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= 0.74 K(o=1.1,f=-6!) USER MOD Set 1.2: A 196 THR OG1 : rot 180:sc= -0.115 USER MOD Set 1.3: A 198 THR OG1 : rot 112:sc= 0.43 USER MOD Set 2.1: A 184 SER OG : rot -19:sc= 0.857 USER MOD Set 2.2: A 186 GLN : amide:sc= -0.19 X(o=0.67,f=0.77) USER MOD Single : A 179 MET CE :methyl 170:sc= -6.74! (180deg=-7.11!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot 91:sc= -2.43! USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 188 TYR OH : rot 180:sc= -0.66 USER MOD Single : A 192 HIS : no HD1:sc= -0.531! C(o=-0.53!,f=-5.4!) USER MOD Single : A 195 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= 0.283 K(o=0.28,f=-4.6!) USER MOD Single : B 211 TYR OH : rot 180:sc= -0.0843 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 9.250 3.310 5.678 1.00 15.00 N ATOM 46 CA LEU A 173 8.126 3.738 4.862 1.00 15.00 C ATOM 47 C LEU A 173 8.592 4.746 3.814 1.00 15.00 C ATOM 48 O LEU A 173 9.046 5.839 4.161 1.00 15.00 O ATOM 49 CB LEU A 173 7.031 4.364 5.738 1.00 15.00 C ATOM 50 CG LEU A 173 6.527 3.498 6.904 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.517 4.276 7.730 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.901 2.200 6.406 1.00 15.00 C ATOM 0 HA LEU A 173 7.713 2.864 4.358 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.410 5.302 6.145 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.182 4.613 5.102 1.00 15.00 H new ATOM 0 HG LEU A 173 7.385 3.241 7.525 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.165 3.655 8.554 1.00 15.00 H new ATOM 0 HD12 LEU A 173 5.988 5.175 8.128 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.672 4.557 7.101 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.556 1.613 7.257 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.056 2.429 5.757 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.643 1.629 5.848 1.00 15.00 H new ATOM 64 N PRO A 174 8.539 4.367 2.523 1.00 15.00 N ATOM 65 CA PRO A 174 8.845 5.279 1.409 1.00 15.00 C ATOM 66 C PRO A 174 7.873 6.461 1.346 1.00 15.00 C ATOM 67 O PRO A 174 6.742 6.379 1.832 1.00 15.00 O ATOM 68 CB PRO A 174 8.692 4.394 0.162 1.00 15.00 C ATOM 69 CG PRO A 174 8.780 2.993 0.659 1.00 15.00 C ATOM 70 CD PRO A 174 8.210 3.014 2.045 1.00 15.00 C ATOM 0 HA PRO A 174 9.835 5.724 1.510 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.739 4.576 -0.334 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.476 4.603 -0.566 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.220 2.314 0.016 1.00 15.00 H new ATOM 0 HG3 PRO A 174 9.813 2.645 0.666 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.134 2.839 2.041 1.00 15.00 H new ATOM 0 HD3 PRO A 174 8.656 2.245 2.675 1.00 15.00 H new ATOM 78 N ALA A 175 8.305 7.550 0.725 1.00 15.00 N ATOM 79 CA ALA A 175 7.491 8.753 0.631 1.00 15.00 C ATOM 80 C ALA A 175 6.626 8.723 -0.624 1.00 15.00 C ATOM 81 O ALA A 175 7.076 8.301 -1.691 1.00 15.00 O ATOM 82 CB ALA A 175 8.373 9.990 0.637 1.00 15.00 C ATOM 0 H ALA A 175 9.218 7.624 0.277 1.00 15.00 H new ATOM 0 HA ALA A 175 6.833 8.790 1.499 1.00 15.00 H new ATOM 0 HB1 ALA A 175 7.750 10.882 0.566 1.00 15.00 H new ATOM 0 HB2 ALA A 175 8.948 10.022 1.562 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.054 9.955 -0.213 1.00 15.00 H new ATOM 88 N GLY A 176 5.390 9.187 -0.491 1.00 15.00 N ATOM 89 CA GLY A 176 4.442 9.126 -1.588 1.00 15.00 C ATOM 90 C GLY A 176 3.732 7.788 -1.637 1.00 15.00 C ATOM 91 O GLY A 176 3.077 7.445 -2.625 1.00 15.00 O ATOM 0 H GLY A 176 5.025 9.608 0.363 1.00 15.00 H new ATOM 0 HA2 GLY A 176 3.708 9.925 -1.480 1.00 15.00 H new ATOM 0 HA3 GLY A 176 4.963 9.297 -2.530 1.00 15.00 H new ATOM 95 N TRP A 177 3.842 7.046 -0.547 1.00 15.00 N ATOM 96 CA TRP A 177 3.248 5.724 -0.443 1.00 15.00 C ATOM 97 C TRP A 177 2.279 5.672 0.735 1.00 15.00 C ATOM 98 O TRP A 177 2.570 6.203 1.807 1.00 15.00 O ATOM 99 CB TRP A 177 4.340 4.663 -0.254 1.00 15.00 C ATOM 100 CG TRP A 177 5.224 4.452 -1.451 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.254 5.241 -1.864 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.174 3.355 -2.366 1.00 15.00 C ATOM 103 NE1 TRP A 177 6.838 4.713 -2.988 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.194 3.553 -3.317 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.363 2.230 -2.476 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.420 2.661 -4.359 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.588 1.344 -3.508 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.611 1.562 -4.439 1.00 15.00 C ATOM 0 H TRP A 177 4.345 7.343 0.289 1.00 15.00 H new ATOM 0 HA TRP A 177 2.704 5.518 -1.365 1.00 15.00 H new ATOM 0 HB2 TRP A 177 4.962 4.948 0.594 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.866 3.715 0.003 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.567 6.153 -1.376 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.624 5.120 -3.495 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.570 2.054 -1.764 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.207 2.830 -5.079 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 3.965 0.467 -3.600 1.00 15.00 H new ATOM 0 HH2 TRP A 177 5.764 0.848 -5.235 1.00 15.00 H new ATOM 119 N GLU A 178 1.135 5.034 0.533 1.00 15.00 N ATOM 120 CA GLU A 178 0.177 4.828 1.610 1.00 15.00 C ATOM 121 C GLU A 178 0.494 3.511 2.303 1.00 15.00 C ATOM 122 O GLU A 178 0.411 2.445 1.689 1.00 15.00 O ATOM 123 CB GLU A 178 -1.255 4.805 1.073 1.00 15.00 C ATOM 124 CG GLU A 178 -2.313 4.982 2.146 1.00 15.00 C ATOM 125 CD GLU A 178 -2.275 6.363 2.765 1.00 15.00 C ATOM 126 OE1 GLU A 178 -1.528 6.564 3.744 1.00 15.00 O ATOM 127 OE2 GLU A 178 -2.982 7.260 2.259 1.00 15.00 O1- ATOM 0 H GLU A 178 0.847 4.650 -0.367 1.00 15.00 H new ATOM 0 HA GLU A 178 0.255 5.652 2.319 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.368 5.595 0.331 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.426 3.859 0.560 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.298 4.806 1.715 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.168 4.233 2.924 1.00 15.00 H new ATOM 134 N MET A 179 0.855 3.584 3.571 1.00 15.00 N ATOM 135 CA MET A 179 1.375 2.422 4.282 1.00 15.00 C ATOM 136 C MET A 179 0.368 1.913 5.306 1.00 15.00 C ATOM 137 O MET A 179 0.072 2.610 6.277 1.00 15.00 O ATOM 138 CB MET A 179 2.680 2.792 4.999 1.00 15.00 C ATOM 139 CG MET A 179 3.570 3.736 4.205 1.00 15.00 C ATOM 140 SD MET A 179 4.104 3.050 2.625 1.00 15.00 S ATOM 141 CE MET A 179 5.297 1.835 3.160 1.00 15.00 C ATOM 0 H MET A 179 0.799 4.434 4.133 1.00 15.00 H new ATOM 0 HA MET A 179 1.562 1.634 3.552 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.439 3.254 5.957 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.236 1.880 5.216 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.032 4.667 4.026 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.448 3.984 4.801 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.582 1.209 2.315 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.180 2.340 3.552 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.858 1.213 3.940 1.00 15.00 H new ATOM 151 N ALA A 180 -0.173 0.717 5.090 1.00 15.00 N ATOM 152 CA ALA A 180 -1.067 0.112 6.073 1.00 15.00 C ATOM 153 C ALA A 180 -0.988 -1.407 6.044 1.00 15.00 C ATOM 154 O ALA A 180 -0.714 -2.008 5.003 1.00 15.00 O ATOM 155 CB ALA A 180 -2.499 0.573 5.870 1.00 15.00 C ATOM 0 H ALA A 180 -0.011 0.154 4.255 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.735 0.446 7.056 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.141 0.106 6.617 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.551 1.657 5.974 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.835 0.288 4.873 1.00 15.00 H new ATOM 161 N LYS A 181 -1.225 -2.022 7.193 1.00 15.00 N ATOM 162 CA LYS A 181 -1.129 -3.469 7.335 1.00 15.00 C ATOM 163 C LYS A 181 -2.359 -4.004 8.061 1.00 15.00 C ATOM 164 O LYS A 181 -2.667 -3.561 9.169 1.00 15.00 O ATOM 165 CB LYS A 181 0.137 -3.819 8.122 1.00 15.00 C ATOM 166 CG LYS A 181 1.401 -3.198 7.550 1.00 15.00 C ATOM 167 CD LYS A 181 2.554 -3.279 8.534 1.00 15.00 C ATOM 168 CE LYS A 181 3.756 -2.491 8.044 1.00 15.00 C ATOM 169 NZ LYS A 181 4.820 -2.404 9.078 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.488 -1.536 8.050 1.00 15.00 H new ATOM 0 HA LYS A 181 -1.079 -3.927 6.347 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.016 -3.490 9.154 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.253 -4.903 8.144 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.673 -3.709 6.626 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.212 -2.155 7.294 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.235 -2.895 9.503 1.00 15.00 H new ATOM 0 HD3 LYS A 181 2.836 -4.322 8.682 1.00 15.00 H new ATOM 0 HE2 LYS A 181 4.159 -2.963 7.148 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.441 -1.486 7.762 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 5.623 -1.859 8.705 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 4.444 -1.931 9.924 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 5.139 -3.361 9.329 1.00 15.00 H new ATOM 183 N THR A 182 -3.063 -4.942 7.441 1.00 15.00 N ATOM 184 CA THR A 182 -4.269 -5.509 8.034 1.00 15.00 C ATOM 185 C THR A 182 -3.938 -6.760 8.848 1.00 15.00 C ATOM 186 O THR A 182 -3.032 -7.520 8.488 1.00 15.00 O ATOM 187 CB THR A 182 -5.311 -5.870 6.961 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.781 -6.870 6.086 1.00 15.00 O ATOM 189 CG2 THR A 182 -5.709 -4.648 6.147 1.00 15.00 C ATOM 0 H THR A 182 -2.821 -5.327 6.528 1.00 15.00 H new ATOM 0 HA THR A 182 -4.689 -4.747 8.690 1.00 15.00 H new ATOM 0 HB THR A 182 -6.197 -6.252 7.468 1.00 15.00 H new ATOM 0 HG1 THR A 182 -5.010 -7.759 6.429 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.446 -4.935 5.397 1.00 15.00 H new ATOM 0 HG22 THR A 182 -6.138 -3.895 6.808 1.00 15.00 H new ATOM 0 HG23 THR A 182 -4.829 -4.238 5.652 1.00 15.00 H new ATOM 197 N SER A 183 -4.696 -6.983 9.922 1.00 15.00 N ATOM 198 CA SER A 183 -4.450 -8.094 10.845 1.00 15.00 C ATOM 199 C SER A 183 -4.676 -9.450 10.174 1.00 15.00 C ATOM 200 O SER A 183 -4.259 -10.489 10.690 1.00 15.00 O ATOM 201 CB SER A 183 -5.351 -7.963 12.071 1.00 15.00 C ATOM 202 OG SER A 183 -5.242 -6.667 12.642 1.00 15.00 O ATOM 0 H SER A 183 -5.495 -6.402 10.177 1.00 15.00 H new ATOM 0 HA SER A 183 -3.405 -8.045 11.152 1.00 15.00 H new ATOM 0 HB2 SER A 183 -6.386 -8.155 11.789 1.00 15.00 H new ATOM 0 HB3 SER A 183 -5.077 -8.715 12.811 1.00 15.00 H new ATOM 0 HG SER A 183 -5.828 -6.604 13.425 1.00 15.00 H new ATOM 208 N SER A 184 -5.360 -9.432 9.037 1.00 15.00 N ATOM 209 CA SER A 184 -5.515 -10.615 8.200 1.00 15.00 C ATOM 210 C SER A 184 -4.171 -11.017 7.603 1.00 15.00 C ATOM 211 O SER A 184 -4.016 -12.111 7.055 1.00 15.00 O ATOM 212 CB SER A 184 -6.543 -10.367 7.097 1.00 15.00 C ATOM 213 OG SER A 184 -6.675 -11.500 6.251 1.00 15.00 O ATOM 0 H SER A 184 -5.822 -8.600 8.670 1.00 15.00 H new ATOM 0 HA SER A 184 -5.878 -11.434 8.821 1.00 15.00 H new ATOM 0 HB2 SER A 184 -7.509 -10.129 7.543 1.00 15.00 H new ATOM 0 HB3 SER A 184 -6.244 -9.502 6.506 1.00 15.00 H new ATOM 0 HG SER A 184 -5.892 -12.080 6.356 1.00 15.00 H new ATOM 219 N GLY A 185 -3.214 -10.102 7.682 1.00 15.00 N ATOM 220 CA GLY A 185 -1.912 -10.322 7.107 1.00 15.00 C ATOM 221 C GLY A 185 -1.835 -9.834 5.683 1.00 15.00 C ATOM 222 O GLY A 185 -1.166 -10.438 4.846 1.00 15.00 O ATOM 0 H GLY A 185 -3.325 -9.199 8.143 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -1.159 -9.810 7.707 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -1.676 -11.386 7.139 1.00 15.00 H new ATOM 226 N GLN A 186 -2.516 -8.725 5.409 1.00 15.00 N ATOM 227 CA GLN A 186 -2.398 -8.076 4.111 1.00 15.00 C ATOM 228 C GLN A 186 -1.642 -6.772 4.255 1.00 15.00 C ATOM 229 O GLN A 186 -2.135 -5.809 4.848 1.00 15.00 O ATOM 230 CB GLN A 186 -3.754 -7.805 3.440 1.00 15.00 C ATOM 231 CG GLN A 186 -4.378 -9.020 2.765 1.00 15.00 C ATOM 232 CD GLN A 186 -5.015 -9.994 3.736 1.00 15.00 C ATOM 233 OE1 GLN A 186 -4.371 -10.920 4.226 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.294 -9.801 4.015 1.00 15.00 N ATOM 0 H GLN A 186 -3.148 -8.262 6.062 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.855 -8.768 3.468 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.447 -7.426 4.191 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.627 -7.018 2.697 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -5.133 -8.683 2.054 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -3.611 -9.541 2.192 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -6.797 -9.022 3.590 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -6.777 -10.431 4.655 1.00 15.00 H new ATOM 243 N ARG A 187 -0.432 -6.758 3.736 1.00 15.00 N ATOM 244 CA ARG A 187 0.383 -5.560 3.743 1.00 15.00 C ATOM 245 C ARG A 187 0.304 -4.884 2.379 1.00 15.00 C ATOM 246 O ARG A 187 0.895 -5.357 1.411 1.00 15.00 O ATOM 247 CB ARG A 187 1.837 -5.898 4.097 1.00 15.00 C ATOM 248 CG ARG A 187 2.424 -7.014 3.247 1.00 15.00 C ATOM 249 CD ARG A 187 3.774 -7.471 3.763 1.00 15.00 C ATOM 250 NE ARG A 187 4.809 -6.448 3.623 1.00 15.00 N ATOM 251 CZ ARG A 187 6.012 -6.546 4.185 1.00 15.00 C ATOM 252 NH1 ARG A 187 6.294 -7.575 4.971 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.935 -5.617 3.977 1.00 15.00 N ATOM 0 H ARG A 187 0.011 -7.567 3.302 1.00 15.00 H new ATOM 0 HA ARG A 187 0.005 -4.875 4.502 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.448 -5.003 3.981 1.00 15.00 H new ATOM 0 HB3 ARG A 187 1.890 -6.186 5.147 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.736 -7.859 3.233 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.527 -6.670 2.218 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.682 -7.747 4.813 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.080 -8.367 3.223 1.00 15.00 H new ATOM 0 HE ARG A 187 4.599 -5.619 3.068 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.590 -8.292 5.145 1.00 15.00 H new ATOM 0 HH12 ARG A 187 7.216 -7.650 5.402 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.727 -4.816 3.381 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.853 -5.703 4.413 1.00 15.00 H new ATOM 267 N TYR A 188 -0.465 -3.813 2.281 1.00 15.00 N ATOM 268 CA TYR A 188 -0.606 -3.131 1.015 1.00 15.00 C ATOM 269 C TYR A 188 0.033 -1.757 1.075 1.00 15.00 C ATOM 270 O TYR A 188 -0.024 -1.057 2.097 1.00 15.00 O ATOM 271 CB TYR A 188 -2.078 -3.045 0.578 1.00 15.00 C ATOM 272 CG TYR A 188 -3.021 -2.399 1.574 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.920 -1.053 1.897 1.00 15.00 C ATOM 274 CD2 TYR A 188 -4.031 -3.141 2.173 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.784 -0.469 2.795 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.904 -2.557 3.077 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.773 -1.225 3.386 1.00 15.00 C ATOM 278 OH TYR A 188 -5.638 -0.644 4.286 1.00 15.00 O ATOM 0 H TYR A 188 -0.992 -3.405 3.053 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.082 -3.717 0.260 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.129 -2.487 -0.357 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.435 -4.053 0.368 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.150 -0.453 1.435 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -4.137 -4.188 1.931 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.687 0.579 3.036 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.684 -3.146 3.536 1.00 15.00 H new ATOM 0 HH TYR A 188 -6.275 -1.316 4.608 1.00 15.00 H new ATOM 288 N PHE A 189 0.648 -1.389 -0.023 1.00 15.00 N ATOM 289 CA PHE A 189 1.284 -0.102 -0.142 1.00 15.00 C ATOM 290 C PHE A 189 0.739 0.616 -1.370 1.00 15.00 C ATOM 291 O PHE A 189 0.798 0.094 -2.482 1.00 15.00 O ATOM 292 CB PHE A 189 2.803 -0.276 -0.239 1.00 15.00 C ATOM 293 CG PHE A 189 3.397 -1.096 0.876 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.465 -0.590 2.163 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.899 -2.364 0.636 1.00 15.00 C ATOM 296 CE1 PHE A 189 4.022 -1.330 3.188 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.458 -3.110 1.659 1.00 15.00 C ATOM 298 CZ PHE A 189 4.519 -2.590 2.936 1.00 15.00 C ATOM 0 H PHE A 189 0.721 -1.972 -0.856 1.00 15.00 H new ATOM 0 HA PHE A 189 1.068 0.499 0.741 1.00 15.00 H new ATOM 0 HB2 PHE A 189 3.044 -0.747 -1.192 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.272 0.708 -0.242 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.077 0.397 2.368 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.854 -2.776 -0.361 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.068 -0.921 4.186 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.846 -4.098 1.458 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.955 -3.170 3.736 1.00 15.00 H new ATOM 308 N LEU A 190 0.179 1.794 -1.163 1.00 15.00 N ATOM 309 CA LEU A 190 -0.368 2.576 -2.263 1.00 15.00 C ATOM 310 C LEU A 190 0.686 3.492 -2.850 1.00 15.00 C ATOM 311 O LEU A 190 1.400 4.158 -2.109 1.00 15.00 O ATOM 312 CB LEU A 190 -1.507 3.479 -1.792 1.00 15.00 C ATOM 313 CG LEU A 190 -2.925 2.924 -1.833 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.853 4.027 -2.323 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.022 1.693 -2.724 1.00 15.00 C ATOM 0 H LEU A 190 0.090 2.232 -0.246 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.724 1.857 -3.001 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.294 3.776 -0.765 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.486 4.386 -2.397 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.218 2.605 -0.833 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.876 3.652 -2.361 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.802 4.875 -1.640 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.546 4.345 -3.320 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.048 1.326 -2.728 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.727 1.955 -3.740 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.360 0.915 -2.343 1.00 15.00 H new ATOM 327 N ASN A 191 0.758 3.585 -4.165 1.00 15.00 N ATOM 328 CA ASN A 191 1.517 4.653 -4.767 1.00 15.00 C ATOM 329 C ASN A 191 0.581 5.821 -4.957 1.00 15.00 C ATOM 330 O ASN A 191 -0.227 5.812 -5.890 1.00 15.00 O ATOM 331 CB ASN A 191 2.105 4.283 -6.133 1.00 15.00 C ATOM 332 CG ASN A 191 2.874 2.980 -6.159 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.492 2.005 -5.525 1.00 15.00 O ATOM 334 ND2 ASN A 191 3.966 2.959 -6.906 1.00 15.00 N ATOM 0 H ASN A 191 0.309 2.946 -4.821 1.00 15.00 H new ATOM 0 HA ASN A 191 2.355 4.881 -4.108 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.294 4.225 -6.859 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.767 5.086 -6.458 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.524 2.108 -6.969 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.249 3.794 -7.419 1.00 15.00 H new ATOM 341 N HIS A 192 0.657 6.803 -4.059 1.00 15.00 N ATOM 342 CA HIS A 192 -0.194 7.990 -4.149 1.00 15.00 C ATOM 343 C HIS A 192 0.254 8.866 -5.316 1.00 15.00 C ATOM 344 O HIS A 192 -0.357 9.890 -5.617 1.00 15.00 O ATOM 345 CB HIS A 192 -0.156 8.810 -2.851 1.00 15.00 C ATOM 346 CG HIS A 192 -1.294 8.548 -1.902 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.540 9.127 -2.030 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.356 7.787 -0.786 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.312 8.735 -1.036 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.621 7.922 -0.262 1.00 15.00 N ATOM 0 H HIS A 192 1.296 6.801 -3.264 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.218 7.652 -4.311 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.782 8.604 -2.336 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.153 9.869 -3.108 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.558 7.183 -0.380 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.339 9.031 -0.882 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.966 7.469 0.584 1.00 15.00 H new ATOM 359 N ILE A 193 1.348 8.463 -5.947 1.00 15.00 N ATOM 360 CA ILE A 193 1.866 9.155 -7.114 1.00 15.00 C ATOM 361 C ILE A 193 1.504 8.392 -8.391 1.00 15.00 C ATOM 362 O ILE A 193 1.118 8.988 -9.396 1.00 15.00 O ATOM 363 CB ILE A 193 3.401 9.312 -7.028 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.790 9.986 -5.707 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.928 10.116 -8.212 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.284 10.063 -5.472 1.00 15.00 C ATOM 0 H ILE A 193 1.897 7.651 -5.665 1.00 15.00 H new ATOM 0 HA ILE A 193 1.412 10.146 -7.142 1.00 15.00 H new ATOM 0 HB ILE A 193 3.853 8.320 -7.062 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.377 10.995 -5.690 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.331 9.440 -4.883 1.00 15.00 H new ATOM 0 HG21 ILE A 193 5.011 10.215 -8.132 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.678 9.603 -9.140 1.00 15.00 H new ATOM 0 HG23 ILE A 193 3.472 11.106 -8.211 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.477 10.553 -4.518 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.702 9.056 -5.455 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.749 10.635 -6.274 1.00 15.00 H new ATOM 378 N ASP A 194 1.613 7.065 -8.331 1.00 15.00 N ATOM 379 CA ASP A 194 1.388 6.223 -9.507 1.00 15.00 C ATOM 380 C ASP A 194 -0.074 5.825 -9.648 1.00 15.00 C ATOM 381 O ASP A 194 -0.478 5.326 -10.701 1.00 15.00 O ATOM 382 CB ASP A 194 2.240 4.953 -9.454 1.00 15.00 C ATOM 383 CG ASP A 194 3.727 5.232 -9.453 1.00 15.00 C ATOM 384 OD1 ASP A 194 4.298 5.420 -10.543 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.330 5.234 -8.362 1.00 15.00 O1- ATOM 0 H ASP A 194 1.855 6.551 -7.484 1.00 15.00 H new ATOM 0 HA ASP A 194 1.678 6.821 -10.371 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.982 4.388 -8.558 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.996 4.323 -10.310 1.00 15.00 H new ATOM 390 N GLN A 195 -0.852 6.013 -8.577 1.00 15.00 N ATOM 391 CA GLN A 195 -2.275 5.659 -8.574 1.00 15.00 C ATOM 392 C GLN A 195 -2.430 4.136 -8.616 1.00 15.00 C ATOM 393 O GLN A 195 -3.406 3.598 -9.142 1.00 15.00 O ATOM 394 CB GLN A 195 -2.976 6.347 -9.768 1.00 15.00 C ATOM 395 CG GLN A 195 -4.482 6.150 -9.829 1.00 15.00 C ATOM 396 CD GLN A 195 -5.136 6.967 -10.923 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.675 8.058 -11.262 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.209 6.442 -11.492 1.00 15.00 N ATOM 0 H GLN A 195 -0.519 6.410 -7.698 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.750 6.011 -7.658 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.766 7.416 -9.727 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.538 5.972 -10.693 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -4.700 5.094 -9.991 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -4.919 6.422 -8.868 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.559 5.535 -11.182 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -6.686 6.944 -12.241 1.00 15.00 H new ATOM 407 N THR A 196 -1.494 3.443 -7.984 1.00 15.00 N ATOM 408 CA THR A 196 -1.474 1.987 -8.047 1.00 15.00 C ATOM 409 C THR A 196 -1.511 1.348 -6.662 1.00 15.00 C ATOM 410 O THR A 196 -1.036 1.929 -5.681 1.00 15.00 O ATOM 411 CB THR A 196 -0.237 1.470 -8.809 1.00 15.00 C ATOM 412 OG1 THR A 196 0.955 2.050 -8.266 1.00 15.00 O ATOM 413 CG2 THR A 196 -0.329 1.795 -10.292 1.00 15.00 C ATOM 0 H THR A 196 -0.746 3.858 -7.428 1.00 15.00 H new ATOM 0 HA THR A 196 -2.376 1.698 -8.586 1.00 15.00 H new ATOM 0 HB THR A 196 -0.202 0.387 -8.693 1.00 15.00 H new ATOM 0 HG1 THR A 196 1.735 1.714 -8.756 1.00 15.00 H new ATOM 0 HG21 THR A 196 0.557 1.418 -10.803 1.00 15.00 H new ATOM 0 HG22 THR A 196 -1.218 1.325 -10.713 1.00 15.00 H new ATOM 0 HG23 THR A 196 -0.392 2.875 -10.425 1.00 15.00 H new ATOM 421 N THR A 197 -2.094 0.157 -6.594 1.00 15.00 N ATOM 422 CA THR A 197 -2.170 -0.599 -5.357 1.00 15.00 C ATOM 423 C THR A 197 -1.148 -1.733 -5.364 1.00 15.00 C ATOM 424 O THR A 197 -1.296 -2.710 -6.099 1.00 15.00 O ATOM 425 CB THR A 197 -3.579 -1.185 -5.162 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.559 -0.182 -5.462 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.769 -1.667 -3.733 1.00 15.00 C ATOM 0 H THR A 197 -2.525 -0.307 -7.393 1.00 15.00 H new ATOM 0 HA THR A 197 -1.951 0.081 -4.534 1.00 15.00 H new ATOM 0 HB THR A 197 -3.699 -2.034 -5.834 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.457 -0.555 -5.340 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.772 -2.077 -3.618 1.00 15.00 H new ATOM 0 HG22 THR A 197 -3.033 -2.439 -3.509 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.638 -0.831 -3.046 1.00 15.00 H new ATOM 435 N THR A 198 -0.111 -1.594 -4.557 1.00 15.00 N ATOM 436 CA THR A 198 0.978 -2.556 -4.537 1.00 15.00 C ATOM 437 C THR A 198 0.824 -3.561 -3.378 1.00 15.00 C ATOM 438 O THR A 198 0.655 -3.163 -2.223 1.00 15.00 O ATOM 439 CB THR A 198 2.323 -1.807 -4.434 1.00 15.00 C ATOM 440 OG1 THR A 198 2.485 -0.963 -5.581 1.00 15.00 O ATOM 441 CG2 THR A 198 3.500 -2.760 -4.344 1.00 15.00 C ATOM 0 H THR A 198 0.000 -0.819 -3.903 1.00 15.00 H new ATOM 0 HA THR A 198 0.952 -3.127 -5.465 1.00 15.00 H new ATOM 0 HB THR A 198 2.304 -1.213 -3.520 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.434 -0.024 -5.306 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.426 -2.189 -4.273 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.393 -3.388 -3.460 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.528 -3.388 -5.234 1.00 15.00 H new ATOM 449 N TRP A 199 0.856 -4.866 -3.696 1.00 15.00 N ATOM 450 CA TRP A 199 0.770 -5.916 -2.680 1.00 15.00 C ATOM 451 C TRP A 199 2.144 -6.232 -2.086 1.00 15.00 C ATOM 452 O TRP A 199 2.253 -6.698 -0.953 1.00 15.00 O ATOM 453 CB TRP A 199 0.222 -7.215 -3.281 1.00 15.00 C ATOM 454 CG TRP A 199 -1.268 -7.409 -3.233 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.041 -7.908 -4.245 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.172 -7.128 -2.147 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.344 -8.021 -3.840 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.446 -7.548 -2.567 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.044 -6.585 -0.858 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.557 -7.458 -1.760 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.187 -6.468 -0.075 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.423 -6.924 -0.545 1.00 15.00 C ATOM 0 H TRP A 199 0.941 -5.214 -4.651 1.00 15.00 H new ATOM 0 HA TRP A 199 0.103 -5.541 -1.903 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.538 -7.267 -4.323 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.690 -8.052 -2.764 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.675 -8.175 -5.225 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.110 -8.397 -4.398 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.082 -6.266 -0.484 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.518 -7.812 -2.103 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.120 -6.021 0.906 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.291 -6.842 0.092 1.00 15.00 H new ATOM 473 N GLN A 200 3.186 -6.019 -2.879 1.00 15.00 N ATOM 474 CA GLN A 200 4.533 -6.433 -2.506 1.00 15.00 C ATOM 475 C GLN A 200 5.317 -5.254 -1.945 1.00 15.00 C ATOM 476 O GLN A 200 5.093 -4.115 -2.329 1.00 15.00 O ATOM 477 CB GLN A 200 5.245 -7.013 -3.734 1.00 15.00 C ATOM 478 CG GLN A 200 6.643 -7.550 -3.453 1.00 15.00 C ATOM 479 CD GLN A 200 6.652 -8.678 -2.436 1.00 15.00 C ATOM 480 OE1 GLN A 200 6.772 -8.443 -1.231 1.00 15.00 O ATOM 481 NE2 GLN A 200 6.527 -9.910 -2.910 1.00 15.00 N ATOM 0 H GLN A 200 3.124 -5.560 -3.788 1.00 15.00 H new ATOM 0 HA GLN A 200 4.471 -7.198 -1.732 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.636 -7.817 -4.146 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.313 -6.240 -4.499 1.00 15.00 H new ATOM 0 HG2 GLN A 200 7.084 -7.905 -4.385 1.00 15.00 H new ATOM 0 HG3 GLN A 200 7.273 -6.737 -3.091 1.00 15.00 H new ATOM 0 HE21 GLN A 200 6.430 -10.063 -3.914 1.00 15.00 H new ATOM 0 HE22 GLN A 200 6.528 -10.705 -2.271 1.00 15.00 H new ATOM 490 N ASP A 201 6.245 -5.542 -1.045 1.00 15.00 N ATOM 491 CA ASP A 201 7.085 -4.510 -0.448 1.00 15.00 C ATOM 492 C ASP A 201 8.001 -3.886 -1.508 1.00 15.00 C ATOM 493 O ASP A 201 8.906 -4.551 -2.014 1.00 15.00 O ATOM 494 CB ASP A 201 7.918 -5.116 0.687 1.00 15.00 C ATOM 495 CG ASP A 201 8.698 -4.084 1.470 1.00 15.00 C ATOM 496 OD1 ASP A 201 9.839 -3.768 1.075 1.00 15.00 O ATOM 497 OD2 ASP A 201 8.184 -3.602 2.499 1.00 15.00 O1- ATOM 0 H ASP A 201 6.437 -6.486 -0.710 1.00 15.00 H new ATOM 0 HA ASP A 201 6.448 -3.725 -0.042 1.00 15.00 H new ATOM 0 HB2 ASP A 201 7.257 -5.655 1.366 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.611 -5.847 0.270 1.00 15.00 H new ATOM 502 N PRO A 202 7.761 -2.604 -1.871 1.00 15.00 N ATOM 503 CA PRO A 202 8.517 -1.904 -2.922 1.00 15.00 C ATOM 504 C PRO A 202 10.022 -1.853 -2.671 1.00 15.00 C ATOM 505 O PRO A 202 10.798 -1.521 -3.570 1.00 15.00 O ATOM 506 CB PRO A 202 7.941 -0.481 -2.935 1.00 15.00 C ATOM 507 CG PRO A 202 7.103 -0.355 -1.705 1.00 15.00 C ATOM 508 CD PRO A 202 6.697 -1.752 -1.313 1.00 15.00 C ATOM 0 HA PRO A 202 8.411 -2.432 -3.870 1.00 15.00 H new ATOM 0 HB2 PRO A 202 8.739 0.261 -2.939 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.344 -0.312 -3.831 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.663 0.125 -0.902 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.226 0.264 -1.896 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.628 -1.858 -0.230 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.721 -2.013 -1.722 1.00 15.00 H new ATOM 609 N PRO B 207 -8.951 -8.943 -3.010 1.00 15.00 N ATOM 610 CA PRO B 207 -8.903 -7.617 -3.653 1.00 15.00 C ATOM 611 C PRO B 207 -8.630 -6.499 -2.653 1.00 15.00 C ATOM 612 O PRO B 207 -9.275 -6.415 -1.606 1.00 15.00 O ATOM 613 CB PRO B 207 -10.304 -7.455 -4.268 1.00 15.00 C ATOM 614 CG PRO B 207 -11.113 -8.600 -3.749 1.00 15.00 C ATOM 615 CD PRO B 207 -10.138 -9.692 -3.427 1.00 15.00 C ATOM 0 HA PRO B 207 -8.097 -7.553 -4.384 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -10.748 -6.501 -3.982 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.257 -7.471 -5.357 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -11.676 -8.308 -2.863 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -11.838 -8.932 -4.492 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -10.506 -10.344 -2.635 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -9.936 -10.324 -4.292 1.00 15.00 H new ATOM 623 N PRO B 208 -7.675 -5.614 -2.980 1.00 15.00 N ATOM 624 CA PRO B 208 -7.060 -4.664 -2.060 1.00 15.00 C ATOM 625 C PRO B 208 -7.789 -3.310 -2.059 1.00 15.00 C ATOM 626 O PRO B 208 -8.781 -3.128 -2.769 1.00 15.00 O ATOM 627 CB PRO B 208 -5.625 -4.540 -2.660 1.00 15.00 C ATOM 628 CG PRO B 208 -5.658 -5.411 -3.889 1.00 15.00 C ATOM 629 CD PRO B 208 -7.082 -5.365 -4.280 1.00 15.00 C ATOM 0 HA PRO B 208 -7.085 -4.981 -1.017 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.387 -3.506 -2.911 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -4.868 -4.879 -1.953 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.009 -5.026 -4.676 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.330 -6.428 -3.674 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.374 -4.402 -4.700 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.343 -6.126 -5.016 1.00 15.00 H new ATOM 637 N PRO B 209 -7.301 -2.354 -1.252 1.00 15.00 N ATOM 638 CA PRO B 209 -7.891 -1.013 -1.095 1.00 15.00 C ATOM 639 C PRO B 209 -8.211 -0.289 -2.400 1.00 15.00 C ATOM 640 O PRO B 209 -7.478 -0.394 -3.388 1.00 15.00 O ATOM 641 CB PRO B 209 -6.773 -0.224 -0.401 1.00 15.00 C ATOM 642 CG PRO B 209 -5.583 -1.115 -0.388 1.00 15.00 C ATOM 643 CD PRO B 209 -6.131 -2.500 -0.392 1.00 15.00 C ATOM 0 HA PRO B 209 -8.842 -1.094 -0.568 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.560 0.702 -0.936 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.063 0.053 0.613 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -4.950 -0.940 -1.258 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -4.968 -0.938 0.494 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.418 -3.221 -0.791 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.399 -2.837 0.609 1.00 15.00 H new ATOM 651 N PRO B 210 -9.302 0.492 -2.393 1.00 15.00 N ATOM 652 CA PRO B 210 -9.610 1.437 -3.460 1.00 15.00 C ATOM 653 C PRO B 210 -8.668 2.636 -3.394 1.00 15.00 C ATOM 654 O PRO B 210 -8.495 3.241 -2.334 1.00 15.00 O ATOM 655 CB PRO B 210 -11.056 1.874 -3.170 1.00 15.00 C ATOM 656 CG PRO B 210 -11.543 0.973 -2.081 1.00 15.00 C ATOM 657 CD PRO B 210 -10.324 0.509 -1.342 1.00 15.00 C ATOM 0 HA PRO B 210 -9.495 1.002 -4.453 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.094 2.918 -2.860 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.678 1.783 -4.060 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.224 1.502 -1.414 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.093 0.127 -2.493 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.060 1.186 -0.530 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.468 -0.477 -0.900 1.00 15.00 H new ATOM 665 N TYR B 211 -8.068 2.974 -4.522 1.00 15.00 N ATOM 666 CA TYR B 211 -7.065 4.035 -4.578 1.00 15.00 C ATOM 667 C TYR B 211 -7.652 5.433 -4.324 1.00 15.00 C ATOM 668 O TYR B 211 -6.904 6.386 -4.106 1.00 15.00 O ATOM 669 CB TYR B 211 -6.289 4.008 -5.907 1.00 15.00 C ATOM 670 CG TYR B 211 -5.311 5.155 -6.021 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.074 5.089 -5.407 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.649 6.324 -6.697 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.197 6.148 -5.455 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.773 7.389 -6.757 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.550 7.296 -6.132 1.00 15.00 C ATOM 676 OH TYR B 211 -2.674 8.353 -6.181 1.00 15.00 O ATOM 0 H TYR B 211 -8.257 2.528 -5.420 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.369 3.831 -3.764 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.751 3.064 -5.992 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -6.993 4.049 -6.738 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.791 4.190 -4.880 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.611 6.399 -7.182 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.237 6.080 -4.965 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.045 8.288 -7.290 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.073 9.085 -6.697 1.00 15.00 H new ATOM 686 N SER B 212 -8.972 5.556 -4.280 1.00 15.00 N ATOM 687 CA SER B 212 -9.622 6.848 -4.474 1.00 15.00 C ATOM 688 C SER B 212 -9.155 7.876 -3.436 1.00 15.00 C ATOM 689 O SER B 212 -8.566 8.894 -3.813 1.00 15.00 O ATOM 690 CB SER B 212 -11.134 6.662 -4.389 1.00 15.00 C ATOM 691 OG SER B 212 -11.549 5.562 -5.184 1.00 15.00 O ATOM 0 H SER B 212 -9.613 4.780 -4.112 1.00 15.00 H new ATOM 0 HA SER B 212 -9.348 7.231 -5.457 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.428 6.499 -3.352 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.637 7.569 -4.724 1.00 15.00 H new ATOM 0 HG SER B 212 -12.521 5.457 -5.116 1.00 15.00 H new ATOM 697 N ARG B 213 -9.398 7.656 -2.153 1.00 15.00 N ATOM 698 CA ARG B 213 -8.707 8.465 -1.155 1.00 15.00 C ATOM 699 C ARG B 213 -7.874 7.600 -0.224 1.00 15.00 C ATOM 700 O ARG B 213 -6.645 7.598 -0.292 1.00 15.00 O ATOM 701 CB ARG B 213 -9.691 9.294 -0.326 1.00 15.00 C ATOM 702 CG ARG B 213 -10.254 10.504 -1.054 1.00 15.00 C ATOM 703 CD ARG B 213 -9.145 11.449 -1.493 1.00 15.00 C ATOM 704 NE ARG B 213 -9.654 12.777 -1.830 1.00 15.00 N ATOM 705 CZ ARG B 213 -9.435 13.388 -2.993 1.00 15.00 C ATOM 706 NH1 ARG B 213 -8.770 12.770 -3.963 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -9.893 14.615 -3.194 1.00 15.00 N ATOM 0 H ARG B 213 -10.041 6.954 -1.786 1.00 15.00 H new ATOM 0 HA ARG B 213 -8.048 9.140 -1.700 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -10.517 8.654 -0.016 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.190 9.631 0.582 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.821 10.176 -1.925 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.949 11.033 -0.402 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.407 11.536 -0.696 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.632 11.028 -2.358 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.212 13.267 -1.131 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -8.423 11.821 -3.820 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -8.606 13.244 -4.851 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.414 15.092 -2.458 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -9.725 15.083 -4.085 1.00 15.00 H new ATOM 721 N TYR B 214 -8.553 6.850 0.633 1.00 15.00 N ATOM 722 CA TYR B 214 -7.882 5.994 1.594 1.00 15.00 C ATOM 723 C TYR B 214 -8.265 4.532 1.426 1.00 15.00 C ATOM 724 O TYR B 214 -9.392 4.216 1.042 1.00 15.00 O ATOM 725 CB TYR B 214 -8.132 6.498 3.016 1.00 15.00 C ATOM 726 CG TYR B 214 -7.098 7.520 3.428 1.00 15.00 C ATOM 727 CD1 TYR B 214 -6.911 8.679 2.685 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.278 7.306 4.528 1.00 15.00 C ATOM 729 CE1 TYR B 214 -5.941 9.597 3.024 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.310 8.224 4.882 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.142 9.367 4.127 1.00 15.00 C ATOM 732 OH TYR B 214 -4.166 10.274 4.468 1.00 15.00 O ATOM 0 H TYR B 214 -9.571 6.819 0.680 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.810 6.045 1.402 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.127 6.939 3.078 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -8.112 5.658 3.710 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.538 8.864 1.825 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.399 6.408 5.115 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.806 10.490 2.432 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.687 8.049 5.746 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.695 9.962 5.269 1.00 15.00 H new ATOM 742 N PRO B 215 -7.331 3.622 1.748 1.00 15.00 N ATOM 743 CA PRO B 215 -7.535 2.174 1.621 1.00 15.00 C ATOM 744 C PRO B 215 -8.614 1.617 2.539 1.00 15.00 C ATOM 745 O PRO B 215 -9.133 0.527 2.304 1.00 15.00 O ATOM 746 CB PRO B 215 -6.179 1.581 2.019 1.00 15.00 C ATOM 747 CG PRO B 215 -5.213 2.698 1.881 1.00 15.00 C ATOM 748 CD PRO B 215 -5.979 3.935 2.231 1.00 15.00 C ATOM 0 HA PRO B 215 -7.869 1.926 0.614 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.199 1.201 3.041 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -5.910 0.745 1.374 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.360 2.563 2.546 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.820 2.754 0.866 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.967 4.130 3.303 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.568 4.818 1.742 1.00 15.00 H new