616 NE ARG A 218 32.297 15.179 -7.016 1.00 0.00 N ATOM 617 CZ ARG A 218 33.501 15.558 -7.436 1.00 0.00 C ATOM 618 NH1 ARG A 218 33.644 16.689 -8.070 1.00 0.00 N ATOM 619 NH2 ARG A 218 34.541 14.802 -7.211 1.00 0.00 N ATOM 0 H ARG A 218 27.677 19.351 -6.460 1.00 0.00 H new ATOM 0 HA ARG A 218 30.000 19.247 -4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 218 28.806 17.294 -5.997 1.00 0.00 H new ATOM 0 HB3 ARG A 218 29.406 17.870 -7.539 1.00 0.00 H new ATOM 0 HG2 ARG A 218 31.792 17.781 -6.288 1.00 0.00 H new ATOM 0 HG3 ARG A 218 30.966 16.649 -5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 218 30.226 15.356 -7.295 1.00 0.00 H new ATOM 0 HD3 ARG A 218 31.193 16.439 -8.277 1.00 0.00 H new ATOM 0 HE ARG A 218 32.199 14.307 -6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 218 32.833 17.282 -8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 218 34.567 16.980 -8.392 1.00 0.00 H new ATOM 0 HH21 ARG A 218 34.431 13.919 -6.712 1.00 0.00 H new ATOM 0 HH22 ARG A 218 35.463 15.094 -7.534 1.00 0.00 H new ATOM 633 N LEU A 219 30.406 20.628 -7.850 1.00 0.00 N ATOM 634 CA LEU A 219 31.398 21.361 -8.661 1.00 0.00 C ATOM 635 C LEU A 219 30.953 22.801 -8.931 1.00 0.00 C ATOM 636 O LEU A 219 30.561 23.133 -10.049 1.00 0.00 O ATOM 637 CB LEU A 219 31.613 20.644 -10.013 1.00 0.00 C ATOM 638 CG LEU A 219 32.766 21.290 -10.812 1.00 0.00 C ATOM 639 CD1 LEU A 219 34.129 20.989 -10.155 1.00 0.00 C ATOM 640 CD2 LEU A 219 32.753 20.724 -12.237 1.00 0.00 C ATOM 0 H LEU A 219 29.465 20.601 -8.243 1.00 0.00 H new ATOM 0 HA LEU A 219 32.329 21.384 -8.094 1.00 0.00 H new ATOM 0 HB2 LEU A 219 31.834 19.591 -9.838 1.00 0.00 H new ATOM 0 HB3 LEU A 219 30.695 20.684 -10.599 1.00 0.00 H new ATOM 0 HG LEU A 219 32.625 22.371 -10.827 1.00 0.00 H new ATOM 0 HD11 LEU A 219 34.924 21.455 -10.737 1.00 0.00 H new ATOM 0 HD12 LEU A 219 34.140 21.388 -9.141 1.00 0.00 H new ATOM 0 HD13 LEU A 219 34.287 19.911 -10.123 1.00 0.00 H new ATOM 0 HD21 LEU A 219 33.563 21.171 -12.814 1.00 0.00 H new ATOM 0 HD22 LEU A 219 32.888 19.643 -12.200 1.00 0.00 H new ATOM 0 HD23 LEU A 219 31.799 20.955 -12.711 1.00 0.00 H new ATOM 652 N GLU A 220 31.038 23.658 -7.915 1.00 0.00 N ATOM 653 CA GLU A 220 30.666 25.069 -8.067 1.00 0.00 C ATOM 654 C GLU A 220 31.524 25.933 -7.150 1.00 0.00 C ATOM 655 O GLU A 220 31.241 27.114 -6.945 1.00 0.00 O ATOM 656 CB GLU A 220 29.185 25.290 -7.729 1.00 0.00 C ATOM 657 CG GLU A 220 28.282 24.645 -8.793 1.00 0.00 C ATOM 658 CD GLU A 220 28.489 25.323 -10.144 1.00 0.00 C ATOM 659 OE1 GLU A 220 29.004 26.429 -10.157 1.00 0.00 O ATOM 660 OE2 GLU A 220 28.137 24.724 -11.147 1.00 0.00 O ATOM 0 H GLU A 220 31.359 23.405 -6.981 1.00 0.00 H new ATOM 0 HA GLU A 220 30.833 25.351 -9.107 1.00 0.00 H new ATOM 0 HB2 GLU A 220 28.963 24.865 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 220 28.977 26.358 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 220 28.506 23.581 -8.874 1.00 0.00 H new ATOM 0 HG3 GLU A 220 27.238 24.729 -8.493 1.00 0.00 H new ATOM 667 N THR A 221 32.577 25.334 -6.604 1.00 0.00 N ATOM 668 CA THR A 221 33.482 26.056 -5.712 1.00 0.00 C ATOM 669 C THR A 221 34.745 25.223 -5.441 1.00 0.00 C ATOM 670 O THR A 221 34.651 24.098 -4.953 1.00 0.00 O ATOM 671 CB THR A 221 32.749 26.414 -4.392 1.00 0.00 C ATOM 672 OG1 THR A 221 33.269 27.637 -3.893 1.00 0.00 O ATOM 673 CG2 THR A 221 32.903 25.320 -3.307 1.00 0.00 C ATOM 0 H THR A 221 32.825 24.357 -6.761 1.00 0.00 H new ATOM 0 HA THR A 221 33.793 26.984 -6.192 1.00 0.00 H new ATOM 0 HB THR A 221 31.687 26.500 -4.620 1.00 0.00 H new ATOM 0 HG1 THR A 221 32.810 27.872 -3.060 1.00 0.00 H new ATOM 0 HG21 THR A 221 32.370 25.624 -2.406 1.00 0.00 H new ATOM 0 HG22 THR A 221 32.488 24.382 -3.675 1.00 0.00 H new ATOM 0 HG23 THR A 221 33.959 25.183 -3.075 1.00 0.00 H new ATOM 681 N ARG A 222 35.923 25.771 -5.764 1.00 0.00 N ATOM 682 CA ARG A 222 37.172 25.046 -5.542 1.00 0.00 C ATOM 683 C ARG A 222 37.135 23.703 -6.262 1.00 0.00 C ATOM 684 O ARG A 222 37.498 23.665 -7.426 1.00 0.00 O ATOM 685 CB ARG A 222 37.388 24.817 -4.041 1.00 0.00 C ATOM 686 CG ARG A 222 38.755 24.169 -3.804 1.00 0.00 C ATOM 687 CD ARG A 222 38.955 23.947 -2.304 1.00 0.00 C ATOM 688 NE ARG A 222 37.961 23.010 -1.794 1.00 0.00 N ATOM 689 CZ ARG A 222 37.915 22.694 -0.503 1.00 0.00 C ATOM 690 NH1 ARG A 222 38.802 23.187 0.318 1.00 0.00 N ATOM 691 NH2 ARG A 222 36.995 21.883 -0.060 1.00 0.00 N ATOM 692 OXT ARG A 222 36.737 22.730 -5.641 1.00 0.00 O ATOM 0 H ARG A 222 36.034 26.699 -6.173 1.00 0.00 H new ATOM 0 HA ARG A 222 37.995 25.642 -5.937 1.00 0.00 H new ATOM 0 HB2 ARG A 222 37.328 25.765 -3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 222 36.599 24.178 -3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 222 38.817 23.219 -4.335 1.00 0.00 H new ATOM 0 HG3 ARG A 222 39.546 24.807 -4.198 1.00 0.00 H new ATOM 0 HD2 ARG A 222 39.957 23.562 -2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 222 38.875 24.897 -1.775 1.00 0.00 H new ATOM 0 HE ARG A 222 37.290 22.590 -2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 222 39.528 23.813 -0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 222 38.769 22.946 1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 222 36.309 21.490 -0.704 1.00 0.00 H new ATOM 0 HH22 ARG A 222 36.962 21.642 0.931 1.00 0.00 H new TER 706 ARG A 222