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= 1.24 K(o=2.1,f=-4.5!) USER MOD Set 1.2: A 198 THR OG1 : rot 121:sc= 0.845 USER MOD Set 2.1: A 184 SER OG : rot -128:sc= 0.766 USER MOD Set 2.2: A 186 GLN : amide:sc= 1.18 K(o=1.9,f=0.37) USER MOD Single : A 179 MET CE :methyl 178:sc= -8.05! (180deg=-8.24!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot -59:sc= -1.24! USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 188 TYR OH : rot 180:sc= -2.04! USER MOD Single : A 192 HIS : no HD1:sc= -0.599 K(o=-0.6,f=-5.1!) USER MOD Single : A 195 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 196 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= -0.078 X(o=-0.078,f=-0.078) 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 9.144 2.738 5.177 1.00 15.00 N ATOM 46 CA LEU A 173 8.009 3.172 4.382 1.00 15.00 C ATOM 47 C LEU A 173 8.456 4.167 3.307 1.00 15.00 C ATOM 48 O LEU A 173 8.867 5.284 3.622 1.00 15.00 O ATOM 49 CB LEU A 173 6.949 3.811 5.286 1.00 15.00 C ATOM 50 CG LEU A 173 6.496 2.961 6.482 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.490 3.732 7.321 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.897 1.637 6.022 1.00 15.00 C ATOM 0 HA LEU A 173 7.576 2.302 3.889 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.341 4.756 5.663 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.075 4.047 4.679 1.00 15.00 H new ATOM 0 HG LEU A 173 7.372 2.739 7.092 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.176 3.120 8.166 1.00 15.00 H new ATOM 0 HD12 LEU A 173 5.950 4.649 7.689 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.622 3.981 6.711 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.586 1.057 6.891 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.033 1.830 5.386 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.643 1.076 5.460 1.00 15.00 H new ATOM 64 N PRO A 174 8.426 3.754 2.025 1.00 15.00 N ATOM 65 CA PRO A 174 8.761 4.631 0.895 1.00 15.00 C ATOM 66 C PRO A 174 7.835 5.846 0.810 1.00 15.00 C ATOM 67 O PRO A 174 6.660 5.777 1.172 1.00 15.00 O ATOM 68 CB PRO A 174 8.575 3.727 -0.333 1.00 15.00 C ATOM 69 CG PRO A 174 8.656 2.337 0.194 1.00 15.00 C ATOM 70 CD PRO A 174 8.085 2.396 1.579 1.00 15.00 C ATOM 0 HA PRO A 174 9.766 5.043 0.985 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.615 3.910 -0.816 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.348 3.912 -1.079 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.092 1.647 -0.433 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.687 1.983 0.210 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.008 2.231 1.578 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.523 1.637 2.228 1.00 15.00 H new ATOM 78 N ALA A 175 8.356 6.947 0.279 1.00 15.00 N ATOM 79 CA ALA A 175 7.600 8.187 0.205 1.00 15.00 C ATOM 80 C ALA A 175 6.815 8.263 -1.099 1.00 15.00 C ATOM 81 O ALA A 175 7.333 7.936 -2.167 1.00 15.00 O ATOM 82 CB ALA A 175 8.533 9.382 0.333 1.00 15.00 C ATOM 0 H ALA A 175 9.299 7.004 -0.106 1.00 15.00 H new ATOM 0 HA ALA A 175 6.891 8.207 1.032 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.954 10.304 0.276 1.00 15.00 H new ATOM 0 HB2 ALA A 175 9.051 9.338 1.291 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.263 9.362 -0.476 1.00 15.00 H new ATOM 88 N GLY A 176 5.572 8.713 -0.997 1.00 15.00 N ATOM 89 CA GLY A 176 4.675 8.722 -2.138 1.00 15.00 C ATOM 90 C GLY A 176 3.895 7.427 -2.227 1.00 15.00 C ATOM 91 O GLY A 176 3.253 7.134 -3.240 1.00 15.00 O ATOM 0 H GLY A 176 5.165 9.076 -0.135 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.985 9.561 -2.055 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.248 8.869 -3.054 1.00 15.00 H new ATOM 95 N TRP A 177 3.922 6.681 -1.134 1.00 15.00 N ATOM 96 CA TRP A 177 3.237 5.407 -1.038 1.00 15.00 C ATOM 97 C TRP A 177 2.274 5.430 0.143 1.00 15.00 C ATOM 98 O TRP A 177 2.530 6.084 1.153 1.00 15.00 O ATOM 99 CB TRP A 177 4.250 4.269 -0.850 1.00 15.00 C ATOM 100 CG TRP A 177 5.102 3.985 -2.054 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.131 4.740 -2.535 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.014 2.841 -2.909 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.670 4.147 -3.649 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.003 2.979 -3.897 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.189 1.718 -2.940 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.189 2.034 -4.902 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.376 0.779 -3.933 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.369 0.944 -4.902 1.00 15.00 C ATOM 0 H TRP A 177 4.423 6.946 -0.286 1.00 15.00 H new ATOM 0 HA TRP A 177 2.682 5.238 -1.960 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.901 4.514 -0.011 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.711 3.361 -0.581 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.472 5.669 -2.102 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.443 4.517 -4.202 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.415 1.585 -2.198 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 6.954 2.159 -5.654 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 3.745 -0.097 -3.962 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.490 0.192 -5.668 1.00 15.00 H new ATOM 119 N GLU A 178 1.169 4.715 0.005 1.00 15.00 N ATOM 120 CA GLU A 178 0.210 4.569 1.087 1.00 15.00 C ATOM 121 C GLU A 178 0.561 3.325 1.885 1.00 15.00 C ATOM 122 O GLU A 178 0.524 2.215 1.354 1.00 15.00 O ATOM 123 CB GLU A 178 -1.207 4.453 0.530 1.00 15.00 C ATOM 124 CG GLU A 178 -2.285 4.458 1.593 1.00 15.00 C ATOM 125 CD GLU A 178 -2.332 5.759 2.358 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.713 6.786 1.760 1.00 15.00 O ATOM 127 OE2 GLU A 178 -1.984 5.757 3.557 1.00 15.00 O1- ATOM 0 H GLU A 178 0.913 4.224 -0.852 1.00 15.00 H new ATOM 0 HA GLU A 178 0.251 5.447 1.732 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.385 5.279 -0.158 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.285 3.533 -0.049 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.253 4.279 1.126 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.110 3.637 2.288 1.00 15.00 H new ATOM 134 N MET A 179 0.909 3.508 3.145 1.00 15.00 N ATOM 135 CA MET A 179 1.433 2.414 3.944 1.00 15.00 C ATOM 136 C MET A 179 0.390 1.927 4.934 1.00 15.00 C ATOM 137 O MET A 179 0.086 2.615 5.910 1.00 15.00 O ATOM 138 CB MET A 179 2.693 2.859 4.695 1.00 15.00 C ATOM 139 CG MET A 179 3.595 3.789 3.893 1.00 15.00 C ATOM 140 SD MET A 179 4.080 3.110 2.294 1.00 15.00 S ATOM 141 CE MET A 179 5.062 1.706 2.795 1.00 15.00 C ATOM 0 H MET A 179 0.839 4.399 3.636 1.00 15.00 H new ATOM 0 HA MET A 179 1.689 1.594 3.273 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.397 3.362 5.616 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.263 1.976 4.983 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.080 4.737 3.736 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.491 4.005 4.475 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.402 1.166 1.911 1.00 15.00 H new ATOM 0 HE2 MET A 179 5.925 2.050 3.364 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.459 1.043 3.416 1.00 15.00 H new ATOM 151 N ALA A 180 -0.180 0.757 4.680 1.00 15.00 N ATOM 152 CA ALA A 180 -1.145 0.187 5.604 1.00 15.00 C ATOM 153 C ALA A 180 -0.943 -1.314 5.751 1.00 15.00 C ATOM 154 O ALA A 180 -0.807 -2.041 4.763 1.00 15.00 O ATOM 155 CB ALA A 180 -2.562 0.496 5.159 1.00 15.00 C ATOM 0 H ALA A 180 0.007 0.192 3.852 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.984 0.645 6.580 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.268 0.060 5.865 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.705 1.576 5.123 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.732 0.075 4.168 1.00 15.00 H new ATOM 161 N LYS A 181 -0.914 -1.764 6.993 1.00 15.00 N ATOM 162 CA LYS A 181 -0.729 -3.172 7.298 1.00 15.00 C ATOM 163 C LYS A 181 -1.970 -3.712 7.987 1.00 15.00 C ATOM 164 O LYS A 181 -2.337 -3.243 9.064 1.00 15.00 O ATOM 165 CB LYS A 181 0.477 -3.365 8.219 1.00 15.00 C ATOM 166 CG LYS A 181 1.776 -2.802 7.670 1.00 15.00 C ATOM 167 CD LYS A 181 2.849 -2.787 8.743 1.00 15.00 C ATOM 168 CE LYS A 181 4.156 -2.207 8.236 1.00 15.00 C ATOM 169 NZ LYS A 181 5.150 -2.076 9.334 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.017 -1.168 7.814 1.00 15.00 H new ATOM 0 HA LYS A 181 -0.557 -3.710 6.366 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.266 -2.893 9.179 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.608 -4.430 8.410 1.00 15.00 H new ATOM 0 HG2 LYS A 181 2.109 -3.402 6.823 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.612 -1.790 7.299 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.501 -2.204 9.595 1.00 15.00 H new ATOM 0 HD3 LYS A 181 3.018 -3.803 9.100 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.560 -2.846 7.451 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.974 -1.230 7.789 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 6.033 -1.677 8.957 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 4.772 -1.447 10.071 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.341 -3.013 9.743 1.00 15.00 H new ATOM 183 N THR A 182 -2.626 -4.675 7.370 1.00 15.00 N ATOM 184 CA THR A 182 -3.769 -5.305 7.996 1.00 15.00 C ATOM 185 C THR A 182 -3.307 -6.511 8.803 1.00 15.00 C ATOM 186 O THR A 182 -2.449 -7.275 8.350 1.00 15.00 O ATOM 187 CB THR A 182 -4.825 -5.751 6.960 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.282 -6.755 6.096 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.305 -4.573 6.124 1.00 15.00 C ATOM 0 H THR A 182 -2.390 -5.035 6.445 1.00 15.00 H new ATOM 0 HA THR A 182 -4.236 -4.569 8.650 1.00 15.00 H new ATOM 0 HB THR A 182 -5.674 -6.161 7.508 1.00 15.00 H new ATOM 0 HG1 THR A 182 -3.497 -6.397 5.632 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.047 -4.917 5.404 1.00 15.00 H new ATOM 0 HG22 THR A 182 -5.752 -3.822 6.776 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.460 -4.135 5.593 1.00 15.00 H new ATOM 197 N SER A 183 -3.866 -6.681 9.997 1.00 15.00 N ATOM 198 CA SER A 183 -3.546 -7.826 10.836 1.00 15.00 C ATOM 199 C SER A 183 -4.038 -9.116 10.182 1.00 15.00 C ATOM 200 O SER A 183 -3.659 -10.216 10.579 1.00 15.00 O ATOM 201 CB SER A 183 -4.149 -7.646 12.228 1.00 15.00 C ATOM 202 OG SER A 183 -3.644 -6.469 12.837 1.00 15.00 O ATOM 0 H SER A 183 -4.544 -6.037 10.404 1.00 15.00 H new ATOM 0 HA SER A 183 -2.464 -7.896 10.944 1.00 15.00 H new ATOM 0 HB2 SER A 183 -5.235 -7.589 12.156 1.00 15.00 H new ATOM 0 HB3 SER A 183 -3.916 -8.512 12.847 1.00 15.00 H new ATOM 0 HG SER A 183 -4.040 -6.366 13.727 1.00 15.00 H new ATOM 208 N SER A 184 -4.904 -8.955 9.182 1.00 15.00 N ATOM 209 CA SER A 184 -5.323 -10.051 8.314 1.00 15.00 C ATOM 210 C SER A 184 -4.116 -10.654 7.583 1.00 15.00 C ATOM 211 O SER A 184 -4.196 -11.745 7.017 1.00 15.00 O ATOM 212 CB SER A 184 -6.362 -9.540 7.305 1.00 15.00 C ATOM 213 OG SER A 184 -6.800 -10.565 6.428 1.00 15.00 O ATOM 0 H SER A 184 -5.334 -8.059 8.952 1.00 15.00 H new ATOM 0 HA SER A 184 -5.773 -10.834 8.924 1.00 15.00 H new ATOM 0 HB2 SER A 184 -7.218 -9.132 7.842 1.00 15.00 H new ATOM 0 HB3 SER A 184 -5.932 -8.725 6.723 1.00 15.00 H new ATOM 0 HG SER A 184 -6.719 -10.259 5.501 1.00 15.00 H new ATOM 219 N GLY A 185 -3.003 -9.929 7.603 1.00 15.00 N ATOM 220 CA GLY A 185 -1.807 -10.376 6.925 1.00 15.00 C ATOM 221 C GLY A 185 -1.745 -9.879 5.499 1.00 15.00 C ATOM 222 O GLY A 185 -1.258 -10.575 4.611 1.00 15.00 O ATOM 0 H GLY A 185 -2.911 -9.033 8.082 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -0.930 -10.026 7.469 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -1.773 -11.465 6.931 1.00 15.00 H new ATOM 226 N GLN A 186 -2.239 -8.672 5.278 1.00 15.00 N ATOM 227 CA GLN A 186 -2.165 -8.054 3.966 1.00 15.00 C ATOM 228 C GLN A 186 -1.425 -6.734 4.045 1.00 15.00 C ATOM 229 O GLN A 186 -1.939 -5.741 4.564 1.00 15.00 O ATOM 230 CB GLN A 186 -3.559 -7.854 3.370 1.00 15.00 C ATOM 231 CG GLN A 186 -4.193 -9.150 2.906 1.00 15.00 C ATOM 232 CD GLN A 186 -5.704 -9.088 2.847 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.383 -9.367 3.837 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.240 -8.739 1.689 1.00 15.00 N ATOM 0 H GLN A 186 -2.695 -8.102 5.990 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.613 -8.725 3.307 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.203 -7.386 4.114 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.493 -7.165 2.528 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -3.807 -9.402 1.918 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -3.895 -9.954 3.579 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -5.639 -8.516 0.895 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.254 -8.693 1.590 1.00 15.00 H new ATOM 243 N ARG A 187 -0.196 -6.745 3.571 1.00 15.00 N ATOM 244 CA ARG A 187 0.599 -5.539 3.510 1.00 15.00 C ATOM 245 C ARG A 187 0.429 -4.898 2.139 1.00 15.00 C ATOM 246 O ARG A 187 1.050 -5.314 1.164 1.00 15.00 O ATOM 247 CB ARG A 187 2.078 -5.844 3.806 1.00 15.00 C ATOM 248 CG ARG A 187 2.698 -6.889 2.883 1.00 15.00 C ATOM 249 CD ARG A 187 4.066 -7.341 3.369 1.00 15.00 C ATOM 250 NE ARG A 187 5.044 -6.254 3.427 1.00 15.00 N ATOM 251 CZ ARG A 187 5.910 -6.096 4.429 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.846 -6.878 5.501 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.836 -5.150 4.370 1.00 15.00 N ATOM 0 H ARG A 187 0.274 -7.580 3.221 1.00 15.00 H new ATOM 0 HA ARG A 187 0.256 -4.839 4.272 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.651 -4.920 3.727 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.167 -6.187 4.837 1.00 15.00 H new ATOM 0 HG2 ARG A 187 2.035 -7.751 2.815 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.789 -6.477 1.878 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.965 -7.783 4.360 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.440 -8.123 2.708 1.00 15.00 H new ATOM 0 HE ARG A 187 5.065 -5.581 2.660 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.132 -7.604 5.561 1.00 15.00 H new ATOM 0 HH12 ARG A 187 6.511 -6.753 6.264 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.889 -4.538 3.556 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.496 -5.034 5.139 1.00 15.00 H new ATOM 267 N TYR A 188 -0.467 -3.932 2.040 1.00 15.00 N ATOM 268 CA TYR A 188 -0.691 -3.285 0.769 1.00 15.00 C ATOM 269 C TYR A 188 -0.122 -1.885 0.789 1.00 15.00 C ATOM 270 O TYR A 188 -0.173 -1.177 1.805 1.00 15.00 O ATOM 271 CB TYR A 188 -2.179 -3.281 0.371 1.00 15.00 C ATOM 272 CG TYR A 188 -3.115 -2.571 1.325 1.00 15.00 C ATOM 273 CD1 TYR A 188 -3.072 -1.193 1.483 1.00 15.00 C ATOM 274 CD2 TYR A 188 -4.066 -3.282 2.043 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.937 -0.546 2.335 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.938 -2.635 2.903 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.867 -1.272 3.046 1.00 15.00 C ATOM 278 OH TYR A 188 -5.735 -0.631 3.901 1.00 15.00 O ATOM 0 H TYR A 188 -1.039 -3.587 2.811 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.169 -3.863 0.006 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.272 -2.817 -0.611 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.511 -4.314 0.268 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.346 -0.618 0.927 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -4.127 -4.354 1.930 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.887 0.527 2.446 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.671 -3.201 3.459 1.00 15.00 H new ATOM 0 HH TYR A 188 -6.326 -1.290 4.322 1.00 15.00 H new ATOM 288 N PHE A 189 0.430 -1.499 -0.336 1.00 15.00 N ATOM 289 CA PHE A 189 1.026 -0.199 -0.477 1.00 15.00 C ATOM 290 C PHE A 189 0.492 0.459 -1.742 1.00 15.00 C ATOM 291 O PHE A 189 0.552 -0.116 -2.826 1.00 15.00 O ATOM 292 CB PHE A 189 2.552 -0.330 -0.526 1.00 15.00 C ATOM 293 CG PHE A 189 3.120 -1.232 0.540 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.286 -0.771 1.831 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.485 -2.533 0.247 1.00 15.00 C ATOM 296 CE1 PHE A 189 3.806 -1.587 2.817 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.007 -3.358 1.227 1.00 15.00 C ATOM 298 CZ PHE A 189 4.167 -2.882 2.514 1.00 15.00 C ATOM 0 H PHE A 189 0.477 -2.077 -1.175 1.00 15.00 H new ATOM 0 HA PHE A 189 0.768 0.425 0.379 1.00 15.00 H new ATOM 0 HB2 PHE A 189 2.843 -0.712 -1.505 1.00 15.00 H new ATOM 0 HB3 PHE A 189 2.996 0.660 -0.425 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.005 0.243 2.074 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.361 -2.909 -0.758 1.00 15.00 H new ATOM 0 HE1 PHE A 189 3.929 -1.211 3.822 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.289 -4.372 0.986 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.574 -3.524 3.281 1.00 15.00 H new ATOM 308 N LEU A 190 -0.049 1.654 -1.598 1.00 15.00 N ATOM 309 CA LEU A 190 -0.584 2.387 -2.737 1.00 15.00 C ATOM 310 C LEU A 190 0.492 3.249 -3.362 1.00 15.00 C ATOM 311 O LEU A 190 1.277 3.864 -2.651 1.00 15.00 O ATOM 312 CB LEU A 190 -1.692 3.346 -2.313 1.00 15.00 C ATOM 313 CG LEU A 190 -3.128 2.845 -2.310 1.00 15.00 C ATOM 314 CD1 LEU A 190 -4.029 3.983 -2.765 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.302 1.623 -3.199 1.00 15.00 C ATOM 0 H LEU A 190 -0.131 2.140 -0.705 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.963 1.639 -3.434 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.461 3.694 -1.306 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.646 4.215 -2.969 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.399 2.533 -1.301 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -5.066 3.646 -2.771 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.925 4.825 -2.081 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.743 4.294 -3.770 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.341 1.296 -3.169 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -3.031 1.877 -4.224 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.659 0.819 -2.842 1.00 15.00 H new ATOM 327 N ASN A 191 0.506 3.348 -4.674 1.00 15.00 N ATOM 328 CA ASN A 191 1.287 4.383 -5.301 1.00 15.00 C ATOM 329 C ASN A 191 0.402 5.603 -5.460 1.00 15.00 C ATOM 330 O ASN A 191 -0.412 5.660 -6.387 1.00 15.00 O ATOM 331 CB ASN A 191 1.839 3.962 -6.668 1.00 15.00 C ATOM 332 CG ASN A 191 2.700 2.712 -6.623 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.396 1.753 -5.917 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.788 2.721 -7.374 1.00 15.00 N ATOM 0 H ASN A 191 -0.004 2.737 -5.312 1.00 15.00 H new ATOM 0 HA ASN A 191 2.150 4.595 -4.669 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.005 3.793 -7.350 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.427 4.782 -7.080 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.410 1.912 -7.381 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.006 3.537 -7.947 1.00 15.00 H new ATOM 341 N HIS A 192 0.514 6.556 -4.525 1.00 15.00 N ATOM 342 CA HIS A 192 -0.269 7.792 -4.598 1.00 15.00 C ATOM 343 C HIS A 192 0.194 8.621 -5.790 1.00 15.00 C ATOM 344 O HIS A 192 -0.413 9.630 -6.139 1.00 15.00 O ATOM 345 CB HIS A 192 -0.168 8.620 -3.304 1.00 15.00 C ATOM 346 CG HIS A 192 -1.282 8.369 -2.319 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.471 9.074 -2.316 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.374 7.494 -1.291 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.237 8.638 -1.334 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.597 7.683 -0.690 1.00 15.00 N ATOM 0 H HIS A 192 1.134 6.494 -3.717 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.316 7.516 -4.723 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.785 8.403 -2.821 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.160 9.679 -3.563 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.623 6.777 -0.996 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.225 9.004 -1.097 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.949 7.170 0.118 1.00 15.00 H new ATOM 359 N ILE A 193 1.287 8.181 -6.398 1.00 15.00 N ATOM 360 CA ILE A 193 1.813 8.799 -7.597 1.00 15.00 C ATOM 361 C ILE A 193 1.294 8.077 -8.843 1.00 15.00 C ATOM 362 O ILE A 193 0.635 8.677 -9.693 1.00 15.00 O ATOM 363 CB ILE A 193 3.356 8.763 -7.592 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.897 9.432 -6.323 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.913 9.441 -8.838 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.393 9.288 -6.150 1.00 15.00 C ATOM 0 H ILE A 193 1.832 7.384 -6.069 1.00 15.00 H new ATOM 0 HA ILE A 193 1.478 9.836 -7.617 1.00 15.00 H new ATOM 0 HB ILE A 193 3.680 7.722 -7.600 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.643 10.492 -6.345 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.397 9.002 -5.455 1.00 15.00 H new ATOM 0 HG21 ILE A 193 5.002 9.405 -8.816 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.551 8.923 -9.726 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.585 10.480 -8.864 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.703 9.786 -5.231 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.653 8.231 -6.095 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.903 9.743 -6.999 1.00 15.00 H new ATOM 378 N ASP A 194 1.564 6.775 -8.917 1.00 15.00 N ATOM 379 CA ASP A 194 1.250 5.980 -10.107 1.00 15.00 C ATOM 380 C ASP A 194 -0.237 5.673 -10.231 1.00 15.00 C ATOM 381 O ASP A 194 -0.688 5.245 -11.295 1.00 15.00 O ATOM 382 CB ASP A 194 2.011 4.651 -10.090 1.00 15.00 C ATOM 383 CG ASP A 194 3.512 4.819 -10.062 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.070 4.997 -8.961 1.00 15.00 O1- ATOM 385 OD2 ASP A 194 4.141 4.749 -11.138 1.00 15.00 O ATOM 0 H ASP A 194 2.002 6.244 -8.164 1.00 15.00 H new ATOM 0 HA ASP A 194 1.555 6.586 -10.960 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.701 4.075 -9.218 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.734 4.071 -10.970 1.00 15.00 H new ATOM 390 N GLN A 195 -0.984 5.858 -9.140 1.00 15.00 N ATOM 391 CA GLN A 195 -2.411 5.523 -9.112 1.00 15.00 C ATOM 392 C GLN A 195 -2.573 4.010 -9.246 1.00 15.00 C ATOM 393 O GLN A 195 -3.339 3.510 -10.071 1.00 15.00 O ATOM 394 CB GLN A 195 -3.158 6.276 -10.231 1.00 15.00 C ATOM 395 CG GLN A 195 -4.665 6.060 -10.243 1.00 15.00 C ATOM 396 CD GLN A 195 -5.366 6.883 -11.305 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.914 7.972 -11.662 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.477 6.374 -11.809 1.00 15.00 N ATOM 0 H GLN A 195 -0.625 6.238 -8.264 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.847 5.835 -8.163 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.958 7.343 -10.130 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.752 5.966 -11.194 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.875 5.004 -10.411 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -5.072 6.315 -9.264 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.816 5.468 -11.485 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.995 6.887 -12.522 1.00 15.00 H new ATOM 407 N THR A 196 -1.840 3.279 -8.417 1.00 15.00 N ATOM 408 CA THR A 196 -1.847 1.824 -8.488 1.00 15.00 C ATOM 409 C THR A 196 -1.866 1.188 -7.101 1.00 15.00 C ATOM 410 O THR A 196 -1.366 1.764 -6.130 1.00 15.00 O ATOM 411 CB THR A 196 -0.620 1.298 -9.264 1.00 15.00 C ATOM 412 OG1 THR A 196 0.576 1.888 -8.747 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.725 1.595 -10.752 1.00 15.00 C ATOM 0 H THR A 196 -1.236 3.667 -7.692 1.00 15.00 H new ATOM 0 HA THR A 196 -2.759 1.544 -9.015 1.00 15.00 H new ATOM 0 HB THR A 196 -0.589 0.216 -9.134 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.350 1.548 -9.243 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.157 1.209 -11.263 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.617 1.117 -11.156 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.790 2.672 -10.904 1.00 15.00 H new ATOM 421 N THR A 197 -2.469 0.008 -7.017 1.00 15.00 N ATOM 422 CA THR A 197 -2.535 -0.738 -5.773 1.00 15.00 C ATOM 423 C THR A 197 -1.502 -1.868 -5.771 1.00 15.00 C ATOM 424 O THR A 197 -1.620 -2.833 -6.526 1.00 15.00 O ATOM 425 CB THR A 197 -3.943 -1.327 -5.569 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.927 -0.342 -5.915 1.00 15.00 O ATOM 427 CG2 THR A 197 -4.137 -1.748 -4.123 1.00 15.00 C ATOM 0 H THR A 197 -2.922 -0.453 -7.806 1.00 15.00 H new ATOM 0 HA THR A 197 -2.315 -0.052 -4.955 1.00 15.00 H new ATOM 0 HB THR A 197 -4.054 -2.202 -6.209 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.824 -0.716 -5.787 1.00 15.00 H new ATOM 0 HG21 THR A 197 -5.137 -2.162 -3.996 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.396 -2.503 -3.861 1.00 15.00 H new ATOM 0 HG23 THR A 197 -4.018 -0.881 -3.473 1.00 15.00 H new ATOM 435 N THR A 198 -0.493 -1.738 -4.922 1.00 15.00 N ATOM 436 CA THR A 198 0.616 -2.679 -4.892 1.00 15.00 C ATOM 437 C THR A 198 0.464 -3.701 -3.748 1.00 15.00 C ATOM 438 O THR A 198 0.379 -3.320 -2.579 1.00 15.00 O ATOM 439 CB THR A 198 1.940 -1.900 -4.735 1.00 15.00 C ATOM 440 OG1 THR A 198 2.103 -0.999 -5.841 1.00 15.00 O ATOM 441 CG2 THR A 198 3.142 -2.824 -4.658 1.00 15.00 C ATOM 0 H THR A 198 -0.420 -0.983 -4.240 1.00 15.00 H new ATOM 0 HA THR A 198 0.620 -3.235 -5.829 1.00 15.00 H new ATOM 0 HB THR A 198 1.885 -1.346 -3.798 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.177 -0.081 -5.507 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.050 -2.231 -4.548 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.036 -3.488 -3.800 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.204 -3.417 -5.570 1.00 15.00 H new ATOM 449 N TRP A 199 0.401 -4.998 -4.093 1.00 15.00 N ATOM 450 CA TRP A 199 0.393 -6.068 -3.087 1.00 15.00 C ATOM 451 C TRP A 199 1.811 -6.384 -2.615 1.00 15.00 C ATOM 452 O TRP A 199 2.010 -6.968 -1.549 1.00 15.00 O ATOM 453 CB TRP A 199 -0.200 -7.364 -3.648 1.00 15.00 C ATOM 454 CG TRP A 199 -1.679 -7.556 -3.488 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.520 -8.079 -4.427 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.499 -7.252 -2.348 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.787 -8.177 -3.930 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.801 -7.674 -2.665 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.275 -6.683 -1.087 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.851 -7.562 -1.785 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.354 -6.544 -0.225 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.627 -7.001 -0.592 1.00 15.00 C ATOM 0 H TRP A 199 0.355 -5.328 -5.057 1.00 15.00 H new ATOM 0 HA TRP A 199 -0.217 -5.706 -2.259 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.036 -7.413 -4.711 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.305 -8.203 -3.170 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -2.224 -8.374 -5.423 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.591 -8.563 -4.425 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.287 -6.361 -0.793 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.835 -7.919 -2.051 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.211 -6.079 0.739 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.446 -6.898 0.105 1.00 15.00 H new ATOM 473 N GLN A 200 2.789 -6.030 -3.436 1.00 15.00 N ATOM 474 CA GLN A 200 4.174 -6.408 -3.190 1.00 15.00 C ATOM 475 C GLN A 200 4.873 -5.352 -2.351 1.00 15.00 C ATOM 476 O GLN A 200 4.549 -4.173 -2.434 1.00 15.00 O ATOM 477 CB GLN A 200 4.918 -6.586 -4.518 1.00 15.00 C ATOM 478 CG GLN A 200 4.301 -7.626 -5.444 1.00 15.00 C ATOM 479 CD GLN A 200 4.218 -9.004 -4.815 1.00 15.00 C ATOM 480 OE1 GLN A 200 3.213 -9.364 -4.203 1.00 15.00 O ATOM 481 NE2 GLN A 200 5.278 -9.782 -4.952 1.00 15.00 N ATOM 0 H GLN A 200 2.648 -5.479 -4.283 1.00 15.00 H new ATOM 0 HA GLN A 200 4.180 -7.352 -2.646 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.949 -5.627 -5.036 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.950 -6.869 -4.309 1.00 15.00 H new ATOM 0 HG2 GLN A 200 3.300 -7.302 -5.730 1.00 15.00 H new ATOM 0 HG3 GLN A 200 4.890 -7.685 -6.359 1.00 15.00 H new ATOM 0 HE21 GLN A 200 6.093 -9.448 -5.467 1.00 15.00 H new ATOM 0 HE22 GLN A 200 5.281 -10.716 -4.543 1.00 15.00 H new ATOM 490 N ASP A 201 5.844 -5.778 -1.561 1.00 15.00 N ATOM 491 CA ASP A 201 6.606 -4.856 -0.729 1.00 15.00 C ATOM 492 C ASP A 201 7.736 -4.215 -1.535 1.00 15.00 C ATOM 493 O ASP A 201 8.711 -4.880 -1.884 1.00 15.00 O ATOM 494 CB ASP A 201 7.170 -5.589 0.488 1.00 15.00 C ATOM 495 CG ASP A 201 7.961 -4.675 1.398 1.00 15.00 C ATOM 496 OD1 ASP A 201 7.338 -3.877 2.126 1.00 15.00 O1- ATOM 497 OD2 ASP A 201 9.202 -4.761 1.392 1.00 15.00 O ATOM 0 H ASP A 201 6.125 -6.755 -1.477 1.00 15.00 H new ATOM 0 HA ASP A 201 5.939 -4.066 -0.385 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.351 -6.037 1.051 1.00 15.00 H new ATOM 0 HB3 ASP A 201 7.810 -6.405 0.153 1.00 15.00 H new ATOM 502 N PRO A 202 7.604 -2.916 -1.865 1.00 15.00 N ATOM 503 CA PRO A 202 8.578 -2.182 -2.690 1.00 15.00 C ATOM 504 C PRO A 202 9.979 -2.106 -2.081 1.00 15.00 C ATOM 505 O PRO A 202 10.936 -1.743 -2.767 1.00 15.00 O ATOM 506 CB PRO A 202 7.980 -0.779 -2.829 1.00 15.00 C ATOM 507 CG PRO A 202 6.969 -0.666 -1.739 1.00 15.00 C ATOM 508 CD PRO A 202 6.464 -2.060 -1.490 1.00 15.00 C ATOM 0 HA PRO A 202 8.727 -2.694 -3.641 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.749 -0.013 -2.731 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.519 -0.644 -3.807 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.414 -0.246 -0.837 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.154 -0.003 -2.031 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.181 -2.203 -0.447 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.583 -2.280 -2.092 1.00 15.00 H new ATOM 609 N PRO B 207 -9.310 -8.927 -2.782 1.00 15.00 N ATOM 610 CA PRO B 207 -9.247 -7.606 -3.440 1.00 15.00 C ATOM 611 C PRO B 207 -8.909 -6.474 -2.466 1.00 15.00 C ATOM 612 O PRO B 207 -9.520 -6.349 -1.401 1.00 15.00 O ATOM 613 CB PRO B 207 -10.661 -7.430 -3.993 1.00 15.00 C ATOM 614 CG PRO B 207 -11.146 -8.817 -4.229 1.00 15.00 C ATOM 615 CD PRO B 207 -10.533 -9.664 -3.149 1.00 15.00 C ATOM 0 HA PRO B 207 -8.463 -7.564 -4.196 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -11.300 -6.901 -3.286 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.657 -6.849 -4.915 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -12.234 -8.861 -4.188 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.850 -9.170 -5.217 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -11.204 -9.776 -2.298 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.304 -10.667 -3.508 1.00 15.00 H new ATOM 623 N PRO B 208 -7.953 -5.608 -2.842 1.00 15.00 N ATOM 624 CA PRO B 208 -7.295 -4.650 -1.968 1.00 15.00 C ATOM 625 C PRO B 208 -7.995 -3.280 -2.010 1.00 15.00 C ATOM 626 O PRO B 208 -9.002 -3.115 -2.703 1.00 15.00 O ATOM 627 CB PRO B 208 -5.868 -4.595 -2.599 1.00 15.00 C ATOM 628 CG PRO B 208 -5.971 -5.430 -3.849 1.00 15.00 C ATOM 629 CD PRO B 208 -7.415 -5.379 -4.168 1.00 15.00 C ATOM 0 HA PRO B 208 -7.302 -4.923 -0.913 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.576 -3.570 -2.830 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -5.117 -4.994 -1.917 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.365 -5.022 -4.658 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.631 -6.452 -3.680 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.720 -4.419 -4.585 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.715 -6.146 -4.882 1.00 15.00 H new ATOM 637 N PRO B 209 -7.484 -2.299 -1.251 1.00 15.00 N ATOM 638 CA PRO B 209 -8.054 -0.941 -1.152 1.00 15.00 C ATOM 639 C PRO B 209 -8.370 -0.273 -2.489 1.00 15.00 C ATOM 640 O PRO B 209 -7.682 -0.488 -3.491 1.00 15.00 O ATOM 641 CB PRO B 209 -6.928 -0.140 -0.488 1.00 15.00 C ATOM 642 CG PRO B 209 -5.739 -1.030 -0.508 1.00 15.00 C ATOM 643 CD PRO B 209 -6.288 -2.411 -0.418 1.00 15.00 C ATOM 0 HA PRO B 209 -9.005 -0.982 -0.622 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.734 0.786 -1.029 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.193 0.137 0.532 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.160 -0.894 -1.422 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -5.072 -0.816 0.327 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.590 -3.156 -0.799 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.526 -2.693 0.608 1.00 15.00 H new ATOM 651 N PRO B 210 -9.411 0.573 -2.499 1.00 15.00 N ATOM 652 CA PRO B 210 -9.661 1.501 -3.596 1.00 15.00 C ATOM 653 C PRO B 210 -8.644 2.640 -3.575 1.00 15.00 C ATOM 654 O PRO B 210 -8.318 3.172 -2.513 1.00 15.00 O ATOM 655 CB PRO B 210 -11.069 2.028 -3.309 1.00 15.00 C ATOM 656 CG PRO B 210 -11.239 1.882 -1.838 1.00 15.00 C ATOM 657 CD PRO B 210 -10.431 0.676 -1.439 1.00 15.00 C ATOM 0 HA PRO B 210 -9.576 1.034 -4.577 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.172 3.068 -3.617 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.823 1.458 -3.852 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -10.892 2.773 -1.316 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.289 1.750 -1.579 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -9.976 0.806 -0.457 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -11.048 -0.221 -1.389 1.00 15.00 H new ATOM 665 N TYR B 211 -8.166 3.023 -4.746 1.00 15.00 N ATOM 666 CA TYR B 211 -7.107 4.023 -4.864 1.00 15.00 C ATOM 667 C TYR B 211 -7.573 5.445 -4.499 1.00 15.00 C ATOM 668 O TYR B 211 -6.744 6.339 -4.333 1.00 15.00 O ATOM 669 CB TYR B 211 -6.459 4.001 -6.265 1.00 15.00 C ATOM 670 CG TYR B 211 -5.489 5.144 -6.465 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.209 5.083 -5.938 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.874 6.303 -7.130 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.338 6.143 -6.065 1.00 15.00 C ATOM 674 CE2 TYR B 211 -5.002 7.363 -7.269 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.738 7.280 -6.733 1.00 15.00 C ATOM 676 OH TYR B 211 -2.875 8.342 -6.862 1.00 15.00 O ATOM 0 H TYR B 211 -8.495 2.656 -5.639 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.351 3.743 -4.130 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.937 3.055 -6.407 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.239 4.052 -7.025 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.889 4.191 -5.420 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.869 6.374 -7.543 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.346 6.083 -5.643 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.310 8.254 -7.796 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.315 9.062 -7.361 1.00 15.00 H new ATOM 686 N SER B 212 -8.873 5.652 -4.309 1.00 15.00 N ATOM 687 CA SER B 212 -9.453 6.994 -4.403 1.00 15.00 C ATOM 688 C SER B 212 -8.811 7.959 -3.399 1.00 15.00 C ATOM 689 O SER B 212 -8.096 8.877 -3.817 1.00 15.00 O ATOM 690 CB SER B 212 -10.967 6.920 -4.167 1.00 15.00 C ATOM 691 OG SER B 212 -11.566 8.206 -4.205 1.00 15.00 O ATOM 0 H SER B 212 -9.543 4.915 -4.090 1.00 15.00 H new ATOM 0 HA SER B 212 -9.255 7.378 -5.404 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.423 6.283 -4.925 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.163 6.455 -3.201 1.00 15.00 H new ATOM 0 HG SER B 212 -12.530 8.122 -4.053 1.00 15.00 H new ATOM 697 N ARG B 213 -9.042 7.798 -2.105 1.00 15.00 N ATOM 698 CA ARG B 213 -8.282 8.597 -1.152 1.00 15.00 C ATOM 699 C ARG B 213 -7.484 7.718 -0.202 1.00 15.00 C ATOM 700 O ARG B 213 -6.259 7.633 -0.294 1.00 15.00 O ATOM 701 CB ARG B 213 -9.216 9.492 -0.333 1.00 15.00 C ATOM 702 CG ARG B 213 -9.948 10.544 -1.146 1.00 15.00 C ATOM 703 CD ARG B 213 -8.997 11.569 -1.741 1.00 15.00 C ATOM 704 NE ARG B 213 -9.734 12.677 -2.350 1.00 15.00 N ATOM 705 CZ ARG B 213 -9.349 13.324 -3.449 1.00 15.00 C ATOM 706 NH1 ARG B 213 -8.196 13.030 -4.033 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -10.112 14.284 -3.958 1.00 15.00 N ATOM 0 H ARG B 213 -9.719 7.151 -1.701 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.592 9.214 -1.728 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.950 8.864 0.172 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.634 9.990 0.443 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.506 10.059 -1.947 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.676 11.050 -0.512 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.336 11.951 -0.963 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.365 11.092 -2.491 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.601 12.974 -1.903 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.596 12.304 -3.641 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -7.908 13.530 -4.874 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.994 14.527 -3.507 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -9.816 14.779 -4.800 1.00 15.00 H new ATOM 721 N TYR B 214 -8.197 7.045 0.689 1.00 15.00 N ATOM 722 CA TYR B 214 -7.582 6.195 1.695 1.00 15.00 C ATOM 723 C TYR B 214 -8.077 4.759 1.561 1.00 15.00 C ATOM 724 O TYR B 214 -9.241 4.529 1.224 1.00 15.00 O ATOM 725 CB TYR B 214 -7.856 6.753 3.101 1.00 15.00 C ATOM 726 CG TYR B 214 -6.967 7.931 3.467 1.00 15.00 C ATOM 727 CD1 TYR B 214 -6.735 8.963 2.565 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.356 8.006 4.712 1.00 15.00 C ATOM 729 CE1 TYR B 214 -5.924 10.031 2.884 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.542 9.074 5.044 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.328 10.083 4.128 1.00 15.00 C ATOM 732 OH TYR B 214 -4.517 11.149 4.460 1.00 15.00 O ATOM 0 H TYR B 214 -9.216 7.073 0.734 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.503 6.188 1.538 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -8.900 7.061 3.164 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.713 5.958 3.833 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.201 8.927 1.591 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.519 7.218 5.432 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.756 10.821 2.167 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -5.076 9.118 6.017 1.00 15.00 H new ATOM 0 HH TYR B 214 -4.178 11.031 5.372 1.00 15.00 H new ATOM 742 N PRO B 215 -7.210 3.777 1.843 1.00 15.00 N ATOM 743 CA PRO B 215 -7.566 2.359 1.758 1.00 15.00 C ATOM 744 C PRO B 215 -8.580 1.945 2.813 1.00 15.00 C ATOM 745 O PRO B 215 -9.597 1.320 2.507 1.00 15.00 O ATOM 746 CB PRO B 215 -6.240 1.627 1.996 1.00 15.00 C ATOM 747 CG PRO B 215 -5.183 2.662 1.862 1.00 15.00 C ATOM 748 CD PRO B 215 -5.814 3.964 2.252 1.00 15.00 C ATOM 0 HA PRO B 215 -8.032 2.128 0.800 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.217 1.169 2.985 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.099 0.826 1.270 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.333 2.434 2.505 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.807 2.703 0.840 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.727 4.153 3.322 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.351 4.808 1.741 1.00 15.00 H new