USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=10 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 -148:sc= 1.05 USER MOD Set 1.2: A 263 HIS :FLIP no HD1:sc= -0.0872 F(o=-1.4,f=0.97) USER MOD Set 2.1: A 254 HIS : no HD1:sc= -0.489 X(o=-0.49,f=-0.23) USER MOD Set 2.2: A 256 GLN : amide:sc= 0 X(o=-0.49,f=-0.91) USER MOD Set 3.1: A 242 GLN : amide:sc= -0.403 X(o=-0.36,f=-0.089) USER MOD Set 3.2: A 244 THR OG1 : rot 180:sc= 0.0404 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 160:sc= -1.06 USER MOD Single : A 247 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 249 GLN : amide:sc= -4.08! C(o=-4.1!,f=-4.4!) USER MOD Single : A 251 TYR OH : rot 166:sc= 0 USER MOD Single : A 255 THR OG1 : rot 180:sc= -0.484 USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 49:sc= 0.0458 USER MOD Single : B 210 SER OG : rot 25:sc= 0.249 USER MOD Single : B 217 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -9.677 6.811 -4.740 1.00 15.00 N ATOM 2 CA GLU A 235 -10.311 6.903 -3.405 1.00 15.00 C ATOM 3 C GLU A 235 -10.494 5.517 -2.807 1.00 15.00 C ATOM 4 O GLU A 235 -11.324 4.735 -3.269 1.00 15.00 O ATOM 5 CB GLU A 235 -11.661 7.622 -3.490 1.00 15.00 C ATOM 6 CG GLU A 235 -11.554 9.140 -3.555 1.00 15.00 C ATOM 7 CD GLU A 235 -10.594 9.618 -4.620 1.00 15.00 C ATOM 8 OE1 GLU A 235 -10.746 9.213 -5.788 1.00 15.00 O1- ATOM 9 OE2 GLU A 235 -9.655 10.366 -4.287 1.00 15.00 O ATOM 0 HA GLU A 235 -9.652 7.482 -2.758 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -12.194 7.268 -4.372 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -12.262 7.348 -2.623 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -12.541 9.561 -3.748 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -11.230 9.518 -2.585 1.00 15.00 H new ATOM 18 N LEU A 236 -9.700 5.206 -1.796 1.00 15.00 N ATOM 19 CA LEU A 236 -9.773 3.906 -1.143 1.00 15.00 C ATOM 20 C LEU A 236 -10.660 4.001 0.090 1.00 15.00 C ATOM 21 O LEU A 236 -11.099 5.093 0.458 1.00 15.00 O ATOM 22 CB LEU A 236 -8.376 3.440 -0.708 1.00 15.00 C ATOM 23 CG LEU A 236 -7.227 3.829 -1.637 1.00 15.00 C ATOM 24 CD1 LEU A 236 -5.896 3.434 -1.025 1.00 15.00 C ATOM 25 CD2 LEU A 236 -7.396 3.181 -3.000 1.00 15.00 C ATOM 0 H LEU A 236 -8.997 5.835 -1.408 1.00 15.00 H new ATOM 0 HA LEU A 236 -10.188 3.190 -1.852 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.170 3.845 0.283 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.389 2.354 -0.612 1.00 15.00 H new ATOM 0 HG LEU A 236 -7.243 4.911 -1.768 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -5.087 3.718 -1.699 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -5.769 3.944 -0.070 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -5.874 2.356 -0.866 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -6.567 3.471 -3.646 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -7.407 2.097 -2.889 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -8.335 3.509 -3.445 1.00 15.00 H new ATOM 37 N PRO A 237 -10.955 2.863 0.732 1.00 15.00 N ATOM 38 CA PRO A 237 -11.505 2.861 2.088 1.00 15.00 C ATOM 39 C PRO A 237 -10.457 3.324 3.085 1.00 15.00 C ATOM 40 O PRO A 237 -9.254 3.303 2.808 1.00 15.00 O ATOM 41 CB PRO A 237 -11.866 1.389 2.341 1.00 15.00 C ATOM 42 CG PRO A 237 -11.865 0.740 0.998 1.00 15.00 C ATOM 43 CD PRO A 237 -10.876 1.504 0.167 1.00 15.00 C ATOM 0 HA PRO A 237 -12.358 3.530 2.196 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -11.143 0.916 3.005 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.842 1.301 2.818 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.582 -0.310 1.073 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.858 0.772 0.549 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.872 1.089 0.251 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -11.140 1.490 -0.890 1.00 15.00 H new ATOM 51 N GLU A 238 -10.920 3.729 4.244 1.00 15.00 N ATOM 52 CA GLU A 238 -10.045 4.295 5.262 1.00 15.00 C ATOM 53 C GLU A 238 -9.129 3.226 5.848 1.00 15.00 C ATOM 54 O GLU A 238 -9.492 2.050 5.928 1.00 15.00 O ATOM 55 CB GLU A 238 -10.861 4.960 6.379 1.00 15.00 C ATOM 56 CG GLU A 238 -11.953 4.081 6.979 1.00 15.00 C ATOM 57 CD GLU A 238 -13.240 4.111 6.178 1.00 15.00 C ATOM 58 OE1 GLU A 238 -14.098 4.977 6.457 1.00 15.00 O1- ATOM 59 OE2 GLU A 238 -13.401 3.277 5.266 1.00 15.00 O ATOM 0 H GLU A 238 -11.903 3.680 4.513 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.429 5.056 4.783 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -10.181 5.266 7.174 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -11.319 5.867 5.985 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.593 3.054 7.041 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -12.157 4.409 7.998 1.00 15.00 H new ATOM 66 N GLY A 239 -7.950 3.653 6.280 1.00 15.00 N ATOM 67 CA GLY A 239 -6.970 2.732 6.813 1.00 15.00 C ATOM 68 C GLY A 239 -5.893 2.378 5.804 1.00 15.00 C ATOM 69 O GLY A 239 -4.848 1.845 6.172 1.00 15.00 O ATOM 0 H GLY A 239 -7.655 4.629 6.270 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.506 3.172 7.695 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.472 1.821 7.138 1.00 15.00 H new ATOM 73 N TYR A 240 -6.133 2.675 4.530 1.00 15.00 N ATOM 74 CA TYR A 240 -5.129 2.429 3.503 1.00 15.00 C ATOM 75 C TYR A 240 -4.306 3.681 3.252 1.00 15.00 C ATOM 76 O TYR A 240 -4.829 4.713 2.829 1.00 15.00 O ATOM 77 CB TYR A 240 -5.758 1.957 2.187 1.00 15.00 C ATOM 78 CG TYR A 240 -6.566 0.690 2.325 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.949 -0.512 2.628 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.942 0.700 2.161 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.683 -1.675 2.768 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.684 -0.453 2.298 1.00 15.00 C ATOM 83 CZ TYR A 240 -8.052 -1.641 2.605 1.00 15.00 C ATOM 84 OH TYR A 240 -8.787 -2.800 2.731 1.00 15.00 O ATOM 0 H TYR A 240 -7.004 3.082 4.188 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.482 1.634 3.873 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.400 2.747 1.797 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.968 1.796 1.453 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.877 -0.541 2.757 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.441 1.627 1.922 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -6.187 -2.605 3.004 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.756 -0.427 2.166 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.736 -2.603 2.588 1.00 15.00 H new ATOM 94 N GLU A 241 -3.027 3.588 3.541 1.00 15.00 N ATOM 95 CA GLU A 241 -2.092 4.653 3.257 1.00 15.00 C ATOM 96 C GLU A 241 -1.423 4.384 1.924 1.00 15.00 C ATOM 97 O GLU A 241 -0.740 3.374 1.756 1.00 15.00 O ATOM 98 CB GLU A 241 -1.040 4.746 4.361 1.00 15.00 C ATOM 99 CG GLU A 241 -1.627 4.980 5.739 1.00 15.00 C ATOM 100 CD GLU A 241 -0.568 5.068 6.813 1.00 15.00 C ATOM 101 OE1 GLU A 241 0.172 6.074 6.842 1.00 15.00 O ATOM 102 OE2 GLU A 241 -0.485 4.145 7.650 1.00 15.00 O1- ATOM 0 H GLU A 241 -2.605 2.770 3.981 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.629 5.601 3.213 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.457 3.825 4.375 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -0.350 5.556 4.127 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -2.209 5.902 5.731 1.00 15.00 H new ATOM 0 HG3 GLU A 241 -2.316 4.170 5.979 1.00 15.00 H new ATOM 109 N GLN A 242 -1.637 5.263 0.967 1.00 15.00 N ATOM 110 CA GLN A 242 -1.005 5.109 -0.323 1.00 15.00 C ATOM 111 C GLN A 242 0.326 5.824 -0.307 1.00 15.00 C ATOM 112 O GLN A 242 0.400 7.045 -0.450 1.00 15.00 O ATOM 113 CB GLN A 242 -1.909 5.629 -1.443 1.00 15.00 C ATOM 114 CG GLN A 242 -1.467 5.244 -2.852 1.00 15.00 C ATOM 115 CD GLN A 242 -0.511 6.239 -3.485 1.00 15.00 C ATOM 116 OE1 GLN A 242 -0.940 7.200 -4.124 1.00 15.00 O ATOM 117 NE2 GLN A 242 0.786 6.008 -3.339 1.00 15.00 N ATOM 0 H GLN A 242 -2.237 6.083 1.058 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.835 4.051 -0.521 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.919 5.254 -1.279 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.958 6.716 -1.377 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.989 4.265 -2.818 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -2.348 5.147 -3.486 1.00 15.00 H new ATOM 0 HE21 GLN A 242 1.103 5.201 -2.802 1.00 15.00 H new ATOM 0 HE22 GLN A 242 1.467 6.637 -3.764 1.00 15.00 H new ATOM 126 N ARG A 243 1.371 5.061 -0.072 1.00 15.00 N ATOM 127 CA ARG A 243 2.707 5.615 -0.010 1.00 15.00 C ATOM 128 C ARG A 243 3.460 5.384 -1.294 1.00 15.00 C ATOM 129 O ARG A 243 3.266 4.384 -1.990 1.00 15.00 O ATOM 130 CB ARG A 243 3.504 5.065 1.173 1.00 15.00 C ATOM 131 CG ARG A 243 3.344 5.897 2.425 1.00 15.00 C ATOM 132 CD ARG A 243 4.144 5.328 3.580 1.00 15.00 C ATOM 133 NE ARG A 243 5.523 5.009 3.206 1.00 15.00 N ATOM 134 CZ ARG A 243 6.596 5.542 3.792 1.00 15.00 C ATOM 135 NH1 ARG A 243 6.452 6.439 4.763 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 7.811 5.161 3.421 1.00 15.00 N ATOM 0 H ARG A 243 1.322 4.054 0.080 1.00 15.00 H new ATOM 0 HA ARG A 243 2.589 6.689 0.136 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.183 4.044 1.378 1.00 15.00 H new ATOM 0 HB3 ARG A 243 4.559 5.020 0.905 1.00 15.00 H new ATOM 0 HG2 ARG A 243 3.667 6.919 2.227 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.290 5.943 2.700 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.151 6.045 4.401 1.00 15.00 H new ATOM 0 HD3 ARG A 243 3.653 4.427 3.948 1.00 15.00 H new ATOM 0 HE ARG A 243 5.672 4.339 2.452 1.00 15.00 H new ATOM 0 HH11 ARG A 243 5.519 6.722 5.062 1.00 15.00 H new ATOM 0 HH12 ARG A 243 7.275 6.844 5.209 1.00 15.00 H new ATOM 0 HH21 ARG A 243 7.924 4.461 2.688 1.00 15.00 H new ATOM 0 HH22 ARG A 243 8.632 5.568 3.869 1.00 15.00 H new ATOM 150 N THR A 244 4.338 6.314 -1.573 1.00 15.00 N ATOM 151 CA THR A 244 5.137 6.286 -2.773 1.00 15.00 C ATOM 152 C THR A 244 6.603 6.182 -2.381 1.00 15.00 C ATOM 153 O THR A 244 7.081 6.936 -1.537 1.00 15.00 O ATOM 154 CB THR A 244 4.891 7.544 -3.631 1.00 15.00 C ATOM 155 OG1 THR A 244 3.475 7.736 -3.817 1.00 15.00 O ATOM 156 CG2 THR A 244 5.568 7.421 -4.989 1.00 15.00 C ATOM 0 H THR A 244 4.520 7.117 -0.971 1.00 15.00 H new ATOM 0 HA THR A 244 4.855 5.422 -3.375 1.00 15.00 H new ATOM 0 HB THR A 244 5.316 8.401 -3.109 1.00 15.00 H new ATOM 0 HG1 THR A 244 3.322 8.537 -4.361 1.00 15.00 H new ATOM 0 HG21 THR A 244 5.378 8.322 -5.573 1.00 15.00 H new ATOM 0 HG22 THR A 244 6.642 7.298 -4.850 1.00 15.00 H new ATOM 0 HG23 THR A 244 5.169 6.555 -5.517 1.00 15.00 H new ATOM 164 N THR A 245 7.296 5.224 -2.963 1.00 15.00 N ATOM 165 CA THR A 245 8.667 4.939 -2.584 1.00 15.00 C ATOM 166 C THR A 245 9.622 5.224 -3.734 1.00 15.00 C ATOM 167 O THR A 245 9.244 5.123 -4.904 1.00 15.00 O ATOM 168 CB THR A 245 8.817 3.475 -2.123 1.00 15.00 C ATOM 169 OG1 THR A 245 10.170 3.194 -1.759 1.00 15.00 O ATOM 170 CG2 THR A 245 8.381 2.516 -3.214 1.00 15.00 C ATOM 0 H THR A 245 6.931 4.626 -3.704 1.00 15.00 H new ATOM 0 HA THR A 245 8.922 5.595 -1.752 1.00 15.00 H new ATOM 0 HB THR A 245 8.176 3.338 -1.252 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.196 2.401 -1.183 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.496 1.490 -2.864 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.336 2.699 -3.463 1.00 15.00 H new ATOM 0 HG23 THR A 245 8.997 2.669 -4.100 1.00 15.00 H new ATOM 178 N VAL A 246 10.852 5.594 -3.387 1.00 15.00 N ATOM 179 CA VAL A 246 11.896 5.903 -4.363 1.00 15.00 C ATOM 180 C VAL A 246 12.154 4.713 -5.300 1.00 15.00 C ATOM 181 O VAL A 246 12.754 4.865 -6.368 1.00 15.00 O ATOM 182 CB VAL A 246 13.205 6.306 -3.642 1.00 15.00 C ATOM 183 CG1 VAL A 246 14.292 6.689 -4.629 1.00 15.00 C ATOM 184 CG2 VAL A 246 12.945 7.454 -2.678 1.00 15.00 C ATOM 0 H VAL A 246 11.155 5.689 -2.418 1.00 15.00 H new ATOM 0 HA VAL A 246 11.550 6.741 -4.968 1.00 15.00 H new ATOM 0 HB VAL A 246 13.554 5.439 -3.081 1.00 15.00 H new ATOM 0 HG11 VAL A 246 15.196 6.966 -4.086 1.00 15.00 H new ATOM 0 HG12 VAL A 246 14.506 5.842 -5.281 1.00 15.00 H new ATOM 0 HG13 VAL A 246 13.957 7.534 -5.230 1.00 15.00 H new ATOM 0 HG21 VAL A 246 13.874 7.727 -2.178 1.00 15.00 H new ATOM 0 HG22 VAL A 246 12.564 8.313 -3.230 1.00 15.00 H new ATOM 0 HG23 VAL A 246 12.210 7.145 -1.934 1.00 15.00 H new ATOM 194 N GLN A 247 11.672 3.534 -4.904 1.00 15.00 N ATOM 195 CA GLN A 247 11.759 2.334 -5.739 1.00 15.00 C ATOM 196 C GLN A 247 10.999 2.533 -7.049 1.00 15.00 C ATOM 197 O GLN A 247 11.206 1.806 -8.021 1.00 15.00 O ATOM 198 CB GLN A 247 11.170 1.122 -5.011 1.00 15.00 C ATOM 199 CG GLN A 247 11.684 0.932 -3.599 1.00 15.00 C ATOM 200 CD GLN A 247 13.196 0.837 -3.534 1.00 15.00 C ATOM 201 OE1 GLN A 247 13.888 1.841 -3.357 1.00 15.00 O ATOM 202 NE2 GLN A 247 13.724 -0.367 -3.684 1.00 15.00 N ATOM 0 H GLN A 247 11.215 3.384 -4.005 1.00 15.00 H new ATOM 0 HA GLN A 247 12.814 2.157 -5.949 1.00 15.00 H new ATOM 0 HB2 GLN A 247 10.085 1.224 -4.980 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.389 0.224 -5.589 1.00 15.00 H new ATOM 0 HG2 GLN A 247 11.350 1.764 -2.980 1.00 15.00 H new ATOM 0 HG3 GLN A 247 11.249 0.026 -3.177 1.00 15.00 H new ATOM 0 HE21 GLN A 247 13.119 -1.175 -3.829 1.00 15.00 H new ATOM 0 HE22 GLN A 247 14.736 -0.487 -3.655 1.00 15.00 H new ATOM 211 N GLY A 248 10.081 3.489 -7.038 1.00 15.00 N ATOM 212 CA GLY A 248 9.312 3.798 -8.230 1.00 15.00 C ATOM 213 C GLY A 248 8.035 2.994 -8.304 1.00 15.00 C ATOM 214 O GLY A 248 7.606 2.581 -9.382 1.00 15.00 O ATOM 0 H GLY A 248 9.853 4.059 -6.223 1.00 15.00 H new ATOM 0 HA2 GLY A 248 9.072 4.861 -8.241 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.918 3.599 -9.114 1.00 15.00 H new ATOM 218 N GLN A 249 7.417 2.778 -7.152 1.00 15.00 N ATOM 219 CA GLN A 249 6.234 1.941 -7.068 1.00 15.00 C ATOM 220 C GLN A 249 5.297 2.424 -5.969 1.00 15.00 C ATOM 221 O GLN A 249 5.740 2.817 -4.887 1.00 15.00 O ATOM 222 CB GLN A 249 6.649 0.486 -6.811 1.00 15.00 C ATOM 223 CG GLN A 249 7.572 0.305 -5.624 1.00 15.00 C ATOM 224 CD GLN A 249 8.401 -0.963 -5.710 1.00 15.00 C ATOM 225 OE1 GLN A 249 8.712 -1.442 -6.799 1.00 15.00 O ATOM 226 NE2 GLN A 249 8.789 -1.502 -4.564 1.00 15.00 N ATOM 0 H GLN A 249 7.718 3.173 -6.261 1.00 15.00 H new ATOM 0 HA GLN A 249 5.698 2.003 -8.015 1.00 15.00 H new ATOM 0 HB2 GLN A 249 5.752 -0.114 -6.655 1.00 15.00 H new ATOM 0 HB3 GLN A 249 7.141 0.097 -7.703 1.00 15.00 H new ATOM 0 HG2 GLN A 249 8.238 1.165 -5.554 1.00 15.00 H new ATOM 0 HG3 GLN A 249 6.980 0.285 -4.709 1.00 15.00 H new ATOM 0 HE21 GLN A 249 8.511 -1.076 -3.680 1.00 15.00 H new ATOM 0 HE22 GLN A 249 9.366 -2.343 -4.566 1.00 15.00 H new ATOM 235 N VAL A 250 4.005 2.393 -6.254 1.00 15.00 N ATOM 236 CA VAL A 250 2.994 2.673 -5.246 1.00 15.00 C ATOM 237 C VAL A 250 2.602 1.380 -4.552 1.00 15.00 C ATOM 238 O VAL A 250 2.423 0.349 -5.201 1.00 15.00 O ATOM 239 CB VAL A 250 1.730 3.337 -5.841 1.00 15.00 C ATOM 240 CG1 VAL A 250 2.024 4.758 -6.293 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.177 2.523 -7.001 1.00 15.00 C ATOM 0 H VAL A 250 3.631 2.176 -7.178 1.00 15.00 H new ATOM 0 HA VAL A 250 3.429 3.376 -4.536 1.00 15.00 H new ATOM 0 HB VAL A 250 0.976 3.371 -5.054 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.119 5.203 -6.707 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.361 5.348 -5.441 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.803 4.744 -7.055 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.289 3.014 -7.399 1.00 15.00 H new ATOM 0 HG22 VAL A 250 1.931 2.447 -7.784 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.914 1.524 -6.652 1.00 15.00 H new ATOM 251 N TYR A 251 2.499 1.424 -3.239 1.00 15.00 N ATOM 252 CA TYR A 251 2.131 0.245 -2.480 1.00 15.00 C ATOM 253 C TYR A 251 1.114 0.611 -1.401 1.00 15.00 C ATOM 254 O TYR A 251 1.219 1.659 -0.760 1.00 15.00 O ATOM 255 CB TYR A 251 3.400 -0.449 -1.933 1.00 15.00 C ATOM 256 CG TYR A 251 4.355 0.407 -1.106 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.929 1.132 0.001 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.705 0.472 -1.441 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.816 1.890 0.743 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.589 1.219 -0.708 1.00 15.00 C ATOM 261 CZ TYR A 251 6.145 1.930 0.387 1.00 15.00 C ATOM 262 OH TYR A 251 7.024 2.693 1.126 1.00 15.00 O ATOM 0 H TYR A 251 2.664 2.259 -2.677 1.00 15.00 H new ATOM 0 HA TYR A 251 1.639 -0.482 -3.126 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.087 -1.295 -1.321 1.00 15.00 H new ATOM 0 HB3 TYR A 251 3.955 -0.856 -2.778 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.888 1.103 0.286 1.00 15.00 H new ATOM 0 HD2 TYR A 251 6.063 -0.079 -2.298 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.467 2.449 1.599 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.632 1.251 -0.987 1.00 15.00 H new ATOM 0 HH TYR A 251 7.944 2.441 0.902 1.00 15.00 H new ATOM 272 N PHE A 252 0.111 -0.240 -1.229 1.00 15.00 N ATOM 273 CA PHE A 252 -0.995 0.067 -0.333 1.00 15.00 C ATOM 274 C PHE A 252 -0.720 -0.420 1.072 1.00 15.00 C ATOM 275 O PHE A 252 -0.553 -1.617 1.312 1.00 15.00 O ATOM 276 CB PHE A 252 -2.301 -0.510 -0.877 1.00 15.00 C ATOM 277 CG PHE A 252 -2.760 0.239 -2.097 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.996 1.605 -2.025 1.00 15.00 C ATOM 279 CD2 PHE A 252 -2.909 -0.397 -3.322 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.365 2.318 -3.149 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.290 0.312 -4.446 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.514 1.674 -4.359 1.00 15.00 C ATOM 0 H PHE A 252 0.041 -1.144 -1.696 1.00 15.00 H new ATOM 0 HA PHE A 252 -1.098 1.151 -0.283 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.162 -1.562 -1.124 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -3.071 -0.463 -0.107 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.890 2.116 -1.080 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -2.725 -1.459 -3.398 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.537 3.382 -3.080 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.413 -0.197 -5.391 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.805 2.232 -5.237 1.00 15.00 H new ATOM 292 N LEU A 253 -0.675 0.533 1.989 1.00 15.00 N ATOM 293 CA LEU A 253 -0.280 0.276 3.356 1.00 15.00 C ATOM 294 C LEU A 253 -1.452 0.401 4.318 1.00 15.00 C ATOM 295 O LEU A 253 -1.931 1.494 4.589 1.00 15.00 O ATOM 296 CB LEU A 253 0.808 1.267 3.759 1.00 15.00 C ATOM 297 CG LEU A 253 2.129 0.657 4.212 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.125 1.759 4.512 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.927 -0.218 5.436 1.00 15.00 C ATOM 0 H LEU A 253 -0.913 1.507 1.802 1.00 15.00 H new ATOM 0 HA LEU A 253 0.092 -0.747 3.411 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.005 1.925 2.912 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.423 1.892 4.565 1.00 15.00 H new ATOM 0 HG LEU A 253 2.518 0.031 3.409 1.00 15.00 H new ATOM 0 HD11 LEU A 253 4.068 1.319 4.836 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.291 2.354 3.614 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.733 2.398 5.303 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.883 -0.643 5.741 1.00 15.00 H new ATOM 0 HD22 LEU A 253 1.520 0.383 6.250 1.00 15.00 H new ATOM 0 HD23 LEU A 253 1.232 -1.023 5.197 1.00 15.00 H new ATOM 311 N HIS A 254 -1.928 -0.719 4.808 1.00 15.00 N ATOM 312 CA HIS A 254 -2.898 -0.714 5.891 1.00 15.00 C ATOM 313 C HIS A 254 -2.264 -1.358 7.097 1.00 15.00 C ATOM 314 O HIS A 254 -2.246 -2.587 7.201 1.00 15.00 O ATOM 315 CB HIS A 254 -4.186 -1.472 5.514 1.00 15.00 C ATOM 316 CG HIS A 254 -5.117 -1.740 6.672 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.184 -2.962 7.311 1.00 15.00 N ATOM 318 CD2 HIS A 254 -6.005 -0.940 7.311 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.061 -2.901 8.296 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.575 -1.688 8.315 1.00 15.00 N ATOM 0 H HIS A 254 -1.663 -1.647 4.478 1.00 15.00 H new ATOM 0 HA HIS A 254 -3.180 0.317 6.103 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.722 -0.898 4.759 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -3.912 -2.423 5.057 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -6.224 0.091 7.076 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.313 -3.706 8.970 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -7.283 -1.356 8.970 1.00 15.00 H new ATOM 329 N THR A 255 -1.695 -0.580 7.997 1.00 15.00 N ATOM 330 CA THR A 255 -1.085 -1.224 9.119 1.00 15.00 C ATOM 331 C THR A 255 -2.055 -1.297 10.279 1.00 15.00 C ATOM 332 O THR A 255 -2.140 -0.405 11.121 1.00 15.00 O ATOM 333 CB THR A 255 0.192 -0.482 9.564 1.00 15.00 C ATOM 334 OG1 THR A 255 1.056 -0.284 8.442 1.00 15.00 O ATOM 335 CG2 THR A 255 0.935 -1.260 10.642 1.00 15.00 C ATOM 0 H THR A 255 -1.647 0.439 7.972 1.00 15.00 H new ATOM 0 HA THR A 255 -0.812 -2.233 8.810 1.00 15.00 H new ATOM 0 HB THR A 255 -0.106 0.482 9.977 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.864 0.189 8.731 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.830 -0.712 10.935 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.288 -1.388 11.510 1.00 15.00 H new ATOM 0 HG23 THR A 255 1.219 -2.238 10.254 1.00 15.00 H new ATOM 343 N GLN A 256 -2.813 -2.373 10.255 1.00 15.00 N ATOM 344 CA GLN A 256 -3.282 -3.059 11.429 1.00 15.00 C ATOM 345 C GLN A 256 -2.382 -4.267 11.592 1.00 15.00 C ATOM 346 O GLN A 256 -1.804 -4.526 12.646 1.00 15.00 O ATOM 347 CB GLN A 256 -4.738 -3.491 11.257 1.00 15.00 C ATOM 348 CG GLN A 256 -5.285 -4.280 12.431 1.00 15.00 C ATOM 349 CD GLN A 256 -6.706 -4.750 12.207 1.00 15.00 C ATOM 350 OE1 GLN A 256 -7.116 -5.021 11.079 1.00 15.00 O ATOM 351 NE2 GLN A 256 -7.464 -4.851 13.284 1.00 15.00 N ATOM 0 H GLN A 256 -3.127 -2.804 9.386 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.247 -2.414 12.307 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.355 -2.605 11.108 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -4.824 -4.095 10.354 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -4.645 -5.144 12.613 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -5.248 -3.662 13.328 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -7.082 -4.616 14.200 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -8.431 -5.164 13.200 1.00 15.00 H new ATOM 360 N THR A 257 -2.281 -4.988 10.475 1.00 15.00 N ATOM 361 CA THR A 257 -1.517 -6.211 10.374 1.00 15.00 C ATOM 362 C THR A 257 -0.190 -5.995 9.746 1.00 15.00 C ATOM 363 O THR A 257 0.735 -6.807 9.764 1.00 15.00 O ATOM 364 CB THR A 257 -2.322 -7.319 9.679 1.00 15.00 C ATOM 365 OG1 THR A 257 -2.628 -6.907 8.337 1.00 15.00 O ATOM 366 CG2 THR A 257 -3.624 -7.574 10.428 1.00 15.00 C ATOM 0 H THR A 257 -2.741 -4.725 9.603 1.00 15.00 H new ATOM 0 HA THR A 257 -1.317 -6.552 11.390 1.00 15.00 H new ATOM 0 HB THR A 257 -1.730 -8.234 9.668 1.00 15.00 H new ATOM 0 HG1 THR A 257 -3.140 -7.611 7.887 1.00 15.00 H new ATOM 0 HG21 THR A 257 -4.185 -8.362 9.925 1.00 15.00 H new ATOM 0 HG22 THR A 257 -3.402 -7.883 11.449 1.00 15.00 H new ATOM 0 HG23 THR A 257 -4.218 -6.660 10.446 1.00 15.00 H new ATOM 374 N GLY A 258 -0.181 -4.875 9.217 1.00 15.00 N ATOM 375 CA GLY A 258 0.872 -4.412 8.342 1.00 15.00 C ATOM 376 C GLY A 258 0.677 -4.892 6.919 1.00 15.00 C ATOM 377 O GLY A 258 1.344 -5.826 6.474 1.00 15.00 O ATOM 0 H GLY A 258 -0.922 -4.189 9.360 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.903 -3.323 8.356 1.00 15.00 H new ATOM 0 HA3 GLY A 258 1.834 -4.763 8.715 1.00 15.00 H new ATOM 381 N VAL A 259 -0.249 -4.263 6.212 1.00 15.00 N ATOM 382 CA VAL A 259 -0.482 -4.591 4.805 1.00 15.00 C ATOM 383 C VAL A 259 0.388 -3.762 3.885 1.00 15.00 C ATOM 384 O VAL A 259 0.384 -2.537 3.932 1.00 15.00 O ATOM 385 CB VAL A 259 -1.959 -4.405 4.367 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.102 -4.502 2.853 1.00 15.00 C ATOM 387 CG2 VAL A 259 -2.822 -5.459 5.022 1.00 15.00 C ATOM 0 H VAL A 259 -0.850 -3.527 6.582 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.224 -5.647 4.721 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.282 -3.412 4.680 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.148 -4.368 2.577 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.499 -3.726 2.380 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -1.761 -5.481 2.517 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -3.858 -5.325 4.712 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -2.478 -6.449 4.721 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -2.752 -5.364 6.106 1.00 15.00 H new ATOM 397 N SER A 260 1.133 -4.469 3.062 1.00 15.00 N ATOM 398 CA SER A 260 1.900 -3.874 1.977 1.00 15.00 C ATOM 399 C SER A 260 1.695 -4.716 0.726 1.00 15.00 C ATOM 400 O SER A 260 2.317 -5.762 0.564 1.00 15.00 O ATOM 401 CB SER A 260 3.389 -3.781 2.330 1.00 15.00 C ATOM 402 OG SER A 260 3.824 -4.956 3.001 1.00 15.00 O ATOM 0 H SER A 260 1.227 -5.483 3.124 1.00 15.00 H new ATOM 0 HA SER A 260 1.550 -2.856 1.804 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.974 -3.638 1.422 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.564 -2.910 2.962 1.00 15.00 H new ATOM 0 HG SER A 260 3.524 -5.746 2.505 1.00 15.00 H new ATOM 408 N THR A 261 0.782 -4.286 -0.126 1.00 15.00 N ATOM 409 CA THR A 261 0.354 -5.109 -1.245 1.00 15.00 C ATOM 410 C THR A 261 0.277 -4.314 -2.542 1.00 15.00 C ATOM 411 O THR A 261 0.054 -3.097 -2.532 1.00 15.00 O ATOM 412 CB THR A 261 -1.013 -5.767 -0.956 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.373 -6.652 -2.024 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.101 -4.717 -0.771 1.00 15.00 C ATOM 0 H THR A 261 0.324 -3.377 -0.066 1.00 15.00 H new ATOM 0 HA THR A 261 1.107 -5.887 -1.369 1.00 15.00 H new ATOM 0 HB THR A 261 -0.921 -6.335 -0.030 1.00 15.00 H new ATOM 0 HG1 THR A 261 -2.348 -6.661 -2.127 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.052 -5.210 -0.569 1.00 15.00 H new ATOM 0 HG22 THR A 261 -1.843 -4.069 0.067 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.188 -4.119 -1.678 1.00 15.00 H new ATOM 422 N TRP A 262 0.506 -5.009 -3.650 1.00 15.00 N ATOM 423 CA TRP A 262 0.415 -4.413 -4.971 1.00 15.00 C ATOM 424 C TRP A 262 -1.028 -4.133 -5.368 1.00 15.00 C ATOM 425 O TRP A 262 -1.299 -3.204 -6.130 1.00 15.00 O ATOM 426 CB TRP A 262 1.036 -5.329 -6.021 1.00 15.00 C ATOM 427 CG TRP A 262 2.526 -5.407 -5.967 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.292 -6.519 -5.817 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.432 -4.327 -5.973 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.600 -6.221 -5.880 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.722 -4.889 -5.943 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.299 -2.943 -6.033 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.848 -4.138 -5.961 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.444 -2.194 -6.006 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.691 -2.812 -5.973 1.00 15.00 C ATOM 0 H TRP A 262 0.759 -5.997 -3.655 1.00 15.00 H new ATOM 0 HA TRP A 262 0.960 -3.470 -4.926 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.627 -6.332 -5.898 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.738 -4.982 -7.010 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.900 -7.514 -5.667 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.367 -6.893 -5.880 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.327 -2.477 -6.099 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.829 -4.591 -5.965 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 4.380 -1.116 -6.010 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.573 -2.189 -5.956 1.00 15.00 H new ATOM 446 N HIS A 263 -1.955 -4.951 -4.886 1.00 15.00 N ATOM 447 CA HIS A 263 -3.339 -4.823 -5.316 1.00 15.00 C ATOM 448 C HIS A 263 -4.019 -3.693 -4.562 1.00 15.00 C ATOM 449 O HIS A 263 -3.925 -3.607 -3.334 1.00 15.00 O ATOM 450 CB HIS A 263 -4.120 -6.147 -5.139 1.00 15.00 C ATOM 451 CG HIS A 263 -4.733 -6.360 -3.776 1.00 15.00 C ATOM 452 ND1 HIS A 263 -4.246 -6.968 -2.669 1.00 15.00 N flip ATOM 453 CD2 HIS A 263 -6.000 -5.916 -3.438 1.00 15.00 C flip ATOM 454 CE1 HIS A 263 -5.210 -6.878 -1.698 1.00 15.00 C flip ATOM 455 NE2 HIS A 263 -6.255 -6.242 -2.183 1.00 15.00 N flip ATOM 0 H HIS A 263 -1.779 -5.695 -4.211 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.338 -4.588 -6.380 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.914 -6.183 -5.885 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.446 -6.978 -5.349 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -6.673 -5.387 -4.096 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -5.125 -7.267 -0.694 1.00 15.00 H new ATOM 0 HE2 HIS A 263 -7.116 -6.036 -1.676 1.00 15.00 H new ATOM 464 N ASP A 264 -4.684 -2.821 -5.299 1.00 15.00 N ATOM 465 CA ASP A 264 -5.530 -1.810 -4.689 1.00 15.00 C ATOM 466 C ASP A 264 -6.648 -2.524 -3.954 1.00 15.00 C ATOM 467 O ASP A 264 -7.301 -3.392 -4.509 1.00 15.00 O ATOM 468 CB ASP A 264 -6.096 -0.867 -5.759 1.00 15.00 C ATOM 469 CG ASP A 264 -6.795 0.349 -5.180 1.00 15.00 C ATOM 470 OD1 ASP A 264 -7.655 0.182 -4.295 1.00 15.00 O1- ATOM 471 OD2 ASP A 264 -6.479 1.475 -5.614 1.00 15.00 O ATOM 0 H ASP A 264 -4.655 -2.792 -6.318 1.00 15.00 H new ATOM 0 HA ASP A 264 -4.953 -1.202 -3.992 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.285 -0.536 -6.407 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -6.799 -1.418 -6.384 1.00 15.00 H new ATOM 476 N PRO A 265 -6.863 -2.227 -2.683 1.00 15.00 N ATOM 477 CA PRO A 265 -7.890 -2.898 -1.900 1.00 15.00 C ATOM 478 C PRO A 265 -9.295 -2.541 -2.334 1.00 15.00 C ATOM 479 O PRO A 265 -10.263 -3.192 -1.942 1.00 15.00 O ATOM 480 CB PRO A 265 -7.624 -2.449 -0.468 1.00 15.00 C ATOM 481 CG PRO A 265 -6.269 -1.818 -0.502 1.00 15.00 C ATOM 482 CD PRO A 265 -6.112 -1.260 -1.881 1.00 15.00 C ATOM 0 HA PRO A 265 -7.837 -3.980 -2.025 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -8.380 -1.740 -0.130 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -7.648 -3.293 0.221 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -6.185 -1.033 0.249 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.491 -2.551 -0.286 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.522 -0.254 -1.964 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -5.066 -1.203 -2.183 1.00 15.00 H new ATOM 490 N ARG A 266 -9.408 -1.488 -3.109 1.00 15.00 N ATOM 491 CA ARG A 266 -10.678 -1.108 -3.675 1.00 15.00 C ATOM 492 C ARG A 266 -10.952 -1.960 -4.900 1.00 15.00 C ATOM 493 O ARG A 266 -12.022 -1.899 -5.508 1.00 15.00 O ATOM 494 CB ARG A 266 -10.640 0.351 -4.055 1.00 15.00 C ATOM 495 CG ARG A 266 -12.017 0.959 -4.175 1.00 15.00 C ATOM 496 CD ARG A 266 -12.653 1.184 -2.815 1.00 15.00 C ATOM 497 NE ARG A 266 -14.042 1.636 -2.915 1.00 15.00 N ATOM 498 CZ ARG A 266 -14.525 2.707 -2.287 1.00 15.00 C ATOM 499 NH1 ARG A 266 -13.720 3.473 -1.564 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -15.810 3.025 -2.394 1.00 15.00 N ATOM 0 H ARG A 266 -8.631 -0.878 -3.362 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.472 -1.264 -2.945 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.068 0.902 -3.308 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.115 0.461 -5.004 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -11.950 1.908 -4.707 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.653 0.304 -4.770 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.616 0.257 -2.242 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.072 1.923 -2.263 1.00 15.00 H new ATOM 0 HE ARG A 266 -14.679 1.098 -3.502 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -12.729 3.243 -1.488 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -14.091 4.293 -1.084 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -16.433 2.448 -2.959 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -16.174 3.846 -1.911 1.00 15.00 H new ATOM 514 N ILE A 267 -9.951 -2.737 -5.254 1.00 15.00 N ATOM 515 CA ILE A 267 -10.054 -3.665 -6.385 1.00 15.00 C ATOM 516 C ILE A 267 -9.734 -5.106 -5.967 1.00 15.00 C ATOM 517 O ILE A 267 -8.557 -5.430 -5.709 1.00 15.00 O ATOM 518 CB ILE A 267 -9.199 -3.250 -7.623 1.00 15.00 C ATOM 519 CG1 ILE A 267 -7.694 -3.144 -7.315 1.00 15.00 C ATOM 520 CG2 ILE A 267 -9.710 -1.933 -8.190 1.00 15.00 C ATOM 521 CD1 ILE A 267 -6.842 -2.920 -8.546 1.00 15.00 C ATOM 522 OXT ILE A 267 -10.679 -5.919 -5.898 1.00 15.00 O ATOM 0 H ILE A 267 -9.048 -2.752 -4.779 1.00 15.00 H new ATOM 0 HA ILE A 267 -11.096 -3.614 -6.701 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.311 -4.044 -8.361 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.531 -2.324 -6.615 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.367 -4.057 -6.818 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -9.108 -1.651 -9.054 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -10.750 -2.047 -8.495 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -9.638 -1.157 -7.428 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -5.793 -2.855 -8.256 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -6.976 -3.752 -9.238 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -7.142 -1.992 -9.032 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 8.870 2.999 12.663 1.00 15.00 N ATOM 536 CA SER B 210 7.878 3.602 11.747 1.00 15.00 C ATOM 537 C SER B 210 8.188 3.233 10.294 1.00 15.00 C ATOM 538 O SER B 210 7.662 3.844 9.363 1.00 15.00 O ATOM 539 CB SER B 210 7.909 5.122 11.922 1.00 15.00 C ATOM 540 OG SER B 210 7.857 5.475 13.298 1.00 15.00 O ATOM 0 HA SER B 210 6.886 3.220 11.986 1.00 15.00 H new ATOM 0 HB2 SER B 210 8.817 5.525 11.473 1.00 15.00 H new ATOM 0 HB3 SER B 210 7.066 5.570 11.395 1.00 15.00 H new ATOM 0 HG SER B 210 8.209 4.737 13.838 1.00 15.00 H new ATOM 548 N ASP B 211 9.001 2.194 10.110 1.00 15.00 N ATOM 549 CA ASP B 211 9.494 1.825 8.786 1.00 15.00 C ATOM 550 C ASP B 211 8.539 0.841 8.121 1.00 15.00 C ATOM 551 O ASP B 211 8.299 -0.247 8.648 1.00 15.00 O ATOM 552 CB ASP B 211 10.888 1.188 8.894 1.00 15.00 C ATOM 553 CG ASP B 211 11.763 1.859 9.935 1.00 15.00 C ATOM 554 OD1 ASP B 211 12.265 2.969 9.679 1.00 15.00 O1- ATOM 555 OD2 ASP B 211 11.928 1.284 11.034 1.00 15.00 O ATOM 0 H ASP B 211 9.332 1.592 10.864 1.00 15.00 H new ATOM 0 HA ASP B 211 9.558 2.729 8.181 1.00 15.00 H new ATOM 0 HB2 ASP B 211 10.781 0.132 9.142 1.00 15.00 H new ATOM 0 HB3 ASP B 211 11.382 1.239 7.924 1.00 15.00 H new ATOM 560 N PRO B 212 7.970 1.209 6.961 1.00 15.00 N ATOM 561 CA PRO B 212 7.073 0.344 6.204 1.00 15.00 C ATOM 562 C PRO B 212 7.821 -0.523 5.197 1.00 15.00 C ATOM 563 O PRO B 212 8.844 -0.114 4.644 1.00 15.00 O ATOM 564 CB PRO B 212 6.174 1.339 5.453 1.00 15.00 C ATOM 565 CG PRO B 212 6.712 2.706 5.744 1.00 15.00 C ATOM 566 CD PRO B 212 8.095 2.513 6.312 1.00 15.00 C ATOM 0 HA PRO B 212 6.536 -0.348 6.853 1.00 15.00 H new ATOM 0 HB2 PRO B 212 6.185 1.138 4.382 1.00 15.00 H new ATOM 0 HB3 PRO B 212 5.139 1.252 5.783 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.746 3.310 4.837 1.00 15.00 H new ATOM 0 HG3 PRO B 212 6.072 3.231 6.453 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.860 2.512 5.535 1.00 15.00 H new ATOM 0 HD3 PRO B 212 8.360 3.299 7.020 1.00 15.00 H new ATOM 574 N GLY B 213 7.284 -1.705 4.941 1.00 15.00 N ATOM 575 CA GLY B 213 7.907 -2.618 4.009 1.00 15.00 C ATOM 576 C GLY B 213 7.425 -2.417 2.586 1.00 15.00 C ATOM 577 O GLY B 213 6.245 -2.149 2.347 1.00 15.00 O ATOM 0 H GLY B 213 6.423 -2.049 5.365 1.00 15.00 H new ATOM 0 HA2 GLY B 213 8.988 -2.486 4.045 1.00 15.00 H new ATOM 0 HA3 GLY B 213 7.701 -3.643 4.317 1.00 15.00 H new HETATM 581 N SEP B 214 8.345 -2.533 1.648 1.00 15.00 N HETATM 582 CA SEP B 214 8.048 -2.367 0.238 1.00 15.00 C HETATM 583 CB SEP B 214 9.241 -1.735 -0.485 1.00 15.00 C HETATM 584 OG SEP B 214 10.148 -1.159 0.444 1.00 15.00 O HETATM 585 C SEP B 214 7.653 -3.709 -0.400 1.00 15.00 C HETATM 586 O SEP B 214 7.974 -4.779 0.122 1.00 15.00 O HETATM 587 P SEP B 214 11.759 -1.343 0.371 1.00 15.00 P HETATM 588 O1P SEP B 214 12.304 -0.318 -0.526 1.00 15.00 O HETATM 589 O2P SEP B 214 12.306 -1.170 1.720 1.00 15.00 O HETATM 590 O3P SEP B 214 12.060 -2.686 -0.134 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.754 -2.491 -1.079 1.00 15.00 H new HETATM 0 HB2 SEP B 214 8.889 -0.971 -1.177 1.00 15.00 H new HETATM 0 HA SEP B 214 7.196 -1.694 0.138 1.00 15.00 H new HETATM 0 H SEP B 214 9.250 -2.240 2.017 1.00 15.00 H new ATOM 595 N PRO B 215 6.984 -3.655 -1.560 1.00 15.00 N ATOM 596 CA PRO B 215 6.393 -4.829 -2.230 1.00 15.00 C ATOM 597 C PRO B 215 7.372 -5.535 -3.168 1.00 15.00 C ATOM 598 O PRO B 215 8.131 -4.893 -3.899 1.00 15.00 O ATOM 599 CB PRO B 215 5.373 -4.176 -3.172 1.00 15.00 C ATOM 600 CG PRO B 215 5.238 -2.781 -2.717 1.00 15.00 C ATOM 601 CD PRO B 215 6.587 -2.421 -2.213 1.00 15.00 C ATOM 0 HA PRO B 215 6.036 -5.551 -1.495 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.714 -4.218 -4.206 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.415 -4.695 -3.131 1.00 15.00 H new ATOM 0 HG2 PRO B 215 4.931 -2.126 -3.532 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.485 -2.690 -1.934 1.00 15.00 H new ATOM 0 HD2 PRO B 215 7.267 -2.145 -3.019 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.556 -1.580 -1.520 1.00 15.00 H new ATOM 609 N PHE B 216 7.337 -6.856 -3.140 1.00 15.00 N ATOM 610 CA PHE B 216 8.129 -7.671 -4.048 1.00 15.00 C ATOM 611 C PHE B 216 7.269 -8.068 -5.240 1.00 15.00 C ATOM 612 O PHE B 216 6.169 -8.589 -5.063 1.00 15.00 O ATOM 613 CB PHE B 216 8.639 -8.924 -3.330 1.00 15.00 C ATOM 614 CG PHE B 216 9.397 -8.630 -2.064 1.00 15.00 C ATOM 615 CD1 PHE B 216 10.718 -8.218 -2.110 1.00 15.00 C ATOM 616 CD2 PHE B 216 8.785 -8.770 -0.826 1.00 15.00 C ATOM 617 CE1 PHE B 216 11.415 -7.948 -0.946 1.00 15.00 C ATOM 618 CE2 PHE B 216 9.477 -8.501 0.339 1.00 15.00 C ATOM 619 CZ PHE B 216 10.793 -8.089 0.279 1.00 15.00 C ATOM 0 H PHE B 216 6.762 -7.393 -2.491 1.00 15.00 H new ATOM 0 HA PHE B 216 8.989 -7.096 -4.392 1.00 15.00 H new ATOM 0 HB2 PHE B 216 7.791 -9.567 -3.094 1.00 15.00 H new ATOM 0 HB3 PHE B 216 9.284 -9.483 -4.008 1.00 15.00 H new ATOM 0 HD1 PHE B 216 11.210 -8.106 -3.065 1.00 15.00 H new ATOM 0 HD2 PHE B 216 7.756 -9.093 -0.773 1.00 15.00 H new ATOM 0 HE1 PHE B 216 12.445 -7.627 -0.995 1.00 15.00 H new ATOM 0 HE2 PHE B 216 8.989 -8.613 1.296 1.00 15.00 H new ATOM 0 HZ PHE B 216 11.335 -7.877 1.189 1.00 15.00 H new ATOM 629 N GLN B 217 7.755 -7.813 -6.445 1.00 15.00 N ATOM 630 CA GLN B 217 6.994 -8.106 -7.652 1.00 15.00 C ATOM 631 C GLN B 217 7.017 -9.600 -7.968 1.00 15.00 C ATOM 632 O GLN B 217 5.957 -10.247 -7.854 1.00 15.00 O ATOM 633 CB GLN B 217 7.520 -7.289 -8.837 1.00 15.00 C ATOM 634 CG GLN B 217 9.027 -7.377 -9.040 1.00 15.00 C ATOM 635 CD GLN B 217 9.474 -6.709 -10.323 1.00 15.00 C ATOM 636 OE1 GLN B 217 9.790 -5.519 -10.343 1.00 15.00 O ATOM 637 NE2 GLN B 217 9.502 -7.472 -11.403 1.00 15.00 N ATOM 638 OXT GLN B 217 8.095 -10.127 -8.307 1.00 15.00 O ATOM 0 H GLN B 217 8.674 -7.403 -6.614 1.00 15.00 H new ATOM 0 HA GLN B 217 5.958 -7.819 -7.474 1.00 15.00 H new ATOM 0 HB2 GLN B 217 7.022 -7.627 -9.746 1.00 15.00 H new ATOM 0 HB3 GLN B 217 7.245 -6.244 -8.693 1.00 15.00 H new ATOM 0 HG2 GLN B 217 9.533 -6.911 -8.195 1.00 15.00 H new ATOM 0 HG3 GLN B 217 9.329 -8.424 -9.054 1.00 15.00 H new ATOM 0 HE21 GLN B 217 9.232 -8.454 -11.341 1.00 15.00 H new ATOM 0 HE22 GLN B 217 9.794 -7.079 -12.298 1.00 15.00 H new TER 647 GLN B 217