USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 364 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 238 CYS SG : rot -92:sc= 0.635 USER MOD Set 1.2: A 243 CYS SG : rot -128:sc= 0.833 USER MOD Set 1.3: A 265 CYS SG : rot -126:sc= 0.112 USER MOD Set 1.4: A 268 CYS SG : rot 146:sc= 0.316 USER MOD Set 2.1: A 262 THR OG1 : rot 40:sc= 0.358 USER MOD Set 2.2: A 264 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 228 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.3) USER MOD Set 3.2: A 245 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 225 CYS SG : rot 64:sc= 1.06 USER MOD Set 4.2: A 227 CYS SG : rot -63:sc= 0.0124 USER MOD Set 4.3: A 231 SER OG : rot -36:sc= 0.47 USER MOD Set 4.4: A 249 HIS : no HD1:sc= -2.53! C(o=-0.75!,f=-3.9!) USER MOD Set 4.5: A 252 CYS SG : rot -151:sc= 0.236 USER MOD Single : A 224 TYR OH : rot 180:sc= 0 USER MOD Single : A 235 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 242 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 244 LYS NZ :NH3+ 164:sc= -0.0319 (180deg=-0.268) USER MOD Single : A 250 TYR OH : rot 30:sc= -0.174 USER MOD Single : A 254 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.065) USER MOD Single : A 256 LYS NZ :NH3+ -153:sc= 0.702 (180deg=0.209) USER MOD Single : A 260 LYS NZ :NH3+ -167:sc= -0.0334 (180deg=-0.217) USER MOD Single : A 269 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0256) USER MOD ----------------------------------------------------------------- ATOM 17 N LEU A 223 0.789 -2.044 -3.829 1.00 0.00 N ATOM 18 CA LEU A 223 0.584 -2.959 -4.968 1.00 0.00 C ATOM 19 C LEU A 223 0.979 -2.262 -6.283 1.00 0.00 C ATOM 20 O LEU A 223 0.184 -1.514 -6.870 1.00 0.00 O ATOM 21 CB LEU A 223 -0.904 -3.423 -5.027 1.00 0.00 C ATOM 22 CG LEU A 223 -1.264 -4.452 -6.148 1.00 0.00 C ATOM 23 CD1 LEU A 223 -0.535 -5.789 -5.928 1.00 0.00 C ATOM 24 CD2 LEU A 223 -2.793 -4.659 -6.261 1.00 0.00 C ATOM 0 HA LEU A 223 1.216 -3.837 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 223 -1.164 -3.861 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 223 -1.532 -2.542 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 223 -0.922 -4.037 -7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 223 -0.804 -6.485 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 223 0.542 -5.623 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 223 -0.826 -6.208 -4.965 1.00 0.00 H new ATOM 0 HD21 LEU A 223 -3.005 -5.380 -7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 223 -3.181 -5.033 -5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 223 -3.272 -3.709 -6.499 1.00 0.00 H new ATOM 36 N TYR A 224 2.238 -2.468 -6.703 1.00 0.00 N ATOM 37 CA TYR A 224 2.743 -2.012 -8.009 1.00 0.00 C ATOM 38 C TYR A 224 3.561 -3.136 -8.656 1.00 0.00 C ATOM 39 O TYR A 224 4.496 -3.650 -8.035 1.00 0.00 O ATOM 40 CB TYR A 224 3.629 -0.744 -7.884 1.00 0.00 C ATOM 41 CG TYR A 224 2.889 0.498 -7.379 1.00 0.00 C ATOM 42 CD1 TYR A 224 1.883 1.095 -8.148 1.00 0.00 C ATOM 43 CD2 TYR A 224 3.176 1.070 -6.134 1.00 0.00 C ATOM 44 CE1 TYR A 224 1.203 2.210 -7.698 1.00 0.00 C ATOM 45 CE2 TYR A 224 2.493 2.182 -5.685 1.00 0.00 C ATOM 46 CZ TYR A 224 1.509 2.749 -6.469 1.00 0.00 C ATOM 47 OH TYR A 224 0.821 3.855 -6.016 1.00 0.00 O ATOM 0 H TYR A 224 2.937 -2.957 -6.144 1.00 0.00 H new ATOM 0 HA TYR A 224 1.882 -1.757 -8.626 1.00 0.00 H new ATOM 0 HB2 TYR A 224 4.456 -0.959 -7.208 1.00 0.00 H new ATOM 0 HB3 TYR A 224 4.064 -0.522 -8.859 1.00 0.00 H new ATOM 0 HD1 TYR A 224 1.634 0.676 -9.112 1.00 0.00 H new ATOM 0 HD2 TYR A 224 3.945 0.634 -5.514 1.00 0.00 H new ATOM 0 HE1 TYR A 224 0.433 2.658 -8.309 1.00 0.00 H new ATOM 0 HE2 TYR A 224 2.728 2.608 -4.721 1.00 0.00 H new ATOM 0 HH TYR A 224 1.157 4.110 -5.131 1.00 0.00 H new ATOM 57 N CYS A 225 3.165 -3.519 -9.884 1.00 0.00 N ATOM 58 CA CYS A 225 3.897 -4.458 -10.762 1.00 0.00 C ATOM 59 C CYS A 225 3.031 -4.792 -11.983 1.00 0.00 C ATOM 60 O CYS A 225 1.808 -4.654 -11.914 1.00 0.00 O ATOM 61 CB CYS A 225 4.274 -5.763 -10.049 1.00 0.00 C ATOM 62 SG CYS A 225 5.364 -6.814 -11.023 1.00 0.00 S ATOM 0 H CYS A 225 2.303 -3.175 -10.307 1.00 0.00 H new ATOM 0 HA CYS A 225 4.822 -3.965 -11.060 1.00 0.00 H new ATOM 0 HB2 CYS A 225 4.760 -5.525 -9.103 1.00 0.00 H new ATOM 0 HB3 CYS A 225 3.365 -6.315 -9.811 1.00 0.00 H new ATOM 0 HG CYS A 225 6.498 -6.207 -11.211 1.00 0.00 H new ATOM 67 N PHE A 226 3.649 -5.257 -13.088 1.00 0.00 N ATOM 68 CA PHE A 226 2.896 -5.667 -14.292 1.00 0.00 C ATOM 69 C PHE A 226 2.046 -6.928 -14.009 1.00 0.00 C ATOM 70 O PHE A 226 0.888 -7.005 -14.421 1.00 0.00 O ATOM 71 CB PHE A 226 3.834 -5.894 -15.501 1.00 0.00 C ATOM 72 CG PHE A 226 3.088 -6.202 -16.807 1.00 0.00 C ATOM 73 CD1 PHE A 226 2.460 -5.182 -17.529 1.00 0.00 C ATOM 74 CD2 PHE A 226 3.002 -7.506 -17.308 1.00 0.00 C ATOM 75 CE1 PHE A 226 1.775 -5.459 -18.700 1.00 0.00 C ATOM 76 CE2 PHE A 226 2.313 -7.777 -18.476 1.00 0.00 C ATOM 77 CZ PHE A 226 1.705 -6.755 -19.174 1.00 0.00 C ATOM 0 H PHE A 226 4.661 -5.358 -13.172 1.00 0.00 H new ATOM 0 HA PHE A 226 2.221 -4.851 -14.549 1.00 0.00 H new ATOM 0 HB2 PHE A 226 4.450 -5.006 -15.645 1.00 0.00 H new ATOM 0 HB3 PHE A 226 4.511 -6.718 -15.276 1.00 0.00 H new ATOM 0 HD1 PHE A 226 2.510 -4.165 -17.169 1.00 0.00 H new ATOM 0 HD2 PHE A 226 3.481 -8.313 -16.774 1.00 0.00 H new ATOM 0 HE1 PHE A 226 1.294 -4.660 -19.244 1.00 0.00 H new ATOM 0 HE2 PHE A 226 2.251 -8.791 -18.842 1.00 0.00 H new ATOM 0 HZ PHE A 226 1.175 -6.967 -20.090 1.00 0.00 H new ATOM 87 N CYS A 227 2.630 -7.902 -13.276 1.00 0.00 N ATOM 88 CA CYS A 227 1.907 -9.130 -12.861 1.00 0.00 C ATOM 89 C CYS A 227 0.880 -8.803 -11.752 1.00 0.00 C ATOM 90 O CYS A 227 0.029 -9.641 -11.430 1.00 0.00 O ATOM 91 CB CYS A 227 2.883 -10.237 -12.356 1.00 0.00 C ATOM 92 SG CYS A 227 3.443 -10.045 -10.622 1.00 0.00 S ATOM 0 H CYS A 227 3.599 -7.864 -12.959 1.00 0.00 H new ATOM 0 HA CYS A 227 1.388 -9.510 -13.741 1.00 0.00 H new ATOM 0 HB2 CYS A 227 2.394 -11.206 -12.459 1.00 0.00 H new ATOM 0 HB3 CYS A 227 3.759 -10.252 -13.005 1.00 0.00 H new ATOM 0 HG CYS A 227 4.116 -8.939 -10.503 1.00 0.00 H new ATOM 97 N GLN A 228 0.969 -7.555 -11.199 1.00 0.00 N ATOM 98 CA GLN A 228 0.190 -7.092 -10.037 1.00 0.00 C ATOM 99 C GLN A 228 0.361 -8.053 -8.847 1.00 0.00 C ATOM 100 O GLN A 228 -0.373 -9.034 -8.699 1.00 0.00 O ATOM 101 CB GLN A 228 -1.303 -6.851 -10.397 1.00 0.00 C ATOM 102 CG GLN A 228 -1.543 -5.645 -11.341 1.00 0.00 C ATOM 103 CD GLN A 228 -1.117 -4.291 -10.743 1.00 0.00 C ATOM 104 OE1 GLN A 228 -1.134 -4.094 -9.528 1.00 0.00 O ATOM 105 NE2 GLN A 228 -0.731 -3.348 -11.596 1.00 0.00 N ATOM 0 H GLN A 228 1.599 -6.841 -11.564 1.00 0.00 H new ATOM 0 HA GLN A 228 0.586 -6.124 -9.732 1.00 0.00 H new ATOM 0 HB2 GLN A 228 -1.702 -7.750 -10.867 1.00 0.00 H new ATOM 0 HB3 GLN A 228 -1.866 -6.695 -9.477 1.00 0.00 H new ATOM 0 HG2 GLN A 228 -0.997 -5.809 -12.270 1.00 0.00 H new ATOM 0 HG3 GLN A 228 -2.602 -5.601 -11.597 1.00 0.00 H new ATOM 0 HE21 GLN A 228 -0.726 -3.538 -12.598 1.00 0.00 H new ATOM 0 HE22 GLN A 228 -0.439 -2.434 -11.249 1.00 0.00 H new ATOM 114 N ARG A 229 1.390 -7.773 -8.048 1.00 0.00 N ATOM 115 CA ARG A 229 1.767 -8.578 -6.882 1.00 0.00 C ATOM 116 C ARG A 229 2.484 -7.671 -5.881 1.00 0.00 C ATOM 117 O ARG A 229 3.169 -6.719 -6.285 1.00 0.00 O ATOM 118 CB ARG A 229 2.684 -9.760 -7.317 1.00 0.00 C ATOM 119 CG ARG A 229 3.070 -10.778 -6.210 1.00 0.00 C ATOM 120 CD ARG A 229 1.940 -11.768 -5.846 1.00 0.00 C ATOM 121 NE ARG A 229 0.725 -11.112 -5.318 1.00 0.00 N ATOM 122 CZ ARG A 229 0.376 -11.036 -4.026 1.00 0.00 C ATOM 123 NH1 ARG A 229 1.142 -11.559 -3.073 1.00 0.00 N ATOM 124 NH2 ARG A 229 -0.745 -10.428 -3.692 1.00 0.00 N ATOM 0 H ARG A 229 1.997 -6.966 -8.194 1.00 0.00 H new ATOM 0 HA ARG A 229 0.878 -9.004 -6.416 1.00 0.00 H new ATOM 0 HB2 ARG A 229 2.185 -10.302 -8.120 1.00 0.00 H new ATOM 0 HB3 ARG A 229 3.601 -9.345 -7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 229 3.942 -11.343 -6.538 1.00 0.00 H new ATOM 0 HG3 ARG A 229 3.363 -10.231 -5.314 1.00 0.00 H new ATOM 0 HD2 ARG A 229 1.675 -12.345 -6.732 1.00 0.00 H new ATOM 0 HD3 ARG A 229 2.313 -12.475 -5.104 1.00 0.00 H new ATOM 0 HE ARG A 229 0.098 -10.679 -5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 229 2.013 -12.029 -3.319 1.00 0.00 H new ATOM 0 HH12 ARG A 229 0.858 -11.490 -2.096 1.00 0.00 H new ATOM 0 HH21 ARG A 229 -1.339 -10.020 -4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 229 -1.019 -10.365 -2.711 1.00 0.00 H new ATOM 138 N VAL A 230 2.296 -7.941 -4.585 1.00 0.00 N ATOM 139 CA VAL A 230 3.000 -7.218 -3.517 1.00 0.00 C ATOM 140 C VAL A 230 4.384 -7.845 -3.293 1.00 0.00 C ATOM 141 O VAL A 230 4.570 -9.053 -3.503 1.00 0.00 O ATOM 142 CB VAL A 230 2.175 -7.201 -2.177 1.00 0.00 C ATOM 143 CG1 VAL A 230 0.818 -6.471 -2.375 1.00 0.00 C ATOM 144 CG2 VAL A 230 1.971 -8.633 -1.615 1.00 0.00 C ATOM 0 H VAL A 230 1.657 -8.661 -4.247 1.00 0.00 H new ATOM 0 HA VAL A 230 3.119 -6.181 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 230 2.751 -6.645 -1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 230 0.264 -6.471 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 230 1.000 -5.443 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 230 0.236 -6.986 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 230 1.397 -8.582 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 230 1.431 -9.237 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 230 2.942 -9.087 -1.416 1.00 0.00 H new ATOM 154 N SER A 231 5.348 -7.021 -2.885 1.00 0.00 N ATOM 155 CA SER A 231 6.727 -7.450 -2.653 1.00 0.00 C ATOM 156 C SER A 231 6.870 -8.031 -1.228 1.00 0.00 C ATOM 157 O SER A 231 7.157 -7.299 -0.274 1.00 0.00 O ATOM 158 CB SER A 231 7.658 -6.246 -2.887 1.00 0.00 C ATOM 159 OG SER A 231 7.443 -5.689 -4.178 1.00 0.00 O ATOM 0 H SER A 231 5.193 -6.029 -2.705 1.00 0.00 H new ATOM 0 HA SER A 231 7.006 -8.243 -3.347 1.00 0.00 H new ATOM 0 HB2 SER A 231 7.480 -5.488 -2.124 1.00 0.00 H new ATOM 0 HB3 SER A 231 8.697 -6.559 -2.789 1.00 0.00 H new ATOM 0 HG SER A 231 7.244 -6.407 -4.815 1.00 0.00 H new ATOM 165 N PHE A 232 6.614 -9.352 -1.096 1.00 0.00 N ATOM 166 CA PHE A 232 6.627 -10.063 0.198 1.00 0.00 C ATOM 167 C PHE A 232 8.079 -10.273 0.690 1.00 0.00 C ATOM 168 O PHE A 232 8.738 -11.259 0.334 1.00 0.00 O ATOM 169 CB PHE A 232 5.865 -11.417 0.071 1.00 0.00 C ATOM 170 CG PHE A 232 5.762 -12.217 1.377 1.00 0.00 C ATOM 171 CD1 PHE A 232 4.935 -11.784 2.414 1.00 0.00 C ATOM 172 CD2 PHE A 232 6.496 -13.394 1.572 1.00 0.00 C ATOM 173 CE1 PHE A 232 4.849 -12.494 3.600 1.00 0.00 C ATOM 174 CE2 PHE A 232 6.410 -14.097 2.760 1.00 0.00 C ATOM 175 CZ PHE A 232 5.584 -13.648 3.772 1.00 0.00 C ATOM 0 H PHE A 232 6.392 -9.955 -1.888 1.00 0.00 H new ATOM 0 HA PHE A 232 6.114 -9.455 0.943 1.00 0.00 H new ATOM 0 HB2 PHE A 232 4.859 -11.219 -0.299 1.00 0.00 H new ATOM 0 HB3 PHE A 232 6.365 -12.031 -0.678 1.00 0.00 H new ATOM 0 HD1 PHE A 232 4.354 -10.882 2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 232 7.138 -13.758 0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 232 4.205 -12.143 4.392 1.00 0.00 H new ATOM 0 HE2 PHE A 232 6.989 -14.998 2.897 1.00 0.00 H new ATOM 0 HZ PHE A 232 5.514 -14.200 4.697 1.00 0.00 H new ATOM 185 N GLY A 233 8.578 -9.274 1.437 1.00 0.00 N ATOM 186 CA GLY A 233 9.915 -9.307 2.052 1.00 0.00 C ATOM 187 C GLY A 233 11.070 -9.001 1.088 1.00 0.00 C ATOM 188 O GLY A 233 12.167 -8.645 1.530 1.00 0.00 O ATOM 0 H GLY A 233 8.062 -8.416 1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 233 9.942 -8.587 2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 233 10.075 -10.293 2.489 1.00 0.00 H new ATOM 192 N GLU A 234 10.817 -9.136 -0.224 1.00 0.00 N ATOM 193 CA GLU A 234 11.802 -8.871 -1.284 1.00 0.00 C ATOM 194 C GLU A 234 11.306 -7.698 -2.136 1.00 0.00 C ATOM 195 O GLU A 234 10.510 -7.886 -3.058 1.00 0.00 O ATOM 196 CB GLU A 234 12.024 -10.132 -2.164 1.00 0.00 C ATOM 197 CG GLU A 234 12.523 -11.382 -1.414 1.00 0.00 C ATOM 198 CD GLU A 234 13.875 -11.168 -0.711 1.00 0.00 C ATOM 199 OE1 GLU A 234 14.872 -10.866 -1.407 1.00 0.00 O ATOM 200 OE2 GLU A 234 13.959 -11.324 0.529 1.00 0.00 O ATOM 0 H GLU A 234 9.910 -9.436 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 234 12.760 -8.616 -0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 234 11.085 -10.378 -2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 234 12.743 -9.887 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 234 11.778 -11.675 -0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 234 12.614 -12.208 -2.119 1.00 0.00 H new ATOM 207 N MET A 235 11.762 -6.489 -1.793 1.00 0.00 N ATOM 208 CA MET A 235 11.337 -5.236 -2.439 1.00 0.00 C ATOM 209 C MET A 235 12.548 -4.515 -3.071 1.00 0.00 C ATOM 210 O MET A 235 13.448 -4.031 -2.367 1.00 0.00 O ATOM 211 CB MET A 235 10.591 -4.329 -1.405 1.00 0.00 C ATOM 212 CG MET A 235 11.349 -4.074 -0.096 1.00 0.00 C ATOM 213 SD MET A 235 10.454 -2.992 1.041 1.00 0.00 S ATOM 214 CE MET A 235 11.545 -3.000 2.470 1.00 0.00 C ATOM 0 H MET A 235 12.446 -6.348 -1.049 1.00 0.00 H new ATOM 0 HA MET A 235 10.641 -5.464 -3.246 1.00 0.00 H new ATOM 0 HB2 MET A 235 10.377 -3.369 -1.875 1.00 0.00 H new ATOM 0 HB3 MET A 235 9.632 -4.789 -1.167 1.00 0.00 H new ATOM 0 HG2 MET A 235 11.544 -5.027 0.396 1.00 0.00 H new ATOM 0 HG3 MET A 235 12.318 -3.630 -0.325 1.00 0.00 H new ATOM 0 HE1 MET A 235 11.121 -2.373 3.255 1.00 0.00 H new ATOM 0 HE2 MET A 235 11.653 -4.020 2.839 1.00 0.00 H new ATOM 0 HE3 MET A 235 12.522 -2.612 2.184 1.00 0.00 H new ATOM 224 N VAL A 236 12.599 -4.515 -4.413 1.00 0.00 N ATOM 225 CA VAL A 236 13.548 -3.702 -5.187 1.00 0.00 C ATOM 226 C VAL A 236 12.805 -2.450 -5.698 1.00 0.00 C ATOM 227 O VAL A 236 11.733 -2.549 -6.314 1.00 0.00 O ATOM 228 CB VAL A 236 14.221 -4.523 -6.361 1.00 0.00 C ATOM 229 CG1 VAL A 236 13.185 -5.133 -7.339 1.00 0.00 C ATOM 230 CG2 VAL A 236 15.277 -3.667 -7.103 1.00 0.00 C ATOM 0 H VAL A 236 11.980 -5.082 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 236 14.374 -3.396 -4.544 1.00 0.00 H new ATOM 0 HB VAL A 236 14.734 -5.368 -5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 236 13.705 -5.684 -8.123 1.00 0.00 H new ATOM 0 HG12 VAL A 236 12.526 -5.810 -6.795 1.00 0.00 H new ATOM 0 HG13 VAL A 236 12.594 -4.334 -7.788 1.00 0.00 H new ATOM 0 HG21 VAL A 236 15.724 -4.255 -7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 236 14.798 -2.783 -7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 236 16.053 -3.359 -6.403 1.00 0.00 H new ATOM 240 N ALA A 237 13.363 -1.272 -5.392 1.00 0.00 N ATOM 241 CA ALA A 237 12.717 0.023 -5.646 1.00 0.00 C ATOM 242 C ALA A 237 13.297 0.683 -6.899 1.00 0.00 C ATOM 243 O ALA A 237 14.511 0.655 -7.133 1.00 0.00 O ATOM 244 CB ALA A 237 12.877 0.940 -4.420 1.00 0.00 C ATOM 0 H ALA A 237 14.282 -1.190 -4.958 1.00 0.00 H new ATOM 0 HA ALA A 237 11.654 -0.145 -5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 237 12.395 1.898 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 237 12.412 0.472 -3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 237 13.937 1.101 -4.222 1.00 0.00 H new ATOM 250 N CYS A 238 12.412 1.264 -7.707 1.00 0.00 N ATOM 251 CA CYS A 238 12.780 2.060 -8.878 1.00 0.00 C ATOM 252 C CYS A 238 12.794 3.538 -8.492 1.00 0.00 C ATOM 253 O CYS A 238 12.101 3.949 -7.550 1.00 0.00 O ATOM 254 CB CYS A 238 11.808 1.822 -10.059 1.00 0.00 C ATOM 255 SG CYS A 238 12.109 2.928 -11.488 1.00 0.00 S ATOM 0 H CYS A 238 11.404 1.194 -7.565 1.00 0.00 H new ATOM 0 HA CYS A 238 13.772 1.753 -9.209 1.00 0.00 H new ATOM 0 HB2 CYS A 238 11.894 0.786 -10.387 1.00 0.00 H new ATOM 0 HB3 CYS A 238 10.785 1.962 -9.711 1.00 0.00 H new ATOM 0 HG CYS A 238 11.371 3.992 -11.376 1.00 0.00 H new ATOM 260 N ASP A 239 13.615 4.317 -9.194 1.00 0.00 N ATOM 261 CA ASP A 239 13.697 5.771 -9.037 1.00 0.00 C ATOM 262 C ASP A 239 13.495 6.422 -10.412 1.00 0.00 C ATOM 263 O ASP A 239 14.372 6.360 -11.278 1.00 0.00 O ATOM 264 CB ASP A 239 15.057 6.162 -8.410 1.00 0.00 C ATOM 265 CG ASP A 239 15.255 7.682 -8.271 1.00 0.00 C ATOM 266 OD1 ASP A 239 14.492 8.317 -7.514 1.00 0.00 O ATOM 267 OD2 ASP A 239 16.158 8.249 -8.916 1.00 0.00 O ATOM 0 H ASP A 239 14.253 3.951 -9.900 1.00 0.00 H new ATOM 0 HA ASP A 239 12.918 6.127 -8.363 1.00 0.00 H new ATOM 0 HB2 ASP A 239 15.140 5.701 -7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 239 15.861 5.753 -9.022 1.00 0.00 H new ATOM 272 N GLY A 240 12.303 6.992 -10.616 1.00 0.00 N ATOM 273 CA GLY A 240 11.947 7.708 -11.843 1.00 0.00 C ATOM 274 C GLY A 240 11.168 8.978 -11.534 1.00 0.00 C ATOM 275 O GLY A 240 10.427 8.998 -10.543 1.00 0.00 O ATOM 0 H GLY A 240 11.552 6.968 -9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 240 12.852 7.959 -12.396 1.00 0.00 H new ATOM 0 HA3 GLY A 240 11.351 7.060 -12.485 1.00 0.00 H new ATOM 279 N PRO A 241 11.306 10.067 -12.357 1.00 0.00 N ATOM 280 CA PRO A 241 10.582 11.348 -12.123 1.00 0.00 C ATOM 281 C PRO A 241 9.051 11.201 -12.303 1.00 0.00 C ATOM 282 O PRO A 241 8.262 11.840 -11.595 1.00 0.00 O ATOM 283 CB PRO A 241 11.204 12.304 -13.176 1.00 0.00 C ATOM 284 CG PRO A 241 11.695 11.398 -14.268 1.00 0.00 C ATOM 285 CD PRO A 241 12.182 10.148 -13.568 1.00 0.00 C ATOM 0 HA PRO A 241 10.692 11.712 -11.101 1.00 0.00 H new ATOM 0 HB2 PRO A 241 10.467 13.014 -13.551 1.00 0.00 H new ATOM 0 HB3 PRO A 241 12.019 12.888 -12.749 1.00 0.00 H new ATOM 0 HG2 PRO A 241 10.898 11.167 -14.974 1.00 0.00 H new ATOM 0 HG3 PRO A 241 12.498 11.868 -14.836 1.00 0.00 H new ATOM 0 HD2 PRO A 241 12.077 9.266 -14.200 1.00 0.00 H new ATOM 0 HD3 PRO A 241 13.235 10.223 -13.298 1.00 0.00 H new ATOM 293 N ASN A 242 8.657 10.333 -13.249 1.00 0.00 N ATOM 294 CA ASN A 242 7.251 10.002 -13.524 1.00 0.00 C ATOM 295 C ASN A 242 7.144 8.477 -13.698 1.00 0.00 C ATOM 296 O ASN A 242 7.411 7.941 -14.780 1.00 0.00 O ATOM 297 CB ASN A 242 6.753 10.754 -14.790 1.00 0.00 C ATOM 298 CG ASN A 242 5.243 10.623 -15.054 1.00 0.00 C ATOM 299 OD1 ASN A 242 4.440 10.516 -14.124 1.00 0.00 O ATOM 300 ND2 ASN A 242 4.851 10.637 -16.324 1.00 0.00 N ATOM 0 H ASN A 242 9.314 9.836 -13.851 1.00 0.00 H new ATOM 0 HA ASN A 242 6.617 10.318 -12.695 1.00 0.00 H new ATOM 0 HB2 ASN A 242 7.002 11.811 -14.692 1.00 0.00 H new ATOM 0 HB3 ASN A 242 7.295 10.378 -15.658 1.00 0.00 H new ATOM 0 HD21 ASN A 242 3.860 10.558 -16.553 1.00 0.00 H new ATOM 0 HD22 ASN A 242 5.541 10.727 -17.070 1.00 0.00 H new ATOM 307 N CYS A 243 6.800 7.790 -12.602 1.00 0.00 N ATOM 308 CA CYS A 243 6.781 6.324 -12.525 1.00 0.00 C ATOM 309 C CYS A 243 5.972 5.899 -11.293 1.00 0.00 C ATOM 310 O CYS A 243 6.385 6.158 -10.169 1.00 0.00 O ATOM 311 CB CYS A 243 8.233 5.786 -12.442 1.00 0.00 C ATOM 312 SG CYS A 243 8.404 3.971 -12.303 1.00 0.00 S ATOM 0 H CYS A 243 6.523 8.243 -11.731 1.00 0.00 H new ATOM 0 HA CYS A 243 6.313 5.908 -13.417 1.00 0.00 H new ATOM 0 HB2 CYS A 243 8.774 6.116 -13.329 1.00 0.00 H new ATOM 0 HB3 CYS A 243 8.721 6.245 -11.582 1.00 0.00 H new ATOM 0 HG CYS A 243 9.171 3.683 -11.293 1.00 0.00 H new ATOM 317 N LYS A 244 4.793 5.301 -11.518 1.00 0.00 N ATOM 318 CA LYS A 244 3.937 4.756 -10.432 1.00 0.00 C ATOM 319 C LYS A 244 4.402 3.344 -10.022 1.00 0.00 C ATOM 320 O LYS A 244 4.333 2.978 -8.852 1.00 0.00 O ATOM 321 CB LYS A 244 2.405 4.762 -10.793 1.00 0.00 C ATOM 322 CG LYS A 244 1.953 4.005 -12.071 1.00 0.00 C ATOM 323 CD LYS A 244 2.277 4.767 -13.383 1.00 0.00 C ATOM 324 CE LYS A 244 1.529 4.224 -14.607 1.00 0.00 C ATOM 325 NZ LYS A 244 0.058 4.389 -14.479 1.00 0.00 N ATOM 0 H LYS A 244 4.399 5.177 -12.451 1.00 0.00 H new ATOM 0 HA LYS A 244 4.055 5.425 -9.580 1.00 0.00 H new ATOM 0 HB2 LYS A 244 1.861 4.342 -9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 244 2.089 5.801 -10.891 1.00 0.00 H new ATOM 0 HG2 LYS A 244 2.437 3.029 -12.097 1.00 0.00 H new ATOM 0 HG3 LYS A 244 0.879 3.827 -12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 244 2.028 5.820 -13.253 1.00 0.00 H new ATOM 0 HD3 LYS A 244 3.350 4.713 -13.569 1.00 0.00 H new ATOM 0 HE2 LYS A 244 1.875 4.741 -15.502 1.00 0.00 H new ATOM 0 HE3 LYS A 244 1.765 3.168 -14.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 244 -0.387 4.268 -15.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 244 -0.315 3.675 -13.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 244 -0.154 5.340 -14.115 1.00 0.00 H new ATOM 339 N TYR A 245 4.944 2.594 -10.994 1.00 0.00 N ATOM 340 CA TYR A 245 5.426 1.200 -10.813 1.00 0.00 C ATOM 341 C TYR A 245 6.821 1.119 -10.156 1.00 0.00 C ATOM 342 O TYR A 245 7.575 0.191 -10.441 1.00 0.00 O ATOM 343 CB TYR A 245 5.402 0.447 -12.171 1.00 0.00 C ATOM 344 CG TYR A 245 3.994 0.082 -12.645 1.00 0.00 C ATOM 345 CD1 TYR A 245 3.353 -1.051 -12.149 1.00 0.00 C ATOM 346 CD2 TYR A 245 3.305 0.860 -13.574 1.00 0.00 C ATOM 347 CE1 TYR A 245 2.084 -1.399 -12.563 1.00 0.00 C ATOM 348 CE2 TYR A 245 2.033 0.514 -13.988 1.00 0.00 C ATOM 349 CZ TYR A 245 1.427 -0.617 -13.480 1.00 0.00 C ATOM 350 OH TYR A 245 0.159 -0.974 -13.892 1.00 0.00 O ATOM 0 H TYR A 245 5.065 2.937 -11.947 1.00 0.00 H new ATOM 0 HA TYR A 245 4.741 0.713 -10.119 1.00 0.00 H new ATOM 0 HB2 TYR A 245 5.882 1.066 -12.929 1.00 0.00 H new ATOM 0 HB3 TYR A 245 5.994 -0.464 -12.082 1.00 0.00 H new ATOM 0 HD1 TYR A 245 3.861 -1.670 -11.424 1.00 0.00 H new ATOM 0 HD2 TYR A 245 3.772 1.747 -13.976 1.00 0.00 H new ATOM 0 HE1 TYR A 245 1.609 -2.284 -12.167 1.00 0.00 H new ATOM 0 HE2 TYR A 245 1.513 1.128 -14.709 1.00 0.00 H new ATOM 0 HH TYR A 245 -0.170 -0.319 -14.542 1.00 0.00 H new ATOM 360 N GLU A 246 7.177 2.116 -9.319 1.00 0.00 N ATOM 361 CA GLU A 246 8.464 2.143 -8.590 1.00 0.00 C ATOM 362 C GLU A 246 8.759 0.806 -7.872 1.00 0.00 C ATOM 363 O GLU A 246 9.840 0.233 -8.027 1.00 0.00 O ATOM 364 CB GLU A 246 8.491 3.319 -7.571 1.00 0.00 C ATOM 365 CG GLU A 246 8.330 4.724 -8.204 1.00 0.00 C ATOM 366 CD GLU A 246 9.563 5.255 -8.983 1.00 0.00 C ATOM 367 OE1 GLU A 246 10.009 4.614 -9.954 1.00 0.00 O ATOM 368 OE2 GLU A 246 10.084 6.330 -8.637 1.00 0.00 O ATOM 0 H GLU A 246 6.583 2.923 -9.129 1.00 0.00 H new ATOM 0 HA GLU A 246 9.248 2.294 -9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 246 7.694 3.170 -6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 246 9.433 3.287 -7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 246 7.477 4.702 -8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 246 8.090 5.434 -7.412 1.00 0.00 H new ATOM 375 N TRP A 247 7.768 0.297 -7.140 1.00 0.00 N ATOM 376 CA TRP A 247 7.915 -0.928 -6.347 1.00 0.00 C ATOM 377 C TRP A 247 7.819 -2.193 -7.214 1.00 0.00 C ATOM 378 O TRP A 247 6.921 -2.328 -8.051 1.00 0.00 O ATOM 379 CB TRP A 247 6.875 -0.940 -5.202 1.00 0.00 C ATOM 380 CG TRP A 247 7.146 0.155 -4.202 1.00 0.00 C ATOM 381 CD1 TRP A 247 6.462 1.325 -4.036 1.00 0.00 C ATOM 382 CD2 TRP A 247 8.238 0.190 -3.272 1.00 0.00 C ATOM 383 NE1 TRP A 247 7.046 2.068 -3.040 1.00 0.00 N ATOM 384 CE2 TRP A 247 8.142 1.395 -2.562 1.00 0.00 C ATOM 385 CE3 TRP A 247 9.278 -0.696 -2.964 1.00 0.00 C ATOM 386 CZ2 TRP A 247 9.048 1.747 -1.567 1.00 0.00 C ATOM 387 CZ3 TRP A 247 10.181 -0.347 -1.979 1.00 0.00 C ATOM 388 CH2 TRP A 247 10.060 0.868 -1.291 1.00 0.00 C ATOM 0 H TRP A 247 6.842 0.720 -7.079 1.00 0.00 H new ATOM 0 HA TRP A 247 8.914 -0.933 -5.911 1.00 0.00 H new ATOM 0 HB2 TRP A 247 5.874 -0.817 -5.616 1.00 0.00 H new ATOM 0 HB3 TRP A 247 6.896 -1.907 -4.700 1.00 0.00 H new ATOM 0 HD1 TRP A 247 5.592 1.622 -4.603 1.00 0.00 H new ATOM 0 HE1 TRP A 247 6.718 2.975 -2.708 1.00 0.00 H new ATOM 0 HE3 TRP A 247 9.372 -1.636 -3.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 247 8.956 2.680 -1.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 247 10.991 -1.019 -1.736 1.00 0.00 H new ATOM 0 HH2 TRP A 247 10.781 1.116 -0.526 1.00 0.00 H new ATOM 399 N PHE A 248 8.802 -3.090 -7.021 1.00 0.00 N ATOM 400 CA PHE A 248 8.869 -4.421 -7.643 1.00 0.00 C ATOM 401 C PHE A 248 9.468 -5.436 -6.650 1.00 0.00 C ATOM 402 O PHE A 248 9.934 -5.072 -5.564 1.00 0.00 O ATOM 403 CB PHE A 248 9.706 -4.398 -8.961 1.00 0.00 C ATOM 404 CG PHE A 248 8.941 -3.929 -10.193 1.00 0.00 C ATOM 405 CD1 PHE A 248 8.022 -4.768 -10.804 1.00 0.00 C ATOM 406 CD2 PHE A 248 9.140 -2.668 -10.748 1.00 0.00 C ATOM 407 CE1 PHE A 248 7.329 -4.368 -11.928 1.00 0.00 C ATOM 408 CE2 PHE A 248 8.449 -2.276 -11.874 1.00 0.00 C ATOM 409 CZ PHE A 248 7.542 -3.124 -12.464 1.00 0.00 C ATOM 0 H PHE A 248 9.596 -2.901 -6.409 1.00 0.00 H new ATOM 0 HA PHE A 248 7.854 -4.723 -7.901 1.00 0.00 H new ATOM 0 HB2 PHE A 248 10.569 -3.748 -8.816 1.00 0.00 H new ATOM 0 HB3 PHE A 248 10.091 -5.400 -9.149 1.00 0.00 H new ATOM 0 HD1 PHE A 248 7.846 -5.751 -10.393 1.00 0.00 H new ATOM 0 HD2 PHE A 248 9.844 -1.989 -10.291 1.00 0.00 H new ATOM 0 HE1 PHE A 248 6.616 -5.037 -12.387 1.00 0.00 H new ATOM 0 HE2 PHE A 248 8.621 -1.297 -12.296 1.00 0.00 H new ATOM 0 HZ PHE A 248 7.000 -2.812 -13.345 1.00 0.00 H new ATOM 419 N HIS A 249 9.433 -6.713 -7.047 1.00 0.00 N ATOM 420 CA HIS A 249 9.962 -7.849 -6.264 1.00 0.00 C ATOM 421 C HIS A 249 11.053 -8.547 -7.093 1.00 0.00 C ATOM 422 O HIS A 249 10.901 -8.711 -8.309 1.00 0.00 O ATOM 423 CB HIS A 249 8.812 -8.832 -5.822 1.00 0.00 C ATOM 424 CG HIS A 249 7.544 -8.702 -6.626 1.00 0.00 C ATOM 425 ND1 HIS A 249 6.718 -7.611 -6.554 1.00 0.00 N ATOM 426 CD2 HIS A 249 7.054 -9.467 -7.624 1.00 0.00 C ATOM 427 CE1 HIS A 249 5.794 -7.740 -7.509 1.00 0.00 C ATOM 428 NE2 HIS A 249 5.950 -8.855 -8.211 1.00 0.00 N ATOM 0 H HIS A 249 9.029 -6.998 -7.939 1.00 0.00 H new ATOM 0 HA HIS A 249 10.406 -7.486 -5.337 1.00 0.00 H new ATOM 0 HB2 HIS A 249 9.175 -9.857 -5.901 1.00 0.00 H new ATOM 0 HB3 HIS A 249 8.582 -8.655 -4.771 1.00 0.00 H new ATOM 0 HD2 HIS A 249 7.461 -10.421 -7.925 1.00 0.00 H new ATOM 0 HE1 HIS A 249 5.010 -7.020 -7.689 1.00 0.00 H new ATOM 0 HE2 HIS A 249 5.391 -9.186 -8.997 1.00 0.00 H new ATOM 436 N TYR A 250 12.124 -8.966 -6.393 1.00 0.00 N ATOM 437 CA TYR A 250 13.400 -9.414 -6.989 1.00 0.00 C ATOM 438 C TYR A 250 13.226 -10.550 -8.023 1.00 0.00 C ATOM 439 O TYR A 250 13.669 -10.420 -9.168 1.00 0.00 O ATOM 440 CB TYR A 250 14.379 -9.852 -5.861 1.00 0.00 C ATOM 441 CG TYR A 250 15.070 -8.686 -5.138 1.00 0.00 C ATOM 442 CD1 TYR A 250 14.457 -8.014 -4.080 1.00 0.00 C ATOM 443 CD2 TYR A 250 16.330 -8.241 -5.545 1.00 0.00 C ATOM 444 CE1 TYR A 250 15.079 -6.953 -3.456 1.00 0.00 C ATOM 445 CE2 TYR A 250 16.950 -7.187 -4.920 1.00 0.00 C ATOM 446 CZ TYR A 250 16.321 -6.543 -3.882 1.00 0.00 C ATOM 447 OH TYR A 250 16.936 -5.481 -3.266 1.00 0.00 O ATOM 0 H TYR A 250 12.128 -9.004 -5.374 1.00 0.00 H new ATOM 0 HA TYR A 250 13.813 -8.566 -7.535 1.00 0.00 H new ATOM 0 HB2 TYR A 250 13.830 -10.444 -5.129 1.00 0.00 H new ATOM 0 HB3 TYR A 250 15.142 -10.502 -6.290 1.00 0.00 H new ATOM 0 HD1 TYR A 250 13.480 -8.330 -3.744 1.00 0.00 H new ATOM 0 HD2 TYR A 250 16.826 -8.735 -6.367 1.00 0.00 H new ATOM 0 HE1 TYR A 250 14.593 -6.446 -2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 250 17.929 -6.865 -5.243 1.00 0.00 H new ATOM 0 HH TYR A 250 16.653 -5.438 -2.329 1.00 0.00 H new ATOM 457 N ASP A 251 12.566 -11.644 -7.607 1.00 0.00 N ATOM 458 CA ASP A 251 12.402 -12.867 -8.443 1.00 0.00 C ATOM 459 C ASP A 251 11.657 -12.574 -9.766 1.00 0.00 C ATOM 460 O ASP A 251 11.959 -13.165 -10.811 1.00 0.00 O ATOM 461 CB ASP A 251 11.651 -13.960 -7.638 1.00 0.00 C ATOM 462 CG ASP A 251 11.349 -15.240 -8.453 1.00 0.00 C ATOM 463 OD1 ASP A 251 12.277 -16.043 -8.677 1.00 0.00 O ATOM 464 OD2 ASP A 251 10.182 -15.448 -8.858 1.00 0.00 O ATOM 0 H ASP A 251 12.130 -11.715 -6.688 1.00 0.00 H new ATOM 0 HA ASP A 251 13.399 -13.223 -8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 251 12.246 -14.228 -6.765 1.00 0.00 H new ATOM 0 HB3 ASP A 251 10.713 -13.546 -7.269 1.00 0.00 H new ATOM 469 N CYS A 252 10.705 -11.634 -9.698 1.00 0.00 N ATOM 470 CA CYS A 252 9.839 -11.247 -10.836 1.00 0.00 C ATOM 471 C CYS A 252 10.656 -10.558 -11.950 1.00 0.00 C ATOM 472 O CYS A 252 10.495 -10.851 -13.140 1.00 0.00 O ATOM 473 CB CYS A 252 8.748 -10.315 -10.306 1.00 0.00 C ATOM 474 SG CYS A 252 7.277 -10.119 -11.341 1.00 0.00 S ATOM 0 H CYS A 252 10.507 -11.111 -8.845 1.00 0.00 H new ATOM 0 HA CYS A 252 9.390 -12.137 -11.276 1.00 0.00 H new ATOM 0 HB2 CYS A 252 8.431 -10.682 -9.330 1.00 0.00 H new ATOM 0 HB3 CYS A 252 9.188 -9.330 -10.149 1.00 0.00 H new ATOM 0 HG CYS A 252 6.766 -8.939 -11.150 1.00 0.00 H new ATOM 479 N VAL A 253 11.562 -9.653 -11.529 1.00 0.00 N ATOM 480 CA VAL A 253 12.488 -8.931 -12.434 1.00 0.00 C ATOM 481 C VAL A 253 13.849 -9.670 -12.556 1.00 0.00 C ATOM 482 O VAL A 253 14.845 -9.089 -13.016 1.00 0.00 O ATOM 483 CB VAL A 253 12.707 -7.434 -11.968 1.00 0.00 C ATOM 484 CG1 VAL A 253 11.456 -6.565 -12.248 1.00 0.00 C ATOM 485 CG2 VAL A 253 13.088 -7.362 -10.474 1.00 0.00 C ATOM 0 H VAL A 253 11.675 -9.399 -10.548 1.00 0.00 H new ATOM 0 HA VAL A 253 12.023 -8.911 -13.420 1.00 0.00 H new ATOM 0 HB VAL A 253 13.536 -7.034 -12.552 1.00 0.00 H new ATOM 0 HG11 VAL A 253 11.641 -5.543 -11.916 1.00 0.00 H new ATOM 0 HG12 VAL A 253 11.244 -6.566 -13.317 1.00 0.00 H new ATOM 0 HG13 VAL A 253 10.601 -6.973 -11.708 1.00 0.00 H new ATOM 0 HG21 VAL A 253 13.232 -6.321 -10.185 1.00 0.00 H new ATOM 0 HG22 VAL A 253 12.290 -7.799 -9.874 1.00 0.00 H new ATOM 0 HG23 VAL A 253 14.012 -7.916 -10.307 1.00 0.00 H new ATOM 495 N ASN A 254 13.870 -10.952 -12.106 1.00 0.00 N ATOM 496 CA ASN A 254 15.013 -11.899 -12.265 1.00 0.00 C ATOM 497 C ASN A 254 16.258 -11.474 -11.437 1.00 0.00 C ATOM 498 O ASN A 254 17.326 -12.081 -11.549 1.00 0.00 O ATOM 499 CB ASN A 254 15.358 -12.085 -13.786 1.00 0.00 C ATOM 500 CG ASN A 254 16.272 -13.285 -14.104 1.00 0.00 C ATOM 501 OD1 ASN A 254 15.801 -14.402 -14.314 1.00 0.00 O ATOM 502 ND2 ASN A 254 17.581 -13.059 -14.145 1.00 0.00 N ATOM 0 H ASN A 254 13.080 -11.367 -11.613 1.00 0.00 H new ATOM 0 HA ASN A 254 14.702 -12.863 -11.863 1.00 0.00 H new ATOM 0 HB2 ASN A 254 14.428 -12.198 -14.343 1.00 0.00 H new ATOM 0 HB3 ASN A 254 15.838 -11.176 -14.148 1.00 0.00 H new ATOM 0 HD21 ASN A 254 18.224 -13.822 -14.355 1.00 0.00 H new ATOM 0 HD22 ASN A 254 17.943 -12.122 -13.967 1.00 0.00 H new ATOM 509 N LEU A 255 16.106 -10.446 -10.585 1.00 0.00 N ATOM 510 CA LEU A 255 17.203 -9.923 -9.754 1.00 0.00 C ATOM 511 C LEU A 255 17.507 -10.881 -8.586 1.00 0.00 C ATOM 512 O LEU A 255 16.745 -10.980 -7.630 1.00 0.00 O ATOM 513 CB LEU A 255 16.868 -8.490 -9.244 1.00 0.00 C ATOM 514 CG LEU A 255 16.866 -7.371 -10.338 1.00 0.00 C ATOM 515 CD1 LEU A 255 16.374 -6.023 -9.773 1.00 0.00 C ATOM 516 CD2 LEU A 255 18.262 -7.221 -10.988 1.00 0.00 C ATOM 0 H LEU A 255 15.221 -9.955 -10.453 1.00 0.00 H new ATOM 0 HA LEU A 255 18.101 -9.856 -10.368 1.00 0.00 H new ATOM 0 HB2 LEU A 255 15.887 -8.512 -8.769 1.00 0.00 H new ATOM 0 HB3 LEU A 255 17.589 -8.219 -8.473 1.00 0.00 H new ATOM 0 HG LEU A 255 16.164 -7.678 -11.113 1.00 0.00 H new ATOM 0 HD11 LEU A 255 16.387 -5.271 -10.562 1.00 0.00 H new ATOM 0 HD12 LEU A 255 15.358 -6.136 -9.396 1.00 0.00 H new ATOM 0 HD13 LEU A 255 17.029 -5.708 -8.961 1.00 0.00 H new ATOM 0 HD21 LEU A 255 18.229 -6.436 -11.744 1.00 0.00 H new ATOM 0 HD22 LEU A 255 18.993 -6.958 -10.223 1.00 0.00 H new ATOM 0 HD23 LEU A 255 18.549 -8.163 -11.455 1.00 0.00 H new ATOM 528 N LYS A 256 18.612 -11.627 -8.723 1.00 0.00 N ATOM 529 CA LYS A 256 19.205 -12.440 -7.642 1.00 0.00 C ATOM 530 C LYS A 256 19.685 -11.530 -6.488 1.00 0.00 C ATOM 531 O LYS A 256 19.542 -11.856 -5.305 1.00 0.00 O ATOM 532 CB LYS A 256 20.404 -13.231 -8.242 1.00 0.00 C ATOM 533 CG LYS A 256 21.307 -13.971 -7.238 1.00 0.00 C ATOM 534 CD LYS A 256 22.476 -14.694 -7.943 1.00 0.00 C ATOM 535 CE LYS A 256 23.455 -15.353 -6.964 1.00 0.00 C ATOM 536 NZ LYS A 256 24.112 -14.361 -6.076 1.00 0.00 N ATOM 0 H LYS A 256 19.130 -11.686 -9.600 1.00 0.00 H new ATOM 0 HA LYS A 256 18.464 -13.129 -7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 256 20.012 -13.960 -8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 256 21.022 -12.536 -8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 256 21.703 -13.260 -6.513 1.00 0.00 H new ATOM 0 HG3 LYS A 256 20.714 -14.696 -6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 256 22.074 -15.455 -8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 256 23.017 -13.978 -8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 256 22.922 -16.085 -6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 256 24.216 -15.897 -7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 256 25.039 -14.724 -5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 256 24.241 -13.466 -6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 256 23.517 -14.196 -5.239 1.00 0.00 H new ATOM 550 N GLU A 257 20.208 -10.363 -6.878 1.00 0.00 N ATOM 551 CA GLU A 257 20.912 -9.430 -5.988 1.00 0.00 C ATOM 552 C GLU A 257 20.573 -7.971 -6.384 1.00 0.00 C ATOM 553 O GLU A 257 20.294 -7.706 -7.565 1.00 0.00 O ATOM 554 CB GLU A 257 22.437 -9.738 -6.066 1.00 0.00 C ATOM 555 CG GLU A 257 22.987 -9.890 -7.504 1.00 0.00 C ATOM 556 CD GLU A 257 24.405 -10.482 -7.554 1.00 0.00 C ATOM 557 OE1 GLU A 257 24.556 -11.709 -7.338 1.00 0.00 O ATOM 558 OE2 GLU A 257 25.373 -9.732 -7.813 1.00 0.00 O ATOM 0 H GLU A 257 20.153 -10.032 -7.841 1.00 0.00 H new ATOM 0 HA GLU A 257 20.593 -9.554 -4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 257 22.983 -8.939 -5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 257 22.638 -10.656 -5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 257 22.314 -10.528 -8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 257 22.991 -8.914 -7.989 1.00 0.00 H new ATOM 565 N PRO A 258 20.566 -7.005 -5.398 1.00 0.00 N ATOM 566 CA PRO A 258 20.168 -5.593 -5.653 1.00 0.00 C ATOM 567 C PRO A 258 21.097 -4.872 -6.665 1.00 0.00 C ATOM 568 O PRO A 258 22.321 -5.051 -6.620 1.00 0.00 O ATOM 569 CB PRO A 258 20.223 -4.931 -4.246 1.00 0.00 C ATOM 570 CG PRO A 258 21.138 -5.806 -3.445 1.00 0.00 C ATOM 571 CD PRO A 258 20.927 -7.209 -3.965 1.00 0.00 C ATOM 0 HA PRO A 258 19.183 -5.530 -6.115 1.00 0.00 H new ATOM 0 HB2 PRO A 258 20.602 -3.911 -4.304 1.00 0.00 H new ATOM 0 HB3 PRO A 258 19.232 -4.878 -3.795 1.00 0.00 H new ATOM 0 HG2 PRO A 258 22.177 -5.497 -3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 258 20.906 -5.744 -2.382 1.00 0.00 H new ATOM 0 HD2 PRO A 258 21.828 -7.814 -3.861 1.00 0.00 H new ATOM 0 HD3 PRO A 258 20.134 -7.722 -3.421 1.00 0.00 H new ATOM 579 N PRO A 259 20.516 -4.065 -7.610 1.00 0.00 N ATOM 580 CA PRO A 259 21.294 -3.287 -8.605 1.00 0.00 C ATOM 581 C PRO A 259 22.073 -2.130 -7.949 1.00 0.00 C ATOM 582 O PRO A 259 21.535 -1.428 -7.083 1.00 0.00 O ATOM 583 CB PRO A 259 20.209 -2.761 -9.594 1.00 0.00 C ATOM 584 CG PRO A 259 18.988 -3.574 -9.282 1.00 0.00 C ATOM 585 CD PRO A 259 19.061 -3.854 -7.811 1.00 0.00 C ATOM 0 HA PRO A 259 22.057 -3.889 -9.098 1.00 0.00 H new ATOM 0 HB2 PRO A 259 20.024 -1.696 -9.450 1.00 0.00 H new ATOM 0 HB3 PRO A 259 20.519 -2.893 -10.630 1.00 0.00 H new ATOM 0 HG2 PRO A 259 18.078 -3.029 -9.533 1.00 0.00 H new ATOM 0 HG3 PRO A 259 18.974 -4.499 -9.858 1.00 0.00 H new ATOM 0 HD2 PRO A 259 18.684 -3.021 -7.218 1.00 0.00 H new ATOM 0 HD3 PRO A 259 18.479 -4.733 -7.533 1.00 0.00 H new ATOM 593 N LYS A 260 23.330 -1.938 -8.381 1.00 0.00 N ATOM 594 CA LYS A 260 24.245 -0.940 -7.802 1.00 0.00 C ATOM 595 C LYS A 260 23.816 0.482 -8.234 1.00 0.00 C ATOM 596 O LYS A 260 24.098 0.912 -9.356 1.00 0.00 O ATOM 597 CB LYS A 260 25.706 -1.254 -8.239 1.00 0.00 C ATOM 598 CG LYS A 260 26.797 -0.458 -7.495 1.00 0.00 C ATOM 599 CD LYS A 260 26.857 -0.802 -5.987 1.00 0.00 C ATOM 600 CE LYS A 260 27.990 -0.062 -5.257 1.00 0.00 C ATOM 601 NZ LYS A 260 29.323 -0.369 -5.844 1.00 0.00 N ATOM 0 H LYS A 260 23.742 -2.473 -9.145 1.00 0.00 H new ATOM 0 HA LYS A 260 24.200 -0.986 -6.714 1.00 0.00 H new ATOM 0 HB2 LYS A 260 25.892 -2.318 -8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 260 25.799 -1.057 -9.307 1.00 0.00 H new ATOM 0 HG2 LYS A 260 27.766 -0.663 -7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 260 26.609 0.609 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 260 25.904 -0.549 -5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 260 26.994 -1.877 -5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 260 27.811 1.012 -5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 260 27.985 -0.340 -4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 260 30.070 -0.036 -5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 260 29.415 -1.396 -5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 260 29.417 0.110 -6.762 1.00 0.00 H new ATOM 615 N GLY A 261 23.062 1.162 -7.353 1.00 0.00 N ATOM 616 CA GLY A 261 22.597 2.539 -7.586 1.00 0.00 C ATOM 617 C GLY A 261 21.078 2.622 -7.640 1.00 0.00 C ATOM 618 O GLY A 261 20.386 1.657 -7.282 1.00 0.00 O ATOM 0 H GLY A 261 22.758 0.772 -6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 261 22.968 3.187 -6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 261 23.015 2.910 -8.522 1.00 0.00 H new ATOM 622 N THR A 262 20.555 3.783 -8.077 1.00 0.00 N ATOM 623 CA THR A 262 19.117 3.978 -8.309 1.00 0.00 C ATOM 624 C THR A 262 18.650 3.092 -9.483 1.00 0.00 C ATOM 625 O THR A 262 18.977 3.370 -10.647 1.00 0.00 O ATOM 626 CB THR A 262 18.789 5.484 -8.613 1.00 0.00 C ATOM 627 OG1 THR A 262 19.643 5.968 -9.666 1.00 0.00 O ATOM 628 CG2 THR A 262 18.941 6.383 -7.367 1.00 0.00 C ATOM 0 H THR A 262 21.119 4.609 -8.278 1.00 0.00 H new ATOM 0 HA THR A 262 18.585 3.691 -7.402 1.00 0.00 H new ATOM 0 HB THR A 262 17.746 5.531 -8.925 1.00 0.00 H new ATOM 0 HG1 THR A 262 19.739 5.276 -10.353 1.00 0.00 H new ATOM 0 HG21 THR A 262 18.703 7.414 -7.631 1.00 0.00 H new ATOM 0 HG22 THR A 262 18.261 6.042 -6.587 1.00 0.00 H new ATOM 0 HG23 THR A 262 19.967 6.329 -7.003 1.00 0.00 H new ATOM 636 N TRP A 263 17.908 2.021 -9.162 1.00 0.00 N ATOM 637 CA TRP A 263 17.400 1.078 -10.161 1.00 0.00 C ATOM 638 C TRP A 263 16.308 1.739 -11.001 1.00 0.00 C ATOM 639 O TRP A 263 15.490 2.509 -10.488 1.00 0.00 O ATOM 640 CB TRP A 263 16.855 -0.204 -9.482 1.00 0.00 C ATOM 641 CG TRP A 263 16.288 -1.236 -10.450 1.00 0.00 C ATOM 642 CD1 TRP A 263 16.954 -1.860 -11.473 1.00 0.00 C ATOM 643 CD2 TRP A 263 14.947 -1.747 -10.490 1.00 0.00 C ATOM 644 NE1 TRP A 263 16.127 -2.743 -12.107 1.00 0.00 N ATOM 645 CE2 TRP A 263 14.893 -2.690 -11.529 1.00 0.00 C ATOM 646 CE3 TRP A 263 13.794 -1.507 -9.739 1.00 0.00 C ATOM 647 CZ2 TRP A 263 13.736 -3.391 -11.838 1.00 0.00 C ATOM 648 CZ3 TRP A 263 12.644 -2.200 -10.047 1.00 0.00 C ATOM 649 CH2 TRP A 263 12.624 -3.136 -11.087 1.00 0.00 C ATOM 0 H TRP A 263 17.646 1.788 -8.204 1.00 0.00 H new ATOM 0 HA TRP A 263 18.224 0.793 -10.815 1.00 0.00 H new ATOM 0 HB2 TRP A 263 17.658 -0.665 -8.907 1.00 0.00 H new ATOM 0 HB3 TRP A 263 16.076 0.078 -8.773 1.00 0.00 H new ATOM 0 HD1 TRP A 263 17.985 -1.679 -11.739 1.00 0.00 H new ATOM 0 HE1 TRP A 263 16.390 -3.345 -12.887 1.00 0.00 H new ATOM 0 HE3 TRP A 263 13.804 -0.791 -8.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 263 13.716 -4.111 -12.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 263 11.745 -2.018 -9.477 1.00 0.00 H new ATOM 0 HH2 TRP A 263 11.709 -3.669 -11.301 1.00 0.00 H new ATOM 660 N TYR A 264 16.324 1.456 -12.300 1.00 0.00 N ATOM 661 CA TYR A 264 15.275 1.869 -13.225 1.00 0.00 C ATOM 662 C TYR A 264 14.561 0.608 -13.711 1.00 0.00 C ATOM 663 O TYR A 264 15.198 -0.281 -14.285 1.00 0.00 O ATOM 664 CB TYR A 264 15.868 2.668 -14.420 1.00 0.00 C ATOM 665 CG TYR A 264 16.649 3.925 -14.008 1.00 0.00 C ATOM 666 CD1 TYR A 264 16.004 5.152 -13.835 1.00 0.00 C ATOM 667 CD2 TYR A 264 18.026 3.882 -13.786 1.00 0.00 C ATOM 668 CE1 TYR A 264 16.703 6.284 -13.471 1.00 0.00 C ATOM 669 CE2 TYR A 264 18.729 5.012 -13.418 1.00 0.00 C ATOM 670 CZ TYR A 264 18.063 6.209 -13.259 1.00 0.00 C ATOM 671 OH TYR A 264 18.762 7.344 -12.907 1.00 0.00 O ATOM 0 H TYR A 264 17.075 0.927 -12.745 1.00 0.00 H new ATOM 0 HA TYR A 264 14.570 2.531 -12.722 1.00 0.00 H new ATOM 0 HB2 TYR A 264 16.528 2.013 -14.989 1.00 0.00 H new ATOM 0 HB3 TYR A 264 15.056 2.960 -15.087 1.00 0.00 H new ATOM 0 HD1 TYR A 264 14.937 5.216 -13.989 1.00 0.00 H new ATOM 0 HD2 TYR A 264 18.552 2.946 -13.904 1.00 0.00 H new ATOM 0 HE1 TYR A 264 16.187 7.225 -13.353 1.00 0.00 H new ATOM 0 HE2 TYR A 264 19.795 4.959 -13.255 1.00 0.00 H new ATOM 0 HH TYR A 264 19.710 7.122 -12.793 1.00 0.00 H new ATOM 681 N CYS A 265 13.250 0.513 -13.422 1.00 0.00 N ATOM 682 CA CYS A 265 12.382 -0.560 -13.951 1.00 0.00 C ATOM 683 C CYS A 265 12.427 -0.545 -15.498 1.00 0.00 C ATOM 684 O CYS A 265 12.645 0.537 -16.077 1.00 0.00 O ATOM 685 CB CYS A 265 10.932 -0.366 -13.451 1.00 0.00 C ATOM 686 SG CYS A 265 10.074 1.071 -14.167 1.00 0.00 S ATOM 0 H CYS A 265 12.762 1.174 -12.818 1.00 0.00 H new ATOM 0 HA CYS A 265 12.742 -1.525 -13.594 1.00 0.00 H new ATOM 0 HB2 CYS A 265 10.359 -1.265 -13.678 1.00 0.00 H new ATOM 0 HB3 CYS A 265 10.946 -0.262 -12.366 1.00 0.00 H new ATOM 0 HG CYS A 265 9.621 1.827 -13.211 1.00 0.00 H new ATOM 691 N PRO A 266 12.239 -1.729 -16.194 1.00 0.00 N ATOM 692 CA PRO A 266 12.398 -1.847 -17.678 1.00 0.00 C ATOM 693 C PRO A 266 11.721 -0.711 -18.484 1.00 0.00 C ATOM 694 O PRO A 266 12.240 -0.271 -19.508 1.00 0.00 O ATOM 695 CB PRO A 266 11.760 -3.221 -17.990 1.00 0.00 C ATOM 696 CG PRO A 266 12.014 -4.025 -16.751 1.00 0.00 C ATOM 697 CD PRO A 266 11.884 -3.053 -15.596 1.00 0.00 C ATOM 0 HA PRO A 266 13.444 -1.764 -17.972 1.00 0.00 H new ATOM 0 HB2 PRO A 266 10.693 -3.129 -18.195 1.00 0.00 H new ATOM 0 HB3 PRO A 266 12.215 -3.683 -18.866 1.00 0.00 H new ATOM 0 HG2 PRO A 266 11.296 -4.840 -16.659 1.00 0.00 H new ATOM 0 HG3 PRO A 266 13.006 -4.476 -16.773 1.00 0.00 H new ATOM 0 HD2 PRO A 266 10.872 -3.049 -15.190 1.00 0.00 H new ATOM 0 HD3 PRO A 266 12.555 -3.314 -14.778 1.00 0.00 H new ATOM 705 N GLU A 267 10.606 -0.206 -17.950 1.00 0.00 N ATOM 706 CA GLU A 267 9.816 0.870 -18.569 1.00 0.00 C ATOM 707 C GLU A 267 10.624 2.189 -18.615 1.00 0.00 C ATOM 708 O GLU A 267 10.745 2.807 -19.671 1.00 0.00 O ATOM 709 CB GLU A 267 8.480 1.064 -17.788 1.00 0.00 C ATOM 710 CG GLU A 267 7.756 -0.244 -17.385 1.00 0.00 C ATOM 711 CD GLU A 267 7.617 -1.244 -18.543 1.00 0.00 C ATOM 712 OE1 GLU A 267 6.773 -1.022 -19.432 1.00 0.00 O ATOM 713 OE2 GLU A 267 8.370 -2.245 -18.582 1.00 0.00 O ATOM 0 H GLU A 267 10.219 -0.534 -17.065 1.00 0.00 H new ATOM 0 HA GLU A 267 9.583 0.587 -19.596 1.00 0.00 H new ATOM 0 HB2 GLU A 267 8.686 1.639 -16.885 1.00 0.00 H new ATOM 0 HB3 GLU A 267 7.804 1.661 -18.400 1.00 0.00 H new ATOM 0 HG2 GLU A 267 8.303 -0.717 -16.569 1.00 0.00 H new ATOM 0 HG3 GLU A 267 6.764 0.000 -17.004 1.00 0.00 H new ATOM 720 N CYS A 268 11.207 2.582 -17.456 1.00 0.00 N ATOM 721 CA CYS A 268 12.007 3.834 -17.330 1.00 0.00 C ATOM 722 C CYS A 268 13.224 3.848 -18.275 1.00 0.00 C ATOM 723 O CYS A 268 13.479 4.846 -18.948 1.00 0.00 O ATOM 724 CB CYS A 268 12.490 4.056 -15.866 1.00 0.00 C ATOM 725 SG CYS A 268 11.218 4.672 -14.739 1.00 0.00 S ATOM 0 H CYS A 268 11.140 2.049 -16.589 1.00 0.00 H new ATOM 0 HA CYS A 268 11.341 4.648 -17.616 1.00 0.00 H new ATOM 0 HB2 CYS A 268 12.875 3.113 -15.478 1.00 0.00 H new ATOM 0 HB3 CYS A 268 13.321 4.761 -15.875 1.00 0.00 H new ATOM 0 HG CYS A 268 11.406 4.168 -13.556 1.00 0.00 H new ATOM 730 N LYS A 269 13.972 2.735 -18.325 1.00 0.00 N ATOM 731 CA LYS A 269 15.256 2.695 -19.055 1.00 0.00 C ATOM 732 C LYS A 269 15.076 2.484 -20.577 1.00 0.00 C ATOM 733 O LYS A 269 16.025 2.677 -21.344 1.00 0.00 O ATOM 734 CB LYS A 269 16.226 1.665 -18.396 1.00 0.00 C ATOM 735 CG LYS A 269 15.681 0.234 -18.147 1.00 0.00 C ATOM 736 CD LYS A 269 15.632 -0.662 -19.406 1.00 0.00 C ATOM 737 CE LYS A 269 16.993 -0.801 -20.123 1.00 0.00 C ATOM 738 NZ LYS A 269 18.080 -1.238 -19.203 1.00 0.00 N ATOM 0 H LYS A 269 13.716 1.856 -17.874 1.00 0.00 H new ATOM 0 HA LYS A 269 15.721 3.677 -18.969 1.00 0.00 H new ATOM 0 HB2 LYS A 269 17.111 1.584 -19.027 1.00 0.00 H new ATOM 0 HB3 LYS A 269 16.552 2.073 -17.439 1.00 0.00 H new ATOM 0 HG2 LYS A 269 16.302 -0.252 -17.395 1.00 0.00 H new ATOM 0 HG3 LYS A 269 14.676 0.309 -17.731 1.00 0.00 H new ATOM 0 HD2 LYS A 269 15.278 -1.653 -19.122 1.00 0.00 H new ATOM 0 HD3 LYS A 269 14.903 -0.251 -20.105 1.00 0.00 H new ATOM 0 HE2 LYS A 269 16.899 -1.520 -20.937 1.00 0.00 H new ATOM 0 HE3 LYS A 269 17.263 0.155 -20.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 269 18.952 -1.398 -19.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 269 18.248 -0.501 -18.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 269 17.800 -2.121 -18.730 1.00 0.00 H new ATOM 752 N ILE A 270 13.866 2.070 -20.997 1.00 0.00 N ATOM 753 CA ILE A 270 13.490 1.981 -22.428 1.00 0.00 C ATOM 754 C ILE A 270 12.804 3.300 -22.882 1.00 0.00 C ATOM 755 O ILE A 270 12.818 3.640 -24.071 1.00 0.00 O ATOM 756 CB ILE A 270 12.576 0.707 -22.688 1.00 0.00 C ATOM 757 CG1 ILE A 270 13.397 -0.609 -22.440 1.00 0.00 C ATOM 758 CG2 ILE A 270 11.938 0.694 -24.104 1.00 0.00 C ATOM 759 CD1 ILE A 270 12.606 -1.907 -22.573 1.00 0.00 C ATOM 0 H ILE A 270 13.121 1.788 -20.360 1.00 0.00 H new ATOM 0 HA ILE A 270 14.390 1.855 -23.030 1.00 0.00 H new ATOM 0 HB ILE A 270 11.750 0.761 -21.979 1.00 0.00 H new ATOM 0 HG12 ILE A 270 14.229 -0.636 -23.144 1.00 0.00 H new ATOM 0 HG13 ILE A 270 13.827 -0.566 -21.439 1.00 0.00 H new ATOM 0 HG21 ILE A 270 11.326 -0.201 -24.219 1.00 0.00 H new ATOM 0 HG22 ILE A 270 11.314 1.579 -24.230 1.00 0.00 H new ATOM 0 HG23 ILE A 270 12.725 0.695 -24.858 1.00 0.00 H new ATOM 0 HD11 ILE A 270 13.264 -2.755 -22.383 1.00 0.00 H new ATOM 0 HD12 ILE A 270 11.790 -1.911 -21.850 1.00 0.00 H new ATOM 0 HD13 ILE A 270 12.198 -1.983 -23.581 1.00 0.00 H new ATOM 771 N GLU A 271 12.235 4.054 -21.920 1.00 0.00 N ATOM 772 CA GLU A 271 11.574 5.352 -22.193 1.00 0.00 C ATOM 773 C GLU A 271 12.587 6.526 -22.028 1.00 0.00 C ATOM 774 O GLU A 271 13.074 7.048 -23.057 1.00 0.00 O ATOM 775 CB GLU A 271 10.335 5.516 -21.267 1.00 0.00 C ATOM 776 CG GLU A 271 9.498 6.795 -21.492 1.00 0.00 C ATOM 777 CD GLU A 271 8.935 6.935 -22.922 1.00 0.00 C ATOM 778 OE1 GLU A 271 8.008 6.190 -23.281 1.00 0.00 O ATOM 779 OE2 GLU A 271 9.409 7.801 -23.686 1.00 0.00 O ATOM 780 OXT GLU A 271 12.921 6.900 -20.886 1.00 0.00 O ATOM 0 H GLU A 271 12.219 3.785 -20.936 1.00 0.00 H new ATOM 0 HA GLU A 271 11.225 5.372 -23.225 1.00 0.00 H new ATOM 0 HB2 GLU A 271 9.686 4.650 -21.401 1.00 0.00 H new ATOM 0 HB3 GLU A 271 10.674 5.503 -20.231 1.00 0.00 H new ATOM 0 HG2 GLU A 271 8.669 6.803 -20.784 1.00 0.00 H new ATOM 0 HG3 GLU A 271 10.116 7.665 -21.269 1.00 0.00 H new