USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 269 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 261 THR OG1 : rot 115:sc= -0.72 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -0.575 K(o=-1.3,f=0.1) USER MOD Set 2.1: A 242 GLN : amide:sc= 0.361 K(o=0.27,f=-1.1) USER MOD Set 2.2: A 244 THR OG1 : rot 180:sc= -0.0914 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0.0586 USER MOD Single : A 247 GLN : amide:sc= -0.177 K(o=-0.18,f=-3.8!) USER MOD Single : A 249 GLN : amide:sc= -5.15! C(o=-5.2!,f=-1.9!) USER MOD Single : A 251 TYR OH : rot 180:sc= 0.261 USER MOD Single : A 254 HIS : no HD1:sc= -3.65 K(o=-3.7,f=-1.6) USER MOD Single : A 255 THR OG1 : rot 45:sc= 0.161 USER MOD Single : A 256 GLN : amide:sc= -1.61! K(o=-1.6!,f=0) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 43:sc= 0.0129 USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 236 10.242 4.354 1.658 1.00 15.00 N ATOM 17 CA LEU A 236 10.055 2.931 1.892 1.00 15.00 C ATOM 18 C LEU A 236 11.238 2.154 1.331 1.00 15.00 C ATOM 19 O LEU A 236 12.035 2.697 0.566 1.00 15.00 O ATOM 20 CB LEU A 236 8.764 2.445 1.214 1.00 15.00 C ATOM 21 CG LEU A 236 7.604 3.444 1.223 1.00 15.00 C ATOM 22 CD1 LEU A 236 6.442 2.928 0.398 1.00 15.00 C ATOM 23 CD2 LEU A 236 7.158 3.725 2.646 1.00 15.00 C ATOM 0 HA LEU A 236 9.982 2.763 2.966 1.00 15.00 H new ATOM 0 HB2 LEU A 236 8.991 2.187 0.180 1.00 15.00 H new ATOM 0 HB3 LEU A 236 8.437 1.529 1.707 1.00 15.00 H new ATOM 0 HG LEU A 236 7.953 4.375 0.776 1.00 15.00 H new ATOM 0 HD11 LEU A 236 5.630 3.655 0.419 1.00 15.00 H new ATOM 0 HD12 LEU A 236 6.766 2.776 -0.632 1.00 15.00 H new ATOM 0 HD13 LEU A 236 6.093 1.982 0.812 1.00 15.00 H new ATOM 0 HD21 LEU A 236 6.333 4.437 2.635 1.00 15.00 H new ATOM 0 HD22 LEU A 236 6.830 2.797 3.115 1.00 15.00 H new ATOM 0 HD23 LEU A 236 7.990 4.143 3.212 1.00 15.00 H new ATOM 35 N PRO A 237 11.373 0.875 1.700 1.00 15.00 N ATOM 36 CA PRO A 237 12.316 -0.027 1.036 1.00 15.00 C ATOM 37 C PRO A 237 11.852 -0.338 -0.374 1.00 15.00 C ATOM 38 O PRO A 237 10.671 -0.196 -0.704 1.00 15.00 O ATOM 39 CB PRO A 237 12.276 -1.300 1.896 1.00 15.00 C ATOM 40 CG PRO A 237 11.617 -0.904 3.175 1.00 15.00 C ATOM 41 CD PRO A 237 10.700 0.237 2.841 1.00 15.00 C ATOM 0 HA PRO A 237 13.315 0.400 0.951 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.718 -2.092 1.397 1.00 15.00 H new ATOM 0 HB3 PRO A 237 13.281 -1.683 2.076 1.00 15.00 H new ATOM 0 HG2 PRO A 237 11.060 -1.739 3.600 1.00 15.00 H new ATOM 0 HG3 PRO A 237 12.357 -0.604 3.917 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.701 -0.111 2.578 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.588 0.924 3.680 1.00 15.00 H new ATOM 49 N GLU A 238 12.780 -0.795 -1.190 1.00 15.00 N ATOM 50 CA GLU A 238 12.515 -0.998 -2.608 1.00 15.00 C ATOM 51 C GLU A 238 11.553 -2.162 -2.811 1.00 15.00 C ATOM 52 O GLU A 238 11.833 -3.298 -2.421 1.00 15.00 O ATOM 53 CB GLU A 238 13.824 -1.266 -3.359 1.00 15.00 C ATOM 54 CG GLU A 238 13.642 -1.408 -4.862 1.00 15.00 C ATOM 55 CD GLU A 238 14.934 -1.699 -5.595 1.00 15.00 C ATOM 56 OE1 GLU A 238 15.041 -2.780 -6.214 1.00 15.00 O ATOM 57 OE2 GLU A 238 15.844 -0.844 -5.575 1.00 15.00 O1- ATOM 0 H GLU A 238 13.728 -1.035 -0.899 1.00 15.00 H new ATOM 0 HA GLU A 238 12.057 -0.092 -3.005 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.521 -0.452 -3.161 1.00 15.00 H new ATOM 0 HB3 GLU A 238 14.278 -2.177 -2.968 1.00 15.00 H new ATOM 0 HG2 GLU A 238 12.931 -2.209 -5.061 1.00 15.00 H new ATOM 0 HG3 GLU A 238 13.207 -0.490 -5.257 1.00 15.00 H new ATOM 64 N GLY A 239 10.410 -1.859 -3.412 1.00 15.00 N ATOM 65 CA GLY A 239 9.397 -2.862 -3.636 1.00 15.00 C ATOM 66 C GLY A 239 8.001 -2.355 -3.329 1.00 15.00 C ATOM 67 O GLY A 239 7.014 -2.956 -3.748 1.00 15.00 O ATOM 0 H GLY A 239 10.169 -0.927 -3.750 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.440 -3.192 -4.674 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.609 -3.733 -3.015 1.00 15.00 H new ATOM 71 N TYR A 240 7.917 -1.264 -2.580 1.00 15.00 N ATOM 72 CA TYR A 240 6.627 -0.684 -2.221 1.00 15.00 C ATOM 73 C TYR A 240 6.346 0.548 -3.061 1.00 15.00 C ATOM 74 O TYR A 240 7.198 1.429 -3.180 1.00 15.00 O ATOM 75 CB TYR A 240 6.604 -0.255 -0.751 1.00 15.00 C ATOM 76 CG TYR A 240 6.979 -1.326 0.236 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.239 -1.342 0.806 1.00 15.00 C ATOM 78 CD2 TYR A 240 6.075 -2.305 0.610 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.599 -2.308 1.715 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.421 -3.283 1.519 1.00 15.00 C ATOM 81 CZ TYR A 240 7.687 -3.285 2.069 1.00 15.00 C ATOM 82 OH TYR A 240 8.035 -4.261 2.973 1.00 15.00 O ATOM 0 H TYR A 240 8.724 -0.763 -2.209 1.00 15.00 H new ATOM 0 HA TYR A 240 5.872 -1.450 -2.398 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.284 0.587 -0.625 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.604 0.104 -0.510 1.00 15.00 H new ATOM 0 HD1 TYR A 240 8.954 -0.581 0.531 1.00 15.00 H new ATOM 0 HD2 TYR A 240 5.083 -2.303 0.183 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.588 -2.304 2.150 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.706 -4.042 1.799 1.00 15.00 H new ATOM 0 HH TYR A 240 7.276 -4.866 3.109 1.00 15.00 H new ATOM 92 N GLU A 241 5.153 0.624 -3.621 1.00 15.00 N ATOM 93 CA GLU A 241 4.699 1.848 -4.250 1.00 15.00 C ATOM 94 C GLU A 241 3.607 2.484 -3.400 1.00 15.00 C ATOM 95 O GLU A 241 2.730 1.794 -2.871 1.00 15.00 O ATOM 96 CB GLU A 241 4.204 1.602 -5.681 1.00 15.00 C ATOM 97 CG GLU A 241 3.094 0.568 -5.809 1.00 15.00 C ATOM 98 CD GLU A 241 2.533 0.505 -7.216 1.00 15.00 C ATOM 99 OE1 GLU A 241 1.324 0.760 -7.393 1.00 15.00 O ATOM 100 OE2 GLU A 241 3.306 0.230 -8.160 1.00 15.00 O1- ATOM 0 H GLU A 241 4.484 -0.145 -3.653 1.00 15.00 H new ATOM 0 HA GLU A 241 5.545 2.532 -4.319 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.850 2.546 -6.094 1.00 15.00 H new ATOM 0 HB3 GLU A 241 5.049 1.284 -6.292 1.00 15.00 H new ATOM 0 HG2 GLU A 241 3.478 -0.413 -5.528 1.00 15.00 H new ATOM 0 HG3 GLU A 241 2.293 0.808 -5.110 1.00 15.00 H new ATOM 107 N GLN A 242 3.656 3.799 -3.278 1.00 15.00 N ATOM 108 CA GLN A 242 2.692 4.520 -2.470 1.00 15.00 C ATOM 109 C GLN A 242 1.508 4.896 -3.343 1.00 15.00 C ATOM 110 O GLN A 242 1.602 5.778 -4.196 1.00 15.00 O ATOM 111 CB GLN A 242 3.354 5.763 -1.856 1.00 15.00 C ATOM 112 CG GLN A 242 2.549 6.471 -0.769 1.00 15.00 C ATOM 113 CD GLN A 242 1.454 7.369 -1.307 1.00 15.00 C ATOM 114 OE1 GLN A 242 1.697 8.533 -1.622 1.00 15.00 O ATOM 115 NE2 GLN A 242 0.240 6.853 -1.374 1.00 15.00 N ATOM 0 H GLN A 242 4.355 4.389 -3.730 1.00 15.00 H new ATOM 0 HA GLN A 242 2.339 3.894 -1.650 1.00 15.00 H new ATOM 0 HB2 GLN A 242 4.317 5.470 -1.437 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.557 6.476 -2.655 1.00 15.00 H new ATOM 0 HG2 GLN A 242 2.103 5.722 -0.114 1.00 15.00 H new ATOM 0 HG3 GLN A 242 3.227 7.066 -0.157 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.083 5.882 -1.103 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -0.540 7.425 -1.697 1.00 15.00 H new ATOM 124 N ARG A 243 0.412 4.180 -3.158 1.00 15.00 N ATOM 125 CA ARG A 243 -0.770 4.382 -3.975 1.00 15.00 C ATOM 126 C ARG A 243 -1.856 5.110 -3.202 1.00 15.00 C ATOM 127 O ARG A 243 -2.118 4.811 -2.035 1.00 15.00 O ATOM 128 CB ARG A 243 -1.298 3.046 -4.490 1.00 15.00 C ATOM 129 CG ARG A 243 -2.562 3.190 -5.315 1.00 15.00 C ATOM 130 CD ARG A 243 -2.805 1.973 -6.175 1.00 15.00 C ATOM 131 NE ARG A 243 -3.961 2.145 -7.049 1.00 15.00 N ATOM 132 CZ ARG A 243 -3.903 2.131 -8.378 1.00 15.00 C ATOM 133 NH1 ARG A 243 -2.748 1.920 -8.992 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -5.007 2.298 -9.093 1.00 15.00 N ATOM 0 H ARG A 243 0.317 3.453 -2.448 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.485 5.002 -4.825 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.529 2.565 -5.094 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.496 2.388 -3.643 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.414 3.344 -4.653 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.486 4.074 -5.948 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -1.920 1.773 -6.779 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -2.959 1.103 -5.537 1.00 15.00 H new ATOM 0 HE ARG A 243 -4.872 2.285 -6.613 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -1.900 1.768 -8.446 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -2.707 1.910 -10.011 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -5.902 2.437 -8.624 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -4.961 2.287 -10.112 1.00 15.00 H new ATOM 148 N THR A 244 -2.503 6.037 -3.881 1.00 15.00 N ATOM 149 CA THR A 244 -3.556 6.838 -3.297 1.00 15.00 C ATOM 150 C THR A 244 -4.798 6.787 -4.184 1.00 15.00 C ATOM 151 O THR A 244 -4.764 7.206 -5.342 1.00 15.00 O ATOM 152 CB THR A 244 -3.112 8.305 -3.130 1.00 15.00 C ATOM 153 OG1 THR A 244 -1.823 8.362 -2.504 1.00 15.00 O ATOM 154 CG2 THR A 244 -4.118 9.085 -2.296 1.00 15.00 C ATOM 0 H THR A 244 -2.310 6.255 -4.859 1.00 15.00 H new ATOM 0 HA THR A 244 -3.784 6.429 -2.313 1.00 15.00 H new ATOM 0 HB THR A 244 -3.055 8.756 -4.121 1.00 15.00 H new ATOM 0 HG1 THR A 244 -1.549 9.298 -2.404 1.00 15.00 H new ATOM 0 HG21 THR A 244 -3.782 10.117 -2.192 1.00 15.00 H new ATOM 0 HG22 THR A 244 -5.090 9.067 -2.788 1.00 15.00 H new ATOM 0 HG23 THR A 244 -4.203 8.630 -1.309 1.00 15.00 H new ATOM 162 N THR A 245 -5.877 6.252 -3.646 1.00 15.00 N ATOM 163 CA THR A 245 -7.136 6.175 -4.367 1.00 15.00 C ATOM 164 C THR A 245 -7.962 7.427 -4.105 1.00 15.00 C ATOM 165 O THR A 245 -7.829 8.047 -3.046 1.00 15.00 O ATOM 166 CB THR A 245 -7.935 4.903 -3.983 1.00 15.00 C ATOM 167 OG1 THR A 245 -9.262 4.946 -4.530 1.00 15.00 O ATOM 168 CG2 THR A 245 -8.009 4.728 -2.473 1.00 15.00 C ATOM 0 H THR A 245 -5.908 5.861 -2.704 1.00 15.00 H new ATOM 0 HA THR A 245 -6.914 6.111 -5.432 1.00 15.00 H new ATOM 0 HB THR A 245 -7.404 4.050 -4.405 1.00 15.00 H new ATOM 0 HG1 THR A 245 -9.747 4.133 -4.276 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.576 3.827 -2.238 1.00 15.00 H new ATOM 0 HG22 THR A 245 -7.001 4.639 -2.067 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.503 5.593 -2.030 1.00 15.00 H new ATOM 176 N VAL A 246 -8.788 7.812 -5.085 1.00 15.00 N ATOM 177 CA VAL A 246 -9.679 8.972 -4.958 1.00 15.00 C ATOM 178 C VAL A 246 -10.556 8.842 -3.706 1.00 15.00 C ATOM 179 O VAL A 246 -11.135 9.815 -3.220 1.00 15.00 O ATOM 180 CB VAL A 246 -10.581 9.121 -6.204 1.00 15.00 C ATOM 181 CG1 VAL A 246 -11.283 10.471 -6.218 1.00 15.00 C ATOM 182 CG2 VAL A 246 -9.777 8.923 -7.480 1.00 15.00 C ATOM 0 H VAL A 246 -8.858 7.332 -5.982 1.00 15.00 H new ATOM 0 HA VAL A 246 -9.053 9.860 -4.871 1.00 15.00 H new ATOM 0 HB VAL A 246 -11.345 8.345 -6.155 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -11.910 10.546 -7.106 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -11.903 10.568 -5.327 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -10.539 11.268 -6.231 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -10.433 9.032 -8.344 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -8.984 9.669 -7.530 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -9.338 7.925 -7.482 1.00 15.00 H new ATOM 192 N GLN A 247 -10.641 7.615 -3.203 1.00 15.00 N ATOM 193 CA GLN A 247 -11.281 7.302 -1.929 1.00 15.00 C ATOM 194 C GLN A 247 -10.723 8.161 -0.785 1.00 15.00 C ATOM 195 O GLN A 247 -11.386 8.364 0.232 1.00 15.00 O ATOM 196 CB GLN A 247 -11.065 5.813 -1.647 1.00 15.00 C ATOM 197 CG GLN A 247 -11.346 5.362 -0.227 1.00 15.00 C ATOM 198 CD GLN A 247 -12.824 5.354 0.118 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.600 6.179 -0.369 1.00 15.00 O ATOM 200 NE2 GLN A 247 -13.230 4.403 0.940 1.00 15.00 N ATOM 0 H GLN A 247 -10.261 6.796 -3.677 1.00 15.00 H new ATOM 0 HA GLN A 247 -12.346 7.527 -1.993 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.699 5.239 -2.322 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -10.032 5.563 -1.890 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -10.941 4.360 -0.084 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -10.822 6.019 0.466 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -12.558 3.738 1.323 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.216 4.333 1.192 1.00 15.00 H new ATOM 209 N GLY A 248 -9.496 8.641 -0.946 1.00 15.00 N ATOM 210 CA GLY A 248 -8.913 9.525 0.044 1.00 15.00 C ATOM 211 C GLY A 248 -7.925 8.820 0.953 1.00 15.00 C ATOM 212 O GLY A 248 -7.305 9.447 1.810 1.00 15.00 O ATOM 0 H GLY A 248 -8.895 8.434 -1.744 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -8.410 10.349 -0.463 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.708 9.961 0.648 1.00 15.00 H new ATOM 216 N GLN A 249 -7.775 7.517 0.770 1.00 15.00 N ATOM 217 CA GLN A 249 -6.870 6.737 1.601 1.00 15.00 C ATOM 218 C GLN A 249 -5.694 6.204 0.796 1.00 15.00 C ATOM 219 O GLN A 249 -5.839 5.821 -0.369 1.00 15.00 O ATOM 220 CB GLN A 249 -7.603 5.574 2.269 1.00 15.00 C ATOM 221 CG GLN A 249 -8.213 5.920 3.618 1.00 15.00 C ATOM 222 CD GLN A 249 -9.545 6.629 3.508 1.00 15.00 C ATOM 223 OE1 GLN A 249 -9.883 7.475 4.335 1.00 15.00 O ATOM 224 NE2 GLN A 249 -10.323 6.263 2.504 1.00 15.00 N ATOM 0 H GLN A 249 -8.266 6.979 0.056 1.00 15.00 H new ATOM 0 HA GLN A 249 -6.488 7.406 2.372 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -8.393 5.226 1.603 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -6.907 4.746 2.399 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -8.343 5.005 4.196 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -7.518 6.551 4.172 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -10.002 5.557 1.841 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -11.244 6.686 2.392 1.00 15.00 H new ATOM 233 N VAL A 250 -4.539 6.167 1.439 1.00 15.00 N ATOM 234 CA VAL A 250 -3.331 5.636 0.832 1.00 15.00 C ATOM 235 C VAL A 250 -3.112 4.190 1.273 1.00 15.00 C ATOM 236 O VAL A 250 -3.300 3.857 2.442 1.00 15.00 O ATOM 237 CB VAL A 250 -2.092 6.487 1.210 1.00 15.00 C ATOM 238 CG1 VAL A 250 -2.239 7.907 0.690 1.00 15.00 C ATOM 239 CG2 VAL A 250 -1.876 6.506 2.717 1.00 15.00 C ATOM 0 H VAL A 250 -4.413 6.503 2.394 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.457 5.672 -0.250 1.00 15.00 H new ATOM 0 HB VAL A 250 -1.221 6.027 0.744 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -1.359 8.488 0.966 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -2.336 7.889 -0.395 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -3.127 8.364 1.126 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -1.000 7.111 2.951 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.752 6.933 3.205 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.721 5.488 3.075 1.00 15.00 H new ATOM 249 N TYR A 251 -2.741 3.330 0.341 1.00 15.00 N ATOM 250 CA TYR A 251 -2.449 1.946 0.677 1.00 15.00 C ATOM 251 C TYR A 251 -1.111 1.521 0.079 1.00 15.00 C ATOM 252 O TYR A 251 -0.844 1.743 -1.103 1.00 15.00 O ATOM 253 CB TYR A 251 -3.608 1.006 0.271 1.00 15.00 C ATOM 254 CG TYR A 251 -4.157 1.141 -1.142 1.00 15.00 C ATOM 255 CD1 TYR A 251 -3.689 0.337 -2.183 1.00 15.00 C ATOM 256 CD2 TYR A 251 -5.202 2.018 -1.425 1.00 15.00 C ATOM 257 CE1 TYR A 251 -4.227 0.406 -3.437 1.00 15.00 C ATOM 258 CE2 TYR A 251 -5.738 2.093 -2.689 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.254 1.288 -3.692 1.00 15.00 C ATOM 260 OH TYR A 251 -5.797 1.371 -4.951 1.00 15.00 O ATOM 0 H TYR A 251 -2.635 3.562 -0.647 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.359 1.866 1.760 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.271 -0.022 0.404 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.430 1.165 0.969 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -2.883 -0.356 -1.993 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -5.596 2.647 -0.641 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -3.849 -0.228 -4.225 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -6.541 2.786 -2.894 1.00 15.00 H new ATOM 0 HH TYR A 251 -6.511 2.042 -4.956 1.00 15.00 H new ATOM 270 N PHE A 252 -0.271 0.915 0.916 1.00 15.00 N ATOM 271 CA PHE A 252 1.095 0.577 0.528 1.00 15.00 C ATOM 272 C PHE A 252 1.165 -0.795 -0.087 1.00 15.00 C ATOM 273 O PHE A 252 0.995 -1.805 0.601 1.00 15.00 O ATOM 274 CB PHE A 252 2.032 0.641 1.732 1.00 15.00 C ATOM 275 CG PHE A 252 2.363 2.052 2.126 1.00 15.00 C ATOM 276 CD1 PHE A 252 2.022 2.547 3.376 1.00 15.00 C ATOM 277 CD2 PHE A 252 2.980 2.901 1.222 1.00 15.00 C ATOM 278 CE1 PHE A 252 2.291 3.859 3.711 1.00 15.00 C ATOM 279 CE2 PHE A 252 3.259 4.208 1.558 1.00 15.00 C ATOM 280 CZ PHE A 252 2.912 4.689 2.802 1.00 15.00 C ATOM 0 H PHE A 252 -0.514 0.648 1.870 1.00 15.00 H new ATOM 0 HA PHE A 252 1.412 1.310 -0.214 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.569 0.130 2.576 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.953 0.106 1.501 1.00 15.00 H new ATOM 0 HD1 PHE A 252 1.541 1.900 4.094 1.00 15.00 H new ATOM 0 HD2 PHE A 252 3.246 2.534 0.242 1.00 15.00 H new ATOM 0 HE1 PHE A 252 2.015 4.235 4.685 1.00 15.00 H new ATOM 0 HE2 PHE A 252 3.750 4.855 0.846 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.126 5.715 3.064 1.00 15.00 H new ATOM 290 N LEU A 253 1.399 -0.828 -1.388 1.00 15.00 N ATOM 291 CA LEU A 253 1.424 -2.077 -2.117 1.00 15.00 C ATOM 292 C LEU A 253 2.804 -2.484 -2.578 1.00 15.00 C ATOM 293 O LEU A 253 3.580 -1.701 -3.121 1.00 15.00 O ATOM 294 CB LEU A 253 0.413 -2.083 -3.269 1.00 15.00 C ATOM 295 CG LEU A 253 -0.967 -2.624 -2.883 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.021 -4.107 -3.203 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.229 -2.369 -1.413 1.00 15.00 C ATOM 0 H LEU A 253 1.574 -0.001 -1.959 1.00 15.00 H new ATOM 0 HA LEU A 253 1.118 -2.841 -1.402 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.301 -1.066 -3.646 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.812 -2.684 -4.086 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.744 -2.113 -3.452 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -2.000 -4.502 -2.932 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -0.852 -4.255 -4.270 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.249 -4.630 -2.638 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.212 -2.756 -1.146 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.467 -2.870 -0.815 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.196 -1.297 -1.218 1.00 15.00 H new ATOM 309 N HIS A 254 3.057 -3.753 -2.346 1.00 15.00 N ATOM 310 CA HIS A 254 4.296 -4.418 -2.704 1.00 15.00 C ATOM 311 C HIS A 254 3.952 -5.801 -3.175 1.00 15.00 C ATOM 312 O HIS A 254 3.596 -6.653 -2.356 1.00 15.00 O ATOM 313 CB HIS A 254 5.232 -4.520 -1.485 1.00 15.00 C ATOM 314 CG HIS A 254 6.328 -5.556 -1.596 1.00 15.00 C ATOM 315 ND1 HIS A 254 6.197 -6.849 -1.120 1.00 15.00 N ATOM 316 CD2 HIS A 254 7.570 -5.484 -2.128 1.00 15.00 C ATOM 317 CE1 HIS A 254 7.308 -7.524 -1.364 1.00 15.00 C ATOM 318 NE2 HIS A 254 8.159 -6.717 -1.974 1.00 15.00 N ATOM 0 H HIS A 254 2.387 -4.372 -1.889 1.00 15.00 H new ATOM 0 HA HIS A 254 4.806 -3.850 -3.482 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.691 -3.546 -1.318 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.631 -4.744 -0.604 1.00 15.00 H new ATOM 0 HD2 HIS A 254 8.017 -4.616 -2.590 1.00 15.00 H new ATOM 0 HE1 HIS A 254 7.489 -8.558 -1.109 1.00 15.00 H new ATOM 0 HE2 HIS A 254 9.099 -6.968 -2.280 1.00 15.00 H new ATOM 327 N THR A 255 4.009 -6.068 -4.457 1.00 15.00 N ATOM 328 CA THR A 255 3.696 -7.411 -4.839 1.00 15.00 C ATOM 329 C THR A 255 4.948 -8.189 -5.189 1.00 15.00 C ATOM 330 O THR A 255 5.408 -8.224 -6.327 1.00 15.00 O ATOM 331 CB THR A 255 2.709 -7.438 -6.025 1.00 15.00 C ATOM 332 OG1 THR A 255 3.164 -6.566 -7.071 1.00 15.00 O ATOM 333 CG2 THR A 255 1.314 -7.020 -5.585 1.00 15.00 C ATOM 0 H THR A 255 4.253 -5.419 -5.205 1.00 15.00 H new ATOM 0 HA THR A 255 3.221 -7.888 -3.982 1.00 15.00 H new ATOM 0 HB THR A 255 2.664 -8.461 -6.399 1.00 15.00 H new ATOM 0 HG1 THR A 255 4.123 -6.706 -7.220 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.639 -7.048 -6.440 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.955 -7.704 -4.817 1.00 15.00 H new ATOM 0 HG23 THR A 255 1.348 -6.008 -5.182 1.00 15.00 H new ATOM 341 N GLN A 256 5.509 -8.770 -4.150 1.00 15.00 N ATOM 342 CA GLN A 256 6.198 -10.035 -4.205 1.00 15.00 C ATOM 343 C GLN A 256 5.244 -11.080 -3.662 1.00 15.00 C ATOM 344 O GLN A 256 5.027 -12.142 -4.241 1.00 15.00 O ATOM 345 CB GLN A 256 7.472 -10.004 -3.365 1.00 15.00 C ATOM 346 CG GLN A 256 8.319 -11.252 -3.490 1.00 15.00 C ATOM 347 CD GLN A 256 9.384 -11.342 -2.418 1.00 15.00 C ATOM 348 OE1 GLN A 256 10.502 -10.852 -2.586 1.00 15.00 O ATOM 349 NE2 GLN A 256 9.046 -11.973 -1.309 1.00 15.00 N ATOM 0 H GLN A 256 5.496 -8.360 -3.216 1.00 15.00 H new ATOM 0 HA GLN A 256 6.493 -10.261 -5.230 1.00 15.00 H new ATOM 0 HB2 GLN A 256 8.069 -9.141 -3.659 1.00 15.00 H new ATOM 0 HB3 GLN A 256 7.202 -9.863 -2.318 1.00 15.00 H new ATOM 0 HG2 GLN A 256 7.676 -12.130 -3.433 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.794 -11.268 -4.471 1.00 15.00 H new ATOM 0 HE21 GLN A 256 8.109 -12.364 -1.210 1.00 15.00 H new ATOM 0 HE22 GLN A 256 9.722 -12.069 -0.551 1.00 15.00 H new ATOM 358 N THR A 257 4.690 -10.727 -2.498 1.00 15.00 N ATOM 359 CA THR A 257 3.824 -11.589 -1.731 1.00 15.00 C ATOM 360 C THR A 257 2.513 -10.919 -1.418 1.00 15.00 C ATOM 361 O THR A 257 1.852 -11.188 -0.414 1.00 15.00 O ATOM 362 CB THR A 257 4.481 -11.930 -0.423 1.00 15.00 C ATOM 363 OG1 THR A 257 4.932 -10.716 0.203 1.00 15.00 O ATOM 364 CG2 THR A 257 5.655 -12.876 -0.605 1.00 15.00 C ATOM 0 H THR A 257 4.842 -9.816 -2.066 1.00 15.00 H new ATOM 0 HA THR A 257 3.642 -12.482 -2.329 1.00 15.00 H new ATOM 0 HB THR A 257 3.747 -12.436 0.204 1.00 15.00 H new ATOM 0 HG1 THR A 257 5.361 -10.929 1.058 1.00 15.00 H new ATOM 0 HG21 THR A 257 6.100 -13.095 0.366 1.00 15.00 H new ATOM 0 HG22 THR A 257 5.308 -13.802 -1.063 1.00 15.00 H new ATOM 0 HG23 THR A 257 6.401 -12.410 -1.249 1.00 15.00 H new ATOM 372 N GLY A 258 2.167 -10.096 -2.332 1.00 15.00 N ATOM 373 CA GLY A 258 0.963 -9.280 -2.263 1.00 15.00 C ATOM 374 C GLY A 258 0.783 -8.533 -0.943 1.00 15.00 C ATOM 375 O GLY A 258 -0.035 -8.925 -0.113 1.00 15.00 O ATOM 0 H GLY A 258 2.711 -9.949 -3.182 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.983 -8.555 -3.077 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.095 -9.919 -2.426 1.00 15.00 H new ATOM 379 N VAL A 259 1.536 -7.455 -0.746 1.00 15.00 N ATOM 380 CA VAL A 259 1.301 -6.585 0.411 1.00 15.00 C ATOM 381 C VAL A 259 0.311 -5.501 0.076 1.00 15.00 C ATOM 382 O VAL A 259 0.558 -4.684 -0.800 1.00 15.00 O ATOM 383 CB VAL A 259 2.577 -5.905 0.978 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.211 -4.831 1.997 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.436 -6.948 1.639 1.00 15.00 C ATOM 0 H VAL A 259 2.300 -7.163 -1.356 1.00 15.00 H new ATOM 0 HA VAL A 259 0.916 -7.256 1.179 1.00 15.00 H new ATOM 0 HB VAL A 259 3.119 -5.433 0.158 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.120 -4.368 2.381 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.592 -4.072 1.519 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.659 -5.284 2.821 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.334 -6.479 2.040 1.00 15.00 H new ATOM 0 HG22 VAL A 259 2.879 -7.418 2.450 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.718 -7.705 0.907 1.00 15.00 H new ATOM 395 N SER A 260 -0.798 -5.520 0.788 1.00 15.00 N ATOM 396 CA SER A 260 -1.790 -4.449 0.717 1.00 15.00 C ATOM 397 C SER A 260 -2.189 -4.035 2.119 1.00 15.00 C ATOM 398 O SER A 260 -2.870 -4.772 2.829 1.00 15.00 O ATOM 399 CB SER A 260 -3.020 -4.842 -0.122 1.00 15.00 C ATOM 400 OG SER A 260 -3.464 -6.157 0.180 1.00 15.00 O ATOM 0 H SER A 260 -1.043 -6.272 1.432 1.00 15.00 H new ATOM 0 HA SER A 260 -1.335 -3.600 0.207 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.828 -4.134 0.063 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.774 -4.775 -1.182 1.00 15.00 H new ATOM 0 HG SER A 260 -3.451 -6.292 1.151 1.00 15.00 H new ATOM 406 N THR A 261 -1.733 -2.867 2.532 1.00 15.00 N ATOM 407 CA THR A 261 -1.845 -2.501 3.938 1.00 15.00 C ATOM 408 C THR A 261 -1.977 -0.996 4.162 1.00 15.00 C ATOM 409 O THR A 261 -1.495 -0.185 3.366 1.00 15.00 O ATOM 410 CB THR A 261 -0.646 -3.040 4.748 1.00 15.00 C ATOM 411 OG1 THR A 261 -0.835 -2.768 6.142 1.00 15.00 O ATOM 412 CG2 THR A 261 0.663 -2.423 4.273 1.00 15.00 C ATOM 0 H THR A 261 -1.292 -2.169 1.934 1.00 15.00 H new ATOM 0 HA THR A 261 -2.767 -2.964 4.291 1.00 15.00 H new ATOM 0 HB THR A 261 -0.590 -4.117 4.592 1.00 15.00 H new ATOM 0 HG1 THR A 261 -0.929 -3.612 6.630 1.00 15.00 H new ATOM 0 HG21 THR A 261 1.488 -2.822 4.862 1.00 15.00 H new ATOM 0 HG22 THR A 261 0.818 -2.664 3.221 1.00 15.00 H new ATOM 0 HG23 THR A 261 0.620 -1.341 4.395 1.00 15.00 H new ATOM 420 N TRP A 262 -2.672 -0.652 5.246 1.00 15.00 N ATOM 421 CA TRP A 262 -2.788 0.727 5.707 1.00 15.00 C ATOM 422 C TRP A 262 -1.457 1.271 6.214 1.00 15.00 C ATOM 423 O TRP A 262 -1.194 2.471 6.128 1.00 15.00 O ATOM 424 CB TRP A 262 -3.781 0.826 6.868 1.00 15.00 C ATOM 425 CG TRP A 262 -5.227 0.879 6.488 1.00 15.00 C ATOM 426 CD1 TRP A 262 -6.266 0.341 7.187 1.00 15.00 C ATOM 427 CD2 TRP A 262 -5.804 1.508 5.342 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.447 0.621 6.571 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.196 1.327 5.436 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.291 2.211 4.251 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -8.073 1.821 4.493 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.170 2.694 3.305 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.550 2.495 3.438 1.00 15.00 C ATOM 0 H TRP A 262 -3.170 -1.325 5.829 1.00 15.00 H new ATOM 0 HA TRP A 262 -3.125 1.308 4.848 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.629 -0.031 7.525 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.545 1.718 7.448 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -6.166 -0.227 8.100 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -8.370 0.346 6.906 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.228 2.373 4.150 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.139 1.676 4.591 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -5.789 3.233 2.450 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.214 2.888 2.682 1.00 15.00 H new ATOM 444 N HIS A 263 -0.639 0.398 6.789 1.00 15.00 N ATOM 445 CA HIS A 263 0.529 0.853 7.526 1.00 15.00 C ATOM 446 C HIS A 263 1.731 1.015 6.612 1.00 15.00 C ATOM 447 O HIS A 263 2.004 0.160 5.768 1.00 15.00 O ATOM 448 CB HIS A 263 0.855 -0.100 8.699 1.00 15.00 C ATOM 449 CG HIS A 263 1.761 -1.260 8.375 1.00 15.00 C ATOM 450 ND1 HIS A 263 3.131 -1.204 8.520 1.00 15.00 N ATOM 451 CD2 HIS A 263 1.487 -2.519 7.958 1.00 15.00 C ATOM 452 CE1 HIS A 263 3.653 -2.376 8.212 1.00 15.00 C ATOM 453 NE2 HIS A 263 2.678 -3.194 7.869 1.00 15.00 N ATOM 0 H HIS A 263 -0.761 -0.614 6.760 1.00 15.00 H new ATOM 0 HA HIS A 263 0.292 1.832 7.943 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.315 0.482 9.497 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -0.082 -0.495 9.091 1.00 15.00 H new ATOM 0 HD1 HIS A 263 3.659 -0.384 8.819 1.00 15.00 H new ATOM 0 HD2 HIS A 263 0.509 -2.919 7.736 1.00 15.00 H new ATOM 0 HE1 HIS A 263 4.704 -2.624 8.237 1.00 15.00 H new ATOM 462 N ASP A 264 2.441 2.120 6.789 1.00 15.00 N ATOM 463 CA ASP A 264 3.714 2.333 6.115 1.00 15.00 C ATOM 464 C ASP A 264 4.644 1.172 6.454 1.00 15.00 C ATOM 465 O ASP A 264 4.807 0.819 7.615 1.00 15.00 O ATOM 466 CB ASP A 264 4.318 3.673 6.556 1.00 15.00 C ATOM 467 CG ASP A 264 5.557 4.065 5.773 1.00 15.00 C ATOM 468 OD1 ASP A 264 6.536 3.299 5.772 1.00 15.00 O ATOM 469 OD2 ASP A 264 5.558 5.161 5.168 1.00 15.00 O1- ATOM 0 H ASP A 264 2.155 2.887 7.397 1.00 15.00 H new ATOM 0 HA ASP A 264 3.571 2.371 5.035 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.566 4.455 6.447 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.569 3.618 7.615 1.00 15.00 H new ATOM 474 N PRO A 265 5.243 0.537 5.453 1.00 15.00 N ATOM 475 CA PRO A 265 6.050 -0.656 5.673 1.00 15.00 C ATOM 476 C PRO A 265 7.417 -0.353 6.246 1.00 15.00 C ATOM 477 O PRO A 265 8.117 -1.248 6.726 1.00 15.00 O ATOM 478 CB PRO A 265 6.149 -1.274 4.286 1.00 15.00 C ATOM 479 CG PRO A 265 6.052 -0.111 3.355 1.00 15.00 C ATOM 480 CD PRO A 265 5.177 0.910 4.030 1.00 15.00 C ATOM 0 HA PRO A 265 5.601 -1.319 6.413 1.00 15.00 H new ATOM 0 HB2 PRO A 265 7.089 -1.810 4.156 1.00 15.00 H new ATOM 0 HB3 PRO A 265 5.346 -1.991 4.112 1.00 15.00 H new ATOM 0 HG2 PRO A 265 7.039 0.302 3.147 1.00 15.00 H new ATOM 0 HG3 PRO A 265 5.626 -0.415 2.399 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.542 1.923 3.864 1.00 15.00 H new ATOM 0 HD3 PRO A 265 4.155 0.874 3.653 1.00 15.00 H new ATOM 488 N ARG A 266 7.803 0.897 6.181 1.00 15.00 N ATOM 489 CA ARG A 266 9.051 1.328 6.758 1.00 15.00 C ATOM 490 C ARG A 266 8.864 1.524 8.244 1.00 15.00 C ATOM 491 O ARG A 266 9.805 1.794 8.989 1.00 15.00 O ATOM 492 CB ARG A 266 9.476 2.617 6.108 1.00 15.00 C ATOM 493 CG ARG A 266 10.946 2.919 6.301 1.00 15.00 C ATOM 494 CD ARG A 266 11.819 2.022 5.443 1.00 15.00 C ATOM 495 NE ARG A 266 13.191 1.956 5.934 1.00 15.00 N ATOM 496 CZ ARG A 266 14.264 1.922 5.152 1.00 15.00 C ATOM 497 NH1 ARG A 266 14.138 2.051 3.836 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 15.465 1.780 5.691 1.00 15.00 N ATOM 0 H ARG A 266 7.266 1.638 5.731 1.00 15.00 H new ATOM 0 HA ARG A 266 9.824 0.577 6.593 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.257 2.569 5.041 1.00 15.00 H new ATOM 0 HB3 ARG A 266 8.885 3.436 6.518 1.00 15.00 H new ATOM 0 HG2 ARG A 266 11.139 3.962 6.051 1.00 15.00 H new ATOM 0 HG3 ARG A 266 11.210 2.788 7.350 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.394 1.018 5.420 1.00 15.00 H new ATOM 0 HD3 ARG A 266 11.819 2.391 4.417 1.00 15.00 H new ATOM 0 HE ARG A 266 13.336 1.935 6.943 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.214 2.177 3.422 1.00 15.00 H new ATOM 0 HH12 ARG A 266 14.965 2.024 3.239 1.00 15.00 H new ATOM 0 HH21 ARG A 266 15.563 1.697 6.703 1.00 15.00 H new ATOM 0 HH22 ARG A 266 16.292 1.753 5.094 1.00 15.00 H new ATOM 574 N ASP B 211 -3.595 -4.902 -7.582 1.00 15.00 N ATOM 575 CA ASP B 211 -4.629 -5.921 -7.726 1.00 15.00 C ATOM 576 C ASP B 211 -5.666 -5.933 -6.567 1.00 15.00 C ATOM 577 O ASP B 211 -6.707 -6.575 -6.708 1.00 15.00 O ATOM 578 CB ASP B 211 -3.992 -7.309 -7.830 1.00 15.00 C ATOM 579 CG ASP B 211 -3.148 -7.486 -9.074 1.00 15.00 C ATOM 580 OD1 ASP B 211 -3.683 -7.973 -10.093 1.00 15.00 O ATOM 581 OD2 ASP B 211 -1.947 -7.150 -9.035 1.00 15.00 O1- ATOM 0 HA ASP B 211 -5.168 -5.667 -8.639 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -3.372 -7.484 -6.950 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -4.778 -8.064 -7.822 1.00 15.00 H new ATOM 586 N PRO B 212 -5.422 -5.274 -5.392 1.00 15.00 N ATOM 587 CA PRO B 212 -6.266 -5.420 -4.216 1.00 15.00 C ATOM 588 C PRO B 212 -7.320 -4.319 -4.104 1.00 15.00 C ATOM 589 O PRO B 212 -7.184 -3.249 -4.691 1.00 15.00 O ATOM 590 CB PRO B 212 -5.245 -5.271 -3.092 1.00 15.00 C ATOM 591 CG PRO B 212 -4.267 -4.308 -3.593 1.00 15.00 C ATOM 592 CD PRO B 212 -4.371 -4.290 -5.094 1.00 15.00 C ATOM 0 HA PRO B 212 -6.833 -6.351 -4.218 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -5.716 -4.915 -2.176 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -4.774 -6.226 -2.858 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.462 -3.317 -3.184 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.260 -4.588 -3.283 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.636 -3.299 -5.463 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.425 -4.562 -5.563 1.00 15.00 H new ATOM 600 N GLY B 213 -8.358 -4.576 -3.333 1.00 15.00 N ATOM 601 CA GLY B 213 -9.339 -3.550 -3.080 1.00 15.00 C ATOM 602 C GLY B 213 -8.977 -2.732 -1.859 1.00 15.00 C ATOM 603 O GLY B 213 -8.227 -3.193 -0.994 1.00 15.00 O ATOM 0 H GLY B 213 -8.539 -5.472 -2.880 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.417 -2.896 -3.949 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.318 -4.007 -2.937 1.00 15.00 H new ATOM 621 N PRO B 215 -9.608 -0.690 1.721 1.00 15.00 N ATOM 622 CA PRO B 215 -10.361 -0.923 2.962 1.00 15.00 C ATOM 623 C PRO B 215 -11.099 0.317 3.466 1.00 15.00 C ATOM 624 O PRO B 215 -10.646 1.446 3.297 1.00 15.00 O ATOM 625 CB PRO B 215 -9.239 -1.277 3.970 1.00 15.00 C ATOM 626 CG PRO B 215 -7.994 -1.398 3.150 1.00 15.00 C ATOM 627 CD PRO B 215 -8.201 -0.453 2.007 1.00 15.00 C ATOM 0 HA PRO B 215 -11.132 -1.681 2.823 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -9.135 -0.503 4.730 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.458 -2.209 4.491 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -7.110 -1.131 3.730 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.849 -2.419 2.798 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.003 0.582 2.284 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.560 -0.684 1.156 1.00 15.00 H new ATOM 635 N PHE B 216 -12.252 0.088 4.084 1.00 15.00 N ATOM 636 CA PHE B 216 -13.016 1.161 4.707 1.00 15.00 C ATOM 637 C PHE B 216 -12.734 1.194 6.203 1.00 15.00 C ATOM 638 O PHE B 216 -13.252 2.037 6.931 1.00 15.00 O ATOM 639 CB PHE B 216 -14.519 0.955 4.484 1.00 15.00 C ATOM 640 CG PHE B 216 -14.913 0.799 3.044 1.00 15.00 C ATOM 641 CD1 PHE B 216 -15.201 -0.452 2.526 1.00 15.00 C ATOM 642 CD2 PHE B 216 -15.004 1.901 2.212 1.00 15.00 C ATOM 643 CE1 PHE B 216 -15.572 -0.603 1.205 1.00 15.00 C ATOM 644 CE2 PHE B 216 -15.374 1.756 0.889 1.00 15.00 C ATOM 645 CZ PHE B 216 -15.658 0.503 0.385 1.00 15.00 C ATOM 0 H PHE B 216 -12.679 -0.835 4.167 1.00 15.00 H new ATOM 0 HA PHE B 216 -12.715 2.105 4.252 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -14.838 0.070 5.034 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -15.057 1.804 4.906 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -15.135 -1.321 3.164 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -14.784 2.884 2.601 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -15.794 -1.585 0.814 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -15.441 2.623 0.249 1.00 15.00 H new ATOM 0 HZ PHE B 216 -15.947 0.389 -0.649 1.00 15.00 H new