USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 307 hydrogens (4 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 NoAdj-H: B 214 SEP H2 : B 214 SEP N : B 213 GLY C :(H bumps) USER MOD Set 1.1: A 261 THR OG1 : rot 110:sc= -0.0703 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -0.741 X(o=-0.81,f=-0.85) USER MOD Set 2.1: A 254 HIS :FLIP no HE2:sc= -1.55! F(o=-2.2,f=-1.6!) USER MOD Set 2.2: A 256 GLN : amide:sc= 0 K(o=-1.6,f=-2.2) USER MOD Set 3.1: A 247 GLN : amide:sc= -4.69! C(o=-5.3!,f=-11!) USER MOD Set 3.2: A 249 GLN :FLIP amide:sc= -0.633 F(o=-9.8!,f=-5.3) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -0.71 K(o=-0.71,f=-1.2) USER MOD Single : A 244 THR OG1 : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot -130:sc= 1.28 USER MOD Single : A 251 TYR OH : rot 78:sc= 0.173 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : B 210 SER OG : rot 34:sc= 0.225 USER MOD Single : B 217 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -11.081 5.526 -4.957 1.00 15.00 N ATOM 2 CA GLU A 235 -11.061 5.814 -3.505 1.00 15.00 C ATOM 3 C GLU A 235 -10.923 4.518 -2.724 1.00 15.00 C ATOM 4 O GLU A 235 -11.351 3.461 -3.185 1.00 15.00 O ATOM 5 CB GLU A 235 -12.343 6.554 -3.085 1.00 15.00 C ATOM 6 CG GLU A 235 -13.590 5.679 -2.976 1.00 15.00 C ATOM 7 CD GLU A 235 -13.940 4.964 -4.263 1.00 15.00 C ATOM 8 OE1 GLU A 235 -13.846 5.586 -5.335 1.00 15.00 O1- ATOM 9 OE2 GLU A 235 -14.295 3.770 -4.205 1.00 15.00 O ATOM 0 HA GLU A 235 -10.207 6.454 -3.286 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -12.169 7.033 -2.121 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -12.538 7.349 -3.805 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -13.438 4.940 -2.189 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -14.434 6.299 -2.673 1.00 15.00 H new ATOM 18 N LEU A 236 -10.330 4.599 -1.547 1.00 15.00 N ATOM 19 CA LEU A 236 -10.138 3.425 -0.712 1.00 15.00 C ATOM 20 C LEU A 236 -10.955 3.561 0.561 1.00 15.00 C ATOM 21 O LEU A 236 -11.470 4.637 0.867 1.00 15.00 O ATOM 22 CB LEU A 236 -8.655 3.233 -0.323 1.00 15.00 C ATOM 23 CG LEU A 236 -7.626 3.233 -1.461 1.00 15.00 C ATOM 24 CD1 LEU A 236 -8.089 2.350 -2.601 1.00 15.00 C ATOM 25 CD2 LEU A 236 -7.339 4.644 -1.949 1.00 15.00 C ATOM 0 H LEU A 236 -9.972 5.466 -1.146 1.00 15.00 H new ATOM 0 HA LEU A 236 -10.462 2.559 -1.289 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.384 4.023 0.377 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.566 2.288 0.213 1.00 15.00 H new ATOM 0 HG LEU A 236 -6.695 2.825 -1.068 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -7.345 2.364 -3.397 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -8.217 1.329 -2.242 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -9.039 2.721 -2.986 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -6.606 4.608 -2.755 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -8.260 5.097 -2.316 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -6.945 5.240 -1.126 1.00 15.00 H new ATOM 37 N PRO A 237 -11.085 2.470 1.320 1.00 15.00 N ATOM 38 CA PRO A 237 -11.559 2.544 2.698 1.00 15.00 C ATOM 39 C PRO A 237 -10.516 3.210 3.573 1.00 15.00 C ATOM 40 O PRO A 237 -9.352 3.350 3.197 1.00 15.00 O ATOM 41 CB PRO A 237 -11.762 1.077 3.105 1.00 15.00 C ATOM 42 CG PRO A 237 -11.708 0.294 1.832 1.00 15.00 C ATOM 43 CD PRO A 237 -10.852 1.084 0.887 1.00 15.00 C ATOM 0 HA PRO A 237 -12.471 3.131 2.804 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -10.986 0.752 3.798 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.718 0.939 3.609 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.286 -0.697 2.003 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.708 0.149 1.422 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.801 0.807 0.965 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -11.146 0.929 -0.151 1.00 15.00 H new ATOM 51 N GLU A 238 -10.945 3.608 4.737 1.00 15.00 N ATOM 52 CA GLU A 238 -10.119 4.415 5.622 1.00 15.00 C ATOM 53 C GLU A 238 -8.949 3.605 6.185 1.00 15.00 C ATOM 54 O GLU A 238 -9.120 2.472 6.645 1.00 15.00 O ATOM 55 CB GLU A 238 -10.978 4.962 6.766 1.00 15.00 C ATOM 56 CG GLU A 238 -10.782 6.448 7.031 1.00 15.00 C ATOM 57 CD GLU A 238 -9.367 6.788 7.438 1.00 15.00 C ATOM 58 OE1 GLU A 238 -8.535 7.066 6.549 1.00 15.00 O ATOM 59 OE2 GLU A 238 -9.072 6.779 8.648 1.00 15.00 O1- ATOM 0 H GLU A 238 -11.870 3.390 5.108 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.705 5.242 5.046 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -12.028 4.779 6.538 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -10.749 4.408 7.676 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.042 7.010 6.134 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -11.468 6.766 7.816 1.00 15.00 H new ATOM 66 N GLY A 239 -7.770 4.222 6.180 1.00 15.00 N ATOM 67 CA GLY A 239 -6.579 3.582 6.708 1.00 15.00 C ATOM 68 C GLY A 239 -5.663 2.990 5.648 1.00 15.00 C ATOM 69 O GLY A 239 -4.858 2.116 5.956 1.00 15.00 O ATOM 0 H GLY A 239 -7.619 5.163 5.816 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.017 4.312 7.291 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -6.880 2.790 7.394 1.00 15.00 H new ATOM 73 N TYR A 240 -5.754 3.453 4.409 1.00 15.00 N ATOM 74 CA TYR A 240 -4.826 2.989 3.379 1.00 15.00 C ATOM 75 C TYR A 240 -3.902 4.112 2.940 1.00 15.00 C ATOM 76 O TYR A 240 -4.339 5.105 2.360 1.00 15.00 O ATOM 77 CB TYR A 240 -5.560 2.427 2.149 1.00 15.00 C ATOM 78 CG TYR A 240 -6.290 1.135 2.420 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.587 -0.040 2.601 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.671 1.093 2.529 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.236 -1.224 2.886 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.327 -0.083 2.823 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.606 -1.240 3.002 1.00 15.00 C ATOM 84 OH TYR A 240 -8.248 -2.418 3.306 1.00 15.00 O ATOM 0 H TYR A 240 -6.444 4.135 4.094 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.241 2.185 3.825 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.273 3.170 1.791 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.839 2.266 1.348 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.510 -0.032 2.518 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.243 1.997 2.381 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.670 -2.134 3.017 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.403 -0.096 2.912 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.214 -2.261 3.353 1.00 15.00 H new ATOM 94 N GLU A 241 -2.625 3.946 3.225 1.00 15.00 N ATOM 95 CA GLU A 241 -1.610 4.880 2.785 1.00 15.00 C ATOM 96 C GLU A 241 -0.945 4.341 1.527 1.00 15.00 C ATOM 97 O GLU A 241 -0.369 3.254 1.537 1.00 15.00 O ATOM 98 CB GLU A 241 -0.556 5.083 3.881 1.00 15.00 C ATOM 99 CG GLU A 241 -1.115 5.620 5.190 1.00 15.00 C ATOM 100 CD GLU A 241 -1.750 6.986 5.040 1.00 15.00 C ATOM 101 OE1 GLU A 241 -1.007 7.978 4.871 1.00 15.00 O ATOM 102 OE2 GLU A 241 -2.993 7.079 5.102 1.00 15.00 O1- ATOM 0 H GLU A 241 -2.264 3.161 3.767 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.079 5.841 2.573 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.060 4.132 4.074 1.00 15.00 H new ATOM 0 HB3 GLU A 241 0.206 5.771 3.514 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -1.856 4.921 5.578 1.00 15.00 H new ATOM 0 HG3 GLU A 241 -0.313 5.676 5.926 1.00 15.00 H new ATOM 109 N GLN A 242 -1.040 5.082 0.442 1.00 15.00 N ATOM 110 CA GLN A 242 -0.367 4.701 -0.785 1.00 15.00 C ATOM 111 C GLN A 242 1.016 5.322 -0.774 1.00 15.00 C ATOM 112 O GLN A 242 1.160 6.539 -0.898 1.00 15.00 O ATOM 113 CB GLN A 242 -1.179 5.167 -1.999 1.00 15.00 C ATOM 114 CG GLN A 242 -0.727 4.597 -3.342 1.00 15.00 C ATOM 115 CD GLN A 242 0.515 5.265 -3.901 1.00 15.00 C ATOM 116 OE1 GLN A 242 1.636 4.818 -3.672 1.00 15.00 O ATOM 117 NE2 GLN A 242 0.319 6.347 -4.637 1.00 15.00 N ATOM 0 H GLN A 242 -1.574 5.949 0.384 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.277 3.617 -0.853 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.224 4.899 -1.842 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.134 6.255 -2.050 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.535 3.530 -3.228 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.539 4.699 -4.062 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -0.629 6.686 -4.804 1.00 15.00 H new ATOM 0 HE22 GLN A 242 1.115 6.842 -5.038 1.00 15.00 H new ATOM 126 N ARG A 243 2.030 4.494 -0.577 1.00 15.00 N ATOM 127 CA ARG A 243 3.372 5.007 -0.394 1.00 15.00 C ATOM 128 C ARG A 243 4.191 4.991 -1.646 1.00 15.00 C ATOM 129 O ARG A 243 4.304 3.986 -2.349 1.00 15.00 O ATOM 130 CB ARG A 243 4.122 4.300 0.719 1.00 15.00 C ATOM 131 CG ARG A 243 3.904 4.994 2.031 1.00 15.00 C ATOM 132 CD ARG A 243 4.773 4.437 3.147 1.00 15.00 C ATOM 133 NE ARG A 243 6.105 4.056 2.676 1.00 15.00 N ATOM 134 CZ ARG A 243 7.252 4.572 3.118 1.00 15.00 C ATOM 135 NH1 ARG A 243 7.256 5.546 4.016 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 8.403 4.103 2.660 1.00 15.00 N ATOM 0 H ARG A 243 1.949 3.478 -0.541 1.00 15.00 H new ATOM 0 HA ARG A 243 3.228 6.048 -0.106 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.787 3.265 0.790 1.00 15.00 H new ATOM 0 HB3 ARG A 243 5.187 4.275 0.488 1.00 15.00 H new ATOM 0 HG2 ARG A 243 4.111 6.058 1.912 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.855 4.903 2.314 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.869 5.182 3.936 1.00 15.00 H new ATOM 0 HD3 ARG A 243 4.283 3.568 3.587 1.00 15.00 H new ATOM 0 HE ARG A 243 6.160 3.339 1.952 1.00 15.00 H new ATOM 0 HH11 ARG A 243 6.374 5.910 4.378 1.00 15.00 H new ATOM 0 HH12 ARG A 243 8.141 5.932 4.346 1.00 15.00 H new ATOM 0 HH21 ARG A 243 8.409 3.350 1.972 1.00 15.00 H new ATOM 0 HH22 ARG A 243 9.283 4.495 2.995 1.00 15.00 H new ATOM 150 N THR A 244 4.809 6.121 -1.861 1.00 15.00 N ATOM 151 CA THR A 244 5.695 6.308 -2.983 1.00 15.00 C ATOM 152 C THR A 244 7.133 6.177 -2.507 1.00 15.00 C ATOM 153 O THR A 244 7.759 7.146 -2.082 1.00 15.00 O ATOM 154 CB THR A 244 5.480 7.678 -3.644 1.00 15.00 C ATOM 155 OG1 THR A 244 4.091 8.036 -3.571 1.00 15.00 O ATOM 156 CG2 THR A 244 5.916 7.639 -5.099 1.00 15.00 C ATOM 0 H THR A 244 4.713 6.941 -1.263 1.00 15.00 H new ATOM 0 HA THR A 244 5.479 5.544 -3.730 1.00 15.00 H new ATOM 0 HB THR A 244 6.079 8.419 -3.115 1.00 15.00 H new ATOM 0 HG1 THR A 244 3.956 8.911 -3.992 1.00 15.00 H new ATOM 0 HG21 THR A 244 5.757 8.617 -5.553 1.00 15.00 H new ATOM 0 HG22 THR A 244 6.973 7.380 -5.155 1.00 15.00 H new ATOM 0 HG23 THR A 244 5.331 6.891 -5.634 1.00 15.00 H new ATOM 164 N THR A 245 7.625 4.957 -2.553 1.00 15.00 N ATOM 165 CA THR A 245 8.954 4.626 -2.074 1.00 15.00 C ATOM 166 C THR A 245 9.954 4.648 -3.224 1.00 15.00 C ATOM 167 O THR A 245 9.575 4.441 -4.378 1.00 15.00 O ATOM 168 CB THR A 245 8.976 3.261 -1.356 1.00 15.00 C ATOM 169 OG1 THR A 245 10.303 2.944 -0.907 1.00 15.00 O ATOM 170 CG2 THR A 245 8.461 2.170 -2.272 1.00 15.00 C ATOM 0 H THR A 245 7.111 4.159 -2.927 1.00 15.00 H new ATOM 0 HA THR A 245 9.243 5.383 -1.345 1.00 15.00 H new ATOM 0 HB THR A 245 8.322 3.325 -0.486 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.539 2.039 -1.198 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.484 1.214 -1.748 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.437 2.397 -2.568 1.00 15.00 H new ATOM 0 HG23 THR A 245 9.091 2.113 -3.160 1.00 15.00 H new ATOM 178 N VAL A 246 11.206 4.964 -2.894 1.00 15.00 N ATOM 179 CA VAL A 246 12.300 5.146 -3.863 1.00 15.00 C ATOM 180 C VAL A 246 12.284 4.132 -5.018 1.00 15.00 C ATOM 181 O VAL A 246 12.707 4.459 -6.130 1.00 15.00 O ATOM 182 CB VAL A 246 13.665 5.062 -3.141 1.00 15.00 C ATOM 183 CG1 VAL A 246 14.821 5.278 -4.110 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.728 6.069 -2.002 1.00 15.00 C ATOM 0 H VAL A 246 11.500 5.105 -1.927 1.00 15.00 H new ATOM 0 HA VAL A 246 12.148 6.132 -4.302 1.00 15.00 H new ATOM 0 HB VAL A 246 13.762 4.058 -2.727 1.00 15.00 H new ATOM 0 HG11 VAL A 246 15.766 5.213 -3.570 1.00 15.00 H new ATOM 0 HG12 VAL A 246 14.793 4.513 -4.886 1.00 15.00 H new ATOM 0 HG13 VAL A 246 14.733 6.263 -4.568 1.00 15.00 H new ATOM 0 HG21 VAL A 246 14.695 5.996 -1.505 1.00 15.00 H new ATOM 0 HG22 VAL A 246 13.599 7.076 -2.399 1.00 15.00 H new ATOM 0 HG23 VAL A 246 12.935 5.857 -1.285 1.00 15.00 H new ATOM 194 N GLN A 247 11.798 2.914 -4.765 1.00 15.00 N ATOM 195 CA GLN A 247 11.699 1.884 -5.805 1.00 15.00 C ATOM 196 C GLN A 247 10.869 2.364 -7.009 1.00 15.00 C ATOM 197 O GLN A 247 10.963 1.804 -8.098 1.00 15.00 O ATOM 198 CB GLN A 247 11.077 0.606 -5.238 1.00 15.00 C ATOM 199 CG GLN A 247 9.634 0.780 -4.827 1.00 15.00 C ATOM 200 CD GLN A 247 8.946 -0.524 -4.480 1.00 15.00 C ATOM 201 OE1 GLN A 247 7.735 -0.645 -4.629 1.00 15.00 O ATOM 202 NE2 GLN A 247 9.699 -1.504 -4.017 1.00 15.00 N ATOM 0 H GLN A 247 11.466 2.616 -3.848 1.00 15.00 H new ATOM 0 HA GLN A 247 12.713 1.678 -6.148 1.00 15.00 H new ATOM 0 HB2 GLN A 247 11.143 -0.185 -5.985 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.657 0.279 -4.375 1.00 15.00 H new ATOM 0 HG2 GLN A 247 9.587 1.447 -3.966 1.00 15.00 H new ATOM 0 HG3 GLN A 247 9.089 1.265 -5.637 1.00 15.00 H new ATOM 0 HE21 GLN A 247 10.704 -1.367 -3.906 1.00 15.00 H new ATOM 0 HE22 GLN A 247 9.276 -2.399 -3.770 1.00 15.00 H new ATOM 211 N GLY A 248 10.032 3.375 -6.794 1.00 15.00 N ATOM 212 CA GLY A 248 9.259 3.953 -7.878 1.00 15.00 C ATOM 213 C GLY A 248 8.023 3.144 -8.221 1.00 15.00 C ATOM 214 O GLY A 248 7.657 3.025 -9.390 1.00 15.00 O ATOM 0 H GLY A 248 9.875 3.806 -5.883 1.00 15.00 H new ATOM 0 HA2 GLY A 248 8.960 4.965 -7.604 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.890 4.035 -8.763 1.00 15.00 H new ATOM 218 N GLN A 249 7.378 2.585 -7.205 1.00 15.00 N ATOM 219 CA GLN A 249 6.170 1.789 -7.409 1.00 15.00 C ATOM 220 C GLN A 249 5.122 2.171 -6.370 1.00 15.00 C ATOM 221 O GLN A 249 5.467 2.558 -5.252 1.00 15.00 O ATOM 222 CB GLN A 249 6.487 0.292 -7.299 1.00 15.00 C ATOM 223 CG GLN A 249 7.694 -0.134 -8.107 1.00 15.00 C ATOM 224 CD GLN A 249 7.962 -1.626 -8.082 1.00 15.00 C ATOM 225 OE1 GLN A 249 8.796 -2.061 -7.151 1.00 15.00 O flip ATOM 226 NE2 GLN A 249 7.445 -2.378 -8.909 1.00 15.00 N flip ATOM 0 H GLN A 249 7.669 2.667 -6.231 1.00 15.00 H new ATOM 0 HA GLN A 249 5.783 1.991 -8.408 1.00 15.00 H new ATOM 0 HB2 GLN A 249 6.655 0.041 -6.252 1.00 15.00 H new ATOM 0 HB3 GLN A 249 5.619 -0.280 -7.629 1.00 15.00 H new ATOM 0 HG2 GLN A 249 7.555 0.182 -9.141 1.00 15.00 H new ATOM 0 HG3 GLN A 249 8.573 0.388 -7.729 1.00 15.00 H new ATOM 0 HE21 GLN A 249 6.807 -2.003 -9.611 1.00 15.00 H new ATOM 0 HE22 GLN A 249 7.655 -3.376 -8.892 1.00 15.00 H new ATOM 235 N VAL A 250 3.851 2.049 -6.735 1.00 15.00 N ATOM 236 CA VAL A 250 2.758 2.351 -5.819 1.00 15.00 C ATOM 237 C VAL A 250 2.361 1.109 -5.032 1.00 15.00 C ATOM 238 O VAL A 250 2.119 0.048 -5.605 1.00 15.00 O ATOM 239 CB VAL A 250 1.516 2.902 -6.565 1.00 15.00 C ATOM 240 CG1 VAL A 250 1.779 4.300 -7.098 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.106 1.980 -7.706 1.00 15.00 C ATOM 0 H VAL A 250 3.552 1.742 -7.661 1.00 15.00 H new ATOM 0 HA VAL A 250 3.118 3.120 -5.136 1.00 15.00 H new ATOM 0 HB VAL A 250 0.697 2.949 -5.847 1.00 15.00 H new ATOM 0 HG11 VAL A 250 0.892 4.664 -7.617 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.014 4.967 -6.269 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.620 4.273 -7.791 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.232 2.392 -8.211 1.00 15.00 H new ATOM 0 HG22 VAL A 250 1.928 1.893 -8.416 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.864 0.994 -7.308 1.00 15.00 H new ATOM 251 N TYR A 251 2.308 1.238 -3.718 1.00 15.00 N ATOM 252 CA TYR A 251 1.968 0.106 -2.870 1.00 15.00 C ATOM 253 C TYR A 251 1.032 0.556 -1.756 1.00 15.00 C ATOM 254 O TYR A 251 1.262 1.582 -1.107 1.00 15.00 O ATOM 255 CB TYR A 251 3.268 -0.553 -2.357 1.00 15.00 C ATOM 256 CG TYR A 251 3.970 0.090 -1.176 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.503 -0.057 0.127 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.171 0.753 -1.365 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.207 0.449 1.195 1.00 15.00 C ATOM 260 CE2 TYR A 251 5.890 1.239 -0.297 1.00 15.00 C ATOM 261 CZ TYR A 251 5.403 1.086 0.978 1.00 15.00 C ATOM 262 OH TYR A 251 6.136 1.545 2.043 1.00 15.00 O ATOM 0 H TYR A 251 2.494 2.107 -3.217 1.00 15.00 H new ATOM 0 HA TYR A 251 1.427 -0.654 -3.434 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.037 -1.584 -2.088 1.00 15.00 H new ATOM 0 HB3 TYR A 251 3.974 -0.590 -3.186 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.573 -0.577 0.302 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.550 0.891 -2.367 1.00 15.00 H new ATOM 0 HE1 TYR A 251 3.821 0.346 2.198 1.00 15.00 H new ATOM 0 HE2 TYR A 251 6.833 1.739 -0.461 1.00 15.00 H new ATOM 0 HH TYR A 251 6.605 0.795 2.465 1.00 15.00 H new ATOM 272 N PHE A 252 -0.033 -0.208 -1.546 1.00 15.00 N ATOM 273 CA PHE A 252 -1.060 0.166 -0.587 1.00 15.00 C ATOM 274 C PHE A 252 -0.740 -0.385 0.791 1.00 15.00 C ATOM 275 O PHE A 252 -0.648 -1.599 0.987 1.00 15.00 O ATOM 276 CB PHE A 252 -2.443 -0.307 -1.056 1.00 15.00 C ATOM 277 CG PHE A 252 -2.966 0.503 -2.213 1.00 15.00 C ATOM 278 CD1 PHE A 252 -3.105 1.876 -2.091 1.00 15.00 C ATOM 279 CD2 PHE A 252 -3.275 -0.091 -3.433 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.549 2.642 -3.153 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.711 0.675 -4.501 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.849 2.041 -4.359 1.00 15.00 C ATOM 0 H PHE A 252 -0.206 -1.090 -2.028 1.00 15.00 H new ATOM 0 HA PHE A 252 -1.079 1.254 -0.520 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.386 -1.356 -1.347 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -3.146 -0.245 -0.225 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.863 2.355 -1.153 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -3.174 -1.160 -3.548 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.661 3.710 -3.039 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.943 0.204 -5.445 1.00 15.00 H new ATOM 0 HZ PHE A 252 -4.191 2.639 -5.191 1.00 15.00 H new ATOM 292 N LEU A 253 -0.561 0.527 1.732 1.00 15.00 N ATOM 293 CA LEU A 253 -0.201 0.178 3.089 1.00 15.00 C ATOM 294 C LEU A 253 -1.358 0.469 4.037 1.00 15.00 C ATOM 295 O LEU A 253 -1.808 1.603 4.161 1.00 15.00 O ATOM 296 CB LEU A 253 1.029 0.981 3.512 1.00 15.00 C ATOM 297 CG LEU A 253 2.044 0.248 4.391 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.151 1.196 4.786 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.402 -0.339 5.637 1.00 15.00 C ATOM 0 H LEU A 253 -0.662 1.529 1.573 1.00 15.00 H new ATOM 0 HA LEU A 253 0.025 -0.887 3.133 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.540 1.325 2.613 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.691 1.869 4.046 1.00 15.00 H new ATOM 0 HG LEU A 253 2.449 -0.580 3.809 1.00 15.00 H new ATOM 0 HD11 LEU A 253 3.873 0.672 5.412 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.649 1.567 3.890 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.731 2.035 5.341 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.160 -0.850 6.231 1.00 15.00 H new ATOM 0 HD22 LEU A 253 0.956 0.461 6.228 1.00 15.00 H new ATOM 0 HD23 LEU A 253 0.628 -1.050 5.347 1.00 15.00 H new ATOM 311 N HIS A 254 -1.839 -0.566 4.691 1.00 15.00 N ATOM 312 CA HIS A 254 -2.852 -0.423 5.721 1.00 15.00 C ATOM 313 C HIS A 254 -2.445 -1.223 6.917 1.00 15.00 C ATOM 314 O HIS A 254 -2.601 -2.447 6.924 1.00 15.00 O ATOM 315 CB HIS A 254 -4.218 -0.912 5.237 1.00 15.00 C ATOM 316 CG HIS A 254 -5.243 -1.154 6.319 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.778 -0.331 7.252 1.00 15.00 N flip ATOM 318 CD2 HIS A 254 -5.833 -2.386 6.523 1.00 15.00 C flip ATOM 319 CE1 HIS A 254 -6.664 -1.074 7.990 1.00 15.00 C flip ATOM 320 NE2 HIS A 254 -6.679 -2.310 7.532 1.00 15.00 N flip ATOM 0 H HIS A 254 -1.542 -1.528 4.527 1.00 15.00 H new ATOM 0 HA HIS A 254 -2.937 0.634 5.972 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.620 -0.179 4.538 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.077 -1.839 4.681 1.00 15.00 H new ATOM 0 HD1 HIS A 254 -5.562 0.657 7.382 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -5.632 -3.276 5.945 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -7.255 -0.705 8.815 1.00 15.00 H new ATOM 329 N THR A 255 -1.918 -0.590 7.930 1.00 15.00 N ATOM 330 CA THR A 255 -1.547 -1.391 9.058 1.00 15.00 C ATOM 331 C THR A 255 -2.650 -1.386 10.104 1.00 15.00 C ATOM 332 O THR A 255 -2.710 -0.556 11.011 1.00 15.00 O ATOM 333 CB THR A 255 -0.196 -0.935 9.665 1.00 15.00 C ATOM 334 OG1 THR A 255 0.073 -1.649 10.876 1.00 15.00 O ATOM 335 CG2 THR A 255 -0.172 0.567 9.933 1.00 15.00 C ATOM 0 H THR A 255 -1.745 0.413 7.999 1.00 15.00 H new ATOM 0 HA THR A 255 -1.412 -2.415 8.709 1.00 15.00 H new ATOM 0 HB THR A 255 0.580 -1.157 8.933 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.930 -1.352 11.247 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.792 0.845 10.358 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.326 1.106 8.998 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.966 0.824 10.635 1.00 15.00 H new ATOM 343 N GLN A 256 -3.555 -2.325 9.908 1.00 15.00 N ATOM 344 CA GLN A 256 -4.318 -2.949 10.959 1.00 15.00 C ATOM 345 C GLN A 256 -3.667 -4.288 11.206 1.00 15.00 C ATOM 346 O GLN A 256 -3.231 -4.628 12.301 1.00 15.00 O ATOM 347 CB GLN A 256 -5.769 -3.131 10.520 1.00 15.00 C ATOM 348 CG GLN A 256 -6.715 -3.545 11.629 1.00 15.00 C ATOM 349 CD GLN A 256 -8.092 -3.888 11.104 1.00 15.00 C ATOM 350 OE1 GLN A 256 -8.522 -3.372 10.072 1.00 15.00 O ATOM 351 NE2 GLN A 256 -8.798 -4.747 11.815 1.00 15.00 N ATOM 0 H GLN A 256 -3.783 -2.683 8.980 1.00 15.00 H new ATOM 0 HA GLN A 256 -4.329 -2.341 11.864 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -6.124 -2.196 10.087 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.805 -3.882 9.730 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -6.303 -4.407 12.154 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -6.796 -2.737 12.356 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -8.404 -5.151 12.664 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -9.738 -5.006 11.515 1.00 15.00 H new ATOM 360 N THR A 257 -3.600 -5.021 10.094 1.00 15.00 N ATOM 361 CA THR A 257 -3.097 -6.379 10.042 1.00 15.00 C ATOM 362 C THR A 257 -1.691 -6.436 9.555 1.00 15.00 C ATOM 363 O THR A 257 -0.965 -7.428 9.626 1.00 15.00 O ATOM 364 CB THR A 257 -4.023 -7.286 9.219 1.00 15.00 C ATOM 365 OG1 THR A 257 -4.089 -6.800 7.869 1.00 15.00 O ATOM 366 CG2 THR A 257 -5.427 -7.294 9.804 1.00 15.00 C ATOM 0 H THR A 257 -3.904 -4.670 9.186 1.00 15.00 H new ATOM 0 HA THR A 257 -3.090 -6.759 11.063 1.00 15.00 H new ATOM 0 HB THR A 257 -3.622 -8.299 9.240 1.00 15.00 H new ATOM 0 HG1 THR A 257 -4.678 -7.379 7.341 1.00 15.00 H new ATOM 0 HG21 THR A 257 -6.067 -7.943 9.206 1.00 15.00 H new ATOM 0 HG22 THR A 257 -5.392 -7.664 10.829 1.00 15.00 H new ATOM 0 HG23 THR A 257 -5.830 -6.281 9.797 1.00 15.00 H new ATOM 374 N GLY A 258 -1.401 -5.336 9.056 1.00 15.00 N ATOM 375 CA GLY A 258 -0.181 -5.073 8.311 1.00 15.00 C ATOM 376 C GLY A 258 -0.324 -5.354 6.822 1.00 15.00 C ATOM 377 O GLY A 258 0.232 -6.326 6.310 1.00 15.00 O ATOM 0 H GLY A 258 -2.008 -4.520 9.133 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.108 -4.032 8.453 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.625 -5.685 8.715 1.00 15.00 H new ATOM 381 N VAL A 259 -1.086 -4.514 6.129 1.00 15.00 N ATOM 382 CA VAL A 259 -1.245 -4.641 4.678 1.00 15.00 C ATOM 383 C VAL A 259 -0.199 -3.845 3.912 1.00 15.00 C ATOM 384 O VAL A 259 -0.017 -2.652 4.137 1.00 15.00 O ATOM 385 CB VAL A 259 -2.654 -4.208 4.191 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.708 -4.117 2.672 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.687 -5.201 4.678 1.00 15.00 C ATOM 0 H VAL A 259 -1.603 -3.739 6.544 1.00 15.00 H new ATOM 0 HA VAL A 259 -1.112 -5.703 4.471 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.868 -3.220 4.600 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.707 -3.812 2.361 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.980 -3.383 2.325 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.476 -5.091 2.241 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.675 -4.895 4.335 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -3.456 -6.190 4.283 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.675 -5.234 5.767 1.00 15.00 H new ATOM 397 N SER A 260 0.467 -4.537 3.010 1.00 15.00 N ATOM 398 CA SER A 260 1.352 -3.927 2.023 1.00 15.00 C ATOM 399 C SER A 260 1.264 -4.731 0.738 1.00 15.00 C ATOM 400 O SER A 260 1.819 -5.827 0.637 1.00 15.00 O ATOM 401 CB SER A 260 2.807 -3.842 2.511 1.00 15.00 C ATOM 402 OG SER A 260 3.157 -4.981 3.281 1.00 15.00 O ATOM 0 H SER A 260 0.412 -5.553 2.936 1.00 15.00 H new ATOM 0 HA SER A 260 1.027 -2.900 1.853 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.476 -3.759 1.655 1.00 15.00 H new ATOM 0 HB3 SER A 260 2.941 -2.940 3.109 1.00 15.00 H new ATOM 0 HG SER A 260 4.088 -4.902 3.577 1.00 15.00 H new ATOM 408 N THR A 261 0.526 -4.207 -0.218 1.00 15.00 N ATOM 409 CA THR A 261 0.208 -4.954 -1.422 1.00 15.00 C ATOM 410 C THR A 261 0.135 -4.050 -2.645 1.00 15.00 C ATOM 411 O THR A 261 -0.176 -2.861 -2.538 1.00 15.00 O ATOM 412 CB THR A 261 -1.121 -5.730 -1.277 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.442 -6.395 -2.505 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.263 -4.799 -0.889 1.00 15.00 C ATOM 0 H THR A 261 0.134 -3.266 -0.187 1.00 15.00 H new ATOM 0 HA THR A 261 1.019 -5.668 -1.563 1.00 15.00 H new ATOM 0 HB THR A 261 -0.992 -6.468 -0.485 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.339 -7.363 -2.390 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.185 -5.373 -0.794 1.00 15.00 H new ATOM 0 HG22 THR A 261 -2.035 -4.320 0.063 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.388 -4.036 -1.658 1.00 15.00 H new ATOM 422 N TRP A 262 0.465 -4.623 -3.796 1.00 15.00 N ATOM 423 CA TRP A 262 0.376 -3.917 -5.064 1.00 15.00 C ATOM 424 C TRP A 262 -1.076 -3.712 -5.480 1.00 15.00 C ATOM 425 O TRP A 262 -1.377 -2.837 -6.293 1.00 15.00 O ATOM 426 CB TRP A 262 1.069 -4.700 -6.177 1.00 15.00 C ATOM 427 CG TRP A 262 2.533 -4.937 -5.980 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.147 -6.122 -5.712 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.566 -3.979 -5.945 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.474 -5.994 -5.687 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.761 -4.701 -5.785 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.633 -2.593 -6.066 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.964 -4.114 -5.734 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.874 -2.014 -5.957 1.00 15.00 C ATOM 435 CH2 TRP A 262 6.002 -2.804 -5.798 1.00 15.00 C ATOM 0 H TRP A 262 0.799 -5.583 -3.875 1.00 15.00 H new ATOM 0 HA TRP A 262 0.864 -2.953 -4.919 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.573 -5.665 -6.282 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.928 -4.165 -7.116 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.624 -7.051 -5.541 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.149 -6.754 -5.607 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.748 -1.999 -6.238 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.869 -4.697 -5.644 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 4.971 -0.939 -5.995 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.962 -2.316 -5.723 1.00 15.00 H new ATOM 446 N HIS A 263 -1.974 -4.551 -4.970 1.00 15.00 N ATOM 447 CA HIS A 263 -3.358 -4.505 -5.419 1.00 15.00 C ATOM 448 C HIS A 263 -4.153 -3.506 -4.594 1.00 15.00 C ATOM 449 O HIS A 263 -4.082 -3.504 -3.362 1.00 15.00 O ATOM 450 CB HIS A 263 -4.016 -5.907 -5.394 1.00 15.00 C ATOM 451 CG HIS A 263 -4.743 -6.281 -4.129 1.00 15.00 C ATOM 452 ND1 HIS A 263 -6.059 -5.941 -3.889 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.348 -7.002 -3.052 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.437 -6.436 -2.727 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.420 -7.088 -2.196 1.00 15.00 N ATOM 0 H HIS A 263 -1.773 -5.256 -4.261 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.361 -4.171 -6.456 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.720 -5.969 -6.224 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.241 -6.652 -5.576 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.648 -5.391 -4.514 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.369 -7.431 -2.895 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.416 -6.326 -2.284 1.00 15.00 H new ATOM 464 N ASP A 264 -4.899 -2.660 -5.291 1.00 15.00 N ATOM 465 CA ASP A 264 -5.796 -1.707 -4.654 1.00 15.00 C ATOM 466 C ASP A 264 -6.701 -2.439 -3.663 1.00 15.00 C ATOM 467 O ASP A 264 -7.273 -3.473 -3.983 1.00 15.00 O ATOM 468 CB ASP A 264 -6.615 -0.984 -5.732 1.00 15.00 C ATOM 469 CG ASP A 264 -7.516 0.098 -5.174 1.00 15.00 C ATOM 470 OD1 ASP A 264 -8.473 -0.240 -4.459 1.00 15.00 O1- ATOM 471 OD2 ASP A 264 -7.270 1.290 -5.457 1.00 15.00 O ATOM 0 H ASP A 264 -4.899 -2.615 -6.310 1.00 15.00 H new ATOM 0 HA ASP A 264 -5.223 -0.962 -4.101 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.935 -0.541 -6.460 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -7.223 -1.714 -6.267 1.00 15.00 H new ATOM 476 N PRO A 265 -6.813 -1.937 -2.434 1.00 15.00 N ATOM 477 CA PRO A 265 -7.546 -2.624 -1.371 1.00 15.00 C ATOM 478 C PRO A 265 -9.049 -2.477 -1.477 1.00 15.00 C ATOM 479 O PRO A 265 -9.811 -3.187 -0.814 1.00 15.00 O ATOM 480 CB PRO A 265 -7.037 -1.950 -0.114 1.00 15.00 C ATOM 481 CG PRO A 265 -6.684 -0.567 -0.546 1.00 15.00 C ATOM 482 CD PRO A 265 -6.230 -0.669 -1.973 1.00 15.00 C ATOM 0 HA PRO A 265 -7.380 -3.701 -1.406 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -7.798 -1.940 0.666 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -6.171 -2.472 0.293 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -7.543 0.098 -0.459 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.896 -0.153 0.083 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.584 0.174 -2.567 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -5.143 -0.678 -2.048 1.00 15.00 H new ATOM 490 N ARG A 266 -9.473 -1.537 -2.287 1.00 15.00 N ATOM 491 CA ARG A 266 -10.875 -1.355 -2.579 1.00 15.00 C ATOM 492 C ARG A 266 -11.284 -2.432 -3.566 1.00 15.00 C ATOM 493 O ARG A 266 -12.456 -2.613 -3.896 1.00 15.00 O ATOM 494 CB ARG A 266 -11.061 0.027 -3.163 1.00 15.00 C ATOM 495 CG ARG A 266 -12.504 0.489 -3.290 1.00 15.00 C ATOM 496 CD ARG A 266 -13.063 1.036 -1.988 1.00 15.00 C ATOM 497 NE ARG A 266 -14.207 1.911 -2.240 1.00 15.00 N ATOM 498 CZ ARG A 266 -15.326 1.927 -1.522 1.00 15.00 C ATOM 499 NH1 ARG A 266 -15.486 1.106 -0.489 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -16.302 2.760 -1.851 1.00 15.00 N ATOM 0 H ARG A 266 -8.857 -0.877 -2.762 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.494 -1.439 -1.686 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.521 0.742 -2.542 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.601 0.051 -4.151 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -12.568 1.258 -4.059 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -13.120 -0.346 -3.622 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -13.366 0.212 -1.342 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.287 1.588 -1.458 1.00 15.00 H new ATOM 0 HE ARG A 266 -14.142 2.558 -3.026 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -14.745 0.452 -0.238 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -16.350 1.130 0.052 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -16.192 3.384 -2.651 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -17.163 2.778 -1.305 1.00 15.00 H new ATOM 514 N ILE A 267 -10.267 -3.131 -4.035 1.00 15.00 N ATOM 515 CA ILE A 267 -10.448 -4.286 -4.906 1.00 15.00 C ATOM 516 C ILE A 267 -10.712 -5.524 -4.051 1.00 15.00 C ATOM 517 O ILE A 267 -11.888 -5.774 -3.718 1.00 15.00 O ATOM 518 CB ILE A 267 -9.211 -4.553 -5.806 1.00 15.00 C ATOM 519 CG1 ILE A 267 -8.734 -3.271 -6.503 1.00 15.00 C ATOM 520 CG2 ILE A 267 -9.521 -5.629 -6.838 1.00 15.00 C ATOM 521 CD1 ILE A 267 -9.795 -2.591 -7.345 1.00 15.00 C ATOM 522 OXT ILE A 267 -9.741 -6.218 -3.678 1.00 15.00 O ATOM 0 H ILE A 267 -9.292 -2.917 -3.825 1.00 15.00 H new ATOM 0 HA ILE A 267 -11.294 -4.071 -5.559 1.00 15.00 H new ATOM 0 HB ILE A 267 -8.406 -4.904 -5.161 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -8.381 -2.569 -5.747 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.881 -3.512 -7.138 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -8.642 -5.802 -7.459 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -9.793 -6.554 -6.329 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -10.350 -5.303 -7.466 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -9.377 -1.694 -7.802 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -10.132 -3.273 -8.126 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -10.640 -2.316 -6.713 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 9.360 3.108 13.030 1.00 15.00 N ATOM 536 CA SER B 210 8.063 2.723 12.438 1.00 15.00 C ATOM 537 C SER B 210 8.095 2.891 10.917 1.00 15.00 C ATOM 538 O SER B 210 7.096 3.267 10.302 1.00 15.00 O ATOM 539 CB SER B 210 6.968 3.592 13.054 1.00 15.00 C ATOM 540 OG SER B 210 7.053 3.562 14.472 1.00 15.00 O ATOM 0 HA SER B 210 7.859 1.673 12.650 1.00 15.00 H new ATOM 0 HB2 SER B 210 7.066 4.618 12.699 1.00 15.00 H new ATOM 0 HB3 SER B 210 5.989 3.236 12.734 1.00 15.00 H new ATOM 0 HG SER B 210 7.992 3.483 14.742 1.00 15.00 H new ATOM 548 N ASP B 211 9.231 2.557 10.307 1.00 15.00 N ATOM 549 CA ASP B 211 9.409 2.721 8.866 1.00 15.00 C ATOM 550 C ASP B 211 8.966 1.460 8.132 1.00 15.00 C ATOM 551 O ASP B 211 9.370 0.352 8.486 1.00 15.00 O ATOM 552 CB ASP B 211 10.874 3.031 8.544 1.00 15.00 C ATOM 553 CG ASP B 211 11.361 4.299 9.218 1.00 15.00 C ATOM 554 OD1 ASP B 211 11.197 5.391 8.633 1.00 15.00 O1- ATOM 555 OD2 ASP B 211 11.902 4.208 10.339 1.00 15.00 O ATOM 0 H ASP B 211 10.043 2.171 10.789 1.00 15.00 H new ATOM 0 HA ASP B 211 8.793 3.556 8.532 1.00 15.00 H new ATOM 0 HB2 ASP B 211 11.497 2.194 8.859 1.00 15.00 H new ATOM 0 HB3 ASP B 211 10.993 3.128 7.465 1.00 15.00 H new ATOM 560 N PRO B 212 8.133 1.620 7.094 1.00 15.00 N ATOM 561 CA PRO B 212 7.545 0.507 6.354 1.00 15.00 C ATOM 562 C PRO B 212 8.399 0.054 5.169 1.00 15.00 C ATOM 563 O PRO B 212 9.118 0.848 4.556 1.00 15.00 O ATOM 564 CB PRO B 212 6.225 1.098 5.837 1.00 15.00 C ATOM 565 CG PRO B 212 6.249 2.564 6.167 1.00 15.00 C ATOM 566 CD PRO B 212 7.656 2.898 6.573 1.00 15.00 C ATOM 0 HA PRO B 212 7.439 -0.377 6.982 1.00 15.00 H new ATOM 0 HB2 PRO B 212 6.127 0.945 4.762 1.00 15.00 H new ATOM 0 HB3 PRO B 212 5.372 0.609 6.307 1.00 15.00 H new ATOM 0 HG2 PRO B 212 5.944 3.159 5.306 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.551 2.790 6.973 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.253 3.243 5.729 1.00 15.00 H new ATOM 0 HD3 PRO B 212 7.687 3.684 7.328 1.00 15.00 H new ATOM 574 N GLY B 213 8.279 -1.223 4.839 1.00 15.00 N ATOM 575 CA GLY B 213 8.999 -1.788 3.722 1.00 15.00 C ATOM 576 C GLY B 213 8.228 -1.698 2.418 1.00 15.00 C ATOM 577 O GLY B 213 7.009 -1.507 2.411 1.00 15.00 O ATOM 0 H GLY B 213 7.684 -1.886 5.336 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.952 -1.271 3.611 1.00 15.00 H new ATOM 0 HA3 GLY B 213 9.226 -2.833 3.933 1.00 15.00 H new HETATM 581 N SEP B 214 8.955 -1.809 1.322 1.00 15.00 N HETATM 582 CA SEP B 214 8.392 -1.748 -0.015 1.00 15.00 C HETATM 583 CB SEP B 214 9.328 -0.997 -0.970 1.00 15.00 C HETATM 584 OG SEP B 214 10.689 -1.347 -0.798 1.00 15.00 O HETATM 585 C SEP B 214 8.058 -3.144 -0.563 1.00 15.00 C HETATM 586 O SEP B 214 8.570 -4.159 -0.079 1.00 15.00 O HETATM 587 P SEP B 214 11.891 -0.608 -1.610 1.00 15.00 P HETATM 588 O1P SEP B 214 12.087 -1.274 -2.906 1.00 15.00 O HETATM 589 O2P SEP B 214 13.120 -0.675 -0.812 1.00 15.00 O HETATM 590 O3P SEP B 214 11.514 0.800 -1.824 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.032 -1.205 -1.998 1.00 15.00 H new HETATM 0 HB2 SEP B 214 9.212 0.076 -0.815 1.00 15.00 H new HETATM 0 HA SEP B 214 7.455 -1.195 0.055 1.00 15.00 H new HETATM 0 H SEP B 214 9.861 -1.381 1.514 1.00 15.00 H new ATOM 595 N PRO B 215 7.192 -3.197 -1.591 1.00 15.00 N ATOM 596 CA PRO B 215 6.827 -4.446 -2.270 1.00 15.00 C ATOM 597 C PRO B 215 7.801 -4.774 -3.397 1.00 15.00 C ATOM 598 O PRO B 215 8.344 -3.879 -4.042 1.00 15.00 O ATOM 599 CB PRO B 215 5.516 -4.076 -2.978 1.00 15.00 C ATOM 600 CG PRO B 215 5.051 -2.879 -2.289 1.00 15.00 C ATOM 601 CD PRO B 215 6.300 -2.119 -1.975 1.00 15.00 C ATOM 0 HA PRO B 215 6.795 -5.280 -1.569 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.679 -3.885 -4.039 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.786 -4.883 -2.908 1.00 15.00 H new ATOM 0 HG2 PRO B 215 4.379 -2.295 -2.918 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.501 -3.131 -1.382 1.00 15.00 H new ATOM 0 HD2 PRO B 215 6.672 -1.563 -2.836 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.153 -1.399 -1.170 1.00 15.00 H new ATOM 609 N PHE B 216 8.042 -6.053 -3.620 1.00 15.00 N ATOM 610 CA PHE B 216 8.953 -6.477 -4.671 1.00 15.00 C ATOM 611 C PHE B 216 8.245 -7.407 -5.642 1.00 15.00 C ATOM 612 O PHE B 216 7.494 -8.289 -5.218 1.00 15.00 O ATOM 613 CB PHE B 216 10.184 -7.164 -4.075 1.00 15.00 C ATOM 614 CG PHE B 216 11.097 -6.220 -3.340 1.00 15.00 C ATOM 615 CD1 PHE B 216 12.069 -5.508 -4.025 1.00 15.00 C ATOM 616 CD2 PHE B 216 10.983 -6.044 -1.971 1.00 15.00 C ATOM 617 CE1 PHE B 216 12.909 -4.637 -3.358 1.00 15.00 C ATOM 618 CE2 PHE B 216 11.820 -5.174 -1.297 1.00 15.00 C ATOM 619 CZ PHE B 216 12.785 -4.470 -1.991 1.00 15.00 C ATOM 0 H PHE B 216 7.621 -6.816 -3.089 1.00 15.00 H new ATOM 0 HA PHE B 216 9.284 -5.593 -5.215 1.00 15.00 H new ATOM 0 HB2 PHE B 216 9.858 -7.948 -3.392 1.00 15.00 H new ATOM 0 HB3 PHE B 216 10.743 -7.650 -4.875 1.00 15.00 H new ATOM 0 HD1 PHE B 216 12.171 -5.635 -5.093 1.00 15.00 H new ATOM 0 HD2 PHE B 216 10.231 -6.593 -1.423 1.00 15.00 H new ATOM 0 HE1 PHE B 216 13.662 -4.087 -3.904 1.00 15.00 H new ATOM 0 HE2 PHE B 216 11.720 -5.045 -0.229 1.00 15.00 H new ATOM 0 HZ PHE B 216 13.441 -3.791 -1.467 1.00 15.00 H new ATOM 629 N GLN B 217 8.506 -7.198 -6.932 1.00 15.00 N ATOM 630 CA GLN B 217 7.920 -7.997 -8.009 1.00 15.00 C ATOM 631 C GLN B 217 6.439 -7.669 -8.174 1.00 15.00 C ATOM 632 O GLN B 217 6.118 -6.787 -8.997 1.00 15.00 O ATOM 633 CB GLN B 217 8.110 -9.497 -7.756 1.00 15.00 C ATOM 634 CG GLN B 217 7.783 -10.369 -8.956 1.00 15.00 C ATOM 635 CD GLN B 217 7.575 -11.817 -8.569 1.00 15.00 C ATOM 636 OE1 GLN B 217 8.522 -12.604 -8.509 1.00 15.00 O ATOM 637 NE2 GLN B 217 6.327 -12.181 -8.318 1.00 15.00 N ATOM 638 OXT GLN B 217 5.600 -8.291 -7.484 1.00 15.00 O ATOM 0 H GLN B 217 9.134 -6.465 -7.262 1.00 15.00 H new ATOM 0 HA GLN B 217 8.440 -7.744 -8.933 1.00 15.00 H new ATOM 0 HB2 GLN B 217 9.143 -9.677 -7.459 1.00 15.00 H new ATOM 0 HB3 GLN B 217 7.480 -9.797 -6.919 1.00 15.00 H new ATOM 0 HG2 GLN B 217 6.884 -9.992 -9.443 1.00 15.00 H new ATOM 0 HG3 GLN B 217 8.592 -10.301 -9.684 1.00 15.00 H new ATOM 0 HE21 GLN B 217 5.574 -11.496 -8.380 1.00 15.00 H new ATOM 0 HE22 GLN B 217 6.119 -13.146 -8.063 1.00 15.00 H new TER 647 GLN B 217