USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 297 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 191 ASN : amide:sc= 0.0263 K(o=0.29,f=-4.4!) USER MOD Set 1.2: A 198 THR OG1 : rot 122:sc= 0.266 USER MOD Single : A 179 MET CE :methyl 171:sc= -6.51! (180deg=-7.6!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot 171:sc= -2.33! USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 184 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 186 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 188 TYR OH : rot 180:sc= -1.48! USER MOD Single : A 192 HIS : no HD1:sc= -1.3! C(o=-1.3!,f=-5.7!) USER MOD Single : A 195 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 196 THR OG1 : rot 180:sc= -0.602 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= -1.26 K(o=-1.3,f=-6.1!) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 45 N LEU A 173 9.384 3.489 5.719 1.00 15.00 N ATOM 46 CA LEU A 173 8.245 3.524 4.820 1.00 15.00 C ATOM 47 C LEU A 173 8.533 4.505 3.683 1.00 15.00 C ATOM 48 O LEU A 173 8.768 5.687 3.939 1.00 15.00 O ATOM 49 CB LEU A 173 6.987 3.964 5.582 1.00 15.00 C ATOM 50 CG LEU A 173 6.548 3.054 6.735 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.465 3.731 7.564 1.00 15.00 C ATOM 52 CD2 LEU A 173 6.053 1.718 6.201 1.00 15.00 C ATOM 0 HA LEU A 173 8.076 2.528 4.410 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.158 4.964 5.980 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.164 4.040 4.872 1.00 15.00 H new ATOM 0 HG LEU A 173 7.410 2.870 7.377 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.165 3.072 8.378 1.00 15.00 H new ATOM 0 HD12 LEU A 173 5.851 4.663 7.976 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.603 3.943 6.932 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.746 1.085 7.033 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.204 1.883 5.538 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.855 1.227 5.649 1.00 15.00 H new ATOM 64 N PRO A 174 8.547 4.034 2.424 1.00 15.00 N ATOM 65 CA PRO A 174 8.798 4.895 1.255 1.00 15.00 C ATOM 66 C PRO A 174 7.851 6.094 1.199 1.00 15.00 C ATOM 67 O PRO A 174 6.696 6.007 1.622 1.00 15.00 O ATOM 68 CB PRO A 174 8.547 3.965 0.066 1.00 15.00 C ATOM 69 CG PRO A 174 8.763 2.594 0.597 1.00 15.00 C ATOM 70 CD PRO A 174 8.329 2.630 2.034 1.00 15.00 C ATOM 0 HA PRO A 174 9.800 5.324 1.276 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.535 4.083 -0.321 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.230 4.182 -0.756 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.184 1.862 0.033 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.811 2.304 0.514 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.284 2.340 2.145 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.916 1.947 2.648 1.00 15.00 H new ATOM 78 N ALA A 175 8.335 7.197 0.649 1.00 15.00 N ATOM 79 CA ALA A 175 7.561 8.431 0.598 1.00 15.00 C ATOM 80 C ALA A 175 6.731 8.502 -0.678 1.00 15.00 C ATOM 81 O ALA A 175 7.212 8.172 -1.763 1.00 15.00 O ATOM 82 CB ALA A 175 8.483 9.636 0.699 1.00 15.00 C ATOM 0 H ALA A 175 9.263 7.264 0.230 1.00 15.00 H new ATOM 0 HA ALA A 175 6.877 8.440 1.447 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.892 10.551 0.660 1.00 15.00 H new ATOM 0 HB2 ALA A 175 9.030 9.598 1.641 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.189 9.624 -0.131 1.00 15.00 H new ATOM 88 N GLY A 176 5.487 8.943 -0.535 1.00 15.00 N ATOM 89 CA GLY A 176 4.564 8.966 -1.653 1.00 15.00 C ATOM 90 C GLY A 176 3.792 7.669 -1.745 1.00 15.00 C ATOM 91 O GLY A 176 3.136 7.380 -2.751 1.00 15.00 O ATOM 0 H GLY A 176 5.099 9.288 0.343 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.870 9.799 -1.539 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.113 9.133 -2.579 1.00 15.00 H new ATOM 95 N TRP A 177 3.853 6.903 -0.665 1.00 15.00 N ATOM 96 CA TRP A 177 3.186 5.617 -0.583 1.00 15.00 C ATOM 97 C TRP A 177 2.202 5.609 0.580 1.00 15.00 C ATOM 98 O TRP A 177 2.430 6.259 1.605 1.00 15.00 O ATOM 99 CB TRP A 177 4.203 4.485 -0.395 1.00 15.00 C ATOM 100 CG TRP A 177 5.108 4.256 -1.571 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.164 5.026 -1.953 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.054 3.169 -2.503 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.764 4.497 -3.067 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.101 3.355 -3.425 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.220 2.060 -2.651 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.336 2.472 -4.475 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.454 1.185 -3.691 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.505 1.394 -4.592 1.00 15.00 C ATOM 0 H TRP A 177 4.367 7.158 0.178 1.00 15.00 H new ATOM 0 HA TRP A 177 2.649 5.456 -1.518 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.815 4.705 0.480 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.664 3.562 -0.183 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.484 5.926 -1.450 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.572 4.890 -3.549 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.405 1.890 -1.963 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.145 2.633 -5.172 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 3.815 0.323 -3.813 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.662 0.689 -5.395 1.00 15.00 H new ATOM 119 N GLU A 178 1.117 4.871 0.415 1.00 15.00 N ATOM 120 CA GLU A 178 0.152 4.672 1.481 1.00 15.00 C ATOM 121 C GLU A 178 0.509 3.403 2.234 1.00 15.00 C ATOM 122 O GLU A 178 0.450 2.309 1.672 1.00 15.00 O ATOM 123 CB GLU A 178 -1.263 4.550 0.916 1.00 15.00 C ATOM 124 CG GLU A 178 -2.346 4.548 1.979 1.00 15.00 C ATOM 125 CD GLU A 178 -2.461 5.878 2.686 1.00 15.00 C ATOM 126 OE1 GLU A 178 -3.200 6.752 2.184 1.00 15.00 O1- ATOM 127 OE2 GLU A 178 -1.811 6.061 3.736 1.00 15.00 O ATOM 0 H GLU A 178 0.882 4.396 -0.456 1.00 15.00 H new ATOM 0 HA GLU A 178 0.180 5.531 2.152 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.443 5.376 0.228 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.335 3.631 0.335 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.303 4.300 1.519 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.132 3.768 2.710 1.00 15.00 H new ATOM 134 N MET A 179 0.892 3.544 3.488 1.00 15.00 N ATOM 135 CA MET A 179 1.365 2.407 4.256 1.00 15.00 C ATOM 136 C MET A 179 0.272 1.916 5.190 1.00 15.00 C ATOM 137 O MET A 179 -0.083 2.608 6.146 1.00 15.00 O ATOM 138 CB MET A 179 2.605 2.789 5.079 1.00 15.00 C ATOM 139 CG MET A 179 3.439 3.910 4.470 1.00 15.00 C ATOM 140 SD MET A 179 3.978 3.571 2.783 1.00 15.00 S ATOM 141 CE MET A 179 5.043 2.161 3.025 1.00 15.00 C ATOM 0 H MET A 179 0.886 4.429 3.995 1.00 15.00 H new ATOM 0 HA MET A 179 1.632 1.612 3.560 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.286 3.090 6.077 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.234 1.907 5.198 1.00 15.00 H new ATOM 0 HG2 MET A 179 2.856 4.831 4.479 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.315 4.081 5.095 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.321 1.744 2.057 1.00 15.00 H new ATOM 0 HE2 MET A 179 5.942 2.471 3.558 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.518 1.405 3.609 1.00 15.00 H new ATOM 151 N ALA A 180 -0.292 0.746 4.902 1.00 15.00 N ATOM 152 CA ALA A 180 -1.283 0.165 5.794 1.00 15.00 C ATOM 153 C ALA A 180 -1.239 -1.353 5.734 1.00 15.00 C ATOM 154 O ALA A 180 -1.283 -1.949 4.658 1.00 15.00 O ATOM 155 CB ALA A 180 -2.677 0.680 5.465 1.00 15.00 C ATOM 0 H ALA A 180 -0.083 0.192 4.072 1.00 15.00 H new ATOM 0 HA ALA A 180 -1.042 0.471 6.812 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.401 0.231 6.145 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.700 1.764 5.575 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.930 0.414 4.439 1.00 15.00 H new ATOM 161 N LYS A 181 -1.142 -1.972 6.897 1.00 15.00 N ATOM 162 CA LYS A 181 -1.024 -3.417 6.992 1.00 15.00 C ATOM 163 C LYS A 181 -2.169 -3.968 7.823 1.00 15.00 C ATOM 164 O LYS A 181 -2.402 -3.509 8.942 1.00 15.00 O ATOM 165 CB LYS A 181 0.305 -3.793 7.651 1.00 15.00 C ATOM 166 CG LYS A 181 1.498 -3.015 7.121 1.00 15.00 C ATOM 167 CD LYS A 181 2.718 -3.225 7.997 1.00 15.00 C ATOM 168 CE LYS A 181 3.823 -2.239 7.664 1.00 15.00 C ATOM 169 NZ LYS A 181 4.896 -2.258 8.689 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.143 -1.492 7.797 1.00 15.00 H new ATOM 0 HA LYS A 181 -1.060 -3.841 5.989 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.225 -3.629 8.726 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.484 -4.858 7.503 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.719 -3.332 6.102 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.255 -1.953 7.079 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.437 -3.117 9.045 1.00 15.00 H new ATOM 0 HD3 LYS A 181 3.087 -4.243 7.869 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.246 -2.480 6.689 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.406 -1.235 7.591 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 5.635 -1.573 8.431 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 4.496 -2.004 9.615 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.310 -3.211 8.741 1.00 15.00 H new ATOM 183 N THR A 182 -2.878 -4.947 7.291 1.00 15.00 N ATOM 184 CA THR A 182 -3.939 -5.587 8.043 1.00 15.00 C ATOM 185 C THR A 182 -3.364 -6.769 8.816 1.00 15.00 C ATOM 186 O THR A 182 -2.443 -7.443 8.338 1.00 15.00 O ATOM 187 CB THR A 182 -5.085 -6.082 7.128 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.660 -7.225 6.378 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.534 -4.992 6.161 1.00 15.00 C ATOM 0 H THR A 182 -2.739 -5.313 6.349 1.00 15.00 H new ATOM 0 HA THR A 182 -4.356 -4.847 8.726 1.00 15.00 H new ATOM 0 HB THR A 182 -5.925 -6.349 7.769 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.430 -7.617 5.915 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.340 -5.372 5.533 1.00 15.00 H new ATOM 0 HG22 THR A 182 -5.889 -4.129 6.725 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.694 -4.694 5.533 1.00 15.00 H new ATOM 197 N SER A 183 -3.903 -7.022 10.003 1.00 15.00 N ATOM 198 CA SER A 183 -3.440 -8.120 10.843 1.00 15.00 C ATOM 199 C SER A 183 -3.753 -9.460 10.180 1.00 15.00 C ATOM 200 O SER A 183 -3.233 -10.502 10.568 1.00 15.00 O ATOM 201 CB SER A 183 -4.082 -8.040 12.226 1.00 15.00 C ATOM 202 OG SER A 183 -3.840 -6.775 12.826 1.00 15.00 O ATOM 0 H SER A 183 -4.665 -6.478 10.407 1.00 15.00 H new ATOM 0 HA SER A 183 -2.360 -8.038 10.963 1.00 15.00 H new ATOM 0 HB2 SER A 183 -5.156 -8.208 12.143 1.00 15.00 H new ATOM 0 HB3 SER A 183 -3.684 -8.831 12.862 1.00 15.00 H new ATOM 0 HG SER A 183 -4.262 -6.746 13.710 1.00 15.00 H new ATOM 208 N SER A 184 -4.623 -9.405 9.181 1.00 15.00 N ATOM 209 CA SER A 184 -4.969 -10.560 8.365 1.00 15.00 C ATOM 210 C SER A 184 -3.758 -11.042 7.564 1.00 15.00 C ATOM 211 O SER A 184 -3.755 -12.144 7.013 1.00 15.00 O ATOM 212 CB SER A 184 -6.114 -10.182 7.430 1.00 15.00 C ATOM 213 OG SER A 184 -7.079 -9.417 8.131 1.00 15.00 O ATOM 0 H SER A 184 -5.112 -8.551 8.912 1.00 15.00 H new ATOM 0 HA SER A 184 -5.283 -11.378 9.014 1.00 15.00 H new ATOM 0 HB2 SER A 184 -5.730 -9.612 6.584 1.00 15.00 H new ATOM 0 HB3 SER A 184 -6.576 -11.082 7.025 1.00 15.00 H new ATOM 0 HG SER A 184 -7.810 -9.177 7.524 1.00 15.00 H new ATOM 219 N GLY A 185 -2.735 -10.198 7.504 1.00 15.00 N ATOM 220 CA GLY A 185 -1.575 -10.485 6.692 1.00 15.00 C ATOM 221 C GLY A 185 -1.727 -9.936 5.295 1.00 15.00 C ATOM 222 O GLY A 185 -1.332 -10.565 4.316 1.00 15.00 O ATOM 0 H GLY A 185 -2.692 -9.313 8.009 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -0.688 -10.055 7.158 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -1.420 -11.563 6.645 1.00 15.00 H new ATOM 226 N GLN A 186 -2.316 -8.753 5.207 1.00 15.00 N ATOM 227 CA GLN A 186 -2.386 -8.030 3.950 1.00 15.00 C ATOM 228 C GLN A 186 -1.584 -6.747 4.070 1.00 15.00 C ATOM 229 O GLN A 186 -2.031 -5.777 4.684 1.00 15.00 O ATOM 230 CB GLN A 186 -3.830 -7.704 3.563 1.00 15.00 C ATOM 231 CG GLN A 186 -4.678 -8.921 3.225 1.00 15.00 C ATOM 232 CD GLN A 186 -6.142 -8.568 3.041 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.477 -7.456 2.630 1.00 15.00 O ATOM 234 NE2 GLN A 186 -7.025 -9.507 3.342 1.00 15.00 N ATOM 0 H GLN A 186 -2.753 -8.274 5.994 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.971 -8.664 3.167 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.301 -7.165 4.385 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.821 -7.032 2.705 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -4.300 -9.383 2.313 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.582 -9.661 4.020 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -6.708 -10.416 3.680 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -8.022 -9.322 3.236 1.00 15.00 H new ATOM 243 N ARG A 187 -0.378 -6.766 3.536 1.00 15.00 N ATOM 244 CA ARG A 187 0.479 -5.596 3.571 1.00 15.00 C ATOM 245 C ARG A 187 0.451 -4.896 2.218 1.00 15.00 C ATOM 246 O ARG A 187 1.162 -5.279 1.295 1.00 15.00 O ATOM 247 CB ARG A 187 1.914 -5.978 3.974 1.00 15.00 C ATOM 248 CG ARG A 187 2.506 -7.126 3.164 1.00 15.00 C ATOM 249 CD ARG A 187 3.779 -7.670 3.798 1.00 15.00 C ATOM 250 NE ARG A 187 4.867 -6.691 3.817 1.00 15.00 N ATOM 251 CZ ARG A 187 5.744 -6.582 4.817 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.576 -7.295 5.928 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.770 -5.738 4.721 1.00 15.00 N ATOM 0 H ARG A 187 0.031 -7.578 3.073 1.00 15.00 H new ATOM 0 HA ARG A 187 0.104 -4.905 4.326 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.555 -5.103 3.865 1.00 15.00 H new ATOM 0 HB3 ARG A 187 1.923 -6.250 5.029 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.772 -7.927 3.079 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.722 -6.783 2.152 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.564 -7.987 4.818 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.103 -8.555 3.250 1.00 15.00 H new ATOM 0 HE ARG A 187 4.960 -6.058 3.023 1.00 15.00 H new ATOM 0 HH11 ARG A 187 4.778 -7.924 6.015 1.00 15.00 H new ATOM 0 HH12 ARG A 187 6.246 -7.213 6.693 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.888 -5.172 3.881 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.438 -5.658 5.488 1.00 15.00 H new ATOM 267 N TYR A 188 -0.416 -3.903 2.082 1.00 15.00 N ATOM 268 CA TYR A 188 -0.554 -3.202 0.822 1.00 15.00 C ATOM 269 C TYR A 188 0.068 -1.814 0.921 1.00 15.00 C ATOM 270 O TYR A 188 -0.009 -1.135 1.964 1.00 15.00 O ATOM 271 CB TYR A 188 -2.033 -3.127 0.388 1.00 15.00 C ATOM 272 CG TYR A 188 -2.935 -2.407 1.365 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.889 -1.028 1.495 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.825 -3.111 2.163 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.687 -0.370 2.400 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.638 -2.456 3.072 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.560 -1.091 3.192 1.00 15.00 C ATOM 278 OH TYR A 188 -5.362 -0.445 4.108 1.00 15.00 O ATOM 0 H TYR A 188 -1.029 -3.569 2.826 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.019 -3.761 0.054 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.090 -2.626 -0.578 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.409 -4.140 0.244 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.213 -0.460 0.873 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -3.884 -4.186 2.074 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.632 0.705 2.492 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.330 -3.016 3.683 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.915 -1.102 4.579 1.00 15.00 H new ATOM 288 N PHE A 189 0.693 -1.409 -0.164 1.00 15.00 N ATOM 289 CA PHE A 189 1.294 -0.100 -0.258 1.00 15.00 C ATOM 290 C PHE A 189 0.744 0.607 -1.492 1.00 15.00 C ATOM 291 O PHE A 189 0.837 0.089 -2.606 1.00 15.00 O ATOM 292 CB PHE A 189 2.822 -0.218 -0.340 1.00 15.00 C ATOM 293 CG PHE A 189 3.428 -1.117 0.709 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.792 -0.613 1.946 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.636 -2.462 0.455 1.00 15.00 C ATOM 296 CE1 PHE A 189 4.350 -1.431 2.910 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.193 -3.286 1.415 1.00 15.00 C ATOM 298 CZ PHE A 189 4.550 -2.769 2.645 1.00 15.00 C ATOM 0 H PHE A 189 0.798 -1.979 -1.004 1.00 15.00 H new ATOM 0 HA PHE A 189 1.050 0.480 0.632 1.00 15.00 H new ATOM 0 HB2 PHE A 189 3.094 -0.594 -1.326 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.258 0.777 -0.246 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.638 0.434 2.161 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.360 -2.872 -0.505 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.629 -1.022 3.870 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.349 -4.334 1.203 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.985 -3.411 3.397 1.00 15.00 H new ATOM 308 N LEU A 190 0.149 1.770 -1.298 1.00 15.00 N ATOM 309 CA LEU A 190 -0.409 2.529 -2.413 1.00 15.00 C ATOM 310 C LEU A 190 0.629 3.466 -2.996 1.00 15.00 C ATOM 311 O LEU A 190 1.365 4.102 -2.255 1.00 15.00 O ATOM 312 CB LEU A 190 -1.564 3.419 -1.961 1.00 15.00 C ATOM 313 CG LEU A 190 -2.976 2.850 -1.991 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.925 3.950 -2.435 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.084 1.636 -2.902 1.00 15.00 C ATOM 0 H LEU A 190 0.038 2.212 -0.385 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.745 1.792 -3.143 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.357 3.737 -0.939 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.555 4.315 -2.582 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.242 2.506 -0.991 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.943 3.562 -2.463 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.872 4.781 -1.732 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.641 4.296 -3.429 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.108 1.264 -2.892 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.810 1.918 -3.919 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.411 0.855 -2.549 1.00 15.00 H new ATOM 327 N ASN A 191 0.662 3.609 -4.304 1.00 15.00 N ATOM 328 CA ASN A 191 1.399 4.710 -4.882 1.00 15.00 C ATOM 329 C ASN A 191 0.452 5.887 -5.006 1.00 15.00 C ATOM 330 O ASN A 191 -0.347 5.939 -5.944 1.00 15.00 O ATOM 331 CB ASN A 191 1.980 4.384 -6.266 1.00 15.00 C ATOM 332 CG ASN A 191 2.859 3.149 -6.292 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.552 2.136 -5.669 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.967 3.230 -7.017 1.00 15.00 N ATOM 0 H ASN A 191 0.199 2.993 -4.972 1.00 15.00 H new ATOM 0 HA ASN A 191 2.244 4.931 -4.230 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.159 4.248 -6.970 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.561 5.238 -6.615 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.600 2.432 -7.072 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.186 4.090 -7.520 1.00 15.00 H new ATOM 341 N HIS A 192 0.500 6.806 -4.035 1.00 15.00 N ATOM 342 CA HIS A 192 -0.369 7.987 -4.061 1.00 15.00 C ATOM 343 C HIS A 192 0.055 8.918 -5.189 1.00 15.00 C ATOM 344 O HIS A 192 -0.630 9.885 -5.503 1.00 15.00 O ATOM 345 CB HIS A 192 -0.354 8.746 -2.723 1.00 15.00 C ATOM 346 CG HIS A 192 -1.508 8.419 -1.810 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.725 9.076 -1.849 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.617 7.509 -0.815 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.522 8.581 -0.921 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.877 7.632 -0.275 1.00 15.00 N ATOM 0 H HIS A 192 1.124 6.756 -3.230 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.388 7.640 -4.231 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.579 8.525 -2.204 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.359 9.817 -2.926 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.854 6.812 -0.501 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.535 8.901 -0.724 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -3.249 7.080 0.497 1.00 15.00 H new ATOM 359 N ILE A 193 1.200 8.615 -5.787 1.00 15.00 N ATOM 360 CA ILE A 193 1.708 9.380 -6.913 1.00 15.00 C ATOM 361 C ILE A 193 1.328 8.715 -8.236 1.00 15.00 C ATOM 362 O ILE A 193 0.748 9.346 -9.116 1.00 15.00 O ATOM 363 CB ILE A 193 3.244 9.521 -6.836 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.653 10.159 -5.504 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.767 10.341 -8.010 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.152 10.243 -5.307 1.00 15.00 C ATOM 0 H ILE A 193 1.797 7.837 -5.506 1.00 15.00 H new ATOM 0 HA ILE A 193 1.257 10.371 -6.867 1.00 15.00 H new ATOM 0 HB ILE A 193 3.687 8.527 -6.893 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.231 11.162 -5.446 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.219 9.583 -4.687 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.851 10.429 -7.938 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.504 9.846 -8.945 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.320 11.335 -7.988 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.367 10.705 -4.344 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.579 9.240 -5.332 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.591 10.844 -6.104 1.00 15.00 H new ATOM 378 N ASP A 194 1.632 7.430 -8.355 1.00 15.00 N ATOM 379 CA ASP A 194 1.455 6.712 -9.615 1.00 15.00 C ATOM 380 C ASP A 194 0.024 6.230 -9.805 1.00 15.00 C ATOM 381 O ASP A 194 -0.354 5.834 -10.908 1.00 15.00 O ATOM 382 CB ASP A 194 2.395 5.508 -9.691 1.00 15.00 C ATOM 383 CG ASP A 194 3.851 5.893 -9.556 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.455 6.342 -10.556 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.396 5.755 -8.442 1.00 15.00 O1- ATOM 0 H ASP A 194 2.003 6.860 -7.595 1.00 15.00 H new ATOM 0 HA ASP A 194 1.691 7.420 -10.410 1.00 15.00 H new ATOM 0 HB2 ASP A 194 2.136 4.800 -8.903 1.00 15.00 H new ATOM 0 HB3 ASP A 194 2.246 4.996 -10.641 1.00 15.00 H new ATOM 390 N GLN A 195 -0.758 6.238 -8.725 1.00 15.00 N ATOM 391 CA GLN A 195 -2.120 5.711 -8.755 1.00 15.00 C ATOM 392 C GLN A 195 -2.077 4.208 -9.003 1.00 15.00 C ATOM 393 O GLN A 195 -2.470 3.713 -10.061 1.00 15.00 O ATOM 394 CB GLN A 195 -2.963 6.441 -9.820 1.00 15.00 C ATOM 395 CG GLN A 195 -4.362 5.875 -10.033 1.00 15.00 C ATOM 396 CD GLN A 195 -5.118 6.602 -11.126 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.516 7.153 -12.052 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.437 6.598 -11.042 1.00 15.00 N ATOM 0 H GLN A 195 -0.470 6.605 -7.818 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.599 5.887 -7.792 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -3.051 7.490 -9.536 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.427 6.412 -10.769 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.289 4.818 -10.287 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.923 5.941 -9.101 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.897 6.131 -10.260 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.995 7.062 -11.759 1.00 15.00 H new ATOM 407 N THR A 196 -1.536 3.490 -8.035 1.00 15.00 N ATOM 408 CA THR A 196 -1.439 2.042 -8.133 1.00 15.00 C ATOM 409 C THR A 196 -1.552 1.381 -6.764 1.00 15.00 C ATOM 410 O THR A 196 -1.181 1.969 -5.744 1.00 15.00 O ATOM 411 CB THR A 196 -0.112 1.612 -8.797 1.00 15.00 C ATOM 412 OG1 THR A 196 0.880 2.627 -8.601 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.294 1.353 -10.285 1.00 15.00 C ATOM 0 H THR A 196 -1.158 3.883 -7.173 1.00 15.00 H new ATOM 0 HA THR A 196 -2.272 1.713 -8.754 1.00 15.00 H new ATOM 0 HB THR A 196 0.214 0.683 -8.329 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.720 2.349 -9.022 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.659 1.052 -10.721 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.026 0.558 -10.429 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.645 2.262 -10.772 1.00 15.00 H new ATOM 421 N THR A 197 -2.087 0.170 -6.751 1.00 15.00 N ATOM 422 CA THR A 197 -2.218 -0.600 -5.530 1.00 15.00 C ATOM 423 C THR A 197 -1.213 -1.749 -5.521 1.00 15.00 C ATOM 424 O THR A 197 -1.347 -2.714 -6.275 1.00 15.00 O ATOM 425 CB THR A 197 -3.647 -1.150 -5.385 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.596 -0.105 -5.652 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.874 -1.683 -3.979 1.00 15.00 C ATOM 0 H THR A 197 -2.440 -0.302 -7.583 1.00 15.00 H new ATOM 0 HA THR A 197 -2.013 0.058 -4.686 1.00 15.00 H new ATOM 0 HB THR A 197 -3.779 -1.963 -6.099 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.506 -0.458 -5.561 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.890 -2.068 -3.895 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.164 -2.485 -3.775 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.730 -0.879 -3.257 1.00 15.00 H new ATOM 435 N THR A 198 -0.210 -1.636 -4.669 1.00 15.00 N ATOM 436 CA THR A 198 0.899 -2.572 -4.654 1.00 15.00 C ATOM 437 C THR A 198 0.779 -3.583 -3.499 1.00 15.00 C ATOM 438 O THR A 198 0.834 -3.201 -2.328 1.00 15.00 O ATOM 439 CB THR A 198 2.219 -1.782 -4.545 1.00 15.00 C ATOM 440 OG1 THR A 198 2.304 -0.844 -5.627 1.00 15.00 O ATOM 441 CG2 THR A 198 3.429 -2.696 -4.578 1.00 15.00 C ATOM 0 H THR A 198 -0.141 -0.896 -3.971 1.00 15.00 H new ATOM 0 HA THR A 198 0.883 -3.145 -5.581 1.00 15.00 H new ATOM 0 HB THR A 198 2.218 -1.261 -3.588 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.391 0.063 -5.267 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.338 -2.099 -4.499 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.380 -3.395 -3.743 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.440 -3.251 -5.516 1.00 15.00 H new ATOM 449 N TRP A 199 0.585 -4.867 -3.830 1.00 15.00 N ATOM 450 CA TRP A 199 0.572 -5.929 -2.819 1.00 15.00 C ATOM 451 C TRP A 199 1.981 -6.224 -2.309 1.00 15.00 C ATOM 452 O TRP A 199 2.180 -6.510 -1.131 1.00 15.00 O ATOM 453 CB TRP A 199 0.017 -7.239 -3.386 1.00 15.00 C ATOM 454 CG TRP A 199 -1.471 -7.426 -3.343 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.241 -7.883 -4.370 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.369 -7.212 -2.243 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.543 -7.983 -3.992 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.647 -7.596 -2.690 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.238 -6.747 -0.926 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.758 -7.548 -1.882 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.379 -6.676 -0.137 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.620 -7.097 -0.636 1.00 15.00 C ATOM 0 H TRP A 199 0.436 -5.193 -4.785 1.00 15.00 H new ATOM 0 HA TRP A 199 -0.063 -5.567 -2.010 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.338 -7.321 -4.424 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.478 -8.065 -2.843 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.867 -8.132 -5.352 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.313 -8.295 -4.584 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.275 -6.452 -0.536 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.722 -7.869 -2.249 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.310 -6.293 0.870 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.487 -7.055 0.007 1.00 15.00 H new ATOM 473 N GLN A 200 2.948 -6.201 -3.218 1.00 15.00 N ATOM 474 CA GLN A 200 4.296 -6.658 -2.905 1.00 15.00 C ATOM 475 C GLN A 200 5.155 -5.515 -2.382 1.00 15.00 C ATOM 476 O GLN A 200 5.239 -4.458 -3.004 1.00 15.00 O ATOM 477 CB GLN A 200 4.942 -7.280 -4.145 1.00 15.00 C ATOM 478 CG GLN A 200 6.291 -7.934 -3.877 1.00 15.00 C ATOM 479 CD GLN A 200 6.191 -9.185 -3.018 1.00 15.00 C ATOM 480 OE1 GLN A 200 5.307 -9.312 -2.170 1.00 15.00 O ATOM 481 NE2 GLN A 200 7.100 -10.119 -3.234 1.00 15.00 N ATOM 0 H GLN A 200 2.824 -5.872 -4.175 1.00 15.00 H new ATOM 0 HA GLN A 200 4.225 -7.413 -2.122 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.264 -8.026 -4.560 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.068 -6.507 -4.903 1.00 15.00 H new ATOM 0 HG2 GLN A 200 6.758 -8.191 -4.828 1.00 15.00 H new ATOM 0 HG3 GLN A 200 6.945 -7.214 -3.384 1.00 15.00 H new ATOM 0 HE21 GLN A 200 7.817 -9.978 -3.945 1.00 15.00 H new ATOM 0 HE22 GLN A 200 7.085 -10.981 -2.689 1.00 15.00 H new ATOM 490 N ASP A 201 5.811 -5.757 -1.256 1.00 15.00 N ATOM 491 CA ASP A 201 6.632 -4.744 -0.591 1.00 15.00 C ATOM 492 C ASP A 201 7.672 -4.140 -1.543 1.00 15.00 C ATOM 493 O ASP A 201 8.585 -4.831 -2.003 1.00 15.00 O ATOM 494 CB ASP A 201 7.337 -5.368 0.616 1.00 15.00 C ATOM 495 CG ASP A 201 7.981 -4.334 1.513 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.907 -3.639 1.058 1.00 15.00 O1- ATOM 497 OD2 ASP A 201 7.553 -4.216 2.682 1.00 15.00 O ATOM 0 H ASP A 201 5.792 -6.657 -0.776 1.00 15.00 H new ATOM 0 HA ASP A 201 5.973 -3.939 -0.264 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.616 -5.946 1.194 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.099 -6.065 0.267 1.00 15.00 H new ATOM 502 N PRO A 202 7.532 -2.833 -1.858 1.00 15.00 N ATOM 503 CA PRO A 202 8.441 -2.127 -2.771 1.00 15.00 C ATOM 504 C PRO A 202 9.885 -2.055 -2.270 1.00 15.00 C ATOM 505 O PRO A 202 10.799 -1.729 -3.029 1.00 15.00 O ATOM 506 CB PRO A 202 7.853 -0.713 -2.870 1.00 15.00 C ATOM 507 CG PRO A 202 6.913 -0.577 -1.718 1.00 15.00 C ATOM 508 CD PRO A 202 6.450 -1.963 -1.373 1.00 15.00 C ATOM 0 HA PRO A 202 8.504 -2.653 -3.724 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.639 0.041 -2.823 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.332 -0.572 -3.817 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.409 -0.112 -0.866 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.068 0.059 -1.981 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.298 -2.077 -0.300 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.502 -2.199 -1.856 1.00 15.00 H new ATOM 609 N PRO B 207 -9.218 -8.888 -3.158 1.00 15.00 N ATOM 610 CA PRO B 207 -9.099 -7.544 -3.753 1.00 15.00 C ATOM 611 C PRO B 207 -8.789 -6.488 -2.696 1.00 15.00 C ATOM 612 O PRO B 207 -9.424 -6.461 -1.640 1.00 15.00 O ATOM 613 CB PRO B 207 -10.481 -7.311 -4.361 1.00 15.00 C ATOM 614 CG PRO B 207 -10.990 -8.680 -4.670 1.00 15.00 C ATOM 615 CD PRO B 207 -10.441 -9.584 -3.600 1.00 15.00 C ATOM 0 HA PRO B 207 -8.287 -7.475 -4.477 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -11.139 -6.791 -3.664 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.421 -6.698 -5.260 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -12.080 -8.698 -4.674 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.663 -9.003 -5.658 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -11.148 -9.712 -2.781 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.219 -10.578 -3.989 1.00 15.00 H new ATOM 623 N PRO B 208 -7.826 -5.589 -2.966 1.00 15.00 N ATOM 624 CA PRO B 208 -7.236 -4.696 -1.986 1.00 15.00 C ATOM 625 C PRO B 208 -7.982 -3.357 -1.970 1.00 15.00 C ATOM 626 O PRO B 208 -8.944 -3.166 -2.723 1.00 15.00 O ATOM 627 CB PRO B 208 -5.778 -4.542 -2.538 1.00 15.00 C ATOM 628 CG PRO B 208 -5.803 -5.266 -3.861 1.00 15.00 C ATOM 629 CD PRO B 208 -7.237 -5.236 -4.242 1.00 15.00 C ATOM 0 HA PRO B 208 -7.274 -5.056 -0.958 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.509 -3.493 -2.663 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -5.047 -4.980 -1.858 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.179 -4.768 -4.603 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.433 -6.287 -3.767 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.557 -4.256 -4.595 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.478 -5.952 -5.028 1.00 15.00 H new ATOM 637 N PRO B 209 -7.553 -2.424 -1.115 1.00 15.00 N ATOM 638 CA PRO B 209 -8.143 -1.085 -1.014 1.00 15.00 C ATOM 639 C PRO B 209 -8.324 -0.375 -2.349 1.00 15.00 C ATOM 640 O PRO B 209 -7.490 -0.492 -3.250 1.00 15.00 O ATOM 641 CB PRO B 209 -7.094 -0.299 -0.250 1.00 15.00 C ATOM 642 CG PRO B 209 -6.274 -1.284 0.491 1.00 15.00 C ATOM 643 CD PRO B 209 -6.500 -2.636 -0.118 1.00 15.00 C ATOM 0 HA PRO B 209 -9.134 -1.158 -0.565 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.475 0.283 -0.932 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.563 0.406 0.436 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.219 -1.016 0.439 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.550 -1.291 1.546 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.590 -3.020 -0.579 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.807 -3.363 0.634 1.00 15.00 H new ATOM 651 N PRO B 210 -9.410 0.397 -2.469 1.00 15.00 N ATOM 652 CA PRO B 210 -9.577 1.350 -3.559 1.00 15.00 C ATOM 653 C PRO B 210 -8.530 2.459 -3.460 1.00 15.00 C ATOM 654 O PRO B 210 -8.224 2.941 -2.366 1.00 15.00 O ATOM 655 CB PRO B 210 -10.987 1.911 -3.343 1.00 15.00 C ATOM 656 CG PRO B 210 -11.293 1.656 -1.907 1.00 15.00 C ATOM 657 CD PRO B 210 -10.561 0.395 -1.548 1.00 15.00 C ATOM 0 HA PRO B 210 -9.453 0.898 -4.543 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.026 2.976 -3.571 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.710 1.419 -3.993 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -10.966 2.488 -1.284 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.366 1.543 -1.750 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.242 0.398 -0.506 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -11.186 -0.487 -1.688 1.00 15.00 H new ATOM 665 N TYR B 211 -8.003 2.870 -4.600 1.00 15.00 N ATOM 666 CA TYR B 211 -6.930 3.854 -4.646 1.00 15.00 C ATOM 667 C TYR B 211 -7.425 5.271 -4.323 1.00 15.00 C ATOM 668 O TYR B 211 -6.619 6.169 -4.086 1.00 15.00 O ATOM 669 CB TYR B 211 -6.215 3.838 -6.012 1.00 15.00 C ATOM 670 CG TYR B 211 -5.310 5.033 -6.203 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.058 5.073 -5.614 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.734 6.143 -6.924 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.252 6.183 -5.733 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.927 7.255 -7.055 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.689 7.272 -6.455 1.00 15.00 C ATOM 676 OH TYR B 211 -2.885 8.381 -6.578 1.00 15.00 O ATOM 0 H TYR B 211 -8.303 2.535 -5.516 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.216 3.570 -3.873 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.628 2.924 -6.101 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -6.959 3.818 -6.808 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.708 4.220 -5.052 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.709 6.135 -7.388 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.280 6.200 -5.262 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.266 8.107 -7.625 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.342 9.058 -7.119 1.00 15.00 H new ATOM 686 N SER B 212 -8.736 5.456 -4.242 1.00 15.00 N ATOM 687 CA SER B 212 -9.322 6.787 -4.382 1.00 15.00 C ATOM 688 C SER B 212 -8.785 7.761 -3.331 1.00 15.00 C ATOM 689 O SER B 212 -8.051 8.688 -3.681 1.00 15.00 O ATOM 690 CB SER B 212 -10.844 6.678 -4.276 1.00 15.00 C ATOM 691 OG SER B 212 -11.341 5.679 -5.155 1.00 15.00 O ATOM 0 H SER B 212 -9.411 4.709 -4.081 1.00 15.00 H new ATOM 0 HA SER B 212 -9.043 7.183 -5.358 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.125 6.439 -3.250 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.299 7.639 -4.516 1.00 15.00 H new ATOM 0 HG SER B 212 -12.316 5.624 -5.070 1.00 15.00 H new ATOM 697 N ARG B 213 -9.131 7.597 -2.065 1.00 15.00 N ATOM 698 CA ARG B 213 -8.474 8.399 -1.042 1.00 15.00 C ATOM 699 C ARG B 213 -7.751 7.546 -0.013 1.00 15.00 C ATOM 700 O ARG B 213 -6.522 7.506 0.017 1.00 15.00 O ATOM 701 CB ARG B 213 -9.468 9.345 -0.365 1.00 15.00 C ATOM 702 CG ARG B 213 -9.718 10.602 -1.176 1.00 15.00 C ATOM 703 CD ARG B 213 -8.422 11.370 -1.404 1.00 15.00 C ATOM 704 NE ARG B 213 -8.013 12.145 -0.236 1.00 15.00 N ATOM 705 CZ ARG B 213 -7.219 13.212 -0.305 1.00 15.00 C ATOM 706 NH1 ARG B 213 -6.807 13.657 -1.483 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -6.846 13.837 0.801 1.00 15.00 N ATOM 0 H ARG B 213 -9.836 6.942 -1.727 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.716 8.998 -1.548 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.412 8.823 -0.209 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.090 9.621 0.619 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.162 10.338 -2.136 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.435 11.238 -0.657 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -7.630 10.668 -1.665 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.547 12.040 -2.254 1.00 15.00 H new ATOM 0 HE ARG B 213 -8.353 11.854 0.681 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.098 13.182 -2.338 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -6.199 14.474 -1.535 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -7.167 13.502 1.709 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -6.238 14.654 0.745 1.00 15.00 H new ATOM 721 N TYR B 214 -8.513 6.857 0.819 1.00 15.00 N ATOM 722 CA TYR B 214 -7.939 6.049 1.883 1.00 15.00 C ATOM 723 C TYR B 214 -8.339 4.594 1.731 1.00 15.00 C ATOM 724 O TYR B 214 -9.494 4.286 1.441 1.00 15.00 O ATOM 725 CB TYR B 214 -8.350 6.605 3.251 1.00 15.00 C ATOM 726 CG TYR B 214 -7.547 7.828 3.664 1.00 15.00 C ATOM 727 CD1 TYR B 214 -7.303 8.859 2.766 1.00 15.00 C ATOM 728 CD2 TYR B 214 -7.024 7.944 4.945 1.00 15.00 C ATOM 729 CE1 TYR B 214 -6.564 9.965 3.121 1.00 15.00 C ATOM 730 CE2 TYR B 214 -6.283 9.053 5.314 1.00 15.00 C ATOM 731 CZ TYR B 214 -6.055 10.061 4.400 1.00 15.00 C ATOM 732 OH TYR B 214 -5.319 11.164 4.765 1.00 15.00 O ATOM 0 H TYR B 214 -9.532 6.840 0.779 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.852 6.097 1.812 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.409 6.864 3.228 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -8.228 5.827 4.004 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.703 8.791 1.765 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -7.198 7.157 5.664 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -6.384 10.752 2.404 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.884 9.129 6.315 1.00 15.00 H new ATOM 0 HH TYR B 214 -5.036 11.074 5.699 1.00 15.00 H new ATOM 742 N PRO B 215 -7.383 3.681 1.930 1.00 15.00 N ATOM 743 CA PRO B 215 -7.604 2.245 1.772 1.00 15.00 C ATOM 744 C PRO B 215 -8.659 1.682 2.709 1.00 15.00 C ATOM 745 O PRO B 215 -9.320 0.698 2.383 1.00 15.00 O ATOM 746 CB PRO B 215 -6.241 1.632 2.098 1.00 15.00 C ATOM 747 CG PRO B 215 -5.277 2.726 1.864 1.00 15.00 C ATOM 748 CD PRO B 215 -5.988 3.977 2.289 1.00 15.00 C ATOM 0 HA PRO B 215 -7.975 2.020 0.772 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.200 1.281 3.129 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.029 0.774 1.461 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.365 2.577 2.441 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.986 2.776 0.815 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.874 4.167 3.356 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.611 4.856 1.767 1.00 15.00 H new