USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 508 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 270 ASN : amide:sc= -6.72! C(o=-6.1!,f=-8.4!) USER MOD Set 1.2: A 272 SER OG : rot 54:sc= 0.642 USER MOD Set 2.1: A 239 TYR OH : rot 180:sc= 0.875 USER MOD Set 2.2: A 265 LYS NZ :NH3+ 168:sc= 1.02 (180deg=0) USER MOD Set 3.1: A 254 THR OG1 : rot -10:sc= 1.26 USER MOD Set 3.2: A 285 HIS : no HD1:sc= 0.236 K(o=1.5,f=-0.76) USER MOD Single : A 244 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 245 LYS NZ :NH3+ -111:sc= -3.15! (180deg=-7.36!) USER MOD Single : A 249 ASN : amide:sc= -0.0523 K(o=-0.052,f=-1.8!) USER MOD Single : A 251 TYR OH : rot 180:sc= 0 USER MOD Single : A 253 LYS NZ :NH3+ 172:sc= -0.0166 (180deg=-0.126) USER MOD Single : A 267 THR OG1 : rot -22:sc= 0.31 USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 274 GLN : amide:sc= -0.72 K(o=-0.72,f=-0.013) USER MOD Single : A 279 CYS SG : rot 180:sc= -9.63! USER MOD Single : A 280 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.0042) USER MOD Single : A 282 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 289 THR OG1 : rot -25:sc= 0.0596 USER MOD Single : A 290 HIS : no HE2:sc= -4.66! C(o=-4.7!,f=-6.4!) USER MOD Single : A 296 GLN : amide:sc= -0.983 X(o=-0.98,f=-0.9) USER MOD Single : A 297 GLN : amide:sc= -1.76! K(o=-1.8!,f=-0.29) USER MOD Single : A 298 ASN : amide:sc= -0.411 K(o=-0.41,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 236 11.940 -7.808 3.266 1.00 0.00 N ATOM 2 CA GLY A 236 12.556 -6.895 2.314 1.00 0.00 C ATOM 3 C GLY A 236 11.595 -5.817 1.836 1.00 0.00 C ATOM 4 O GLY A 236 11.914 -4.628 1.906 1.00 0.00 O ATOM 0 HA2 GLY A 236 13.424 -6.425 2.776 1.00 0.00 H new ATOM 0 HA3 GLY A 236 12.919 -7.460 1.456 1.00 0.00 H new ATOM 8 N PRO A 237 10.430 -6.232 1.297 1.00 0.00 N ATOM 9 CA PRO A 237 9.322 -5.349 0.908 1.00 0.00 C ATOM 10 C PRO A 237 9.079 -4.209 1.902 1.00 0.00 C ATOM 11 O PRO A 237 9.253 -4.377 3.111 1.00 0.00 O ATOM 12 CB PRO A 237 8.110 -6.301 0.895 1.00 0.00 C ATOM 13 CG PRO A 237 8.644 -7.675 1.171 1.00 0.00 C ATOM 14 CD PRO A 237 10.125 -7.611 0.952 1.00 0.00 C ATOM 0 HA PRO A 237 9.522 -4.852 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 237 7.380 -6.010 1.650 1.00 0.00 H new ATOM 0 HB3 PRO A 237 7.602 -6.269 -0.069 1.00 0.00 H new ATOM 0 HG2 PRO A 237 8.416 -7.981 2.192 1.00 0.00 H new ATOM 0 HG3 PRO A 237 8.186 -8.409 0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 237 10.661 -8.317 1.587 1.00 0.00 H new ATOM 0 HD3 PRO A 237 10.394 -7.841 -0.079 1.00 0.00 H new ATOM 22 N ILE A 238 8.632 -3.061 1.390 1.00 0.00 N ATOM 23 CA ILE A 238 8.561 -1.853 2.211 1.00 0.00 C ATOM 24 C ILE A 238 7.268 -1.815 3.022 1.00 0.00 C ATOM 25 O ILE A 238 6.247 -2.383 2.619 1.00 0.00 O ATOM 26 CB ILE A 238 8.729 -0.539 1.374 1.00 0.00 C ATOM 27 CG1 ILE A 238 7.481 0.364 1.415 1.00 0.00 C ATOM 28 CG2 ILE A 238 9.092 -0.850 -0.068 1.00 0.00 C ATOM 29 CD1 ILE A 238 6.355 -0.065 0.502 1.00 0.00 C ATOM 0 H ILE A 238 8.319 -2.943 0.427 1.00 0.00 H new ATOM 0 HA ILE A 238 9.405 -1.899 2.900 1.00 0.00 H new ATOM 0 HB ILE A 238 9.545 0.011 1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 238 7.107 0.396 2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 238 7.776 1.380 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 238 9.202 0.081 -0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 238 10.031 -1.403 -0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 238 8.304 -1.452 -0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 238 5.522 0.631 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 238 6.705 -0.069 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 238 6.025 -1.067 0.777 1.00 0.00 H new ATOM 41 N TYR A 239 7.325 -1.157 4.169 1.00 0.00 N ATOM 42 CA TYR A 239 6.152 -0.956 4.990 1.00 0.00 C ATOM 43 C TYR A 239 5.676 0.470 4.835 1.00 0.00 C ATOM 44 O TYR A 239 6.389 1.400 5.169 1.00 0.00 O ATOM 45 CB TYR A 239 6.473 -1.247 6.453 1.00 0.00 C ATOM 46 CG TYR A 239 6.621 -2.718 6.746 1.00 0.00 C ATOM 47 CD1 TYR A 239 5.508 -3.536 6.755 1.00 0.00 C ATOM 48 CD2 TYR A 239 7.859 -3.287 7.015 1.00 0.00 C ATOM 49 CE1 TYR A 239 5.613 -4.882 7.022 1.00 0.00 C ATOM 50 CE2 TYR A 239 7.977 -4.638 7.284 1.00 0.00 C ATOM 51 CZ TYR A 239 6.850 -5.434 7.287 1.00 0.00 C ATOM 52 OH TYR A 239 6.961 -6.784 7.551 1.00 0.00 O ATOM 0 H TYR A 239 8.180 -0.752 4.551 1.00 0.00 H new ATOM 0 HA TYR A 239 5.366 -1.639 4.669 1.00 0.00 H new ATOM 0 HB2 TYR A 239 7.396 -0.734 6.725 1.00 0.00 H new ATOM 0 HB3 TYR A 239 5.683 -0.836 7.081 1.00 0.00 H new ATOM 0 HD1 TYR A 239 4.537 -3.111 6.549 1.00 0.00 H new ATOM 0 HD2 TYR A 239 8.742 -2.665 7.014 1.00 0.00 H new ATOM 0 HE1 TYR A 239 4.730 -5.504 7.024 1.00 0.00 H new ATOM 0 HE2 TYR A 239 8.946 -5.068 7.491 1.00 0.00 H new ATOM 0 HH TYR A 239 7.901 -7.009 7.715 1.00 0.00 H new ATOM 62 N ALA A 240 4.465 0.649 4.366 1.00 0.00 N ATOM 63 CA ALA A 240 3.998 1.973 4.024 1.00 0.00 C ATOM 64 C ALA A 240 2.883 2.413 4.945 1.00 0.00 C ATOM 65 O ALA A 240 1.818 1.793 5.005 1.00 0.00 O ATOM 66 CB ALA A 240 3.537 2.013 2.575 1.00 0.00 C ATOM 0 H ALA A 240 3.788 -0.099 4.213 1.00 0.00 H new ATOM 0 HA ALA A 240 4.829 2.667 4.148 1.00 0.00 H new ATOM 0 HB1 ALA A 240 3.188 3.017 2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 240 4.368 1.750 1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 240 2.724 1.301 2.432 1.00 0.00 H new ATOM 72 N ARG A 241 3.147 3.489 5.663 1.00 0.00 N ATOM 73 CA ARG A 241 2.165 4.092 6.530 1.00 0.00 C ATOM 74 C ARG A 241 1.197 4.903 5.679 1.00 0.00 C ATOM 75 O ARG A 241 1.511 6.003 5.222 1.00 0.00 O ATOM 76 CB ARG A 241 2.873 4.974 7.568 1.00 0.00 C ATOM 77 CG ARG A 241 1.924 5.791 8.429 1.00 0.00 C ATOM 78 CD ARG A 241 1.169 4.903 9.401 1.00 0.00 C ATOM 79 NE ARG A 241 2.063 4.310 10.395 1.00 0.00 N ATOM 80 CZ ARG A 241 1.779 3.215 11.095 1.00 0.00 C ATOM 81 NH1 ARG A 241 0.605 2.615 10.943 1.00 0.00 N ATOM 82 NH2 ARG A 241 2.663 2.731 11.960 1.00 0.00 N ATOM 0 H ARG A 241 4.049 3.965 5.658 1.00 0.00 H new ATOM 0 HA ARG A 241 1.603 3.328 7.067 1.00 0.00 H new ATOM 0 HB2 ARG A 241 3.481 4.341 8.214 1.00 0.00 H new ATOM 0 HB3 ARG A 241 3.554 5.651 7.052 1.00 0.00 H new ATOM 0 HG2 ARG A 241 2.486 6.545 8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 241 1.217 6.323 7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 241 0.399 5.487 9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 241 0.659 4.112 8.851 1.00 0.00 H new ATOM 0 HE ARG A 241 2.961 4.765 10.562 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -0.080 2.993 10.289 1.00 0.00 H new ATOM 0 HH12 ARG A 241 0.388 1.775 11.480 1.00 0.00 H new ATOM 0 HH21 ARG A 241 3.560 3.199 12.088 1.00 0.00 H new ATOM 0 HH22 ARG A 241 2.445 1.891 12.496 1.00 0.00 H new ATOM 96 N VAL A 242 0.025 4.345 5.446 1.00 0.00 N ATOM 97 CA VAL A 242 -0.949 4.984 4.580 1.00 0.00 C ATOM 98 C VAL A 242 -1.708 6.065 5.334 1.00 0.00 C ATOM 99 O VAL A 242 -2.309 5.808 6.380 1.00 0.00 O ATOM 100 CB VAL A 242 -1.938 3.976 3.957 1.00 0.00 C ATOM 101 CG1 VAL A 242 -2.569 3.090 5.015 1.00 0.00 C ATOM 102 CG2 VAL A 242 -3.011 4.714 3.178 1.00 0.00 C ATOM 0 H VAL A 242 -0.276 3.454 5.842 1.00 0.00 H new ATOM 0 HA VAL A 242 -0.392 5.439 3.761 1.00 0.00 H new ATOM 0 HB VAL A 242 -1.380 3.333 3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 242 -3.260 2.393 4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 242 -1.790 2.532 5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 242 -3.111 3.708 5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 242 -3.704 3.994 2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 242 -3.554 5.380 3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 242 -2.547 5.298 2.383 1.00 0.00 H new ATOM 112 N ILE A 243 -1.681 7.270 4.780 1.00 0.00 N ATOM 113 CA ILE A 243 -2.254 8.434 5.434 1.00 0.00 C ATOM 114 C ILE A 243 -3.571 8.847 4.790 1.00 0.00 C ATOM 115 O ILE A 243 -4.128 9.887 5.131 1.00 0.00 O ATOM 116 CB ILE A 243 -1.258 9.625 5.424 1.00 0.00 C ATOM 117 CG1 ILE A 243 -0.793 9.986 3.996 1.00 0.00 C ATOM 118 CG2 ILE A 243 -0.055 9.303 6.296 1.00 0.00 C ATOM 119 CD1 ILE A 243 -1.768 10.840 3.225 1.00 0.00 C ATOM 0 H ILE A 243 -1.263 7.465 3.870 1.00 0.00 H new ATOM 0 HA ILE A 243 -2.455 8.155 6.468 1.00 0.00 H new ATOM 0 HB ILE A 243 -1.783 10.492 5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 243 0.161 10.510 4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 243 -0.615 9.065 3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 243 0.639 10.144 6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 243 -0.385 9.120 7.319 1.00 0.00 H new ATOM 0 HG23 ILE A 243 0.445 8.414 5.912 1.00 0.00 H new ATOM 0 HD11 ILE A 243 -1.365 11.048 2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 243 -2.717 10.312 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 243 -1.928 11.779 3.755 1.00 0.00 H new ATOM 131 N GLN A 244 -4.074 8.012 3.884 1.00 0.00 N ATOM 132 CA GLN A 244 -5.251 8.349 3.079 1.00 0.00 C ATOM 133 C GLN A 244 -5.646 7.175 2.206 1.00 0.00 C ATOM 134 O GLN A 244 -5.077 6.977 1.133 1.00 0.00 O ATOM 135 CB GLN A 244 -4.972 9.547 2.169 1.00 0.00 C ATOM 136 CG GLN A 244 -5.470 10.881 2.699 1.00 0.00 C ATOM 137 CD GLN A 244 -5.236 12.008 1.718 1.00 0.00 C ATOM 138 OE1 GLN A 244 -4.279 11.991 0.945 1.00 0.00 O ATOM 139 NE2 GLN A 244 -6.117 12.992 1.735 1.00 0.00 N ATOM 0 H GLN A 244 -3.684 7.091 3.686 1.00 0.00 H new ATOM 0 HA GLN A 244 -6.057 8.596 3.770 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -3.897 9.617 2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -5.433 9.363 1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -6.535 10.808 2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -4.966 11.108 3.638 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -6.897 12.967 2.392 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -6.018 13.777 1.091 1.00 0.00 H new ATOM 148 N LYS A 245 -6.581 6.371 2.669 1.00 0.00 N ATOM 149 CA LYS A 245 -7.068 5.275 1.859 1.00 0.00 C ATOM 150 C LYS A 245 -8.549 4.999 2.115 1.00 0.00 C ATOM 151 O LYS A 245 -9.126 5.442 3.110 1.00 0.00 O ATOM 152 CB LYS A 245 -6.232 4.017 2.070 1.00 0.00 C ATOM 153 CG LYS A 245 -5.753 3.383 0.763 1.00 0.00 C ATOM 154 CD LYS A 245 -4.392 3.915 0.321 1.00 0.00 C ATOM 155 CE LYS A 245 -3.418 2.785 -0.018 1.00 0.00 C ATOM 156 NZ LYS A 245 -2.981 2.038 1.190 1.00 0.00 N ATOM 0 H LYS A 245 -7.014 6.454 3.589 1.00 0.00 H new ATOM 0 HA LYS A 245 -6.966 5.574 0.816 1.00 0.00 H new ATOM 0 HB2 LYS A 245 -5.366 4.263 2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 245 -6.820 3.287 2.626 1.00 0.00 H new ATOM 0 HG2 LYS A 245 -5.694 2.302 0.887 1.00 0.00 H new ATOM 0 HG3 LYS A 245 -6.486 3.574 -0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 245 -4.519 4.558 -0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 245 -3.969 4.533 1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 245 -3.893 2.096 -0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 245 -2.545 3.199 -0.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 245 -1.976 2.232 1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 245 -3.547 2.341 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 245 -3.115 1.018 1.035 1.00 0.00 H new ATOM 170 N ARG A 246 -9.129 4.264 1.188 1.00 0.00 N ATOM 171 CA ARG A 246 -10.547 3.922 1.175 1.00 0.00 C ATOM 172 C ARG A 246 -10.712 2.444 1.510 1.00 0.00 C ATOM 173 O ARG A 246 -9.743 1.779 1.872 1.00 0.00 O ATOM 174 CB ARG A 246 -11.157 4.217 -0.201 1.00 0.00 C ATOM 175 CG ARG A 246 -10.542 3.402 -1.327 1.00 0.00 C ATOM 176 CD ARG A 246 -11.421 3.400 -2.570 1.00 0.00 C ATOM 177 NE ARG A 246 -12.677 2.684 -2.339 1.00 0.00 N ATOM 178 CZ ARG A 246 -13.150 1.719 -3.133 1.00 0.00 C ATOM 179 NH1 ARG A 246 -12.527 1.410 -4.261 1.00 0.00 N ATOM 180 NH2 ARG A 246 -14.262 1.077 -2.804 1.00 0.00 N ATOM 0 H ARG A 246 -8.616 3.874 0.397 1.00 0.00 H new ATOM 0 HA ARG A 246 -11.066 4.526 1.919 1.00 0.00 H new ATOM 0 HB2 ARG A 246 -12.228 4.019 -0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 246 -11.036 5.277 -0.423 1.00 0.00 H new ATOM 0 HG2 ARG A 246 -9.562 3.808 -1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 246 -10.386 2.377 -0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 246 -11.636 4.427 -2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 246 -10.883 2.935 -3.396 1.00 0.00 H new ATOM 0 HE ARG A 246 -13.227 2.938 -1.518 1.00 0.00 H new ATOM 0 HH11 ARG A 246 -11.679 1.910 -4.529 1.00 0.00 H new ATOM 0 HH12 ARG A 246 -12.895 0.672 -4.861 1.00 0.00 H new ATOM 0 HH21 ARG A 246 -14.756 1.320 -1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 246 -14.624 0.340 -3.410 1.00 0.00 H new ATOM 194 N VAL A 247 -11.936 1.933 1.407 1.00 0.00 N ATOM 195 CA VAL A 247 -12.209 0.529 1.697 1.00 0.00 C ATOM 196 C VAL A 247 -12.505 -0.233 0.396 1.00 0.00 C ATOM 197 O VAL A 247 -13.656 -0.517 0.064 1.00 0.00 O ATOM 198 CB VAL A 247 -13.391 0.364 2.678 1.00 0.00 C ATOM 199 CG1 VAL A 247 -13.566 -1.096 3.068 1.00 0.00 C ATOM 200 CG2 VAL A 247 -13.182 1.218 3.918 1.00 0.00 C ATOM 0 H VAL A 247 -12.755 2.471 1.125 1.00 0.00 H new ATOM 0 HA VAL A 247 -11.319 0.114 2.171 1.00 0.00 H new ATOM 0 HB VAL A 247 -14.298 0.699 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -14.404 -1.190 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -13.764 -1.690 2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -12.656 -1.456 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -14.025 1.088 4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -12.263 0.913 4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -13.107 2.266 3.629 1.00 0.00 H new ATOM 210 N PRO A 248 -11.448 -0.519 -0.374 1.00 0.00 N ATOM 211 CA PRO A 248 -11.498 -1.256 -1.620 1.00 0.00 C ATOM 212 C PRO A 248 -11.207 -2.740 -1.412 1.00 0.00 C ATOM 213 O PRO A 248 -10.240 -3.105 -0.748 1.00 0.00 O ATOM 214 CB PRO A 248 -10.375 -0.594 -2.430 1.00 0.00 C ATOM 215 CG PRO A 248 -9.591 0.233 -1.457 1.00 0.00 C ATOM 216 CD PRO A 248 -10.085 -0.140 -0.103 1.00 0.00 C ATOM 0 HA PRO A 248 -12.476 -1.223 -2.099 1.00 0.00 H new ATOM 0 HB2 PRO A 248 -9.741 -1.344 -2.903 1.00 0.00 H new ATOM 0 HB3 PRO A 248 -10.784 0.026 -3.228 1.00 0.00 H new ATOM 0 HG2 PRO A 248 -8.523 0.035 -1.550 1.00 0.00 H new ATOM 0 HG3 PRO A 248 -9.736 1.297 -1.645 1.00 0.00 H new ATOM 0 HD2 PRO A 248 -9.512 -0.961 0.328 1.00 0.00 H new ATOM 0 HD3 PRO A 248 -10.025 0.693 0.597 1.00 0.00 H new ATOM 224 N ASN A 249 -12.029 -3.592 -1.987 1.00 0.00 N ATOM 225 CA ASN A 249 -11.878 -5.027 -1.797 1.00 0.00 C ATOM 226 C ASN A 249 -10.954 -5.610 -2.860 1.00 0.00 C ATOM 227 O ASN A 249 -10.519 -4.905 -3.773 1.00 0.00 O ATOM 228 CB ASN A 249 -13.242 -5.729 -1.838 1.00 0.00 C ATOM 229 CG ASN A 249 -14.123 -5.401 -0.641 1.00 0.00 C ATOM 230 OD1 ASN A 249 -14.063 -4.308 -0.078 1.00 0.00 O ATOM 231 ND2 ASN A 249 -14.949 -6.354 -0.244 1.00 0.00 N ATOM 0 H ASN A 249 -12.807 -3.322 -2.588 1.00 0.00 H new ATOM 0 HA ASN A 249 -11.434 -5.195 -0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 249 -13.762 -5.444 -2.752 1.00 0.00 H new ATOM 0 HB3 ASN A 249 -13.087 -6.807 -1.882 1.00 0.00 H new ATOM 0 HD21 ASN A 249 -15.564 -6.196 0.554 1.00 0.00 H new ATOM 0 HD22 ASN A 249 -14.971 -7.247 -0.736 1.00 0.00 H new ATOM 238 N ALA A 250 -10.659 -6.901 -2.754 1.00 0.00 N ATOM 239 CA ALA A 250 -9.828 -7.583 -3.743 1.00 0.00 C ATOM 240 C ALA A 250 -10.584 -7.751 -5.058 1.00 0.00 C ATOM 241 O ALA A 250 -10.101 -8.368 -6.004 1.00 0.00 O ATOM 242 CB ALA A 250 -9.381 -8.932 -3.213 1.00 0.00 C ATOM 0 H ALA A 250 -10.983 -7.498 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 250 -8.945 -6.972 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 250 -8.763 -9.430 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 250 -8.804 -8.791 -2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 250 -10.255 -9.546 -2.998 1.00 0.00 H new ATOM 248 N TYR A 251 -11.781 -7.196 -5.100 1.00 0.00 N ATOM 249 CA TYR A 251 -12.600 -7.193 -6.298 1.00 0.00 C ATOM 250 C TYR A 251 -12.616 -5.789 -6.887 1.00 0.00 C ATOM 251 O TYR A 251 -13.369 -5.487 -7.811 1.00 0.00 O ATOM 252 CB TYR A 251 -14.019 -7.670 -5.977 1.00 0.00 C ATOM 253 CG TYR A 251 -14.079 -9.116 -5.526 1.00 0.00 C ATOM 254 CD1 TYR A 251 -13.592 -9.495 -4.281 1.00 0.00 C ATOM 255 CD2 TYR A 251 -14.616 -10.100 -6.347 1.00 0.00 C ATOM 256 CE1 TYR A 251 -13.636 -10.812 -3.868 1.00 0.00 C ATOM 257 CE2 TYR A 251 -14.665 -11.419 -5.937 1.00 0.00 C ATOM 258 CZ TYR A 251 -14.171 -11.770 -4.699 1.00 0.00 C ATOM 259 OH TYR A 251 -14.212 -13.082 -4.287 1.00 0.00 O ATOM 0 H TYR A 251 -12.214 -6.733 -4.301 1.00 0.00 H new ATOM 0 HA TYR A 251 -12.178 -7.881 -7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 251 -14.440 -7.036 -5.197 1.00 0.00 H new ATOM 0 HB3 TYR A 251 -14.645 -7.546 -6.861 1.00 0.00 H new ATOM 0 HD1 TYR A 251 -13.172 -8.747 -3.625 1.00 0.00 H new ATOM 0 HD2 TYR A 251 -15.001 -9.830 -7.319 1.00 0.00 H new ATOM 0 HE1 TYR A 251 -13.252 -11.089 -2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 251 -15.089 -12.172 -6.585 1.00 0.00 H new ATOM 0 HH TYR A 251 -14.620 -13.632 -4.988 1.00 0.00 H new ATOM 269 N ASP A 252 -11.766 -4.932 -6.330 1.00 0.00 N ATOM 270 CA ASP A 252 -11.581 -3.579 -6.838 1.00 0.00 C ATOM 271 C ASP A 252 -10.369 -3.555 -7.749 1.00 0.00 C ATOM 272 O ASP A 252 -9.471 -2.730 -7.579 1.00 0.00 O ATOM 273 CB ASP A 252 -11.372 -2.584 -5.691 1.00 0.00 C ATOM 274 CG ASP A 252 -12.662 -1.969 -5.196 1.00 0.00 C ATOM 275 OD1 ASP A 252 -13.362 -2.604 -4.381 1.00 0.00 O ATOM 276 OD2 ASP A 252 -12.979 -0.839 -5.623 1.00 0.00 O ATOM 0 H ASP A 252 -11.190 -5.155 -5.519 1.00 0.00 H new ATOM 0 HA ASP A 252 -12.476 -3.287 -7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 252 -10.878 -3.092 -4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 252 -10.703 -1.791 -6.024 1.00 0.00 H new ATOM 281 N LYS A 253 -10.357 -4.473 -8.718 1.00 0.00 N ATOM 282 CA LYS A 253 -9.155 -4.773 -9.494 1.00 0.00 C ATOM 283 C LYS A 253 -8.065 -5.254 -8.542 1.00 0.00 C ATOM 284 O LYS A 253 -6.878 -5.117 -8.820 1.00 0.00 O ATOM 285 CB LYS A 253 -8.654 -3.558 -10.296 1.00 0.00 C ATOM 286 CG LYS A 253 -9.545 -3.145 -11.465 1.00 0.00 C ATOM 287 CD LYS A 253 -10.767 -2.352 -11.015 1.00 0.00 C ATOM 288 CE LYS A 253 -10.380 -1.071 -10.285 1.00 0.00 C ATOM 289 NZ LYS A 253 -9.542 -0.170 -11.122 1.00 0.00 N ATOM 0 H LYS A 253 -11.173 -5.024 -8.984 1.00 0.00 H new ATOM 0 HA LYS A 253 -9.404 -5.549 -10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 253 -8.554 -2.710 -9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 253 -7.658 -3.780 -10.679 1.00 0.00 H new ATOM 0 HG2 LYS A 253 -8.965 -2.545 -12.166 1.00 0.00 H new ATOM 0 HG3 LYS A 253 -9.871 -4.036 -12.002 1.00 0.00 H new ATOM 0 HD2 LYS A 253 -11.378 -2.104 -11.883 1.00 0.00 H new ATOM 0 HD3 LYS A 253 -11.380 -2.971 -10.360 1.00 0.00 H new ATOM 0 HE2 LYS A 253 -11.284 -0.543 -9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 253 -9.837 -1.325 -9.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 253 -9.419 0.741 -10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 253 -8.612 -0.608 -11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 253 -10.009 -0.013 -12.038 1.00 0.00 H new ATOM 303 N THR A 254 -8.516 -5.806 -7.412 1.00 0.00 N ATOM 304 CA THR A 254 -7.678 -6.228 -6.303 1.00 0.00 C ATOM 305 C THR A 254 -7.009 -5.019 -5.667 1.00 0.00 C ATOM 306 O THR A 254 -5.927 -4.589 -6.059 1.00 0.00 O ATOM 307 CB THR A 254 -6.639 -7.327 -6.654 1.00 0.00 C ATOM 308 OG1 THR A 254 -5.560 -6.820 -7.453 1.00 0.00 O ATOM 309 CG2 THR A 254 -7.298 -8.484 -7.389 1.00 0.00 C ATOM 0 H THR A 254 -9.508 -5.974 -7.246 1.00 0.00 H new ATOM 0 HA THR A 254 -8.347 -6.702 -5.585 1.00 0.00 H new ATOM 0 HB THR A 254 -6.231 -7.677 -5.706 1.00 0.00 H new ATOM 0 HG1 THR A 254 -5.773 -5.911 -7.751 1.00 0.00 H new ATOM 0 HG21 THR A 254 -6.549 -9.240 -7.623 1.00 0.00 H new ATOM 0 HG22 THR A 254 -8.071 -8.923 -6.758 1.00 0.00 H new ATOM 0 HG23 THR A 254 -7.747 -8.120 -8.313 1.00 0.00 H new ATOM 317 N ALA A 255 -7.705 -4.432 -4.717 1.00 0.00 N ATOM 318 CA ALA A 255 -7.184 -3.282 -4.003 1.00 0.00 C ATOM 319 C ALA A 255 -7.120 -3.551 -2.502 1.00 0.00 C ATOM 320 O ALA A 255 -7.659 -4.543 -2.010 1.00 0.00 O ATOM 321 CB ALA A 255 -8.030 -2.062 -4.307 1.00 0.00 C ATOM 0 H ALA A 255 -8.634 -4.731 -4.420 1.00 0.00 H new ATOM 0 HA ALA A 255 -6.165 -3.091 -4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 255 -7.634 -1.201 -3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 255 -8.007 -1.861 -5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 255 -9.058 -2.245 -3.994 1.00 0.00 H new ATOM 327 N LEU A 256 -6.438 -2.661 -1.792 1.00 0.00 N ATOM 328 CA LEU A 256 -6.205 -2.798 -0.354 1.00 0.00 C ATOM 329 C LEU A 256 -7.245 -2.043 0.453 1.00 0.00 C ATOM 330 O LEU A 256 -7.325 -0.822 0.357 1.00 0.00 O ATOM 331 CB LEU A 256 -4.828 -2.241 0.019 1.00 0.00 C ATOM 332 CG LEU A 256 -3.644 -3.151 -0.250 1.00 0.00 C ATOM 333 CD1 LEU A 256 -3.783 -4.433 0.539 1.00 0.00 C ATOM 334 CD2 LEU A 256 -3.542 -3.441 -1.719 1.00 0.00 C ATOM 0 H LEU A 256 -6.028 -1.819 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 256 -6.266 -3.861 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 256 -4.676 -1.310 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 256 -4.835 -1.992 1.080 1.00 0.00 H new ATOM 0 HG LEU A 256 -2.730 -2.649 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 256 -2.928 -5.078 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 256 -3.822 -4.203 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 256 -4.700 -4.944 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 256 -2.689 -4.095 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 256 -4.455 -3.931 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 256 -3.408 -2.508 -2.266 1.00 0.00 H new ATOM 346 N ALA A 257 -8.007 -2.758 1.263 1.00 0.00 N ATOM 347 CA ALA A 257 -8.977 -2.139 2.147 1.00 0.00 C ATOM 348 C ALA A 257 -8.309 -1.721 3.444 1.00 0.00 C ATOM 349 O ALA A 257 -8.104 -2.528 4.353 1.00 0.00 O ATOM 350 CB ALA A 257 -10.143 -3.076 2.391 1.00 0.00 C ATOM 0 H ALA A 257 -7.971 -3.775 1.326 1.00 0.00 H new ATOM 0 HA ALA A 257 -9.373 -1.241 1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -10.862 -2.597 3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -10.626 -3.310 1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -9.781 -3.996 2.850 1.00 0.00 H new ATOM 356 N LEU A 258 -7.951 -0.452 3.491 1.00 0.00 N ATOM 357 CA LEU A 258 -7.188 0.125 4.602 1.00 0.00 C ATOM 358 C LEU A 258 -7.442 1.635 4.667 1.00 0.00 C ATOM 359 O LEU A 258 -8.115 2.178 3.806 1.00 0.00 O ATOM 360 CB LEU A 258 -5.694 -0.199 4.436 1.00 0.00 C ATOM 361 CG LEU A 258 -5.271 -0.543 3.032 1.00 0.00 C ATOM 362 CD1 LEU A 258 -5.489 0.622 2.143 1.00 0.00 C ATOM 363 CD2 LEU A 258 -3.824 -0.966 2.961 1.00 0.00 C ATOM 0 H LEU A 258 -8.179 0.220 2.758 1.00 0.00 H new ATOM 0 HA LEU A 258 -7.515 -0.312 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -5.112 0.658 4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -5.444 -1.034 5.090 1.00 0.00 H new ATOM 0 HG LEU A 258 -5.880 -1.386 2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -5.181 0.368 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -6.546 0.889 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -4.900 1.467 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -3.565 -1.204 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -3.190 -0.154 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -3.671 -1.846 3.586 1.00 0.00 H new ATOM 375 N GLU A 259 -6.893 2.324 5.655 1.00 0.00 N ATOM 376 CA GLU A 259 -7.393 3.641 6.001 1.00 0.00 C ATOM 377 C GLU A 259 -6.255 4.594 6.402 1.00 0.00 C ATOM 378 O GLU A 259 -5.098 4.186 6.498 1.00 0.00 O ATOM 379 CB GLU A 259 -8.393 3.448 7.152 1.00 0.00 C ATOM 380 CG GLU A 259 -8.832 4.713 7.857 1.00 0.00 C ATOM 381 CD GLU A 259 -9.710 4.429 9.054 1.00 0.00 C ATOM 382 OE1 GLU A 259 -10.914 4.165 8.869 1.00 0.00 O ATOM 383 OE2 GLU A 259 -9.191 4.446 10.189 1.00 0.00 O ATOM 0 H GLU A 259 -6.112 1.997 6.224 1.00 0.00 H new ATOM 0 HA GLU A 259 -7.877 4.103 5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 259 -9.278 2.946 6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 259 -7.947 2.779 7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 259 -7.952 5.271 8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 259 -9.373 5.348 7.155 1.00 0.00 H new ATOM 390 N VAL A 260 -6.603 5.864 6.613 1.00 0.00 N ATOM 391 CA VAL A 260 -5.680 6.872 7.126 1.00 0.00 C ATOM 392 C VAL A 260 -5.074 6.446 8.461 1.00 0.00 C ATOM 393 O VAL A 260 -5.787 6.242 9.442 1.00 0.00 O ATOM 394 CB VAL A 260 -6.404 8.218 7.334 1.00 0.00 C ATOM 395 CG1 VAL A 260 -5.450 9.268 7.881 1.00 0.00 C ATOM 396 CG2 VAL A 260 -7.044 8.692 6.040 1.00 0.00 C ATOM 0 H VAL A 260 -7.540 6.223 6.431 1.00 0.00 H new ATOM 0 HA VAL A 260 -4.887 6.981 6.386 1.00 0.00 H new ATOM 0 HB VAL A 260 -7.195 8.066 8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -5.984 10.208 8.019 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -5.051 8.933 8.838 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -4.630 9.416 7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -7.549 9.643 6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -6.274 8.821 5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -7.769 7.952 5.700 1.00 0.00 H new ATOM 406 N GLY A 261 -3.763 6.299 8.475 1.00 0.00 N ATOM 407 CA GLY A 261 -3.048 6.043 9.706 1.00 0.00 C ATOM 408 C GLY A 261 -2.610 4.606 9.810 1.00 0.00 C ATOM 409 O GLY A 261 -1.944 4.216 10.768 1.00 0.00 O ATOM 0 H GLY A 261 -3.172 6.353 7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 261 -2.175 6.694 9.762 1.00 0.00 H new ATOM 0 HA3 GLY A 261 -3.685 6.291 10.555 1.00 0.00 H new ATOM 413 N GLU A 262 -2.978 3.815 8.817 1.00 0.00 N ATOM 414 CA GLU A 262 -2.716 2.384 8.866 1.00 0.00 C ATOM 415 C GLU A 262 -1.450 2.035 8.101 1.00 0.00 C ATOM 416 O GLU A 262 -0.717 2.918 7.668 1.00 0.00 O ATOM 417 CB GLU A 262 -3.910 1.607 8.328 1.00 0.00 C ATOM 418 CG GLU A 262 -5.182 1.900 9.093 1.00 0.00 C ATOM 419 CD GLU A 262 -6.158 0.744 9.064 1.00 0.00 C ATOM 420 OE1 GLU A 262 -5.885 -0.281 9.729 1.00 0.00 O ATOM 421 OE2 GLU A 262 -7.203 0.854 8.397 1.00 0.00 O ATOM 0 H GLU A 262 -3.455 4.134 7.974 1.00 0.00 H new ATOM 0 HA GLU A 262 -2.563 2.100 9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 262 -4.057 1.854 7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 262 -3.697 0.539 8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 262 -4.933 2.135 10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 262 -5.660 2.785 8.671 1.00 0.00 H new ATOM 428 N LEU A 263 -1.182 0.751 7.955 1.00 0.00 N ATOM 429 CA LEU A 263 0.035 0.307 7.304 1.00 0.00 C ATOM 430 C LEU A 263 -0.280 -0.686 6.196 1.00 0.00 C ATOM 431 O LEU A 263 -1.335 -1.320 6.193 1.00 0.00 O ATOM 432 CB LEU A 263 0.968 -0.339 8.328 1.00 0.00 C ATOM 433 CG LEU A 263 2.373 -0.683 7.823 1.00 0.00 C ATOM 434 CD1 LEU A 263 3.269 0.541 7.853 1.00 0.00 C ATOM 435 CD2 LEU A 263 2.971 -1.812 8.634 1.00 0.00 C ATOM 0 H LEU A 263 -1.790 -0.002 8.278 1.00 0.00 H new ATOM 0 HA LEU A 263 0.527 1.174 6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 263 1.063 0.333 9.181 1.00 0.00 H new ATOM 0 HB3 LEU A 263 0.499 -1.253 8.693 1.00 0.00 H new ATOM 0 HG LEU A 263 2.293 -1.016 6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 263 4.262 0.274 7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 263 2.846 1.317 7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 263 3.344 0.912 8.875 1.00 0.00 H new ATOM 0 HD21 LEU A 263 3.969 -2.041 8.259 1.00 0.00 H new ATOM 0 HD22 LEU A 263 3.036 -1.514 9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 263 2.340 -2.696 8.548 1.00 0.00 H new ATOM 447 N VAL A 264 0.643 -0.807 5.262 1.00 0.00 N ATOM 448 CA VAL A 264 0.537 -1.770 4.188 1.00 0.00 C ATOM 449 C VAL A 264 1.927 -2.295 3.876 1.00 0.00 C ATOM 450 O VAL A 264 2.905 -1.560 3.965 1.00 0.00 O ATOM 451 CB VAL A 264 -0.100 -1.162 2.907 1.00 0.00 C ATOM 452 CG1 VAL A 264 0.868 -0.234 2.180 1.00 0.00 C ATOM 453 CG2 VAL A 264 -0.588 -2.259 1.973 1.00 0.00 C ATOM 0 H VAL A 264 1.489 -0.238 5.228 1.00 0.00 H new ATOM 0 HA VAL A 264 -0.120 -2.577 4.514 1.00 0.00 H new ATOM 0 HB VAL A 264 -0.956 -0.566 3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 264 0.385 0.171 1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 264 1.154 0.584 2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 264 1.757 -0.792 1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 264 -1.030 -1.810 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 264 0.252 -2.889 1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 264 -1.337 -2.865 2.483 1.00 0.00 H new ATOM 463 N LYS A 265 2.026 -3.556 3.551 1.00 0.00 N ATOM 464 CA LYS A 265 3.297 -4.135 3.196 1.00 0.00 C ATOM 465 C LYS A 265 3.361 -4.313 1.694 1.00 0.00 C ATOM 466 O LYS A 265 2.861 -5.294 1.147 1.00 0.00 O ATOM 467 CB LYS A 265 3.478 -5.471 3.910 1.00 0.00 C ATOM 468 CG LYS A 265 4.813 -6.127 3.641 1.00 0.00 C ATOM 469 CD LYS A 265 5.002 -7.340 4.524 1.00 0.00 C ATOM 470 CE LYS A 265 6.401 -7.902 4.407 1.00 0.00 C ATOM 471 NZ LYS A 265 6.726 -8.792 5.548 1.00 0.00 N ATOM 0 H LYS A 265 1.240 -4.205 3.524 1.00 0.00 H new ATOM 0 HA LYS A 265 4.105 -3.472 3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 265 3.368 -5.317 4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 265 2.682 -6.148 3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 265 4.874 -6.421 2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 265 5.617 -5.413 3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 265 4.803 -7.070 5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 265 4.277 -8.107 4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 265 6.495 -8.457 3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 265 7.121 -7.084 4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 7.600 -9.316 5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 6.860 -8.221 6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 5.946 -9.464 5.697 1.00 0.00 H new ATOM 485 N VAL A 266 3.945 -3.346 1.020 1.00 0.00 N ATOM 486 CA VAL A 266 4.073 -3.413 -0.408 1.00 0.00 C ATOM 487 C VAL A 266 5.147 -4.407 -0.800 1.00 0.00 C ATOM 488 O VAL A 266 6.356 -4.161 -0.652 1.00 0.00 O ATOM 489 CB VAL A 266 4.342 -2.032 -0.989 1.00 0.00 C ATOM 490 CG1 VAL A 266 4.624 -2.100 -2.474 1.00 0.00 C ATOM 491 CG2 VAL A 266 3.156 -1.139 -0.711 1.00 0.00 C ATOM 0 H VAL A 266 4.337 -2.505 1.444 1.00 0.00 H new ATOM 0 HA VAL A 266 3.131 -3.765 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 266 5.231 -1.618 -0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 266 4.811 -1.096 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 266 5.500 -2.724 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 266 3.764 -2.529 -2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 266 3.342 -0.148 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 266 2.265 -1.564 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 266 3.004 -1.060 0.366 1.00 0.00 H new ATOM 501 N THR A 267 4.662 -5.535 -1.282 1.00 0.00 N ATOM 502 CA THR A 267 5.482 -6.674 -1.622 1.00 0.00 C ATOM 503 C THR A 267 5.857 -6.646 -3.103 1.00 0.00 C ATOM 504 O THR A 267 6.703 -7.420 -3.557 1.00 0.00 O ATOM 505 CB THR A 267 4.736 -7.982 -1.256 1.00 0.00 C ATOM 506 OG1 THR A 267 5.477 -9.146 -1.649 1.00 0.00 O ATOM 507 CG2 THR A 267 3.353 -8.005 -1.888 1.00 0.00 C ATOM 0 H THR A 267 3.667 -5.685 -1.450 1.00 0.00 H new ATOM 0 HA THR A 267 6.408 -6.631 -1.049 1.00 0.00 H new ATOM 0 HB THR A 267 4.632 -8.003 -0.171 1.00 0.00 H new ATOM 0 HG1 THR A 267 6.108 -8.908 -2.360 1.00 0.00 H new ATOM 0 HG21 THR A 267 2.845 -8.931 -1.619 1.00 0.00 H new ATOM 0 HG22 THR A 267 2.774 -7.156 -1.526 1.00 0.00 H new ATOM 0 HG23 THR A 267 3.447 -7.945 -2.972 1.00 0.00 H new ATOM 515 N LYS A 268 5.244 -5.741 -3.862 1.00 0.00 N ATOM 516 CA LYS A 268 5.656 -5.541 -5.239 1.00 0.00 C ATOM 517 C LYS A 268 6.046 -4.093 -5.417 1.00 0.00 C ATOM 518 O LYS A 268 5.194 -3.215 -5.460 1.00 0.00 O ATOM 519 CB LYS A 268 4.547 -5.922 -6.216 1.00 0.00 C ATOM 520 CG LYS A 268 5.038 -6.055 -7.650 1.00 0.00 C ATOM 521 CD LYS A 268 6.027 -7.204 -7.777 1.00 0.00 C ATOM 522 CE LYS A 268 5.352 -8.547 -7.560 1.00 0.00 C ATOM 523 NZ LYS A 268 6.323 -9.674 -7.577 1.00 0.00 N ATOM 0 H LYS A 268 4.475 -5.147 -3.550 1.00 0.00 H new ATOM 0 HA LYS A 268 6.507 -6.187 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 268 4.101 -6.866 -5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 268 3.760 -5.169 -6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 268 4.191 -6.223 -8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 268 5.511 -5.125 -7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 268 6.486 -7.182 -8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 268 6.829 -7.077 -7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 268 4.826 -8.537 -6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 268 4.602 -8.704 -8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 5.817 -10.570 -7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 6.807 -9.701 -8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 7.024 -9.540 -6.821 1.00 0.00 H new ATOM 537 N ILE A 269 7.335 -3.854 -5.518 1.00 0.00 N ATOM 538 CA ILE A 269 7.863 -2.507 -5.405 1.00 0.00 C ATOM 539 C ILE A 269 8.332 -1.897 -6.723 1.00 0.00 C ATOM 540 O ILE A 269 8.673 -2.596 -7.679 1.00 0.00 O ATOM 541 CB ILE A 269 8.978 -2.434 -4.336 1.00 0.00 C ATOM 542 CG1 ILE A 269 9.862 -3.686 -4.352 1.00 0.00 C ATOM 543 CG2 ILE A 269 8.338 -2.289 -2.972 1.00 0.00 C ATOM 544 CD1 ILE A 269 10.344 -4.063 -5.726 1.00 0.00 C ATOM 0 H ILE A 269 8.040 -4.574 -5.678 1.00 0.00 H new ATOM 0 HA ILE A 269 7.019 -1.895 -5.087 1.00 0.00 H new ATOM 0 HB ILE A 269 9.612 -1.576 -4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 269 10.724 -3.521 -3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 269 9.303 -4.521 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 269 9.115 -2.236 -2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 269 7.741 -1.377 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 269 7.697 -3.149 -2.778 1.00 0.00 H new ATOM 0 HD11 ILE A 269 10.964 -4.957 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 269 9.487 -4.261 -6.371 1.00 0.00 H new ATOM 0 HD13 ILE A 269 10.931 -3.245 -6.143 1.00 0.00 H new ATOM 556 N ASN A 270 8.283 -0.573 -6.765 1.00 0.00 N ATOM 557 CA ASN A 270 8.725 0.195 -7.921 1.00 0.00 C ATOM 558 C ASN A 270 9.310 1.525 -7.443 1.00 0.00 C ATOM 559 O ASN A 270 9.273 1.814 -6.249 1.00 0.00 O ATOM 560 CB ASN A 270 7.554 0.405 -8.878 1.00 0.00 C ATOM 561 CG ASN A 270 6.644 1.541 -8.472 1.00 0.00 C ATOM 562 OD1 ASN A 270 6.686 2.620 -9.045 1.00 0.00 O ATOM 563 ND2 ASN A 270 5.839 1.320 -7.455 1.00 0.00 N ATOM 0 H ASN A 270 7.935 0.000 -5.997 1.00 0.00 H new ATOM 0 HA ASN A 270 9.501 -0.346 -8.462 1.00 0.00 H new ATOM 0 HB2 ASN A 270 7.942 0.599 -9.878 1.00 0.00 H new ATOM 0 HB3 ASN A 270 6.972 -0.515 -8.935 1.00 0.00 H new ATOM 0 HD21 ASN A 270 5.224 2.062 -7.121 1.00 0.00 H new ATOM 0 HD22 ASN A 270 5.830 0.407 -7.000 1.00 0.00 H new ATOM 570 N VAL A 271 9.823 2.338 -8.356 1.00 0.00 N ATOM 571 CA VAL A 271 10.477 3.591 -7.971 1.00 0.00 C ATOM 572 C VAL A 271 9.495 4.773 -7.909 1.00 0.00 C ATOM 573 O VAL A 271 9.739 5.753 -7.205 1.00 0.00 O ATOM 574 CB VAL A 271 11.643 3.932 -8.922 1.00 0.00 C ATOM 575 CG1 VAL A 271 11.141 4.389 -10.285 1.00 0.00 C ATOM 576 CG2 VAL A 271 12.546 4.974 -8.288 1.00 0.00 C ATOM 0 H VAL A 271 9.802 2.159 -9.360 1.00 0.00 H new ATOM 0 HA VAL A 271 10.871 3.430 -6.967 1.00 0.00 H new ATOM 0 HB VAL A 271 12.224 3.025 -9.087 1.00 0.00 H new ATOM 0 HG11 VAL A 271 11.991 4.620 -10.927 1.00 0.00 H new ATOM 0 HG12 VAL A 271 10.548 3.595 -10.739 1.00 0.00 H new ATOM 0 HG13 VAL A 271 10.524 5.279 -10.166 1.00 0.00 H new ATOM 0 HG21 VAL A 271 13.366 5.207 -8.968 1.00 0.00 H new ATOM 0 HG22 VAL A 271 11.972 5.879 -8.087 1.00 0.00 H new ATOM 0 HG23 VAL A 271 12.950 4.585 -7.353 1.00 0.00 H new ATOM 586 N SER A 272 8.384 4.675 -8.625 1.00 0.00 N ATOM 587 CA SER A 272 7.433 5.778 -8.715 1.00 0.00 C ATOM 588 C SER A 272 6.287 5.646 -7.705 1.00 0.00 C ATOM 589 O SER A 272 5.399 6.496 -7.645 1.00 0.00 O ATOM 590 CB SER A 272 6.878 5.856 -10.134 1.00 0.00 C ATOM 591 OG SER A 272 7.200 4.683 -10.866 1.00 0.00 O ATOM 0 H SER A 272 8.117 3.844 -9.153 1.00 0.00 H new ATOM 0 HA SER A 272 7.967 6.697 -8.471 1.00 0.00 H new ATOM 0 HB2 SER A 272 5.796 5.983 -10.100 1.00 0.00 H new ATOM 0 HB3 SER A 272 7.286 6.730 -10.641 1.00 0.00 H new ATOM 0 HG SER A 272 6.904 3.894 -10.366 1.00 0.00 H new ATOM 597 N GLY A 273 6.297 4.573 -6.924 1.00 0.00 N ATOM 598 CA GLY A 273 5.286 4.399 -5.900 1.00 0.00 C ATOM 599 C GLY A 273 3.961 3.914 -6.453 1.00 0.00 C ATOM 600 O GLY A 273 2.960 3.887 -5.750 1.00 0.00 O ATOM 0 H GLY A 273 6.985 3.822 -6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 273 5.647 3.686 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 273 5.133 5.347 -5.383 1.00 0.00 H new ATOM 604 N GLN A 274 3.949 3.549 -7.724 1.00 0.00 N ATOM 605 CA GLN A 274 2.762 2.968 -8.340 1.00 0.00 C ATOM 606 C GLN A 274 2.856 1.452 -8.244 1.00 0.00 C ATOM 607 O GLN A 274 3.113 0.768 -9.234 1.00 0.00 O ATOM 608 CB GLN A 274 2.659 3.403 -9.806 1.00 0.00 C ATOM 609 CG GLN A 274 2.797 4.904 -10.009 1.00 0.00 C ATOM 610 CD GLN A 274 1.724 5.702 -9.295 1.00 0.00 C ATOM 611 OE1 GLN A 274 0.668 5.985 -9.855 1.00 0.00 O ATOM 612 NE2 GLN A 274 1.985 6.069 -8.048 1.00 0.00 N ATOM 0 H GLN A 274 4.747 3.644 -8.352 1.00 0.00 H new ATOM 0 HA GLN A 274 1.869 3.315 -7.820 1.00 0.00 H new ATOM 0 HB2 GLN A 274 3.432 2.895 -10.382 1.00 0.00 H new ATOM 0 HB3 GLN A 274 1.698 3.078 -10.206 1.00 0.00 H new ATOM 0 HG2 GLN A 274 3.776 5.224 -9.654 1.00 0.00 H new ATOM 0 HG3 GLN A 274 2.757 5.126 -11.075 1.00 0.00 H new ATOM 0 HE21 GLN A 274 2.874 5.815 -7.617 1.00 0.00 H new ATOM 0 HE22 GLN A 274 1.297 6.605 -7.520 1.00 0.00 H new ATOM 621 N TRP A 275 2.658 0.929 -7.044 1.00 0.00 N ATOM 622 CA TRP A 275 3.003 -0.457 -6.766 1.00 0.00 C ATOM 623 C TRP A 275 1.832 -1.252 -6.232 1.00 0.00 C ATOM 624 O TRP A 275 0.723 -0.738 -6.074 1.00 0.00 O ATOM 625 CB TRP A 275 4.163 -0.549 -5.776 1.00 0.00 C ATOM 626 CG TRP A 275 4.196 0.504 -4.718 1.00 0.00 C ATOM 627 CD1 TRP A 275 3.150 1.073 -4.050 1.00 0.00 C ATOM 628 CD2 TRP A 275 5.378 1.090 -4.190 1.00 0.00 C ATOM 629 NE1 TRP A 275 3.624 2.009 -3.161 1.00 0.00 N ATOM 630 CE2 TRP A 275 4.992 2.026 -3.224 1.00 0.00 C ATOM 631 CE3 TRP A 275 6.730 0.910 -4.455 1.00 0.00 C ATOM 632 CZ2 TRP A 275 5.920 2.782 -2.519 1.00 0.00 C ATOM 633 CZ3 TRP A 275 7.650 1.654 -3.762 1.00 0.00 C ATOM 634 CH2 TRP A 275 7.244 2.583 -2.801 1.00 0.00 C ATOM 0 H TRP A 275 2.264 1.438 -6.253 1.00 0.00 H new ATOM 0 HA TRP A 275 3.300 -0.890 -7.721 1.00 0.00 H new ATOM 0 HB2 TRP A 275 4.126 -1.524 -5.291 1.00 0.00 H new ATOM 0 HB3 TRP A 275 5.098 -0.506 -6.335 1.00 0.00 H new ATOM 0 HD1 TRP A 275 2.109 0.826 -4.197 1.00 0.00 H new ATOM 0 HE1 TRP A 275 3.051 2.595 -2.554 1.00 0.00 H new ATOM 0 HE3 TRP A 275 7.052 0.194 -5.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 275 5.608 3.500 -1.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 275 8.703 1.520 -3.962 1.00 0.00 H new ATOM 0 HH2 TRP A 275 7.990 3.156 -2.270 1.00 0.00 H new ATOM 645 N GLU A 276 2.095 -2.520 -5.950 1.00 0.00 N ATOM 646 CA GLU A 276 1.081 -3.398 -5.422 1.00 0.00 C ATOM 647 C GLU A 276 1.316 -3.612 -3.936 1.00 0.00 C ATOM 648 O GLU A 276 2.401 -4.039 -3.512 1.00 0.00 O ATOM 649 CB GLU A 276 1.080 -4.732 -6.167 1.00 0.00 C ATOM 650 CG GLU A 276 0.947 -4.583 -7.676 1.00 0.00 C ATOM 651 CD GLU A 276 0.612 -5.888 -8.366 1.00 0.00 C ATOM 652 OE1 GLU A 276 1.420 -6.834 -8.288 1.00 0.00 O ATOM 653 OE2 GLU A 276 -0.481 -5.986 -8.964 1.00 0.00 O ATOM 0 H GLU A 276 3.007 -2.957 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 276 0.104 -2.937 -5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 276 2.004 -5.266 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 276 0.259 -5.346 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 276 0.171 -3.850 -7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 276 1.880 -4.192 -8.082 1.00 0.00 H new ATOM 660 N GLY A 277 0.281 -3.340 -3.162 1.00 0.00 N ATOM 661 CA GLY A 277 0.386 -3.370 -1.727 1.00 0.00 C ATOM 662 C GLY A 277 -0.242 -4.624 -1.157 1.00 0.00 C ATOM 663 O GLY A 277 -1.094 -5.239 -1.799 1.00 0.00 O ATOM 0 H GLY A 277 -0.645 -3.095 -3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 277 1.435 -3.321 -1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 277 -0.103 -2.492 -1.306 1.00 0.00 H new ATOM 667 N GLU A 278 0.185 -5.023 0.025 1.00 0.00 N ATOM 668 CA GLU A 278 -0.416 -6.158 0.707 1.00 0.00 C ATOM 669 C GLU A 278 -0.564 -5.836 2.184 1.00 0.00 C ATOM 670 O GLU A 278 0.424 -5.609 2.868 1.00 0.00 O ATOM 671 CB GLU A 278 0.463 -7.401 0.538 1.00 0.00 C ATOM 672 CG GLU A 278 -0.084 -8.642 1.213 1.00 0.00 C ATOM 673 CD GLU A 278 0.976 -9.701 1.426 1.00 0.00 C ATOM 674 OE1 GLU A 278 1.344 -10.395 0.455 1.00 0.00 O ATOM 675 OE2 GLU A 278 1.446 -9.840 2.574 1.00 0.00 O ATOM 0 H GLU A 278 0.948 -4.578 0.536 1.00 0.00 H new ATOM 0 HA GLU A 278 -1.396 -6.357 0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 278 0.586 -7.604 -0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 278 1.454 -7.189 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 278 -0.517 -8.367 2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 278 -0.890 -9.056 0.607 1.00 0.00 H new ATOM 682 N CYS A 279 -1.780 -5.816 2.695 1.00 0.00 N ATOM 683 CA CYS A 279 -1.956 -5.514 4.099 1.00 0.00 C ATOM 684 C CYS A 279 -2.218 -6.797 4.868 1.00 0.00 C ATOM 685 O CYS A 279 -3.343 -7.295 4.917 1.00 0.00 O ATOM 686 CB CYS A 279 -3.070 -4.477 4.306 1.00 0.00 C ATOM 687 SG CYS A 279 -4.698 -4.957 3.689 1.00 0.00 S ATOM 0 H CYS A 279 -2.638 -6.000 2.175 1.00 0.00 H new ATOM 0 HA CYS A 279 -1.041 -5.068 4.487 1.00 0.00 H new ATOM 0 HB2 CYS A 279 -3.152 -4.265 5.372 1.00 0.00 H new ATOM 0 HB3 CYS A 279 -2.774 -3.548 3.818 1.00 0.00 H new ATOM 0 HG CYS A 279 -5.550 -4.003 3.924 1.00 0.00 H new ATOM 693 N ASN A 280 -1.141 -7.319 5.452 1.00 0.00 N ATOM 694 CA ASN A 280 -1.161 -8.547 6.245 1.00 0.00 C ATOM 695 C ASN A 280 -2.073 -9.614 5.640 1.00 0.00 C ATOM 696 O ASN A 280 -2.990 -10.113 6.298 1.00 0.00 O ATOM 697 CB ASN A 280 -1.560 -8.256 7.695 1.00 0.00 C ATOM 698 CG ASN A 280 -0.598 -7.320 8.404 1.00 0.00 C ATOM 699 OD1 ASN A 280 -0.983 -6.608 9.332 1.00 0.00 O ATOM 700 ND2 ASN A 280 0.657 -7.306 7.979 1.00 0.00 N ATOM 0 H ASN A 280 -0.216 -6.894 5.387 1.00 0.00 H new ATOM 0 HA ASN A 280 -0.147 -8.946 6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 280 -2.559 -7.819 7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 280 -1.615 -9.195 8.245 1.00 0.00 H new ATOM 0 HD21 ASN A 280 1.339 -6.692 8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 280 0.941 -7.910 7.207 1.00 0.00 H new ATOM 707 N GLY A 281 -1.810 -9.972 4.390 1.00 0.00 N ATOM 708 CA GLY A 281 -2.580 -11.014 3.743 1.00 0.00 C ATOM 709 C GLY A 281 -3.388 -10.538 2.547 1.00 0.00 C ATOM 710 O GLY A 281 -3.467 -11.247 1.545 1.00 0.00 O ATOM 0 H GLY A 281 -1.077 -9.559 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 281 -1.902 -11.803 3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 281 -3.258 -11.456 4.473 1.00 0.00 H new ATOM 714 N LYS A 282 -3.994 -9.355 2.629 1.00 0.00 N ATOM 715 CA LYS A 282 -4.798 -8.856 1.512 1.00 0.00 C ATOM 716 C LYS A 282 -3.896 -8.336 0.398 1.00 0.00 C ATOM 717 O LYS A 282 -3.008 -7.527 0.644 1.00 0.00 O ATOM 718 CB LYS A 282 -5.759 -7.744 1.948 1.00 0.00 C ATOM 719 CG LYS A 282 -6.801 -8.162 2.976 1.00 0.00 C ATOM 720 CD LYS A 282 -6.370 -7.801 4.387 1.00 0.00 C ATOM 721 CE LYS A 282 -7.529 -7.864 5.364 1.00 0.00 C ATOM 722 NZ LYS A 282 -7.198 -7.202 6.653 1.00 0.00 N ATOM 0 H LYS A 282 -3.947 -8.735 3.438 1.00 0.00 H new ATOM 0 HA LYS A 282 -5.391 -9.694 1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 282 -5.175 -6.920 2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 282 -6.273 -7.362 1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 282 -7.751 -7.678 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 282 -6.968 -9.237 2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 282 -5.583 -8.482 4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 282 -5.945 -6.797 4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 282 -8.403 -7.385 4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 282 -7.794 -8.905 5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 282 -8.014 -7.265 7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 282 -6.379 -7.675 7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 282 -6.969 -6.202 6.481 1.00 0.00 H new ATOM 736 N ARG A 283 -4.139 -8.794 -0.823 1.00 0.00 N ATOM 737 CA ARG A 283 -3.310 -8.441 -1.961 1.00 0.00 C ATOM 738 C ARG A 283 -4.017 -7.450 -2.887 1.00 0.00 C ATOM 739 O ARG A 283 -5.168 -7.664 -3.265 1.00 0.00 O ATOM 740 CB ARG A 283 -2.986 -9.713 -2.737 1.00 0.00 C ATOM 741 CG ARG A 283 -1.509 -9.955 -2.944 1.00 0.00 C ATOM 742 CD ARG A 283 -0.858 -8.815 -3.703 1.00 0.00 C ATOM 743 NE ARG A 283 -1.551 -8.516 -4.958 1.00 0.00 N ATOM 744 CZ ARG A 283 -0.940 -8.079 -6.059 1.00 0.00 C ATOM 745 NH1 ARG A 283 0.387 -8.063 -6.122 1.00 0.00 N ATOM 746 NH2 ARG A 283 -1.659 -7.707 -7.115 1.00 0.00 N ATOM 0 H ARG A 283 -4.914 -9.418 -1.049 1.00 0.00 H new ATOM 0 HA ARG A 283 -2.400 -7.965 -1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 283 -3.411 -10.566 -2.208 1.00 0.00 H new ATOM 0 HB3 ARG A 283 -3.475 -9.665 -3.710 1.00 0.00 H new ATOM 0 HG2 ARG A 283 -1.020 -10.075 -1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 283 -1.365 -10.886 -3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 283 -0.846 -7.924 -3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 283 0.180 -9.069 -3.915 1.00 0.00 H new ATOM 0 HE ARG A 283 -2.562 -8.650 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 283 0.939 -8.385 -5.327 1.00 0.00 H new ATOM 0 HH12 ARG A 283 0.854 -7.728 -6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 283 -2.677 -7.756 -7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 283 -1.192 -7.372 -7.958 1.00 0.00 H new ATOM 760 N GLY A 284 -3.323 -6.376 -3.255 1.00 0.00 N ATOM 761 CA GLY A 284 -3.861 -5.438 -4.221 1.00 0.00 C ATOM 762 C GLY A 284 -2.811 -4.462 -4.720 1.00 0.00 C ATOM 763 O GLY A 284 -1.632 -4.790 -4.751 1.00 0.00 O ATOM 0 H GLY A 284 -2.396 -6.140 -2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 284 -4.275 -5.987 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 284 -4.683 -4.884 -3.768 1.00 0.00 H new ATOM 767 N HIS A 285 -3.234 -3.259 -5.104 1.00 0.00 N ATOM 768 CA HIS A 285 -2.310 -2.255 -5.648 1.00 0.00 C ATOM 769 C HIS A 285 -2.793 -0.838 -5.344 1.00 0.00 C ATOM 770 O HIS A 285 -3.998 -0.591 -5.295 1.00 0.00 O ATOM 771 CB HIS A 285 -2.111 -2.444 -7.160 1.00 0.00 C ATOM 772 CG HIS A 285 -3.373 -2.425 -7.965 1.00 0.00 C ATOM 773 ND1 HIS A 285 -3.840 -1.299 -8.602 1.00 0.00 N ATOM 774 CD2 HIS A 285 -4.255 -3.407 -8.248 1.00 0.00 C ATOM 775 CE1 HIS A 285 -4.955 -1.590 -9.240 1.00 0.00 C ATOM 776 NE2 HIS A 285 -5.230 -2.865 -9.045 1.00 0.00 N ATOM 0 H HIS A 285 -4.205 -2.953 -5.051 1.00 0.00 H new ATOM 0 HA HIS A 285 -1.347 -2.398 -5.158 1.00 0.00 H new ATOM 0 HB2 HIS A 285 -1.451 -1.658 -7.527 1.00 0.00 H new ATOM 0 HB3 HIS A 285 -1.602 -3.393 -7.330 1.00 0.00 H new ATOM 0 HD2 HIS A 285 -4.202 -4.431 -7.909 1.00 0.00 H new ATOM 0 HE1 HIS A 285 -5.545 -0.900 -9.825 1.00 0.00 H new ATOM 0 HE2 HIS A 285 -6.034 -3.365 -9.424 1.00 0.00 H new ATOM 785 N PHE A 286 -1.854 0.093 -5.160 1.00 0.00 N ATOM 786 CA PHE A 286 -2.189 1.474 -4.800 1.00 0.00 C ATOM 787 C PHE A 286 -1.061 2.446 -5.170 1.00 0.00 C ATOM 788 O PHE A 286 0.087 2.035 -5.367 1.00 0.00 O ATOM 789 CB PHE A 286 -2.492 1.575 -3.303 1.00 0.00 C ATOM 790 CG PHE A 286 -3.957 1.486 -2.973 1.00 0.00 C ATOM 791 CD1 PHE A 286 -4.787 2.582 -3.150 1.00 0.00 C ATOM 792 CD2 PHE A 286 -4.504 0.315 -2.479 1.00 0.00 C ATOM 793 CE1 PHE A 286 -6.129 2.509 -2.839 1.00 0.00 C ATOM 794 CE2 PHE A 286 -5.847 0.243 -2.164 1.00 0.00 C ATOM 795 CZ PHE A 286 -6.654 1.335 -2.343 1.00 0.00 C ATOM 0 H PHE A 286 -0.854 -0.084 -5.254 1.00 0.00 H new ATOM 0 HA PHE A 286 -3.075 1.755 -5.369 1.00 0.00 H new ATOM 0 HB2 PHE A 286 -1.962 0.779 -2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 286 -2.101 2.520 -2.925 1.00 0.00 H new ATOM 0 HD1 PHE A 286 -4.378 3.504 -3.536 1.00 0.00 H new ATOM 0 HD2 PHE A 286 -3.875 -0.551 -2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 286 -6.766 3.369 -2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 286 -6.261 -0.676 -1.776 1.00 0.00 H new ATOM 0 HZ PHE A 286 -7.704 1.276 -2.095 1.00 0.00 H new ATOM 805 N PRO A 287 -1.385 3.756 -5.279 1.00 0.00 N ATOM 806 CA PRO A 287 -0.430 4.788 -5.660 1.00 0.00 C ATOM 807 C PRO A 287 0.216 5.511 -4.470 1.00 0.00 C ATOM 808 O PRO A 287 -0.353 5.599 -3.376 1.00 0.00 O ATOM 809 CB PRO A 287 -1.307 5.753 -6.453 1.00 0.00 C ATOM 810 CG PRO A 287 -2.671 5.643 -5.843 1.00 0.00 C ATOM 811 CD PRO A 287 -2.724 4.337 -5.081 1.00 0.00 C ATOM 0 HA PRO A 287 0.419 4.374 -6.203 1.00 0.00 H new ATOM 0 HB2 PRO A 287 -0.928 6.773 -6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 287 -1.327 5.488 -7.510 1.00 0.00 H new ATOM 0 HG2 PRO A 287 -2.862 6.484 -5.176 1.00 0.00 H new ATOM 0 HG3 PRO A 287 -3.440 5.668 -6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 287 -2.937 4.499 -4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 287 -3.505 3.681 -5.466 1.00 0.00 H new ATOM 819 N PHE A 288 1.405 6.048 -4.737 1.00 0.00 N ATOM 820 CA PHE A 288 2.257 6.720 -3.748 1.00 0.00 C ATOM 821 C PHE A 288 1.635 8.021 -3.224 1.00 0.00 C ATOM 822 O PHE A 288 1.976 8.481 -2.137 1.00 0.00 O ATOM 823 CB PHE A 288 3.593 7.041 -4.432 1.00 0.00 C ATOM 824 CG PHE A 288 4.747 7.353 -3.517 1.00 0.00 C ATOM 825 CD1 PHE A 288 4.914 8.621 -2.976 1.00 0.00 C ATOM 826 CD2 PHE A 288 5.685 6.377 -3.224 1.00 0.00 C ATOM 827 CE1 PHE A 288 5.993 8.902 -2.158 1.00 0.00 C ATOM 828 CE2 PHE A 288 6.766 6.653 -2.413 1.00 0.00 C ATOM 829 CZ PHE A 288 6.921 7.918 -1.876 1.00 0.00 C ATOM 0 H PHE A 288 1.816 6.029 -5.670 1.00 0.00 H new ATOM 0 HA PHE A 288 2.384 6.059 -2.891 1.00 0.00 H new ATOM 0 HB2 PHE A 288 3.871 6.193 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 288 3.443 7.892 -5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 288 4.194 9.395 -3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 288 5.568 5.386 -3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 288 6.110 9.891 -1.740 1.00 0.00 H new ATOM 0 HE2 PHE A 288 7.491 5.882 -2.198 1.00 0.00 H new ATOM 0 HZ PHE A 288 7.765 8.136 -1.238 1.00 0.00 H new ATOM 839 N THR A 289 0.708 8.582 -3.994 1.00 0.00 N ATOM 840 CA THR A 289 0.195 9.936 -3.764 1.00 0.00 C ATOM 841 C THR A 289 -0.421 10.140 -2.371 1.00 0.00 C ATOM 842 O THR A 289 -0.534 11.274 -1.906 1.00 0.00 O ATOM 843 CB THR A 289 -0.850 10.308 -4.840 1.00 0.00 C ATOM 844 OG1 THR A 289 -1.314 11.648 -4.646 1.00 0.00 O ATOM 845 CG2 THR A 289 -2.032 9.349 -4.808 1.00 0.00 C ATOM 0 H THR A 289 0.288 8.113 -4.797 1.00 0.00 H new ATOM 0 HA THR A 289 1.063 10.592 -3.828 1.00 0.00 H new ATOM 0 HB THR A 289 -0.366 10.233 -5.814 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.209 11.897 -3.704 1.00 0.00 H new ATOM 0 HG21 THR A 289 -2.752 9.634 -5.575 1.00 0.00 H new ATOM 0 HG22 THR A 289 -1.682 8.334 -4.997 1.00 0.00 H new ATOM 0 HG23 THR A 289 -2.509 9.392 -3.829 1.00 0.00 H new ATOM 853 N HIS A 290 -0.816 9.064 -1.702 1.00 0.00 N ATOM 854 CA HIS A 290 -1.503 9.193 -0.422 1.00 0.00 C ATOM 855 C HIS A 290 -0.980 8.197 0.607 1.00 0.00 C ATOM 856 O HIS A 290 -1.743 7.649 1.407 1.00 0.00 O ATOM 857 CB HIS A 290 -3.021 9.055 -0.613 1.00 0.00 C ATOM 858 CG HIS A 290 -3.469 7.819 -1.335 1.00 0.00 C ATOM 859 ND1 HIS A 290 -4.607 7.781 -2.107 1.00 0.00 N ATOM 860 CD2 HIS A 290 -2.939 6.577 -1.395 1.00 0.00 C ATOM 861 CE1 HIS A 290 -4.758 6.574 -2.612 1.00 0.00 C ATOM 862 NE2 HIS A 290 -3.755 5.821 -2.200 1.00 0.00 N ATOM 0 H HIS A 290 -0.675 8.105 -2.018 1.00 0.00 H new ATOM 0 HA HIS A 290 -1.295 10.189 -0.030 1.00 0.00 H new ATOM 0 HB2 HIS A 290 -3.497 9.075 0.367 1.00 0.00 H new ATOM 0 HB3 HIS A 290 -3.382 9.926 -1.160 1.00 0.00 H new ATOM 0 HD1 HIS A 290 -5.237 8.567 -2.264 1.00 0.00 H new ATOM 0 HD2 HIS A 290 -2.039 6.241 -0.901 1.00 0.00 H new ATOM 0 HE1 HIS A 290 -5.565 6.254 -3.254 1.00 0.00 H new ATOM 871 N VAL A 291 0.323 7.964 0.581 1.00 0.00 N ATOM 872 CA VAL A 291 0.970 7.111 1.566 1.00 0.00 C ATOM 873 C VAL A 291 2.325 7.691 1.958 1.00 0.00 C ATOM 874 O VAL A 291 2.965 8.391 1.173 1.00 0.00 O ATOM 875 CB VAL A 291 1.172 5.662 1.051 1.00 0.00 C ATOM 876 CG1 VAL A 291 -0.156 4.980 0.766 1.00 0.00 C ATOM 877 CG2 VAL A 291 2.049 5.649 -0.186 1.00 0.00 C ATOM 0 H VAL A 291 0.956 8.356 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 291 0.309 7.074 2.432 1.00 0.00 H new ATOM 0 HB VAL A 291 1.673 5.101 1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 291 0.025 3.967 0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -0.748 4.941 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -0.698 5.543 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.177 4.623 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 291 1.578 6.239 -0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 291 3.023 6.076 0.054 1.00 0.00 H new ATOM 887 N ARG A 292 2.739 7.415 3.180 1.00 0.00 N ATOM 888 CA ARG A 292 4.068 7.768 3.649 1.00 0.00 C ATOM 889 C ARG A 292 4.758 6.491 4.085 1.00 0.00 C ATOM 890 O ARG A 292 4.425 5.913 5.113 1.00 0.00 O ATOM 891 CB ARG A 292 3.991 8.753 4.821 1.00 0.00 C ATOM 892 CG ARG A 292 3.334 10.083 4.475 1.00 0.00 C ATOM 893 CD ARG A 292 4.100 10.822 3.390 1.00 0.00 C ATOM 894 NE ARG A 292 5.469 11.138 3.795 1.00 0.00 N ATOM 895 CZ ARG A 292 6.174 12.160 3.310 1.00 0.00 C ATOM 896 NH1 ARG A 292 5.643 12.967 2.396 1.00 0.00 N ATOM 897 NH2 ARG A 292 7.414 12.368 3.736 1.00 0.00 N ATOM 0 H ARG A 292 2.165 6.940 3.876 1.00 0.00 H new ATOM 0 HA ARG A 292 4.627 8.254 2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 292 3.437 8.288 5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 292 4.999 8.943 5.188 1.00 0.00 H new ATOM 0 HG2 ARG A 292 2.311 9.908 4.143 1.00 0.00 H new ATOM 0 HG3 ARG A 292 3.278 10.705 5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 292 4.122 10.214 2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 292 3.575 11.744 3.141 1.00 0.00 H new ATOM 0 HE ARG A 292 5.912 10.539 4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 292 4.692 12.805 2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 292 6.186 13.748 2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 292 7.825 11.747 4.433 1.00 0.00 H new ATOM 0 HH22 ARG A 292 7.956 13.149 3.367 1.00 0.00 H new ATOM 911 N LEU A 293 5.721 6.052 3.312 1.00 0.00 N ATOM 912 CA LEU A 293 6.254 4.728 3.485 1.00 0.00 C ATOM 913 C LEU A 293 7.571 4.712 4.228 1.00 0.00 C ATOM 914 O LEU A 293 8.448 5.545 4.006 1.00 0.00 O ATOM 915 CB LEU A 293 6.405 3.993 2.143 1.00 0.00 C ATOM 916 CG LEU A 293 6.639 4.820 0.867 1.00 0.00 C ATOM 917 CD1 LEU A 293 5.401 5.620 0.483 1.00 0.00 C ATOM 918 CD2 LEU A 293 7.853 5.730 1.002 1.00 0.00 C ATOM 0 H LEU A 293 6.149 6.592 2.560 1.00 0.00 H new ATOM 0 HA LEU A 293 5.523 4.200 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 293 7.236 3.295 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 293 5.505 3.397 1.990 1.00 0.00 H new ATOM 0 HG LEU A 293 6.842 4.113 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 293 5.604 6.192 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 293 4.569 4.939 0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 293 5.143 6.303 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 293 7.986 6.298 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 293 7.701 6.418 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 293 8.741 5.126 1.188 1.00 0.00 H new ATOM 930 N LEU A 294 7.680 3.765 5.136 1.00 0.00 N ATOM 931 CA LEU A 294 8.949 3.373 5.658 1.00 0.00 C ATOM 932 C LEU A 294 9.588 2.505 4.597 1.00 0.00 C ATOM 933 O LEU A 294 9.051 1.462 4.204 1.00 0.00 O ATOM 934 CB LEU A 294 8.787 2.605 6.969 1.00 0.00 C ATOM 935 CG LEU A 294 8.074 3.363 8.092 1.00 0.00 C ATOM 936 CD1 LEU A 294 6.580 3.415 7.859 1.00 0.00 C ATOM 937 CD2 LEU A 294 8.392 2.753 9.447 1.00 0.00 C ATOM 0 H LEU A 294 6.888 3.254 5.525 1.00 0.00 H new ATOM 0 HA LEU A 294 9.569 4.241 5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 294 8.235 1.687 6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 294 9.775 2.312 7.323 1.00 0.00 H new ATOM 0 HG LEU A 294 8.445 4.388 8.087 1.00 0.00 H new ATOM 0 HD11 LEU A 294 6.103 3.960 8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 294 6.376 3.922 6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 294 6.182 2.401 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 294 7.873 3.310 10.227 1.00 0.00 H new ATOM 0 HD22 LEU A 294 8.064 1.714 9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 294 9.467 2.798 9.623 1.00 0.00 H new ATOM 949 N ASP A 295 10.735 2.934 4.158 1.00 0.00 N ATOM 950 CA ASP A 295 11.289 2.467 2.910 1.00 0.00 C ATOM 951 C ASP A 295 12.110 1.211 3.095 1.00 0.00 C ATOM 952 O ASP A 295 12.636 0.930 4.174 1.00 0.00 O ATOM 953 CB ASP A 295 12.134 3.574 2.270 1.00 0.00 C ATOM 954 CG ASP A 295 12.555 3.245 0.850 1.00 0.00 C ATOM 955 OD1 ASP A 295 11.709 3.338 -0.058 1.00 0.00 O ATOM 956 OD2 ASP A 295 13.735 2.900 0.640 1.00 0.00 O ATOM 0 H ASP A 295 11.315 3.615 4.649 1.00 0.00 H new ATOM 0 HA ASP A 295 10.461 2.216 2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 295 11.566 4.504 2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 295 13.023 3.744 2.878 1.00 0.00 H new ATOM 961 N GLN A 296 12.235 0.488 2.003 1.00 0.00 N ATOM 962 CA GLN A 296 12.957 -0.776 1.959 1.00 0.00 C ATOM 963 C GLN A 296 14.464 -0.551 1.974 1.00 0.00 C ATOM 964 O GLN A 296 15.244 -1.489 1.805 1.00 0.00 O ATOM 965 CB GLN A 296 12.560 -1.579 0.716 1.00 0.00 C ATOM 966 CG GLN A 296 12.412 -0.736 -0.545 1.00 0.00 C ATOM 967 CD GLN A 296 12.285 -1.578 -1.800 1.00 0.00 C ATOM 968 OE1 GLN A 296 12.890 -2.644 -1.904 1.00 0.00 O ATOM 969 NE2 GLN A 296 11.470 -1.134 -2.750 1.00 0.00 N ATOM 0 H GLN A 296 11.834 0.761 1.106 1.00 0.00 H new ATOM 0 HA GLN A 296 12.687 -1.343 2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 296 13.310 -2.350 0.539 1.00 0.00 H new ATOM 0 HB3 GLN A 296 11.617 -2.090 0.912 1.00 0.00 H new ATOM 0 HG2 GLN A 296 11.533 -0.098 -0.450 1.00 0.00 H new ATOM 0 HG3 GLN A 296 13.275 -0.077 -0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 296 10.984 -0.245 -2.631 1.00 0.00 H new ATOM 0 HE22 GLN A 296 11.330 -1.682 -3.599 1.00 0.00 H new ATOM 978 N GLN A 297 14.864 0.705 2.144 1.00 0.00 N ATOM 979 CA GLN A 297 16.250 1.030 2.429 1.00 0.00 C ATOM 980 C GLN A 297 16.628 0.481 3.795 1.00 0.00 C ATOM 981 O GLN A 297 17.703 -0.089 3.972 1.00 0.00 O ATOM 982 CB GLN A 297 16.479 2.541 2.405 1.00 0.00 C ATOM 983 CG GLN A 297 15.509 3.317 3.284 1.00 0.00 C ATOM 984 CD GLN A 297 16.123 4.564 3.879 1.00 0.00 C ATOM 985 OE1 GLN A 297 15.441 5.569 4.085 1.00 0.00 O ATOM 986 NE2 GLN A 297 17.404 4.496 4.198 1.00 0.00 N ATOM 0 H GLN A 297 14.244 1.513 2.089 1.00 0.00 H new ATOM 0 HA GLN A 297 16.874 0.577 1.658 1.00 0.00 H new ATOM 0 HB2 GLN A 297 17.498 2.751 2.729 1.00 0.00 H new ATOM 0 HB3 GLN A 297 16.391 2.897 1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 297 14.635 3.594 2.695 1.00 0.00 H new ATOM 0 HG3 GLN A 297 15.159 2.671 4.089 1.00 0.00 H new ATOM 0 HE21 GLN A 297 17.932 3.644 4.010 1.00 0.00 H new ATOM 0 HE22 GLN A 297 17.865 5.296 4.632 1.00 0.00 H new ATOM 995 N ASN A 298 15.719 0.638 4.751 1.00 0.00 N ATOM 996 CA ASN A 298 15.950 0.172 6.109 1.00 0.00 C ATOM 997 C ASN A 298 14.712 -0.523 6.659 1.00 0.00 C ATOM 998 O ASN A 298 13.949 0.059 7.432 1.00 0.00 O ATOM 999 CB ASN A 298 16.330 1.327 7.045 1.00 0.00 C ATOM 1000 CG ASN A 298 16.823 0.841 8.405 1.00 0.00 C ATOM 1001 OD1 ASN A 298 16.567 -0.294 8.814 1.00 0.00 O ATOM 1002 ND2 ASN A 298 17.512 1.707 9.129 1.00 0.00 N ATOM 0 H ASN A 298 14.814 1.086 4.608 1.00 0.00 H new ATOM 0 HA ASN A 298 16.779 -0.534 6.066 1.00 0.00 H new ATOM 0 HB2 ASN A 298 17.107 1.930 6.575 1.00 0.00 H new ATOM 0 HB3 ASN A 298 15.465 1.975 7.186 1.00 0.00 H new ATOM 0 HD21 ASN A 298 17.849 1.444 10.055 1.00 0.00 H new ATOM 0 HD22 ASN A 298 17.707 2.638 8.761 1.00 0.00 H new TER 1009 ASN A 298