USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=11 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 Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -0.79 X(o=-0.79,f=-0.7) USER MOD Single : A 244 THR OG1 : rot 49:sc= 0.0732 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0.205 USER MOD Single : A 247 GLN : amide:sc= 0.0272 X(o=0.027,f=0.16) USER MOD Single : A 249 GLN :FLIP amide:sc= -1.04 F(o=-3.3,f=-1) USER MOD Single : A 251 TYR OH : rot 180:sc= 0.725 USER MOD Single : A 254 HIS :FLIP no HD1:sc= -1.66 F(o=-5.6!,f=-1.7) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 256 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 44:sc= 0.0498 USER MOD Single : A 261 THR OG1 : rot 180:sc= 0 USER MOD Single : A 263 HIS : no HE2:sc= -0.578 K(o=-0.58,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 236 11.452 4.048 1.864 1.00 15.00 N ATOM 17 CA LEU A 236 10.941 2.696 2.074 1.00 15.00 C ATOM 18 C LEU A 236 11.941 1.672 1.559 1.00 15.00 C ATOM 19 O LEU A 236 12.904 2.024 0.875 1.00 15.00 O ATOM 20 CB LEU A 236 9.596 2.463 1.348 1.00 15.00 C ATOM 21 CG LEU A 236 8.494 3.512 1.540 1.00 15.00 C ATOM 22 CD1 LEU A 236 8.345 3.892 3.004 1.00 15.00 C ATOM 23 CD2 LEU A 236 8.757 4.736 0.676 1.00 15.00 C ATOM 0 HA LEU A 236 10.786 2.581 3.147 1.00 15.00 H new ATOM 0 HB2 LEU A 236 9.800 2.382 0.280 1.00 15.00 H new ATOM 0 HB3 LEU A 236 9.202 1.499 1.671 1.00 15.00 H new ATOM 0 HG LEU A 236 7.550 3.071 1.219 1.00 15.00 H new ATOM 0 HD11 LEU A 236 7.556 4.637 3.108 1.00 15.00 H new ATOM 0 HD12 LEU A 236 8.087 3.007 3.585 1.00 15.00 H new ATOM 0 HD13 LEU A 236 9.285 4.305 3.370 1.00 15.00 H new ATOM 0 HD21 LEU A 236 7.963 5.467 0.829 1.00 15.00 H new ATOM 0 HD22 LEU A 236 9.714 5.178 0.953 1.00 15.00 H new ATOM 0 HD23 LEU A 236 8.783 4.442 -0.373 1.00 15.00 H new ATOM 35 N PRO A 237 11.737 0.394 1.906 1.00 15.00 N ATOM 36 CA PRO A 237 12.419 -0.719 1.248 1.00 15.00 C ATOM 37 C PRO A 237 11.914 -0.897 -0.175 1.00 15.00 C ATOM 38 O PRO A 237 10.845 -0.406 -0.546 1.00 15.00 O ATOM 39 CB PRO A 237 12.070 -1.945 2.105 1.00 15.00 C ATOM 40 CG PRO A 237 11.419 -1.416 3.341 1.00 15.00 C ATOM 41 CD PRO A 237 10.860 -0.063 2.993 1.00 15.00 C ATOM 0 HA PRO A 237 13.494 -0.558 1.172 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.400 -2.617 1.569 1.00 15.00 H new ATOM 0 HB3 PRO A 237 12.965 -2.516 2.350 1.00 15.00 H new ATOM 0 HG2 PRO A 237 10.628 -2.086 3.678 1.00 15.00 H new ATOM 0 HG3 PRO A 237 12.140 -1.339 4.155 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.821 -0.128 2.671 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.888 0.616 3.845 1.00 15.00 H new ATOM 49 N GLU A 238 12.682 -1.632 -0.944 1.00 15.00 N ATOM 50 CA GLU A 238 12.441 -1.789 -2.375 1.00 15.00 C ATOM 51 C GLU A 238 11.187 -2.618 -2.661 1.00 15.00 C ATOM 52 O GLU A 238 11.050 -3.753 -2.195 1.00 15.00 O ATOM 53 CB GLU A 238 13.659 -2.461 -3.019 1.00 15.00 C ATOM 54 CG GLU A 238 13.526 -2.684 -4.517 1.00 15.00 C ATOM 55 CD GLU A 238 13.462 -1.389 -5.296 1.00 15.00 C ATOM 56 OE1 GLU A 238 12.352 -0.990 -5.706 1.00 15.00 O ATOM 57 OE2 GLU A 238 14.525 -0.774 -5.506 1.00 15.00 O1- ATOM 0 H GLU A 238 13.496 -2.143 -0.602 1.00 15.00 H new ATOM 0 HA GLU A 238 12.282 -0.798 -2.799 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.540 -1.848 -2.831 1.00 15.00 H new ATOM 0 HB3 GLU A 238 13.829 -3.422 -2.533 1.00 15.00 H new ATOM 0 HG2 GLU A 238 14.372 -3.274 -4.869 1.00 15.00 H new ATOM 0 HG3 GLU A 238 12.627 -3.267 -4.715 1.00 15.00 H new ATOM 64 N GLY A 239 10.269 -2.039 -3.431 1.00 15.00 N ATOM 65 CA GLY A 239 9.142 -2.799 -3.933 1.00 15.00 C ATOM 66 C GLY A 239 7.780 -2.240 -3.555 1.00 15.00 C ATOM 67 O GLY A 239 6.758 -2.799 -3.951 1.00 15.00 O ATOM 0 H GLY A 239 10.287 -1.059 -3.714 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.210 -2.849 -5.020 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.216 -3.821 -3.561 1.00 15.00 H new ATOM 71 N TYR A 240 7.742 -1.163 -2.785 1.00 15.00 N ATOM 72 CA TYR A 240 6.464 -0.588 -2.364 1.00 15.00 C ATOM 73 C TYR A 240 6.102 0.603 -3.234 1.00 15.00 C ATOM 74 O TYR A 240 6.913 1.510 -3.421 1.00 15.00 O ATOM 75 CB TYR A 240 6.514 -0.110 -0.904 1.00 15.00 C ATOM 76 CG TYR A 240 6.880 -1.176 0.098 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.149 -1.223 0.654 1.00 15.00 C ATOM 78 CD2 TYR A 240 5.960 -2.137 0.482 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.493 -2.200 1.560 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.295 -3.121 1.393 1.00 15.00 C ATOM 81 CZ TYR A 240 7.565 -3.150 1.925 1.00 15.00 C ATOM 82 OH TYR A 240 7.905 -4.130 2.826 1.00 15.00 O ATOM 0 H TYR A 240 8.567 -0.672 -2.440 1.00 15.00 H new ATOM 0 HA TYR A 240 5.716 -1.375 -2.464 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.235 0.704 -0.827 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.540 0.301 -0.637 1.00 15.00 H new ATOM 0 HD1 TYR A 240 8.880 -0.480 0.371 1.00 15.00 H new ATOM 0 HD2 TYR A 240 4.965 -2.117 0.063 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.486 -2.222 1.983 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.566 -3.862 1.686 1.00 15.00 H new ATOM 0 HH TYR A 240 7.136 -4.718 2.975 1.00 15.00 H new ATOM 92 N GLU A 241 4.884 0.617 -3.740 1.00 15.00 N ATOM 93 CA GLU A 241 4.387 1.768 -4.468 1.00 15.00 C ATOM 94 C GLU A 241 3.409 2.542 -3.590 1.00 15.00 C ATOM 95 O GLU A 241 2.602 1.950 -2.868 1.00 15.00 O ATOM 96 CB GLU A 241 3.745 1.337 -5.798 1.00 15.00 C ATOM 97 CG GLU A 241 2.614 0.326 -5.669 1.00 15.00 C ATOM 98 CD GLU A 241 1.245 0.950 -5.854 1.00 15.00 C ATOM 99 OE1 GLU A 241 0.485 1.023 -4.875 1.00 15.00 O ATOM 100 OE2 GLU A 241 0.932 1.378 -6.991 1.00 15.00 O1- ATOM 0 H GLU A 241 4.221 -0.154 -3.661 1.00 15.00 H new ATOM 0 HA GLU A 241 5.219 2.427 -4.716 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.363 2.224 -6.304 1.00 15.00 H new ATOM 0 HB3 GLU A 241 4.519 0.914 -6.438 1.00 15.00 H new ATOM 0 HG2 GLU A 241 2.752 -0.463 -6.409 1.00 15.00 H new ATOM 0 HG3 GLU A 241 2.664 -0.145 -4.687 1.00 15.00 H new ATOM 107 N GLN A 242 3.506 3.861 -3.624 1.00 15.00 N ATOM 108 CA GLN A 242 2.635 4.700 -2.817 1.00 15.00 C ATOM 109 C GLN A 242 1.381 5.033 -3.604 1.00 15.00 C ATOM 110 O GLN A 242 1.406 5.831 -4.546 1.00 15.00 O ATOM 111 CB GLN A 242 3.369 5.973 -2.387 1.00 15.00 C ATOM 112 CG GLN A 242 2.797 6.665 -1.151 1.00 15.00 C ATOM 113 CD GLN A 242 1.462 7.342 -1.386 1.00 15.00 C ATOM 114 OE1 GLN A 242 1.406 8.506 -1.783 1.00 15.00 O ATOM 115 NE2 GLN A 242 0.382 6.633 -1.112 1.00 15.00 N ATOM 0 H GLN A 242 4.176 4.372 -4.199 1.00 15.00 H new ATOM 0 HA GLN A 242 2.348 4.161 -1.914 1.00 15.00 H new ATOM 0 HB2 GLN A 242 4.413 5.725 -2.195 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.357 6.679 -3.218 1.00 15.00 H new ATOM 0 HG2 GLN A 242 2.684 5.929 -0.355 1.00 15.00 H new ATOM 0 HG3 GLN A 242 3.513 7.408 -0.799 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.473 5.671 -0.785 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -0.543 7.047 -1.227 1.00 15.00 H new ATOM 124 N ARG A 243 0.289 4.402 -3.223 1.00 15.00 N ATOM 125 CA ARG A 243 -0.954 4.530 -3.957 1.00 15.00 C ATOM 126 C ARG A 243 -1.944 5.443 -3.243 1.00 15.00 C ATOM 127 O ARG A 243 -2.108 5.389 -2.022 1.00 15.00 O ATOM 128 CB ARG A 243 -1.571 3.157 -4.195 1.00 15.00 C ATOM 129 CG ARG A 243 -2.801 3.213 -5.071 1.00 15.00 C ATOM 130 CD ARG A 243 -3.050 1.896 -5.774 1.00 15.00 C ATOM 131 NE ARG A 243 -4.238 1.971 -6.617 1.00 15.00 N ATOM 132 CZ ARG A 243 -4.213 2.173 -7.928 1.00 15.00 C ATOM 133 NH1 ARG A 243 -3.061 2.231 -8.566 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -5.343 2.267 -8.610 1.00 15.00 N ATOM 0 H ARG A 243 0.237 3.793 -2.406 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.723 4.988 -4.919 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.830 2.506 -4.658 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.833 2.710 -3.236 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.669 3.471 -4.464 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.684 4.004 -5.812 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -2.184 1.635 -6.382 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -3.172 1.103 -5.036 1.00 15.00 H new ATOM 0 HE ARG A 243 -5.148 1.861 -6.169 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -2.187 2.120 -8.052 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -3.043 2.386 -9.574 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -6.238 2.184 -8.128 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -5.319 2.422 -9.618 1.00 15.00 H new ATOM 148 N THR A 244 -2.623 6.249 -4.042 1.00 15.00 N ATOM 149 CA THR A 244 -3.578 7.232 -3.565 1.00 15.00 C ATOM 150 C THR A 244 -4.886 7.111 -4.341 1.00 15.00 C ATOM 151 O THR A 244 -4.979 7.532 -5.494 1.00 15.00 O ATOM 152 CB THR A 244 -3.023 8.666 -3.720 1.00 15.00 C ATOM 153 OG1 THR A 244 -2.360 8.806 -4.985 1.00 15.00 O ATOM 154 CG2 THR A 244 -2.055 9.010 -2.600 1.00 15.00 C ATOM 0 H THR A 244 -2.524 6.237 -5.057 1.00 15.00 H new ATOM 0 HA THR A 244 -3.758 7.039 -2.508 1.00 15.00 H new ATOM 0 HB THR A 244 -3.866 9.355 -3.670 1.00 15.00 H new ATOM 0 HG1 THR A 244 -2.938 8.462 -5.697 1.00 15.00 H new ATOM 0 HG21 THR A 244 -1.683 10.025 -2.739 1.00 15.00 H new ATOM 0 HG22 THR A 244 -2.568 8.940 -1.641 1.00 15.00 H new ATOM 0 HG23 THR A 244 -1.218 8.312 -2.615 1.00 15.00 H new ATOM 162 N THR A 245 -5.881 6.510 -3.718 1.00 15.00 N ATOM 163 CA THR A 245 -7.176 6.326 -4.350 1.00 15.00 C ATOM 164 C THR A 245 -8.091 7.507 -4.068 1.00 15.00 C ATOM 165 O THR A 245 -7.950 8.174 -3.039 1.00 15.00 O ATOM 166 CB THR A 245 -7.853 5.009 -3.908 1.00 15.00 C ATOM 167 OG1 THR A 245 -9.229 4.984 -4.305 1.00 15.00 O ATOM 168 CG2 THR A 245 -7.755 4.804 -2.401 1.00 15.00 C ATOM 0 H THR A 245 -5.818 6.139 -2.770 1.00 15.00 H new ATOM 0 HA THR A 245 -7.000 6.265 -5.424 1.00 15.00 H new ATOM 0 HB THR A 245 -7.321 4.196 -4.402 1.00 15.00 H new ATOM 0 HG1 THR A 245 -9.637 4.141 -4.017 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.242 3.868 -2.129 1.00 15.00 H new ATOM 0 HG22 THR A 245 -6.706 4.766 -2.106 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.246 5.631 -1.889 1.00 15.00 H new ATOM 176 N VAL A 246 -8.997 7.781 -5.007 1.00 15.00 N ATOM 177 CA VAL A 246 -9.999 8.841 -4.864 1.00 15.00 C ATOM 178 C VAL A 246 -10.795 8.662 -3.563 1.00 15.00 C ATOM 179 O VAL A 246 -11.450 9.587 -3.080 1.00 15.00 O ATOM 180 CB VAL A 246 -10.968 8.844 -6.071 1.00 15.00 C ATOM 181 CG1 VAL A 246 -11.866 10.071 -6.054 1.00 15.00 C ATOM 182 CG2 VAL A 246 -10.197 8.771 -7.381 1.00 15.00 C ATOM 0 H VAL A 246 -9.058 7.274 -5.890 1.00 15.00 H new ATOM 0 HA VAL A 246 -9.474 9.796 -4.830 1.00 15.00 H new ATOM 0 HB VAL A 246 -11.601 7.960 -5.989 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -12.535 10.044 -6.914 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -12.455 10.078 -5.137 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -11.253 10.971 -6.099 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -10.897 8.774 -8.216 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -9.533 9.632 -7.461 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -9.607 7.855 -7.406 1.00 15.00 H new ATOM 192 N GLN A 247 -10.723 7.455 -3.009 1.00 15.00 N ATOM 193 CA GLN A 247 -11.274 7.143 -1.693 1.00 15.00 C ATOM 194 C GLN A 247 -10.708 8.083 -0.621 1.00 15.00 C ATOM 195 O GLN A 247 -11.308 8.278 0.435 1.00 15.00 O ATOM 196 CB GLN A 247 -10.939 5.687 -1.357 1.00 15.00 C ATOM 197 CG GLN A 247 -11.394 5.217 0.011 1.00 15.00 C ATOM 198 CD GLN A 247 -12.904 5.190 0.151 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.517 6.159 0.595 1.00 15.00 O ATOM 200 NE2 GLN A 247 -13.515 4.089 -0.248 1.00 15.00 N ATOM 0 H GLN A 247 -10.277 6.659 -3.464 1.00 15.00 H new ATOM 0 HA GLN A 247 -12.355 7.282 -1.712 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.390 5.044 -2.113 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -9.860 5.554 -1.428 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -10.999 4.218 0.197 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -10.975 5.873 0.774 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -12.971 3.306 -0.611 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.531 4.021 -0.194 1.00 15.00 H new ATOM 209 N GLY A 248 -9.534 8.643 -0.891 1.00 15.00 N ATOM 210 CA GLY A 248 -8.939 9.607 0.015 1.00 15.00 C ATOM 211 C GLY A 248 -7.964 8.979 0.986 1.00 15.00 C ATOM 212 O GLY A 248 -7.365 9.672 1.805 1.00 15.00 O ATOM 0 H GLY A 248 -8.982 8.445 -1.725 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -8.424 10.373 -0.565 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.729 10.108 0.574 1.00 15.00 H new ATOM 216 N GLN A 249 -7.794 7.670 0.896 1.00 15.00 N ATOM 217 CA GLN A 249 -6.911 6.958 1.810 1.00 15.00 C ATOM 218 C GLN A 249 -5.737 6.362 1.044 1.00 15.00 C ATOM 219 O GLN A 249 -5.870 5.995 -0.126 1.00 15.00 O ATOM 220 CB GLN A 249 -7.675 5.850 2.541 1.00 15.00 C ATOM 221 CG GLN A 249 -9.094 6.224 2.921 1.00 15.00 C ATOM 222 CD GLN A 249 -9.814 5.139 3.698 1.00 15.00 C ATOM 223 OE1 GLN A 249 -10.499 4.257 2.984 1.00 15.00 O flip ATOM 224 NE2 GLN A 249 -9.763 5.095 4.927 1.00 15.00 N flip ATOM 0 H GLN A 249 -8.253 7.079 0.203 1.00 15.00 H new ATOM 0 HA GLN A 249 -6.533 7.665 2.548 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -7.702 4.963 1.908 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -7.127 5.581 3.444 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -9.074 7.136 3.518 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -9.658 6.448 2.015 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -9.225 5.793 5.440 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -10.259 4.361 5.432 1.00 15.00 H new ATOM 233 N VAL A 250 -4.597 6.256 1.706 1.00 15.00 N ATOM 234 CA VAL A 250 -3.402 5.700 1.088 1.00 15.00 C ATOM 235 C VAL A 250 -3.238 4.229 1.454 1.00 15.00 C ATOM 236 O VAL A 250 -3.412 3.848 2.608 1.00 15.00 O ATOM 237 CB VAL A 250 -2.130 6.478 1.509 1.00 15.00 C ATOM 238 CG1 VAL A 250 -2.173 7.898 0.976 1.00 15.00 C ATOM 239 CG2 VAL A 250 -1.963 6.486 3.024 1.00 15.00 C ATOM 0 H VAL A 250 -4.472 6.549 2.675 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.526 5.793 0.009 1.00 15.00 H new ATOM 0 HB VAL A 250 -1.269 5.967 1.077 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -1.271 8.429 1.282 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -2.230 7.877 -0.112 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -3.049 8.410 1.375 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -1.062 7.039 3.288 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.829 6.963 3.483 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.879 5.461 3.386 1.00 15.00 H new ATOM 249 N TYR A 251 -2.922 3.400 0.470 1.00 15.00 N ATOM 250 CA TYR A 251 -2.638 2.001 0.743 1.00 15.00 C ATOM 251 C TYR A 251 -1.343 1.580 0.055 1.00 15.00 C ATOM 252 O TYR A 251 -1.177 1.758 -1.152 1.00 15.00 O ATOM 253 CB TYR A 251 -3.839 1.084 0.391 1.00 15.00 C ATOM 254 CG TYR A 251 -4.368 1.097 -1.041 1.00 15.00 C ATOM 255 CD1 TYR A 251 -5.309 2.031 -1.458 1.00 15.00 C ATOM 256 CD2 TYR A 251 -3.993 0.108 -1.952 1.00 15.00 C ATOM 257 CE1 TYR A 251 -5.850 1.974 -2.726 1.00 15.00 C ATOM 258 CE2 TYR A 251 -4.515 0.056 -3.215 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.451 0.989 -3.602 1.00 15.00 C ATOM 260 OH TYR A 251 -5.997 0.936 -4.863 1.00 15.00 O ATOM 0 H TYR A 251 -2.856 3.668 -0.512 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.488 1.883 1.816 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.555 0.059 0.631 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.664 1.349 1.052 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -5.621 2.812 -0.780 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -3.271 -0.637 -1.651 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -6.587 2.702 -3.032 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -4.195 -0.712 -3.904 1.00 15.00 H new ATOM 0 HH TYR A 251 -5.609 0.184 -5.356 1.00 15.00 H new ATOM 270 N PHE A 252 -0.419 1.038 0.851 1.00 15.00 N ATOM 271 CA PHE A 252 0.926 0.709 0.382 1.00 15.00 C ATOM 272 C PHE A 252 0.992 -0.695 -0.161 1.00 15.00 C ATOM 273 O PHE A 252 0.854 -1.666 0.591 1.00 15.00 O ATOM 274 CB PHE A 252 1.947 0.835 1.512 1.00 15.00 C ATOM 275 CG PHE A 252 2.389 2.250 1.764 1.00 15.00 C ATOM 276 CD1 PHE A 252 2.076 2.896 2.953 1.00 15.00 C ATOM 277 CD2 PHE A 252 3.103 2.943 0.800 1.00 15.00 C ATOM 278 CE1 PHE A 252 2.468 4.202 3.171 1.00 15.00 C ATOM 279 CE2 PHE A 252 3.500 4.247 1.017 1.00 15.00 C ATOM 280 CZ PHE A 252 3.181 4.878 2.202 1.00 15.00 C ATOM 0 H PHE A 252 -0.582 0.816 1.833 1.00 15.00 H new ATOM 0 HA PHE A 252 1.162 1.417 -0.412 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.517 0.428 2.427 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.819 0.227 1.273 1.00 15.00 H new ATOM 0 HD1 PHE A 252 1.520 2.371 3.716 1.00 15.00 H new ATOM 0 HD2 PHE A 252 3.352 2.457 -0.132 1.00 15.00 H new ATOM 0 HE1 PHE A 252 2.217 4.694 4.099 1.00 15.00 H new ATOM 0 HE2 PHE A 252 4.061 4.774 0.259 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.489 5.899 2.371 1.00 15.00 H new ATOM 290 N LEU A 253 1.198 -0.803 -1.464 1.00 15.00 N ATOM 291 CA LEU A 253 1.272 -2.100 -2.106 1.00 15.00 C ATOM 292 C LEU A 253 2.658 -2.481 -2.579 1.00 15.00 C ATOM 293 O LEU A 253 3.386 -1.712 -3.208 1.00 15.00 O ATOM 294 CB LEU A 253 0.231 -2.253 -3.223 1.00 15.00 C ATOM 295 CG LEU A 253 -1.097 -2.843 -2.749 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.055 -4.347 -2.924 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.332 -2.477 -1.293 1.00 15.00 C ATOM 0 H LEU A 253 1.316 -0.009 -2.094 1.00 15.00 H new ATOM 0 HA LEU A 253 1.027 -2.815 -1.320 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.045 -1.277 -3.671 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.642 -2.890 -4.006 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.919 -2.437 -3.339 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -1.998 -4.779 -2.589 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -0.900 -4.587 -3.976 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.237 -4.759 -2.333 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.280 -2.900 -0.960 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.522 -2.876 -0.682 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.363 -1.392 -1.191 1.00 15.00 H new ATOM 309 N HIS A 254 2.979 -3.714 -2.258 1.00 15.00 N ATOM 310 CA HIS A 254 4.213 -4.362 -2.657 1.00 15.00 C ATOM 311 C HIS A 254 3.876 -5.761 -3.070 1.00 15.00 C ATOM 312 O HIS A 254 3.696 -6.627 -2.209 1.00 15.00 O ATOM 313 CB HIS A 254 5.226 -4.417 -1.497 1.00 15.00 C ATOM 314 CG HIS A 254 6.362 -5.402 -1.678 1.00 15.00 C ATOM 315 ND1 HIS A 254 7.495 -5.335 -2.419 1.00 15.00 N flip ATOM 316 CD2 HIS A 254 6.395 -6.641 -1.059 1.00 15.00 C flip ATOM 317 CE1 HIS A 254 8.176 -6.515 -2.242 1.00 15.00 C flip ATOM 318 NE2 HIS A 254 7.490 -7.288 -1.421 1.00 15.00 N flip ATOM 0 H HIS A 254 2.373 -4.312 -1.696 1.00 15.00 H new ATOM 0 HA HIS A 254 4.666 -3.796 -3.471 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.648 -3.422 -1.357 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.691 -4.668 -0.581 1.00 15.00 H new ATOM 0 HD2 HIS A 254 5.642 -7.020 -0.384 1.00 15.00 H new ATOM 0 HE1 HIS A 254 9.120 -6.769 -2.701 1.00 15.00 H new ATOM 0 HE2 HIS A 254 7.759 -8.224 -1.118 1.00 15.00 H new ATOM 327 N THR A 255 3.727 -6.021 -4.342 1.00 15.00 N ATOM 328 CA THR A 255 3.443 -7.385 -4.677 1.00 15.00 C ATOM 329 C THR A 255 4.706 -8.113 -5.088 1.00 15.00 C ATOM 330 O THR A 255 5.094 -8.157 -6.252 1.00 15.00 O ATOM 331 CB THR A 255 2.388 -7.472 -5.795 1.00 15.00 C ATOM 332 OG1 THR A 255 2.565 -6.383 -6.714 1.00 15.00 O ATOM 333 CG2 THR A 255 0.982 -7.430 -5.215 1.00 15.00 C ATOM 0 H THR A 255 3.792 -5.357 -5.114 1.00 15.00 H new ATOM 0 HA THR A 255 3.039 -7.868 -3.787 1.00 15.00 H new ATOM 0 HB THR A 255 2.518 -8.418 -6.320 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.893 -6.442 -7.425 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.253 -7.493 -6.023 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.844 -8.271 -4.535 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.841 -6.496 -4.671 1.00 15.00 H new ATOM 341 N GLN A 256 5.361 -8.644 -4.072 1.00 15.00 N ATOM 342 CA GLN A 256 6.130 -9.858 -4.149 1.00 15.00 C ATOM 343 C GLN A 256 5.268 -10.941 -3.540 1.00 15.00 C ATOM 344 O GLN A 256 4.989 -11.978 -4.131 1.00 15.00 O ATOM 345 CB GLN A 256 7.443 -9.717 -3.383 1.00 15.00 C ATOM 346 CG GLN A 256 8.378 -10.898 -3.532 1.00 15.00 C ATOM 347 CD GLN A 256 9.640 -10.742 -2.711 1.00 15.00 C ATOM 348 OE1 GLN A 256 9.698 -11.158 -1.556 1.00 15.00 O ATOM 349 NE2 GLN A 256 10.653 -10.128 -3.302 1.00 15.00 N ATOM 0 H GLN A 256 5.368 -8.223 -3.143 1.00 15.00 H new ATOM 0 HA GLN A 256 6.393 -10.095 -5.180 1.00 15.00 H new ATOM 0 HB2 GLN A 256 7.955 -8.817 -3.724 1.00 15.00 H new ATOM 0 HB3 GLN A 256 7.220 -9.575 -2.325 1.00 15.00 H new ATOM 0 HG2 GLN A 256 7.861 -11.808 -3.229 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.644 -11.017 -4.582 1.00 15.00 H new ATOM 0 HE21 GLN A 256 10.560 -9.799 -4.263 1.00 15.00 H new ATOM 0 HE22 GLN A 256 11.527 -9.984 -2.796 1.00 15.00 H new ATOM 358 N THR A 257 4.849 -10.629 -2.310 1.00 15.00 N ATOM 359 CA THR A 257 4.061 -11.514 -1.483 1.00 15.00 C ATOM 360 C THR A 257 2.718 -10.916 -1.167 1.00 15.00 C ATOM 361 O THR A 257 2.046 -11.240 -0.184 1.00 15.00 O ATOM 362 CB THR A 257 4.776 -11.773 -0.180 1.00 15.00 C ATOM 363 OG1 THR A 257 5.153 -10.516 0.410 1.00 15.00 O ATOM 364 CG2 THR A 257 6.015 -12.631 -0.371 1.00 15.00 C ATOM 0 H THR A 257 5.058 -9.736 -1.864 1.00 15.00 H new ATOM 0 HA THR A 257 3.921 -12.442 -2.038 1.00 15.00 H new ATOM 0 HB THR A 257 4.094 -12.316 0.474 1.00 15.00 H new ATOM 0 HG1 THR A 257 5.617 -10.679 1.258 1.00 15.00 H new ATOM 0 HG21 THR A 257 6.498 -12.792 0.593 1.00 15.00 H new ATOM 0 HG22 THR A 257 5.730 -13.592 -0.799 1.00 15.00 H new ATOM 0 HG23 THR A 257 6.707 -12.125 -1.044 1.00 15.00 H new ATOM 372 N GLY A 258 2.360 -10.085 -2.063 1.00 15.00 N ATOM 373 CA GLY A 258 1.134 -9.309 -1.992 1.00 15.00 C ATOM 374 C GLY A 258 0.964 -8.550 -0.683 1.00 15.00 C ATOM 375 O GLY A 258 0.190 -8.969 0.181 1.00 15.00 O ATOM 0 H GLY A 258 2.910 -9.901 -2.902 1.00 15.00 H new ATOM 0 HA2 GLY A 258 1.116 -8.599 -2.818 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.283 -9.977 -2.127 1.00 15.00 H new ATOM 379 N VAL A 259 1.683 -7.441 -0.526 1.00 15.00 N ATOM 380 CA VAL A 259 1.450 -6.557 0.622 1.00 15.00 C ATOM 381 C VAL A 259 0.418 -5.510 0.296 1.00 15.00 C ATOM 382 O VAL A 259 0.634 -4.664 -0.559 1.00 15.00 O ATOM 383 CB VAL A 259 2.719 -5.830 1.148 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.342 -4.719 2.122 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.603 -6.828 1.848 1.00 15.00 C ATOM 0 H VAL A 259 2.418 -7.134 -1.163 1.00 15.00 H new ATOM 0 HA VAL A 259 1.104 -7.226 1.410 1.00 15.00 H new ATOM 0 HB VAL A 259 3.245 -5.386 0.303 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.246 -4.224 2.477 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.705 -3.993 1.617 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.805 -5.145 2.969 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.496 -6.325 2.220 1.00 15.00 H new ATOM 0 HG22 VAL A 259 3.061 -7.271 2.684 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.893 -7.611 1.148 1.00 15.00 H new ATOM 395 N SER A 260 -0.691 -5.596 0.998 1.00 15.00 N ATOM 396 CA SER A 260 -1.735 -4.580 0.940 1.00 15.00 C ATOM 397 C SER A 260 -2.006 -4.069 2.342 1.00 15.00 C ATOM 398 O SER A 260 -2.634 -4.749 3.158 1.00 15.00 O ATOM 399 CB SER A 260 -3.024 -5.100 0.279 1.00 15.00 C ATOM 400 OG SER A 260 -3.374 -6.389 0.764 1.00 15.00 O ATOM 0 H SER A 260 -0.900 -6.371 1.628 1.00 15.00 H new ATOM 0 HA SER A 260 -1.383 -3.761 0.313 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.840 -4.403 0.472 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.889 -5.141 -0.802 1.00 15.00 H new ATOM 0 HG SER A 260 -3.267 -6.412 1.738 1.00 15.00 H new ATOM 406 N THR A 261 -1.497 -2.884 2.637 1.00 15.00 N ATOM 407 CA THR A 261 -1.500 -2.393 4.004 1.00 15.00 C ATOM 408 C THR A 261 -1.871 -0.920 4.103 1.00 15.00 C ATOM 409 O THR A 261 -1.622 -0.140 3.180 1.00 15.00 O ATOM 410 CB THR A 261 -0.129 -2.613 4.675 1.00 15.00 C ATOM 411 OG1 THR A 261 0.928 -2.201 3.800 1.00 15.00 O ATOM 412 CG2 THR A 261 0.070 -4.069 5.064 1.00 15.00 C ATOM 0 H THR A 261 -1.080 -2.250 1.955 1.00 15.00 H new ATOM 0 HA THR A 261 -2.265 -2.969 4.525 1.00 15.00 H new ATOM 0 HB THR A 261 -0.106 -2.008 5.581 1.00 15.00 H new ATOM 0 HG1 THR A 261 1.792 -2.345 4.240 1.00 15.00 H new ATOM 0 HG21 THR A 261 1.046 -4.190 5.534 1.00 15.00 H new ATOM 0 HG22 THR A 261 -0.710 -4.368 5.764 1.00 15.00 H new ATOM 0 HG23 THR A 261 0.017 -4.694 4.173 1.00 15.00 H new ATOM 420 N TRP A 262 -2.482 -0.563 5.226 1.00 15.00 N ATOM 421 CA TRP A 262 -2.773 0.828 5.546 1.00 15.00 C ATOM 422 C TRP A 262 -1.523 1.523 6.061 1.00 15.00 C ATOM 423 O TRP A 262 -1.379 2.740 5.950 1.00 15.00 O ATOM 424 CB TRP A 262 -3.838 0.934 6.637 1.00 15.00 C ATOM 425 CG TRP A 262 -5.252 0.735 6.192 1.00 15.00 C ATOM 426 CD1 TRP A 262 -6.127 -0.212 6.647 1.00 15.00 C ATOM 427 CD2 TRP A 262 -5.970 1.511 5.227 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.344 -0.051 6.052 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.275 0.994 5.178 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.650 2.595 4.403 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -8.248 1.530 4.355 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.636 3.104 3.574 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.917 2.561 3.574 1.00 15.00 C ATOM 0 H TRP A 262 -2.788 -1.227 5.937 1.00 15.00 H new ATOM 0 HA TRP A 262 -3.131 1.299 4.630 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.614 0.198 7.409 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.759 1.917 7.101 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -5.889 -0.976 7.372 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -8.171 -0.620 6.232 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.659 3.024 4.413 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.249 1.125 4.344 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -6.408 3.932 2.920 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.666 2.986 2.923 1.00 15.00 H new ATOM 444 N HIS A 263 -0.649 0.747 6.683 1.00 15.00 N ATOM 445 CA HIS A 263 0.514 1.307 7.345 1.00 15.00 C ATOM 446 C HIS A 263 1.677 1.429 6.379 1.00 15.00 C ATOM 447 O HIS A 263 1.892 0.550 5.544 1.00 15.00 O ATOM 448 CB HIS A 263 0.915 0.449 8.564 1.00 15.00 C ATOM 449 CG HIS A 263 1.799 -0.739 8.264 1.00 15.00 C ATOM 450 ND1 HIS A 263 3.163 -0.728 8.477 1.00 15.00 N ATOM 451 CD2 HIS A 263 1.510 -1.979 7.787 1.00 15.00 C ATOM 452 CE1 HIS A 263 3.670 -1.902 8.147 1.00 15.00 C ATOM 453 NE2 HIS A 263 2.689 -2.677 7.726 1.00 15.00 N ATOM 0 H HIS A 263 -0.724 -0.269 6.742 1.00 15.00 H new ATOM 0 HA HIS A 263 0.253 2.305 7.697 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.428 1.088 9.283 1.00 15.00 H new ATOM 0 HB3 HIS A 263 0.007 0.090 9.048 1.00 15.00 H new ATOM 0 HD1 HIS A 263 3.697 0.064 8.834 1.00 15.00 H new ATOM 0 HD2 HIS A 263 0.533 -2.346 7.508 1.00 15.00 H new ATOM 0 HE1 HIS A 263 4.712 -2.180 8.211 1.00 15.00 H new ATOM 462 N ASP A 264 2.421 2.517 6.502 1.00 15.00 N ATOM 463 CA ASP A 264 3.666 2.669 5.772 1.00 15.00 C ATOM 464 C ASP A 264 4.566 1.484 6.099 1.00 15.00 C ATOM 465 O ASP A 264 4.734 1.130 7.258 1.00 15.00 O ATOM 466 CB ASP A 264 4.337 3.988 6.155 1.00 15.00 C ATOM 467 CG ASP A 264 5.629 4.234 5.409 1.00 15.00 C ATOM 468 OD1 ASP A 264 6.636 3.568 5.720 1.00 15.00 O ATOM 469 OD2 ASP A 264 5.651 5.119 4.531 1.00 15.00 O1- ATOM 0 H ASP A 264 2.183 3.307 7.101 1.00 15.00 H new ATOM 0 HA ASP A 264 3.476 2.691 4.699 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.648 4.810 5.958 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.537 3.989 7.226 1.00 15.00 H new ATOM 474 N PRO A 265 5.141 0.838 5.096 1.00 15.00 N ATOM 475 CA PRO A 265 5.882 -0.403 5.298 1.00 15.00 C ATOM 476 C PRO A 265 7.208 -0.219 5.984 1.00 15.00 C ATOM 477 O PRO A 265 7.838 -1.186 6.416 1.00 15.00 O ATOM 478 CB PRO A 265 6.080 -0.933 3.892 1.00 15.00 C ATOM 479 CG PRO A 265 6.066 0.285 3.033 1.00 15.00 C ATOM 480 CD PRO A 265 5.116 1.247 3.685 1.00 15.00 C ATOM 0 HA PRO A 265 5.336 -1.077 5.958 1.00 15.00 H new ATOM 0 HB2 PRO A 265 7.022 -1.474 3.800 1.00 15.00 H new ATOM 0 HB3 PRO A 265 5.286 -1.626 3.613 1.00 15.00 H new ATOM 0 HG2 PRO A 265 7.064 0.717 2.954 1.00 15.00 H new ATOM 0 HG3 PRO A 265 5.742 0.044 2.021 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.440 2.280 3.559 1.00 15.00 H new ATOM 0 HD3 PRO A 265 4.114 1.173 3.262 1.00 15.00 H new ATOM 488 N ARG A 266 7.655 1.002 6.040 1.00 15.00 N ATOM 489 CA ARG A 266 8.881 1.307 6.713 1.00 15.00 C ATOM 490 C ARG A 266 8.601 1.521 8.178 1.00 15.00 C ATOM 491 O ARG A 266 9.500 1.737 8.992 1.00 15.00 O ATOM 492 CB ARG A 266 9.479 2.535 6.102 1.00 15.00 C ATOM 493 CG ARG A 266 10.945 2.666 6.402 1.00 15.00 C ATOM 494 CD ARG A 266 11.713 1.451 5.911 1.00 15.00 C ATOM 495 NE ARG A 266 11.701 0.357 6.882 1.00 15.00 N ATOM 496 CZ ARG A 266 12.494 -0.710 6.812 1.00 15.00 C ATOM 497 NH1 ARG A 266 13.435 -0.782 5.881 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 12.366 -1.695 7.690 1.00 15.00 N ATOM 0 H ARG A 266 7.185 1.806 5.625 1.00 15.00 H new ATOM 0 HA ARG A 266 9.587 0.483 6.610 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.332 2.509 5.022 1.00 15.00 H new ATOM 0 HB3 ARG A 266 8.954 3.415 6.474 1.00 15.00 H new ATOM 0 HG2 ARG A 266 11.338 3.565 5.927 1.00 15.00 H new ATOM 0 HG3 ARG A 266 11.091 2.783 7.476 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.280 1.105 4.972 1.00 15.00 H new ATOM 0 HD3 ARG A 266 12.744 1.736 5.701 1.00 15.00 H new ATOM 0 HE ARG A 266 11.045 0.415 7.661 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.553 -0.018 5.215 1.00 15.00 H new ATOM 0 HH12 ARG A 266 14.041 -1.601 5.830 1.00 15.00 H new ATOM 0 HH21 ARG A 266 11.658 -1.637 8.422 1.00 15.00 H new ATOM 0 HH22 ARG A 266 12.975 -2.511 7.633 1.00 15.00 H new ATOM 574 N ASP B 211 -3.305 -4.866 -7.333 1.00 15.00 N ATOM 575 CA ASP B 211 -4.257 -5.947 -7.582 1.00 15.00 C ATOM 576 C ASP B 211 -5.365 -6.072 -6.503 1.00 15.00 C ATOM 577 O ASP B 211 -6.389 -6.705 -6.770 1.00 15.00 O ATOM 578 CB ASP B 211 -3.533 -7.290 -7.702 1.00 15.00 C ATOM 579 CG ASP B 211 -3.082 -7.592 -9.113 1.00 15.00 C ATOM 580 OD1 ASP B 211 -1.860 -7.551 -9.377 1.00 15.00 O ATOM 581 OD2 ASP B 211 -3.949 -7.885 -9.964 1.00 15.00 O1- ATOM 0 HA ASP B 211 -4.746 -5.686 -8.521 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -2.666 -7.290 -7.041 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -4.195 -8.086 -7.359 1.00 15.00 H new ATOM 586 N PRO B 212 -5.208 -5.515 -5.269 1.00 15.00 N ATOM 587 CA PRO B 212 -6.157 -5.713 -4.186 1.00 15.00 C ATOM 588 C PRO B 212 -7.177 -4.584 -4.100 1.00 15.00 C ATOM 589 O PRO B 212 -6.948 -3.480 -4.600 1.00 15.00 O ATOM 590 CB PRO B 212 -5.238 -5.697 -2.976 1.00 15.00 C ATOM 591 CG PRO B 212 -4.245 -4.696 -3.288 1.00 15.00 C ATOM 592 CD PRO B 212 -4.133 -4.624 -4.791 1.00 15.00 C ATOM 0 HA PRO B 212 -6.756 -6.617 -4.296 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -5.784 -5.445 -2.067 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -4.780 -6.673 -2.813 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.534 -3.728 -2.878 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.284 -4.957 -2.844 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.268 -3.605 -5.153 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.154 -4.958 -5.135 1.00 15.00 H new ATOM 600 N GLY B 213 -8.288 -4.844 -3.443 1.00 15.00 N ATOM 601 CA GLY B 213 -9.301 -3.829 -3.315 1.00 15.00 C ATOM 602 C GLY B 213 -9.069 -2.989 -2.083 1.00 15.00 C ATOM 603 O GLY B 213 -8.416 -3.429 -1.135 1.00 15.00 O ATOM 0 H GLY B 213 -8.507 -5.735 -2.998 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.298 -3.193 -4.200 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.285 -4.296 -3.262 1.00 15.00 H new ATOM 621 N PRO B 215 -9.727 -0.839 1.336 1.00 15.00 N ATOM 622 CA PRO B 215 -10.458 -1.126 2.578 1.00 15.00 C ATOM 623 C PRO B 215 -11.195 0.088 3.152 1.00 15.00 C ATOM 624 O PRO B 215 -10.777 1.232 2.982 1.00 15.00 O ATOM 625 CB PRO B 215 -9.311 -1.527 3.544 1.00 15.00 C ATOM 626 CG PRO B 215 -8.073 -1.561 2.708 1.00 15.00 C ATOM 627 CD PRO B 215 -8.322 -0.568 1.618 1.00 15.00 C ATOM 0 HA PRO B 215 -11.234 -1.875 2.422 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -9.215 -0.808 4.358 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.503 -2.499 3.999 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -7.193 -1.294 3.293 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.896 -2.557 2.303 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.154 0.458 1.944 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.684 -0.735 0.750 1.00 15.00 H new ATOM 635 N PHE B 216 -12.302 -0.181 3.838 1.00 15.00 N ATOM 636 CA PHE B 216 -13.053 0.861 4.532 1.00 15.00 C ATOM 637 C PHE B 216 -12.685 0.870 6.009 1.00 15.00 C ATOM 638 O PHE B 216 -13.079 1.771 6.749 1.00 15.00 O ATOM 639 CB PHE B 216 -14.563 0.640 4.394 1.00 15.00 C ATOM 640 CG PHE B 216 -15.089 0.774 2.994 1.00 15.00 C ATOM 641 CD1 PHE B 216 -15.379 -0.349 2.238 1.00 15.00 C ATOM 642 CD2 PHE B 216 -15.307 2.024 2.439 1.00 15.00 C ATOM 643 CE1 PHE B 216 -15.877 -0.229 0.954 1.00 15.00 C ATOM 644 CE2 PHE B 216 -15.802 2.153 1.157 1.00 15.00 C ATOM 645 CZ PHE B 216 -16.088 1.024 0.412 1.00 15.00 C ATOM 0 H PHE B 216 -12.700 -1.116 3.928 1.00 15.00 H new ATOM 0 HA PHE B 216 -12.796 1.818 4.077 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -14.807 -0.355 4.766 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -15.081 1.355 5.033 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -15.214 -1.331 2.657 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -15.087 2.909 3.017 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -16.101 -1.113 0.376 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -15.966 3.134 0.737 1.00 15.00 H new ATOM 0 HZ PHE B 216 -16.475 1.121 -0.591 1.00 15.00 H new