USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=11 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 130:sc= -0.48 USER MOD Set 1.2: A 263 HIS : no HD1:sc= -1.2 X(o=-1.7,f=-1.7!) USER MOD Set 2.1: A 242 GLN : amide:sc= -0.319 K(o=0.3,f=-1.1) USER MOD Set 2.2: A 244 THR OG1 : rot -15:sc= 0.619 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 172:sc= -0.339! USER MOD Single : A 247 GLN : amide:sc=-0.00692 K(o=-0.0069,f=-2.2!) USER MOD Single : A 249 GLN : amide:sc= -5.29! C(o=-5.3!,f=-5.2!) USER MOD Single : A 251 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 HIS :FLIP no HE2:sc= -0.733 F(o=-2.2,f=-0.73) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : B 210 SER OG : rot -17:sc= 0.369 USER MOD Single : B 217 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -10.790 5.762 -4.618 1.00 15.00 N ATOM 2 CA GLU A 235 -11.080 5.834 -3.168 1.00 15.00 C ATOM 3 C GLU A 235 -10.837 4.481 -2.513 1.00 15.00 C ATOM 4 O GLU A 235 -11.206 3.438 -3.057 1.00 15.00 O ATOM 5 CB GLU A 235 -12.528 6.279 -2.927 1.00 15.00 C ATOM 6 CG GLU A 235 -13.569 5.381 -3.573 1.00 15.00 C ATOM 7 CD GLU A 235 -14.983 5.786 -3.218 1.00 15.00 C ATOM 8 OE1 GLU A 235 -15.481 6.780 -3.785 1.00 15.00 O ATOM 9 OE2 GLU A 235 -15.609 5.110 -2.374 1.00 15.00 O1- ATOM 0 HA GLU A 235 -10.411 6.570 -2.722 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -12.711 6.316 -1.853 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -12.653 7.293 -3.306 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -13.447 5.409 -4.656 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -13.400 4.351 -3.260 1.00 15.00 H new ATOM 18 N LEU A 236 -10.216 4.502 -1.345 1.00 15.00 N ATOM 19 CA LEU A 236 -9.954 3.287 -0.591 1.00 15.00 C ATOM 20 C LEU A 236 -10.889 3.230 0.602 1.00 15.00 C ATOM 21 O LEU A 236 -11.570 4.206 0.915 1.00 15.00 O ATOM 22 CB LEU A 236 -8.503 3.230 -0.054 1.00 15.00 C ATOM 23 CG LEU A 236 -7.362 3.401 -1.067 1.00 15.00 C ATOM 24 CD1 LEU A 236 -7.531 2.440 -2.219 1.00 15.00 C ATOM 25 CD2 LEU A 236 -7.264 4.836 -1.565 1.00 15.00 C ATOM 0 H LEU A 236 -9.882 5.354 -0.896 1.00 15.00 H new ATOM 0 HA LEU A 236 -10.109 2.448 -1.269 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.396 4.004 0.706 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.367 2.271 0.446 1.00 15.00 H new ATOM 0 HG LEU A 236 -6.426 3.170 -0.558 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -6.714 2.574 -2.928 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -7.521 1.417 -1.844 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -8.480 2.634 -2.718 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -6.445 4.918 -2.280 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -8.199 5.118 -2.050 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -7.078 5.502 -0.722 1.00 15.00 H new ATOM 37 N PRO A 237 -10.945 2.083 1.276 1.00 15.00 N ATOM 38 CA PRO A 237 -11.458 2.020 2.636 1.00 15.00 C ATOM 39 C PRO A 237 -10.483 2.715 3.562 1.00 15.00 C ATOM 40 O PRO A 237 -9.307 2.865 3.242 1.00 15.00 O ATOM 41 CB PRO A 237 -11.530 0.517 2.940 1.00 15.00 C ATOM 42 CG PRO A 237 -11.396 -0.167 1.617 1.00 15.00 C ATOM 43 CD PRO A 237 -10.593 0.758 0.752 1.00 15.00 C ATOM 0 HA PRO A 237 -12.426 2.506 2.763 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -10.733 0.216 3.620 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.473 0.259 3.421 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -10.898 -1.131 1.725 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.374 -0.361 1.177 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.524 0.562 0.834 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -10.856 0.657 -0.301 1.00 15.00 H new ATOM 51 N GLU A 238 -10.968 3.136 4.696 1.00 15.00 N ATOM 52 CA GLU A 238 -10.184 3.979 5.582 1.00 15.00 C ATOM 53 C GLU A 238 -9.025 3.214 6.211 1.00 15.00 C ATOM 54 O GLU A 238 -9.154 2.047 6.590 1.00 15.00 O ATOM 55 CB GLU A 238 -11.075 4.577 6.673 1.00 15.00 C ATOM 56 CG GLU A 238 -12.094 5.584 6.151 1.00 15.00 C ATOM 57 CD GLU A 238 -13.427 4.969 5.759 1.00 15.00 C ATOM 58 OE1 GLU A 238 -13.449 3.979 4.999 1.00 15.00 O ATOM 59 OE2 GLU A 238 -14.472 5.496 6.194 1.00 15.00 O1- ATOM 0 H GLU A 238 -11.903 2.914 5.037 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.762 4.785 4.981 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -11.603 3.770 7.181 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -10.445 5.064 7.417 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -12.266 6.341 6.916 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -11.673 6.096 5.285 1.00 15.00 H new ATOM 66 N GLY A 239 -7.903 3.911 6.348 1.00 15.00 N ATOM 67 CA GLY A 239 -6.708 3.330 6.923 1.00 15.00 C ATOM 68 C GLY A 239 -5.672 2.898 5.894 1.00 15.00 C ATOM 69 O GLY A 239 -4.670 2.279 6.256 1.00 15.00 O ATOM 0 H GLY A 239 -7.802 4.886 6.065 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.253 4.054 7.599 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -6.990 2.466 7.524 1.00 15.00 H new ATOM 73 N TYR A 240 -5.877 3.229 4.620 1.00 15.00 N ATOM 74 CA TYR A 240 -4.862 2.940 3.602 1.00 15.00 C ATOM 75 C TYR A 240 -4.076 4.194 3.255 1.00 15.00 C ATOM 76 O TYR A 240 -4.641 5.197 2.819 1.00 15.00 O ATOM 77 CB TYR A 240 -5.467 2.372 2.308 1.00 15.00 C ATOM 78 CG TYR A 240 -6.087 1.007 2.462 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.298 -0.123 2.600 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.459 0.851 2.479 1.00 15.00 C ATOM 81 CE1 TYR A 240 -5.868 -1.373 2.755 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.036 -0.386 2.638 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.238 -1.499 2.777 1.00 15.00 C ATOM 84 OH TYR A 240 -7.808 -2.738 2.939 1.00 15.00 O ATOM 0 H TYR A 240 -6.718 3.688 4.270 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.205 2.186 4.036 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.225 3.064 1.941 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.687 2.321 1.548 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.222 -0.026 2.586 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.091 1.719 2.365 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.241 -2.246 2.858 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.111 -0.485 2.654 1.00 15.00 H new ATOM 0 HH TYR A 240 -8.784 -2.652 2.933 1.00 15.00 H new ATOM 94 N GLU A 241 -2.775 4.125 3.451 1.00 15.00 N ATOM 95 CA GLU A 241 -1.879 5.182 3.036 1.00 15.00 C ATOM 96 C GLU A 241 -1.132 4.738 1.781 1.00 15.00 C ATOM 97 O GLU A 241 -0.540 3.659 1.747 1.00 15.00 O ATOM 98 CB GLU A 241 -0.899 5.522 4.166 1.00 15.00 C ATOM 99 CG GLU A 241 -0.221 4.306 4.775 1.00 15.00 C ATOM 100 CD GLU A 241 0.769 4.661 5.863 1.00 15.00 C ATOM 101 OE1 GLU A 241 0.337 4.858 7.016 1.00 15.00 O1- ATOM 102 OE2 GLU A 241 1.975 4.746 5.567 1.00 15.00 O ATOM 0 H GLU A 241 -2.311 3.336 3.901 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.451 6.082 2.809 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.135 6.198 3.781 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -1.434 6.059 4.949 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -0.981 3.642 5.186 1.00 15.00 H new ATOM 0 HG3 GLU A 241 0.294 3.753 3.989 1.00 15.00 H new ATOM 109 N GLN A 242 -1.186 5.550 0.741 1.00 15.00 N ATOM 110 CA GLN A 242 -0.496 5.230 -0.494 1.00 15.00 C ATOM 111 C GLN A 242 0.905 5.804 -0.439 1.00 15.00 C ATOM 112 O GLN A 242 1.089 7.022 -0.485 1.00 15.00 O ATOM 113 CB GLN A 242 -1.275 5.779 -1.700 1.00 15.00 C ATOM 114 CG GLN A 242 -0.808 5.267 -3.061 1.00 15.00 C ATOM 115 CD GLN A 242 0.445 5.954 -3.579 1.00 15.00 C ATOM 116 OE1 GLN A 242 1.562 5.518 -3.323 1.00 15.00 O ATOM 117 NE2 GLN A 242 0.270 7.027 -4.330 1.00 15.00 N ATOM 0 H GLN A 242 -1.698 6.432 0.727 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.431 4.148 -0.611 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.329 5.528 -1.577 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.204 6.867 -1.694 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.621 4.196 -2.991 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.611 5.403 -3.785 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -0.672 7.365 -4.525 1.00 15.00 H new ATOM 0 HE22 GLN A 242 1.077 7.517 -4.715 1.00 15.00 H new ATOM 126 N ARG A 243 1.888 4.934 -0.296 1.00 15.00 N ATOM 127 CA ARG A 243 3.262 5.385 -0.262 1.00 15.00 C ATOM 128 C ARG A 243 3.939 5.206 -1.591 1.00 15.00 C ATOM 129 O ARG A 243 3.901 4.146 -2.221 1.00 15.00 O ATOM 130 CB ARG A 243 4.077 4.719 0.831 1.00 15.00 C ATOM 131 CG ARG A 243 4.035 5.475 2.137 1.00 15.00 C ATOM 132 CD ARG A 243 4.895 4.804 3.195 1.00 15.00 C ATOM 133 NE ARG A 243 4.358 4.996 4.542 1.00 15.00 N ATOM 134 CZ ARG A 243 5.029 5.525 5.561 1.00 15.00 C ATOM 135 NH1 ARG A 243 6.295 5.887 5.421 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 4.424 5.675 6.730 1.00 15.00 N ATOM 0 H ARG A 243 1.762 3.926 -0.203 1.00 15.00 H new ATOM 0 HA ARG A 243 3.216 6.449 -0.032 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.704 3.707 0.990 1.00 15.00 H new ATOM 0 HB3 ARG A 243 5.112 4.629 0.502 1.00 15.00 H new ATOM 0 HG2 ARG A 243 4.381 6.496 1.979 1.00 15.00 H new ATOM 0 HG3 ARG A 243 3.005 5.538 2.489 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.965 3.737 2.982 1.00 15.00 H new ATOM 0 HD3 ARG A 243 5.907 5.206 3.148 1.00 15.00 H new ATOM 0 HE ARG A 243 3.396 4.702 4.713 1.00 15.00 H new ATOM 0 HH11 ARG A 243 6.765 5.761 4.525 1.00 15.00 H new ATOM 0 HH12 ARG A 243 6.800 6.292 6.209 1.00 15.00 H new ATOM 0 HH21 ARG A 243 3.452 5.386 6.842 1.00 15.00 H new ATOM 0 HH22 ARG A 243 4.930 6.080 7.518 1.00 15.00 H new ATOM 150 N THR A 244 4.604 6.261 -1.960 1.00 15.00 N ATOM 151 CA THR A 244 5.270 6.369 -3.238 1.00 15.00 C ATOM 152 C THR A 244 6.773 6.423 -3.012 1.00 15.00 C ATOM 153 O THR A 244 7.334 7.471 -2.687 1.00 15.00 O ATOM 154 CB THR A 244 4.796 7.617 -4.002 1.00 15.00 C ATOM 155 OG1 THR A 244 3.361 7.644 -4.035 1.00 15.00 O ATOM 156 CG2 THR A 244 5.336 7.625 -5.424 1.00 15.00 C ATOM 0 H THR A 244 4.704 7.090 -1.374 1.00 15.00 H new ATOM 0 HA THR A 244 5.022 5.497 -3.843 1.00 15.00 H new ATOM 0 HB THR A 244 5.173 8.499 -3.485 1.00 15.00 H new ATOM 0 HG1 THR A 244 3.011 6.763 -3.786 1.00 15.00 H new ATOM 0 HG21 THR A 244 4.985 8.518 -5.941 1.00 15.00 H new ATOM 0 HG22 THR A 244 6.426 7.624 -5.399 1.00 15.00 H new ATOM 0 HG23 THR A 244 4.984 6.739 -5.952 1.00 15.00 H new ATOM 164 N THR A 245 7.402 5.275 -3.146 1.00 15.00 N ATOM 165 CA THR A 245 8.801 5.117 -2.808 1.00 15.00 C ATOM 166 C THR A 245 9.692 5.353 -4.023 1.00 15.00 C ATOM 167 O THR A 245 9.280 5.118 -5.163 1.00 15.00 O ATOM 168 CB THR A 245 9.050 3.708 -2.228 1.00 15.00 C ATOM 169 OG1 THR A 245 10.423 3.535 -1.867 1.00 15.00 O ATOM 170 CG2 THR A 245 8.640 2.635 -3.221 1.00 15.00 C ATOM 0 H THR A 245 6.958 4.424 -3.492 1.00 15.00 H new ATOM 0 HA THR A 245 9.055 5.863 -2.055 1.00 15.00 H new ATOM 0 HB THR A 245 8.439 3.610 -1.330 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.531 2.688 -1.386 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.825 1.651 -2.790 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.579 2.738 -3.450 1.00 15.00 H new ATOM 0 HG23 THR A 245 9.221 2.745 -4.136 1.00 15.00 H new ATOM 178 N VAL A 246 10.907 5.836 -3.764 1.00 15.00 N ATOM 179 CA VAL A 246 11.912 6.084 -4.803 1.00 15.00 C ATOM 180 C VAL A 246 12.200 4.850 -5.658 1.00 15.00 C ATOM 181 O VAL A 246 12.822 4.946 -6.715 1.00 15.00 O ATOM 182 CB VAL A 246 13.236 6.564 -4.196 1.00 15.00 C ATOM 183 CG1 VAL A 246 13.143 8.028 -3.795 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.633 5.703 -3.001 1.00 15.00 C ATOM 0 H VAL A 246 11.225 6.068 -2.823 1.00 15.00 H new ATOM 0 HA VAL A 246 11.484 6.859 -5.439 1.00 15.00 H new ATOM 0 HB VAL A 246 14.011 6.465 -4.956 1.00 15.00 H new ATOM 0 HG11 VAL A 246 14.093 8.349 -3.367 1.00 15.00 H new ATOM 0 HG12 VAL A 246 12.919 8.632 -4.674 1.00 15.00 H new ATOM 0 HG13 VAL A 246 12.351 8.153 -3.057 1.00 15.00 H new ATOM 0 HG21 VAL A 246 14.575 6.064 -2.589 1.00 15.00 H new ATOM 0 HG22 VAL A 246 12.857 5.761 -2.237 1.00 15.00 H new ATOM 0 HG23 VAL A 246 13.751 4.668 -3.321 1.00 15.00 H new ATOM 194 N GLN A 247 11.773 3.693 -5.178 1.00 15.00 N ATOM 195 CA GLN A 247 11.849 2.446 -5.946 1.00 15.00 C ATOM 196 C GLN A 247 11.076 2.575 -7.263 1.00 15.00 C ATOM 197 O GLN A 247 11.225 1.757 -8.172 1.00 15.00 O ATOM 198 CB GLN A 247 11.271 1.281 -5.136 1.00 15.00 C ATOM 199 CG GLN A 247 11.724 1.247 -3.688 1.00 15.00 C ATOM 200 CD GLN A 247 13.226 1.134 -3.537 1.00 15.00 C ATOM 201 OE1 GLN A 247 13.934 2.140 -3.527 1.00 15.00 O ATOM 202 NE2 GLN A 247 13.719 -0.084 -3.389 1.00 15.00 N ATOM 0 H GLN A 247 11.364 3.585 -4.250 1.00 15.00 H new ATOM 0 HA GLN A 247 12.899 2.250 -6.163 1.00 15.00 H new ATOM 0 HB2 GLN A 247 10.183 1.338 -5.164 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.553 0.344 -5.616 1.00 15.00 H new ATOM 0 HG2 GLN A 247 11.382 2.152 -3.185 1.00 15.00 H new ATOM 0 HG3 GLN A 247 11.250 0.404 -3.185 1.00 15.00 H new ATOM 0 HE21 GLN A 247 13.096 -0.892 -3.403 1.00 15.00 H new ATOM 0 HE22 GLN A 247 14.722 -0.216 -3.260 1.00 15.00 H new ATOM 211 N GLY A 248 10.219 3.586 -7.328 1.00 15.00 N ATOM 212 CA GLY A 248 9.462 3.857 -8.533 1.00 15.00 C ATOM 213 C GLY A 248 8.167 3.083 -8.556 1.00 15.00 C ATOM 214 O GLY A 248 7.734 2.605 -9.603 1.00 15.00 O ATOM 0 H GLY A 248 10.034 4.229 -6.558 1.00 15.00 H new ATOM 0 HA2 GLY A 248 9.251 4.924 -8.599 1.00 15.00 H new ATOM 0 HA3 GLY A 248 10.059 3.595 -9.406 1.00 15.00 H new ATOM 218 N GLN A 249 7.542 2.959 -7.394 1.00 15.00 N ATOM 219 CA GLN A 249 6.362 2.125 -7.261 1.00 15.00 C ATOM 220 C GLN A 249 5.419 2.650 -6.180 1.00 15.00 C ATOM 221 O GLN A 249 5.858 3.064 -5.101 1.00 15.00 O ATOM 222 CB GLN A 249 6.800 0.692 -6.945 1.00 15.00 C ATOM 223 CG GLN A 249 7.677 0.570 -5.716 1.00 15.00 C ATOM 224 CD GLN A 249 8.520 -0.693 -5.710 1.00 15.00 C ATOM 225 OE1 GLN A 249 8.889 -1.213 -6.762 1.00 15.00 O ATOM 226 NE2 GLN A 249 8.848 -1.184 -4.526 1.00 15.00 N ATOM 0 H GLN A 249 7.833 3.424 -6.534 1.00 15.00 H new ATOM 0 HA GLN A 249 5.811 2.145 -8.201 1.00 15.00 H new ATOM 0 HB2 GLN A 249 5.913 0.074 -6.808 1.00 15.00 H new ATOM 0 HB3 GLN A 249 7.338 0.290 -7.804 1.00 15.00 H new ATOM 0 HG2 GLN A 249 8.333 1.438 -5.657 1.00 15.00 H new ATOM 0 HG3 GLN A 249 7.049 0.585 -4.825 1.00 15.00 H new ATOM 0 HE21 GLN A 249 8.523 -0.725 -3.675 1.00 15.00 H new ATOM 0 HE22 GLN A 249 9.426 -2.022 -4.464 1.00 15.00 H new ATOM 235 N VAL A 250 4.125 2.633 -6.482 1.00 15.00 N ATOM 236 CA VAL A 250 3.099 2.945 -5.494 1.00 15.00 C ATOM 237 C VAL A 250 2.675 1.665 -4.790 1.00 15.00 C ATOM 238 O VAL A 250 2.471 0.634 -5.433 1.00 15.00 O ATOM 239 CB VAL A 250 1.852 3.618 -6.128 1.00 15.00 C ATOM 240 CG1 VAL A 250 2.188 5.004 -6.643 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.279 2.764 -7.253 1.00 15.00 C ATOM 0 H VAL A 250 3.761 2.405 -7.407 1.00 15.00 H new ATOM 0 HA VAL A 250 3.529 3.652 -4.785 1.00 15.00 H new ATOM 0 HB VAL A 250 1.096 3.711 -5.348 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.298 5.455 -7.082 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.539 5.624 -5.818 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.969 4.932 -7.400 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.407 3.260 -7.678 1.00 15.00 H new ATOM 0 HG22 VAL A 250 2.034 2.629 -8.028 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.986 1.791 -6.858 1.00 15.00 H new ATOM 251 N TYR A 251 2.579 1.711 -3.477 1.00 15.00 N ATOM 252 CA TYR A 251 2.176 0.537 -2.729 1.00 15.00 C ATOM 253 C TYR A 251 1.183 0.914 -1.637 1.00 15.00 C ATOM 254 O TYR A 251 1.343 1.931 -0.955 1.00 15.00 O ATOM 255 CB TYR A 251 3.420 -0.217 -2.204 1.00 15.00 C ATOM 256 CG TYR A 251 4.369 0.545 -1.278 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.970 0.994 -0.024 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.692 0.788 -1.656 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.850 1.652 0.816 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.566 1.436 -0.823 1.00 15.00 C ATOM 261 CZ TYR A 251 6.149 1.867 0.411 1.00 15.00 C ATOM 262 OH TYR A 251 7.031 2.522 1.239 1.00 15.00 O ATOM 0 H TYR A 251 2.772 2.537 -2.911 1.00 15.00 H new ATOM 0 HA TYR A 251 1.652 -0.157 -3.386 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.076 -1.106 -1.675 1.00 15.00 H new ATOM 0 HB3 TYR A 251 3.994 -0.560 -3.065 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.954 0.826 0.300 1.00 15.00 H new ATOM 0 HD2 TYR A 251 6.033 0.458 -2.626 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.520 1.996 1.785 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.585 1.608 -1.138 1.00 15.00 H new ATOM 0 HH TYR A 251 7.904 2.588 0.800 1.00 15.00 H new ATOM 272 N PHE A 252 0.147 0.096 -1.490 1.00 15.00 N ATOM 273 CA PHE A 252 -0.942 0.411 -0.581 1.00 15.00 C ATOM 274 C PHE A 252 -0.667 -0.139 0.797 1.00 15.00 C ATOM 275 O PHE A 252 -0.530 -1.347 0.992 1.00 15.00 O ATOM 276 CB PHE A 252 -2.274 -0.102 -1.130 1.00 15.00 C ATOM 277 CG PHE A 252 -2.753 0.744 -2.279 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.971 2.100 -2.093 1.00 15.00 C ATOM 279 CD2 PHE A 252 -2.919 0.212 -3.553 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.355 2.907 -3.147 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.290 1.021 -4.612 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.508 2.369 -4.407 1.00 15.00 C ATOM 0 H PHE A 252 0.041 -0.788 -1.988 1.00 15.00 H new ATOM 0 HA PHE A 252 -1.014 1.495 -0.497 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.161 -1.135 -1.458 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -3.022 -0.100 -0.337 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.839 2.531 -1.112 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -2.757 -0.843 -3.717 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.535 3.959 -2.984 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.409 0.598 -5.599 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.798 3.001 -5.233 1.00 15.00 H new ATOM 292 N LEU A 253 -0.581 0.778 1.741 1.00 15.00 N ATOM 293 CA LEU A 253 -0.196 0.459 3.093 1.00 15.00 C ATOM 294 C LEU A 253 -1.374 0.615 4.044 1.00 15.00 C ATOM 295 O LEU A 253 -1.932 1.697 4.191 1.00 15.00 O ATOM 296 CB LEU A 253 0.924 1.399 3.519 1.00 15.00 C ATOM 297 CG LEU A 253 2.142 0.752 4.169 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.136 1.828 4.543 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.761 -0.055 5.397 1.00 15.00 C ATOM 0 H LEU A 253 -0.778 1.767 1.587 1.00 15.00 H new ATOM 0 HA LEU A 253 0.141 -0.577 3.130 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.259 1.952 2.641 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.511 2.128 4.216 1.00 15.00 H new ATOM 0 HG LEU A 253 2.589 0.064 3.452 1.00 15.00 H new ATOM 0 HD11 LEU A 253 4.009 1.371 5.008 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.443 2.367 3.647 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.673 2.523 5.244 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.656 -0.500 5.832 1.00 15.00 H new ATOM 0 HD22 LEU A 253 1.288 0.599 6.130 1.00 15.00 H new ATOM 0 HD23 LEU A 253 1.065 -0.844 5.112 1.00 15.00 H new ATOM 311 N HIS A 254 -1.759 -0.473 4.668 1.00 15.00 N ATOM 312 CA HIS A 254 -2.728 -0.430 5.748 1.00 15.00 C ATOM 313 C HIS A 254 -2.207 -1.246 6.887 1.00 15.00 C ATOM 314 O HIS A 254 -2.365 -2.469 6.892 1.00 15.00 O ATOM 315 CB HIS A 254 -4.091 -0.992 5.330 1.00 15.00 C ATOM 316 CG HIS A 254 -5.058 -1.193 6.471 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.570 -0.321 7.372 1.00 15.00 N flip ATOM 318 CD2 HIS A 254 -5.562 -2.431 6.816 1.00 15.00 C flip ATOM 319 CE1 HIS A 254 -6.350 -1.044 8.239 1.00 15.00 C flip ATOM 320 NE2 HIS A 254 -6.326 -2.312 7.886 1.00 15.00 N flip ATOM 0 H HIS A 254 -1.415 -1.408 4.447 1.00 15.00 H new ATOM 0 HA HIS A 254 -2.868 0.613 6.030 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.541 -0.317 4.603 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -3.938 -1.947 4.827 1.00 15.00 H new ATOM 0 HD1 HIS A 254 -5.406 0.685 7.401 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -5.362 -3.354 6.292 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.896 -0.638 9.077 1.00 15.00 H new ATOM 329 N THR A 255 -1.562 -0.632 7.847 1.00 15.00 N ATOM 330 CA THR A 255 -1.120 -1.452 8.931 1.00 15.00 C ATOM 331 C THR A 255 -2.140 -1.429 10.059 1.00 15.00 C ATOM 332 O THR A 255 -2.124 -0.586 10.953 1.00 15.00 O ATOM 333 CB THR A 255 0.283 -1.024 9.430 1.00 15.00 C ATOM 334 OG1 THR A 255 0.640 -1.757 10.604 1.00 15.00 O ATOM 335 CG2 THR A 255 0.348 0.474 9.703 1.00 15.00 C ATOM 0 H THR A 255 -1.345 0.363 7.899 1.00 15.00 H new ATOM 0 HA THR A 255 -1.032 -2.477 8.569 1.00 15.00 H new ATOM 0 HB THR A 255 0.998 -1.250 8.639 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.529 -1.477 10.907 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.347 0.737 10.051 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.127 1.021 8.786 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.384 0.737 10.467 1.00 15.00 H new ATOM 343 N GLN A 256 -3.083 -2.347 9.935 1.00 15.00 N ATOM 344 CA GLN A 256 -3.748 -2.976 11.049 1.00 15.00 C ATOM 345 C GLN A 256 -3.101 -4.333 11.205 1.00 15.00 C ATOM 346 O GLN A 256 -2.660 -4.740 12.273 1.00 15.00 O ATOM 347 CB GLN A 256 -5.249 -3.117 10.786 1.00 15.00 C ATOM 348 CG GLN A 256 -6.053 -3.535 12.002 1.00 15.00 C ATOM 349 CD GLN A 256 -7.530 -3.687 11.702 1.00 15.00 C ATOM 350 OE1 GLN A 256 -8.298 -2.730 11.810 1.00 15.00 O ATOM 351 NE2 GLN A 256 -7.941 -4.891 11.333 1.00 15.00 N ATOM 0 H GLN A 256 -3.412 -2.680 9.029 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.649 -2.379 11.956 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.634 -2.166 10.419 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.401 -3.850 9.994 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.665 -4.480 12.382 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -5.921 -2.795 12.792 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -7.272 -5.657 11.256 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -8.927 -5.052 11.126 1.00 15.00 H new ATOM 360 N THR A 257 -3.079 -5.021 10.064 1.00 15.00 N ATOM 361 CA THR A 257 -2.509 -6.345 9.932 1.00 15.00 C ATOM 362 C THR A 257 -1.136 -6.304 9.358 1.00 15.00 C ATOM 363 O THR A 257 -0.340 -7.246 9.362 1.00 15.00 O ATOM 364 CB THR A 257 -3.446 -7.289 9.158 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.637 -6.781 7.828 1.00 15.00 O ATOM 366 CG2 THR A 257 -4.804 -7.385 9.843 1.00 15.00 C ATOM 0 H THR A 257 -3.467 -4.659 9.193 1.00 15.00 H new ATOM 0 HA THR A 257 -2.408 -6.759 10.935 1.00 15.00 H new ATOM 0 HB THR A 257 -2.991 -8.279 9.129 1.00 15.00 H new ATOM 0 HG1 THR A 257 -4.232 -7.381 7.331 1.00 15.00 H new ATOM 0 HG21 THR A 257 -5.450 -8.058 9.278 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.675 -7.770 10.854 1.00 15.00 H new ATOM 0 HG23 THR A 257 -5.260 -6.396 9.887 1.00 15.00 H new ATOM 374 N GLY A 258 -0.943 -5.170 8.885 1.00 15.00 N ATOM 375 CA GLY A 258 0.218 -4.809 8.100 1.00 15.00 C ATOM 376 C GLY A 258 0.064 -5.150 6.630 1.00 15.00 C ATOM 377 O GLY A 258 0.629 -6.130 6.152 1.00 15.00 O ATOM 0 H GLY A 258 -1.597 -4.399 9.016 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.402 -3.740 8.203 1.00 15.00 H new ATOM 0 HA3 GLY A 258 1.093 -5.323 8.497 1.00 15.00 H new ATOM 381 N VAL A 259 -0.731 -4.361 5.920 1.00 15.00 N ATOM 382 CA VAL A 259 -0.844 -4.503 4.463 1.00 15.00 C ATOM 383 C VAL A 259 0.171 -3.649 3.715 1.00 15.00 C ATOM 384 O VAL A 259 0.250 -2.438 3.905 1.00 15.00 O ATOM 385 CB VAL A 259 -2.262 -4.165 3.919 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.239 -3.971 2.407 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.221 -5.284 4.263 1.00 15.00 C ATOM 0 H VAL A 259 -1.306 -3.619 6.320 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.641 -5.558 4.280 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.590 -3.235 4.384 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.243 -3.736 2.055 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.565 -3.152 2.155 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -1.892 -4.886 1.928 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.213 -5.044 3.880 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -2.873 -6.213 3.811 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.269 -5.402 5.345 1.00 15.00 H new ATOM 397 N SER A 260 0.949 -4.319 2.886 1.00 15.00 N ATOM 398 CA SER A 260 1.744 -3.677 1.848 1.00 15.00 C ATOM 399 C SER A 260 1.558 -4.467 0.563 1.00 15.00 C ATOM 400 O SER A 260 2.113 -5.555 0.405 1.00 15.00 O ATOM 401 CB SER A 260 3.232 -3.595 2.221 1.00 15.00 C ATOM 402 OG SER A 260 3.645 -4.733 2.964 1.00 15.00 O ATOM 0 H SER A 260 1.050 -5.334 2.912 1.00 15.00 H new ATOM 0 HA SER A 260 1.404 -2.649 1.723 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.832 -3.514 1.314 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.413 -2.692 2.805 1.00 15.00 H new ATOM 0 HG SER A 260 4.596 -4.652 3.185 1.00 15.00 H new ATOM 408 N THR A 261 0.732 -3.957 -0.329 1.00 15.00 N ATOM 409 CA THR A 261 0.317 -4.742 -1.480 1.00 15.00 C ATOM 410 C THR A 261 0.335 -3.930 -2.770 1.00 15.00 C ATOM 411 O THR A 261 0.172 -2.706 -2.758 1.00 15.00 O ATOM 412 CB THR A 261 -1.083 -5.357 -1.259 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.401 -6.250 -2.333 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.151 -4.278 -1.155 1.00 15.00 C ATOM 0 H THR A 261 0.339 -3.017 -0.283 1.00 15.00 H new ATOM 0 HA THR A 261 1.044 -5.547 -1.586 1.00 15.00 H new ATOM 0 HB THR A 261 -1.063 -5.909 -0.319 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.705 -7.107 -1.967 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.124 -4.743 -1.000 1.00 15.00 H new ATOM 0 HG22 THR A 261 -1.924 -3.622 -0.315 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.170 -3.695 -2.076 1.00 15.00 H new ATOM 422 N TRP A 262 0.582 -4.633 -3.873 1.00 15.00 N ATOM 423 CA TRP A 262 0.619 -4.033 -5.198 1.00 15.00 C ATOM 424 C TRP A 262 -0.761 -3.610 -5.668 1.00 15.00 C ATOM 425 O TRP A 262 -0.916 -2.594 -6.349 1.00 15.00 O ATOM 426 CB TRP A 262 1.200 -5.021 -6.210 1.00 15.00 C ATOM 427 CG TRP A 262 2.691 -5.086 -6.204 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.481 -6.190 -6.111 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.576 -3.995 -6.201 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.782 -5.866 -6.194 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.878 -4.531 -6.219 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.411 -2.615 -6.216 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.987 -3.755 -6.240 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.534 -1.842 -6.195 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.798 -2.432 -6.209 1.00 15.00 C ATOM 0 H TRP A 262 0.762 -5.637 -3.870 1.00 15.00 H new ATOM 0 HA TRP A 262 1.249 -3.146 -5.129 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.802 -6.014 -6.003 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.862 -4.744 -7.209 1.00 15.00 H new ATOM 0 HD1 TRP A 262 3.110 -7.197 -5.987 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.561 -6.523 -6.231 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.427 -2.170 -6.243 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.977 -4.184 -6.280 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 4.444 -0.766 -6.167 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.666 -1.789 -6.194 1.00 15.00 H new ATOM 446 N HIS A 263 -1.760 -4.408 -5.332 1.00 15.00 N ATOM 447 CA HIS A 263 -3.103 -4.165 -5.822 1.00 15.00 C ATOM 448 C HIS A 263 -3.819 -3.174 -4.924 1.00 15.00 C ATOM 449 O HIS A 263 -3.685 -3.222 -3.702 1.00 15.00 O ATOM 450 CB HIS A 263 -3.904 -5.479 -5.918 1.00 15.00 C ATOM 451 CG HIS A 263 -4.555 -5.930 -4.636 1.00 15.00 C ATOM 452 ND1 HIS A 263 -5.873 -5.657 -4.332 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.077 -6.649 -3.591 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.171 -6.187 -3.164 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.103 -6.797 -2.694 1.00 15.00 N ATOM 0 H HIS A 263 -1.667 -5.223 -4.726 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.028 -3.742 -6.824 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.677 -5.359 -6.677 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.237 -6.268 -6.265 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.074 -7.034 -3.485 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.131 -6.131 -2.673 1.00 15.00 H new ATOM 0 HE2 HIS A 263 -5.048 -7.298 -1.807 1.00 15.00 H new ATOM 464 N ASP A 264 -4.572 -2.276 -5.536 1.00 15.00 N ATOM 465 CA ASP A 264 -5.457 -1.395 -4.790 1.00 15.00 C ATOM 466 C ASP A 264 -6.383 -2.259 -3.938 1.00 15.00 C ATOM 467 O ASP A 264 -7.015 -3.171 -4.446 1.00 15.00 O ATOM 468 CB ASP A 264 -6.262 -0.523 -5.762 1.00 15.00 C ATOM 469 CG ASP A 264 -7.068 0.554 -5.070 1.00 15.00 C ATOM 470 OD1 ASP A 264 -7.945 0.213 -4.257 1.00 15.00 O1- ATOM 471 OD2 ASP A 264 -6.830 1.752 -5.347 1.00 15.00 O ATOM 0 H ASP A 264 -4.589 -2.137 -6.546 1.00 15.00 H new ATOM 0 HA ASP A 264 -4.882 -0.732 -4.143 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.579 -0.057 -6.472 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -6.935 -1.158 -6.337 1.00 15.00 H new ATOM 476 N PRO A 265 -6.459 -2.023 -2.632 1.00 15.00 N ATOM 477 CA PRO A 265 -7.223 -2.883 -1.736 1.00 15.00 C ATOM 478 C PRO A 265 -8.721 -2.740 -1.917 1.00 15.00 C ATOM 479 O PRO A 265 -9.503 -3.552 -1.423 1.00 15.00 O ATOM 480 CB PRO A 265 -6.798 -2.447 -0.334 1.00 15.00 C ATOM 481 CG PRO A 265 -5.669 -1.485 -0.529 1.00 15.00 C ATOM 482 CD PRO A 265 -5.816 -0.925 -1.911 1.00 15.00 C ATOM 0 HA PRO A 265 -7.021 -3.935 -1.935 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -7.626 -1.976 0.196 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -6.483 -3.303 0.263 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -5.704 -0.691 0.216 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -4.708 -1.987 -0.415 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.426 -0.022 -1.920 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -4.852 -0.663 -2.347 1.00 15.00 H new ATOM 490 N ARG A 266 -9.120 -1.689 -2.603 1.00 15.00 N ATOM 491 CA ARG A 266 -10.512 -1.488 -2.937 1.00 15.00 C ATOM 492 C ARG A 266 -10.877 -2.399 -4.096 1.00 15.00 C ATOM 493 O ARG A 266 -12.037 -2.508 -4.496 1.00 15.00 O ATOM 494 CB ARG A 266 -10.735 -0.041 -3.320 1.00 15.00 C ATOM 495 CG ARG A 266 -12.185 0.383 -3.256 1.00 15.00 C ATOM 496 CD ARG A 266 -12.705 0.421 -1.829 1.00 15.00 C ATOM 497 NE ARG A 266 -14.131 0.731 -1.781 1.00 15.00 N ATOM 498 CZ ARG A 266 -14.677 1.610 -0.943 1.00 15.00 C ATOM 499 NH1 ARG A 266 -13.920 2.265 -0.069 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -15.981 1.831 -0.973 1.00 15.00 N ATOM 0 H ARG A 266 -8.495 -0.958 -2.941 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.141 -1.725 -2.079 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.149 0.596 -2.658 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.362 0.121 -4.331 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -12.295 1.369 -3.708 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.791 -0.307 -3.844 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.526 -0.542 -1.351 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.151 1.168 -1.260 1.00 15.00 H new ATOM 0 HE ARG A 266 -14.748 0.243 -2.431 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -12.915 2.096 -0.037 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -14.344 2.937 0.570 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -16.568 1.328 -1.638 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -16.399 2.504 -0.331 1.00 15.00 H new ATOM 514 N ILE A 267 -9.849 -3.023 -4.631 1.00 15.00 N ATOM 515 CA ILE A 267 -10.004 -4.000 -5.708 1.00 15.00 C ATOM 516 C ILE A 267 -10.419 -5.347 -5.123 1.00 15.00 C ATOM 517 O ILE A 267 -9.537 -6.067 -4.608 1.00 15.00 O ATOM 518 CB ILE A 267 -8.704 -4.204 -6.530 1.00 15.00 C ATOM 519 CG1 ILE A 267 -8.138 -2.870 -7.038 1.00 15.00 C ATOM 520 CG2 ILE A 267 -8.956 -5.147 -7.702 1.00 15.00 C ATOM 521 CD1 ILE A 267 -9.100 -2.075 -7.897 1.00 15.00 C ATOM 522 OXT ILE A 267 -11.624 -5.674 -5.162 1.00 15.00 O ATOM 0 H ILE A 267 -8.883 -2.874 -4.339 1.00 15.00 H new ATOM 0 HA ILE A 267 -10.768 -3.607 -6.379 1.00 15.00 H new ATOM 0 HB ILE A 267 -7.964 -4.650 -5.866 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.846 -2.262 -6.182 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.233 -3.067 -7.613 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -8.034 -5.279 -8.268 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -9.292 -6.113 -7.326 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -9.722 -4.724 -8.351 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -8.623 -1.148 -8.214 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -9.374 -2.661 -8.774 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -9.996 -1.844 -7.321 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 8.106 4.006 12.670 1.00 15.00 N ATOM 536 CA SER B 210 8.166 2.617 12.178 1.00 15.00 C ATOM 537 C SER B 210 8.371 2.600 10.668 1.00 15.00 C ATOM 538 O SER B 210 7.774 3.399 9.944 1.00 15.00 O ATOM 539 CB SER B 210 6.876 1.886 12.561 1.00 15.00 C ATOM 540 OG SER B 210 5.740 2.718 12.377 1.00 15.00 O ATOM 0 HA SER B 210 9.011 2.105 12.638 1.00 15.00 H new ATOM 0 HB2 SER B 210 6.772 0.985 11.956 1.00 15.00 H new ATOM 0 HB3 SER B 210 6.931 1.566 13.602 1.00 15.00 H new ATOM 0 HG SER B 210 6.027 3.653 12.309 1.00 15.00 H new ATOM 548 N ASP B 211 9.212 1.689 10.190 1.00 15.00 N ATOM 549 CA ASP B 211 9.458 1.564 8.762 1.00 15.00 C ATOM 550 C ASP B 211 8.468 0.580 8.152 1.00 15.00 C ATOM 551 O ASP B 211 8.253 -0.511 8.678 1.00 15.00 O ATOM 552 CB ASP B 211 10.902 1.117 8.482 1.00 15.00 C ATOM 553 CG ASP B 211 11.211 -0.289 8.966 1.00 15.00 C ATOM 554 OD1 ASP B 211 11.532 -0.447 10.167 1.00 15.00 O1- ATOM 555 OD2 ASP B 211 11.158 -1.235 8.149 1.00 15.00 O ATOM 0 H ASP B 211 9.732 1.030 10.769 1.00 15.00 H new ATOM 0 HA ASP B 211 9.320 2.543 8.303 1.00 15.00 H new ATOM 0 HB2 ASP B 211 11.088 1.172 7.409 1.00 15.00 H new ATOM 0 HB3 ASP B 211 11.588 1.815 8.961 1.00 15.00 H new ATOM 560 N PRO B 212 7.835 0.971 7.043 1.00 15.00 N ATOM 561 CA PRO B 212 6.884 0.127 6.345 1.00 15.00 C ATOM 562 C PRO B 212 7.553 -0.737 5.291 1.00 15.00 C ATOM 563 O PRO B 212 8.659 -0.435 4.832 1.00 15.00 O ATOM 564 CB PRO B 212 5.955 1.142 5.691 1.00 15.00 C ATOM 565 CG PRO B 212 6.767 2.374 5.487 1.00 15.00 C ATOM 566 CD PRO B 212 7.975 2.283 6.389 1.00 15.00 C ATOM 0 HA PRO B 212 6.381 -0.575 7.009 1.00 15.00 H new ATOM 0 HB2 PRO B 212 5.573 0.766 4.742 1.00 15.00 H new ATOM 0 HB3 PRO B 212 5.092 1.345 6.325 1.00 15.00 H new ATOM 0 HG2 PRO B 212 7.074 2.461 4.445 1.00 15.00 H new ATOM 0 HG3 PRO B 212 6.180 3.262 5.722 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.903 2.348 5.821 1.00 15.00 H new ATOM 0 HD3 PRO B 212 7.990 3.093 7.118 1.00 15.00 H new ATOM 574 N GLY B 213 6.874 -1.800 4.897 1.00 15.00 N ATOM 575 CA GLY B 213 7.430 -2.703 3.920 1.00 15.00 C ATOM 576 C GLY B 213 7.068 -2.310 2.506 1.00 15.00 C ATOM 577 O GLY B 213 5.916 -1.992 2.212 1.00 15.00 O ATOM 0 H GLY B 213 5.946 -2.053 5.238 1.00 15.00 H new ATOM 0 HA2 GLY B 213 8.515 -2.723 4.023 1.00 15.00 H new ATOM 0 HA3 GLY B 213 7.072 -3.714 4.117 1.00 15.00 H new HETATM 581 N SEP B 214 8.061 -2.312 1.643 1.00 15.00 N HETATM 582 CA SEP B 214 7.863 -2.058 0.232 1.00 15.00 C HETATM 583 CB SEP B 214 9.058 -1.324 -0.392 1.00 15.00 C HETATM 584 OG SEP B 214 9.941 -0.815 0.596 1.00 15.00 O HETATM 585 C SEP B 214 7.593 -3.382 -0.489 1.00 15.00 C HETATM 586 O SEP B 214 7.899 -4.458 0.028 1.00 15.00 O HETATM 587 P SEP B 214 10.739 0.595 0.443 1.00 15.00 P HETATM 588 O1P SEP B 214 11.997 0.353 -0.276 1.00 15.00 O HETATM 589 O2P SEP B 214 11.017 1.138 1.776 1.00 15.00 O HETATM 590 O3P SEP B 214 9.909 1.531 -0.316 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.601 -2.005 -1.047 1.00 15.00 H new HETATM 0 HB2 SEP B 214 8.697 -0.504 -1.013 1.00 15.00 H new HETATM 0 HA SEP B 214 7.000 -1.402 0.118 1.00 15.00 H new HETATM 0 H SEP B 214 8.921 -2.009 2.100 1.00 15.00 H new ATOM 595 N PRO B 215 7.018 -3.315 -1.690 1.00 15.00 N ATOM 596 CA PRO B 215 6.543 -4.485 -2.432 1.00 15.00 C ATOM 597 C PRO B 215 7.645 -5.095 -3.293 1.00 15.00 C ATOM 598 O PRO B 215 8.273 -4.414 -4.105 1.00 15.00 O ATOM 599 CB PRO B 215 5.553 -3.870 -3.431 1.00 15.00 C ATOM 600 CG PRO B 215 5.372 -2.464 -3.012 1.00 15.00 C ATOM 601 CD PRO B 215 6.635 -2.081 -2.334 1.00 15.00 C ATOM 0 HA PRO B 215 6.159 -5.249 -1.755 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.939 -3.927 -4.449 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.604 -4.406 -3.420 1.00 15.00 H new ATOM 0 HG2 PRO B 215 5.178 -1.821 -3.871 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.520 -2.362 -2.339 1.00 15.00 H new ATOM 0 HD2 PRO B 215 7.390 -1.739 -3.042 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.484 -1.276 -1.615 1.00 15.00 H new ATOM 609 N PHE B 216 7.890 -6.376 -3.075 1.00 15.00 N ATOM 610 CA PHE B 216 8.890 -7.116 -3.832 1.00 15.00 C ATOM 611 C PHE B 216 8.232 -8.265 -4.579 1.00 15.00 C ATOM 612 O PHE B 216 8.905 -9.074 -5.217 1.00 15.00 O ATOM 613 CB PHE B 216 9.983 -7.650 -2.902 1.00 15.00 C ATOM 614 CG PHE B 216 10.767 -6.568 -2.210 1.00 15.00 C ATOM 615 CD1 PHE B 216 11.743 -5.860 -2.892 1.00 15.00 C ATOM 616 CD2 PHE B 216 10.526 -6.260 -0.880 1.00 15.00 C ATOM 617 CE1 PHE B 216 12.464 -4.862 -2.261 1.00 15.00 C ATOM 618 CE2 PHE B 216 11.243 -5.263 -0.245 1.00 15.00 C ATOM 619 CZ PHE B 216 12.214 -4.565 -0.936 1.00 15.00 C ATOM 0 H PHE B 216 7.404 -6.932 -2.371 1.00 15.00 H new ATOM 0 HA PHE B 216 9.350 -6.440 -4.553 1.00 15.00 H new ATOM 0 HB2 PHE B 216 9.526 -8.293 -2.150 1.00 15.00 H new ATOM 0 HB3 PHE B 216 10.668 -8.271 -3.479 1.00 15.00 H new ATOM 0 HD1 PHE B 216 11.943 -6.090 -3.928 1.00 15.00 H new ATOM 0 HD2 PHE B 216 9.770 -6.805 -0.334 1.00 15.00 H new ATOM 0 HE1 PHE B 216 13.221 -4.316 -2.804 1.00 15.00 H new ATOM 0 HE2 PHE B 216 11.044 -5.030 0.791 1.00 15.00 H new ATOM 0 HZ PHE B 216 12.777 -3.788 -0.441 1.00 15.00 H new ATOM 629 N GLN B 217 6.907 -8.320 -4.485 1.00 15.00 N ATOM 630 CA GLN B 217 6.118 -9.350 -5.147 1.00 15.00 C ATOM 631 C GLN B 217 6.374 -9.341 -6.649 1.00 15.00 C ATOM 632 O GLN B 217 6.864 -10.361 -7.177 1.00 15.00 O ATOM 633 CB GLN B 217 4.627 -9.134 -4.874 1.00 15.00 C ATOM 634 CG GLN B 217 4.266 -9.134 -3.398 1.00 15.00 C ATOM 635 CD GLN B 217 2.804 -8.809 -3.155 1.00 15.00 C ATOM 636 OE1 GLN B 217 1.942 -9.213 -4.076 1.00 15.00 O flip ATOM 637 NE2 GLN B 217 2.449 -8.213 -2.138 1.00 15.00 N flip ATOM 638 OXT GLN B 217 6.108 -8.304 -7.294 1.00 15.00 O ATOM 0 H GLN B 217 6.352 -7.653 -3.949 1.00 15.00 H new ATOM 0 HA GLN B 217 6.418 -10.319 -4.747 1.00 15.00 H new ATOM 0 HB2 GLN B 217 4.321 -8.184 -5.313 1.00 15.00 H new ATOM 0 HB3 GLN B 217 4.058 -9.916 -5.377 1.00 15.00 H new ATOM 0 HG2 GLN B 217 4.493 -10.111 -2.972 1.00 15.00 H new ATOM 0 HG3 GLN B 217 4.888 -8.407 -2.876 1.00 15.00 H new ATOM 0 HE21 GLN B 217 3.143 -7.918 -1.451 1.00 15.00 H new ATOM 0 HE22 GLN B 217 1.461 -8.014 -1.982 1.00 15.00 H new TER 647 GLN B 217