USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 615 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 Single : A 213 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 THR OG1 : rot 180:sc= 0.00136 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 THR OG1 : rot -22:sc= -2.48! USER MOD Single : A 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 CYS SG : rot 180:sc= -4.75! USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 ASN : amide:sc= -0.76 K(o=-0.76,f=-8!) USER MOD Single : A 260 THR OG1 : rot -160:sc= 0 USER MOD Single : A 262 TYR OH : rot -30:sc= -1.08 USER MOD Single : A 264 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.48) USER MOD Single : A 265 CYS SG : rot -128:sc= -1.31 USER MOD Single : A 266 GLN : amide:sc= -3.07! C(o=-3.1!,f=-3.3!) USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 269 TYR OH : rot -146:sc= -0.64 USER MOD Single : A 276 HIS :FLIP no HD1:sc= -4.84! C(o=-5.8!,f=-4.8!) USER MOD Single : A 277 LYS NZ :NH3+ 150:sc= 0.581 (180deg=-1.12!) USER MOD Single : A 279 THR OG1 : rot 180:sc= 0 USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 451 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 210 12.900 9.531 3.391 1.00 0.00 N ATOM 2 CA ARG A 210 12.315 10.410 2.382 1.00 0.00 C ATOM 3 C ARG A 210 10.875 10.006 2.076 1.00 0.00 C ATOM 4 O ARG A 210 9.930 10.646 2.538 1.00 0.00 O ATOM 5 CB ARG A 210 13.154 10.382 1.099 1.00 0.00 C ATOM 6 CG ARG A 210 13.730 11.737 0.720 1.00 0.00 C ATOM 7 CD ARG A 210 12.831 12.467 -0.264 1.00 0.00 C ATOM 8 NE ARG A 210 12.852 13.914 -0.055 1.00 0.00 N ATOM 9 CZ ARG A 210 13.914 14.680 -0.291 1.00 0.00 C ATOM 10 NH1 ARG A 210 15.041 14.145 -0.743 1.00 0.00 N ATOM 11 NH2 ARG A 210 13.849 15.987 -0.073 1.00 0.00 N ATOM 0 HA ARG A 210 12.310 11.425 2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 210 13.971 9.671 1.224 1.00 0.00 H new ATOM 0 HB3 ARG A 210 12.536 10.017 0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 210 13.858 12.343 1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 210 14.719 11.604 0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 210 13.150 12.243 -1.282 1.00 0.00 H new ATOM 0 HD3 ARG A 210 11.809 12.101 -0.162 1.00 0.00 H new ATOM 0 HE ARG A 210 12.004 14.362 0.292 1.00 0.00 H new ATOM 0 HH11 ARG A 210 15.097 13.141 -0.912 1.00 0.00 H new ATOM 0 HH12 ARG A 210 15.851 14.738 -0.922 1.00 0.00 H new ATOM 0 HH21 ARG A 210 12.986 16.404 0.275 1.00 0.00 H new ATOM 0 HH22 ARG A 210 14.663 16.575 -0.254 1.00 0.00 H new ATOM 24 N GLU A 211 10.716 8.943 1.297 1.00 0.00 N ATOM 25 CA GLU A 211 9.392 8.453 0.931 1.00 0.00 C ATOM 26 C GLU A 211 9.428 6.955 0.645 1.00 0.00 C ATOM 27 O GLU A 211 10.478 6.321 0.737 1.00 0.00 O ATOM 28 CB GLU A 211 8.866 9.205 -0.293 1.00 0.00 C ATOM 29 CG GLU A 211 9.771 9.095 -1.510 1.00 0.00 C ATOM 30 CD GLU A 211 9.106 8.373 -2.667 1.00 0.00 C ATOM 31 OE1 GLU A 211 8.440 9.046 -3.482 1.00 0.00 O ATOM 32 OE2 GLU A 211 9.254 7.137 -2.759 1.00 0.00 O ATOM 0 H GLU A 211 11.488 8.403 0.906 1.00 0.00 H new ATOM 0 HA GLU A 211 8.721 8.629 1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 211 7.879 8.820 -0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 211 8.742 10.257 -0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 211 10.065 10.094 -1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 211 10.684 8.567 -1.233 1.00 0.00 H new ATOM 39 N LEU A 212 8.273 6.394 0.300 1.00 0.00 N ATOM 40 CA LEU A 212 8.173 4.971 0.002 1.00 0.00 C ATOM 41 C LEU A 212 7.640 4.747 -1.409 1.00 0.00 C ATOM 42 O LEU A 212 6.795 5.501 -1.892 1.00 0.00 O ATOM 43 CB LEU A 212 7.266 4.278 1.019 1.00 0.00 C ATOM 44 CG LEU A 212 7.865 4.122 2.419 1.00 0.00 C ATOM 45 CD1 LEU A 212 6.814 3.612 3.394 1.00 0.00 C ATOM 46 CD2 LEU A 212 9.064 3.185 2.385 1.00 0.00 C ATOM 0 H LEU A 212 7.393 6.904 0.220 1.00 0.00 H new ATOM 0 HA LEU A 212 9.172 4.541 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 212 6.337 4.842 1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 212 7.007 3.290 0.639 1.00 0.00 H new ATOM 0 HG LEU A 212 8.204 5.100 2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 212 7.257 3.507 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 212 5.986 4.320 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 212 6.445 2.643 3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 212 9.477 3.086 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 212 8.750 2.206 2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 212 9.825 3.591 1.718 1.00 0.00 H new ATOM 58 N LYS A 213 8.140 3.705 -2.066 1.00 0.00 N ATOM 59 CA LYS A 213 7.712 3.381 -3.423 1.00 0.00 C ATOM 60 C LYS A 213 6.811 2.151 -3.428 1.00 0.00 C ATOM 61 O LYS A 213 6.992 1.231 -2.630 1.00 0.00 O ATOM 62 CB LYS A 213 8.929 3.140 -4.319 1.00 0.00 C ATOM 63 CG LYS A 213 9.994 4.218 -4.203 1.00 0.00 C ATOM 64 CD LYS A 213 11.177 3.752 -3.367 1.00 0.00 C ATOM 65 CE LYS A 213 11.263 4.508 -2.049 1.00 0.00 C ATOM 66 NZ LYS A 213 12.298 3.932 -1.146 1.00 0.00 N ATOM 0 H LYS A 213 8.841 3.071 -1.682 1.00 0.00 H new ATOM 0 HA LYS A 213 7.145 4.227 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 213 9.371 2.176 -4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 213 8.599 3.077 -5.356 1.00 0.00 H new ATOM 0 HG2 LYS A 213 10.339 4.497 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 213 9.560 5.111 -3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 213 11.086 2.684 -3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 213 12.100 3.894 -3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 213 11.494 5.555 -2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 213 10.293 4.483 -1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 213 12.326 4.474 -0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 213 12.064 2.940 -0.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 213 13.228 3.979 -1.609 1.00 0.00 H new ATOM 80 N ILE A 214 5.839 2.140 -4.335 1.00 0.00 N ATOM 81 CA ILE A 214 4.911 1.021 -4.445 1.00 0.00 C ATOM 82 C ILE A 214 5.631 -0.245 -4.897 1.00 0.00 C ATOM 83 O ILE A 214 6.405 -0.222 -5.853 1.00 0.00 O ATOM 84 CB ILE A 214 3.768 1.332 -5.430 1.00 0.00 C ATOM 85 CG1 ILE A 214 3.116 2.671 -5.079 1.00 0.00 C ATOM 86 CG2 ILE A 214 2.736 0.213 -5.416 1.00 0.00 C ATOM 87 CD1 ILE A 214 1.951 3.032 -5.975 1.00 0.00 C ATOM 0 H ILE A 214 5.674 2.893 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 214 4.488 0.861 -3.453 1.00 0.00 H new ATOM 0 HB ILE A 214 4.183 1.403 -6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 214 2.772 2.638 -4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 214 3.867 3.458 -5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 214 1.935 0.448 -6.117 1.00 0.00 H new ATOM 0 HG22 ILE A 214 3.211 -0.724 -5.708 1.00 0.00 H new ATOM 0 HG23 ILE A 214 2.322 0.112 -4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 214 1.539 3.993 -5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 214 2.293 3.098 -7.008 1.00 0.00 H new ATOM 0 HD13 ILE A 214 1.180 2.265 -5.897 1.00 0.00 H new ATOM 99 N GLY A 215 5.372 -1.346 -4.201 1.00 0.00 N ATOM 100 CA GLY A 215 6.004 -2.606 -4.542 1.00 0.00 C ATOM 101 C GLY A 215 7.241 -2.885 -3.709 1.00 0.00 C ATOM 102 O GLY A 215 7.893 -3.914 -3.884 1.00 0.00 O ATOM 0 H GLY A 215 4.735 -1.388 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 215 5.288 -3.416 -4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 215 6.276 -2.597 -5.597 1.00 0.00 H new ATOM 106 N ASP A 216 7.569 -1.970 -2.801 1.00 0.00 N ATOM 107 CA ASP A 216 8.738 -2.128 -1.944 1.00 0.00 C ATOM 108 C ASP A 216 8.360 -2.767 -0.613 1.00 0.00 C ATOM 109 O ASP A 216 7.259 -2.558 -0.101 1.00 0.00 O ATOM 110 CB ASP A 216 9.404 -0.773 -1.700 1.00 0.00 C ATOM 111 CG ASP A 216 10.177 -0.283 -2.909 1.00 0.00 C ATOM 112 OD1 ASP A 216 9.549 -0.062 -3.966 1.00 0.00 O ATOM 113 OD2 ASP A 216 11.411 -0.121 -2.800 1.00 0.00 O ATOM 0 H ASP A 216 7.041 -1.112 -2.640 1.00 0.00 H new ATOM 0 HA ASP A 216 9.441 -2.786 -2.454 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.642 -0.039 -1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 216 10.079 -0.851 -0.848 1.00 0.00 H new ATOM 118 N ARG A 217 9.282 -3.544 -0.054 1.00 0.00 N ATOM 119 CA ARG A 217 9.050 -4.209 1.223 1.00 0.00 C ATOM 120 C ARG A 217 9.184 -3.217 2.371 1.00 0.00 C ATOM 121 O ARG A 217 10.161 -2.472 2.448 1.00 0.00 O ATOM 122 CB ARG A 217 10.034 -5.366 1.409 1.00 0.00 C ATOM 123 CG ARG A 217 9.467 -6.526 2.210 1.00 0.00 C ATOM 124 CD ARG A 217 8.414 -7.285 1.420 1.00 0.00 C ATOM 125 NE ARG A 217 8.980 -7.948 0.249 1.00 0.00 N ATOM 126 CZ ARG A 217 9.635 -9.107 0.296 1.00 0.00 C ATOM 127 NH1 ARG A 217 9.807 -9.734 1.453 1.00 0.00 N ATOM 128 NH2 ARG A 217 10.117 -9.640 -0.818 1.00 0.00 N ATOM 0 H ARG A 217 10.197 -3.729 -0.465 1.00 0.00 H new ATOM 0 HA ARG A 217 8.036 -4.609 1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 217 10.344 -5.729 0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 217 10.929 -4.994 1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 217 10.273 -7.205 2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 217 9.030 -6.151 3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 217 7.943 -8.027 2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 217 7.632 -6.595 1.103 1.00 0.00 H new ATOM 0 HE ARG A 217 8.867 -7.497 -0.659 1.00 0.00 H new ATOM 0 HH11 ARG A 217 9.437 -9.329 2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 217 10.309 -10.621 1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 217 9.986 -9.163 -1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 217 10.619 -10.527 -0.783 1.00 0.00 H new ATOM 142 N VAL A 218 8.194 -3.207 3.253 1.00 0.00 N ATOM 143 CA VAL A 218 8.201 -2.297 4.388 1.00 0.00 C ATOM 144 C VAL A 218 7.453 -2.880 5.579 1.00 0.00 C ATOM 145 O VAL A 218 6.977 -4.016 5.536 1.00 0.00 O ATOM 146 CB VAL A 218 7.557 -0.946 4.017 1.00 0.00 C ATOM 147 CG1 VAL A 218 8.182 -0.385 2.750 1.00 0.00 C ATOM 148 CG2 VAL A 218 6.048 -1.095 3.855 1.00 0.00 C ATOM 0 H VAL A 218 7.378 -3.817 3.204 1.00 0.00 H new ATOM 0 HA VAL A 218 9.245 -2.146 4.661 1.00 0.00 H new ATOM 0 HB VAL A 218 7.744 -0.243 4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 218 7.714 0.568 2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 218 9.250 -0.235 2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 218 8.030 -1.085 1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 218 5.613 -0.130 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 218 5.836 -1.815 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 218 5.614 -1.446 4.791 1.00 0.00 H new ATOM 158 N LEU A 219 7.335 -2.082 6.632 1.00 0.00 N ATOM 159 CA LEU A 219 6.626 -2.498 7.832 1.00 0.00 C ATOM 160 C LEU A 219 5.529 -1.500 8.167 1.00 0.00 C ATOM 161 O LEU A 219 5.800 -0.323 8.386 1.00 0.00 O ATOM 162 CB LEU A 219 7.583 -2.614 9.018 1.00 0.00 C ATOM 163 CG LEU A 219 8.705 -3.641 8.863 1.00 0.00 C ATOM 164 CD1 LEU A 219 9.446 -3.811 10.179 1.00 0.00 C ATOM 165 CD2 LEU A 219 8.149 -4.973 8.383 1.00 0.00 C ATOM 0 H LEU A 219 7.723 -1.140 6.678 1.00 0.00 H new ATOM 0 HA LEU A 219 6.184 -3.475 7.639 1.00 0.00 H new ATOM 0 HB2 LEU A 219 8.031 -1.637 9.197 1.00 0.00 H new ATOM 0 HB3 LEU A 219 7.004 -2.866 9.906 1.00 0.00 H new ATOM 0 HG LEU A 219 9.408 -3.278 8.114 1.00 0.00 H new ATOM 0 HD11 LEU A 219 10.243 -4.545 10.056 1.00 0.00 H new ATOM 0 HD12 LEU A 219 9.876 -2.856 10.480 1.00 0.00 H new ATOM 0 HD13 LEU A 219 8.752 -4.154 10.946 1.00 0.00 H new ATOM 0 HD21 LEU A 219 8.963 -5.691 8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 219 7.425 -5.347 9.107 1.00 0.00 H new ATOM 0 HD23 LEU A 219 7.660 -4.837 7.419 1.00 0.00 H new ATOM 177 N VAL A 220 4.295 -1.976 8.219 1.00 0.00 N ATOM 178 CA VAL A 220 3.168 -1.111 8.542 1.00 0.00 C ATOM 179 C VAL A 220 2.969 -1.054 10.052 1.00 0.00 C ATOM 180 O VAL A 220 2.604 -2.049 10.681 1.00 0.00 O ATOM 181 CB VAL A 220 1.853 -1.563 7.858 1.00 0.00 C ATOM 182 CG1 VAL A 220 1.299 -0.450 6.981 1.00 0.00 C ATOM 183 CG2 VAL A 220 2.055 -2.835 7.046 1.00 0.00 C ATOM 0 H VAL A 220 4.048 -2.950 8.043 1.00 0.00 H new ATOM 0 HA VAL A 220 3.408 -0.119 8.159 1.00 0.00 H new ATOM 0 HB VAL A 220 1.129 -1.783 8.642 1.00 0.00 H new ATOM 0 HG11 VAL A 220 0.376 -0.785 6.508 1.00 0.00 H new ATOM 0 HG12 VAL A 220 1.096 0.429 7.593 1.00 0.00 H new ATOM 0 HG13 VAL A 220 2.028 -0.195 6.212 1.00 0.00 H new ATOM 0 HG21 VAL A 220 1.112 -3.123 6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 220 2.803 -2.658 6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 220 2.395 -3.636 7.703 1.00 0.00 H new ATOM 193 N GLY A 221 3.230 0.115 10.629 1.00 0.00 N ATOM 194 CA GLY A 221 3.092 0.283 12.062 1.00 0.00 C ATOM 195 C GLY A 221 4.351 -0.108 12.818 1.00 0.00 C ATOM 196 O GLY A 221 4.440 0.091 14.029 1.00 0.00 O ATOM 0 H GLY A 221 3.535 0.949 10.128 1.00 0.00 H new ATOM 0 HA2 GLY A 221 2.849 1.323 12.281 1.00 0.00 H new ATOM 0 HA3 GLY A 221 2.257 -0.321 12.417 1.00 0.00 H new ATOM 200 N GLY A 222 5.327 -0.667 12.102 1.00 0.00 N ATOM 201 CA GLY A 222 6.572 -1.076 12.730 1.00 0.00 C ATOM 202 C GLY A 222 6.535 -2.508 13.227 1.00 0.00 C ATOM 203 O GLY A 222 7.576 -3.152 13.360 1.00 0.00 O ATOM 0 H GLY A 222 5.276 -0.843 11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 222 7.388 -0.965 12.016 1.00 0.00 H new ATOM 0 HA3 GLY A 222 6.788 -0.411 13.566 1.00 0.00 H new ATOM 207 N THR A 223 5.336 -3.010 13.502 1.00 0.00 N ATOM 208 CA THR A 223 5.171 -4.372 13.986 1.00 0.00 C ATOM 209 C THR A 223 4.723 -5.301 12.864 1.00 0.00 C ATOM 210 O THR A 223 5.004 -6.498 12.886 1.00 0.00 O ATOM 211 CB THR A 223 4.151 -4.403 15.126 1.00 0.00 C ATOM 212 OG1 THR A 223 2.951 -3.757 14.742 1.00 0.00 O ATOM 213 CG2 THR A 223 4.650 -3.734 16.387 1.00 0.00 C ATOM 0 H THR A 223 4.464 -2.492 13.397 1.00 0.00 H new ATOM 0 HA THR A 223 6.136 -4.721 14.355 1.00 0.00 H new ATOM 0 HB THR A 223 3.980 -5.459 15.336 1.00 0.00 H new ATOM 0 HG1 THR A 223 2.311 -3.789 15.483 1.00 0.00 H new ATOM 0 HG21 THR A 223 3.881 -3.790 17.157 1.00 0.00 H new ATOM 0 HG22 THR A 223 5.550 -4.240 16.736 1.00 0.00 H new ATOM 0 HG23 THR A 223 4.879 -2.689 16.178 1.00 0.00 H new ATOM 221 N LYS A 224 4.022 -4.739 11.884 1.00 0.00 N ATOM 222 CA LYS A 224 3.534 -5.520 10.754 1.00 0.00 C ATOM 223 C LYS A 224 4.444 -5.340 9.543 1.00 0.00 C ATOM 224 O LYS A 224 5.026 -4.274 9.349 1.00 0.00 O ATOM 225 CB LYS A 224 2.102 -5.106 10.397 1.00 0.00 C ATOM 226 CG LYS A 224 1.240 -4.756 11.602 1.00 0.00 C ATOM 227 CD LYS A 224 0.622 -5.996 12.227 1.00 0.00 C ATOM 228 CE LYS A 224 1.645 -6.785 13.028 1.00 0.00 C ATOM 229 NZ LYS A 224 1.045 -7.398 14.245 1.00 0.00 N ATOM 0 H LYS A 224 3.780 -3.749 11.850 1.00 0.00 H new ATOM 0 HA LYS A 224 3.537 -6.572 11.040 1.00 0.00 H new ATOM 0 HB2 LYS A 224 2.139 -4.246 9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 224 1.627 -5.918 9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 224 1.846 -4.237 12.345 1.00 0.00 H new ATOM 0 HG3 LYS A 224 0.450 -4.069 11.298 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -0.204 -5.705 12.876 1.00 0.00 H new ATOM 0 HD3 LYS A 224 0.204 -6.629 11.445 1.00 0.00 H new ATOM 0 HE2 LYS A 224 2.072 -7.567 12.401 1.00 0.00 H new ATOM 0 HE3 LYS A 224 2.464 -6.127 13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 1.775 -7.927 14.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 0.660 -6.650 14.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 0.280 -8.046 13.967 1.00 0.00 H new ATOM 243 N ALA A 225 4.566 -6.386 8.731 1.00 0.00 N ATOM 244 CA ALA A 225 5.407 -6.334 7.540 1.00 0.00 C ATOM 245 C ALA A 225 4.583 -6.559 6.279 1.00 0.00 C ATOM 246 O ALA A 225 3.640 -7.347 6.279 1.00 0.00 O ATOM 247 CB ALA A 225 6.519 -7.365 7.627 1.00 0.00 C ATOM 0 H ALA A 225 4.094 -7.278 8.876 1.00 0.00 H new ATOM 0 HA ALA A 225 5.851 -5.340 7.487 1.00 0.00 H new ATOM 0 HB1 ALA A 225 7.136 -7.311 6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 225 7.135 -7.163 8.503 1.00 0.00 H new ATOM 0 HB3 ALA A 225 6.085 -8.362 7.710 1.00 0.00 H new ATOM 253 N GLY A 226 4.948 -5.863 5.208 1.00 0.00 N ATOM 254 CA GLY A 226 4.227 -6.007 3.959 1.00 0.00 C ATOM 255 C GLY A 226 4.867 -5.245 2.816 1.00 0.00 C ATOM 256 O GLY A 226 5.996 -4.766 2.931 1.00 0.00 O ATOM 0 H GLY A 226 5.727 -5.205 5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 226 4.171 -7.064 3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 226 3.204 -5.657 4.094 1.00 0.00 H new ATOM 260 N VAL A 227 4.139 -5.131 1.708 1.00 0.00 N ATOM 261 CA VAL A 227 4.630 -4.424 0.532 1.00 0.00 C ATOM 262 C VAL A 227 3.726 -3.246 0.187 1.00 0.00 C ATOM 263 O VAL A 227 2.504 -3.380 0.148 1.00 0.00 O ATOM 264 CB VAL A 227 4.719 -5.366 -0.689 1.00 0.00 C ATOM 265 CG1 VAL A 227 5.083 -4.590 -1.947 1.00 0.00 C ATOM 266 CG2 VAL A 227 5.722 -6.479 -0.432 1.00 0.00 C ATOM 0 H VAL A 227 3.203 -5.522 1.602 1.00 0.00 H new ATOM 0 HA VAL A 227 5.627 -4.056 0.772 1.00 0.00 H new ATOM 0 HB VAL A 227 3.739 -5.817 -0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 227 5.140 -5.275 -2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 227 4.322 -3.835 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 227 6.049 -4.104 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 227 5.771 -7.133 -1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 227 6.705 -6.047 -0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.410 -7.057 0.438 1.00 0.00 H new ATOM 276 N VAL A 228 4.333 -2.095 -0.079 1.00 0.00 N ATOM 277 CA VAL A 228 3.576 -0.902 -0.435 1.00 0.00 C ATOM 278 C VAL A 228 2.784 -1.135 -1.716 1.00 0.00 C ATOM 279 O VAL A 228 3.311 -1.666 -2.692 1.00 0.00 O ATOM 280 CB VAL A 228 4.498 0.317 -0.618 1.00 0.00 C ATOM 281 CG1 VAL A 228 3.679 1.583 -0.817 1.00 0.00 C ATOM 282 CG2 VAL A 228 5.437 0.457 0.573 1.00 0.00 C ATOM 0 H VAL A 228 5.344 -1.963 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 228 2.889 -0.696 0.386 1.00 0.00 H new ATOM 0 HB VAL A 228 5.103 0.163 -1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 228 4.349 2.433 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 228 3.055 1.477 -1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 228 3.046 1.747 0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 228 6.082 1.324 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 228 4.853 0.588 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 228 6.049 -0.440 0.661 1.00 0.00 H new ATOM 292 N ARG A 229 1.512 -0.754 -1.705 1.00 0.00 N ATOM 293 CA ARG A 229 0.653 -0.942 -2.866 1.00 0.00 C ATOM 294 C ARG A 229 0.086 0.384 -3.367 1.00 0.00 C ATOM 295 O ARG A 229 0.082 0.652 -4.568 1.00 0.00 O ATOM 296 CB ARG A 229 -0.483 -1.905 -2.518 1.00 0.00 C ATOM 297 CG ARG A 229 -0.001 -3.241 -1.969 1.00 0.00 C ATOM 298 CD ARG A 229 1.089 -3.843 -2.842 1.00 0.00 C ATOM 299 NE ARG A 229 0.999 -5.299 -2.907 1.00 0.00 N ATOM 300 CZ ARG A 229 1.768 -6.056 -3.687 1.00 0.00 C ATOM 301 NH1 ARG A 229 2.686 -5.499 -4.469 1.00 0.00 N ATOM 302 NH2 ARG A 229 1.621 -7.374 -3.687 1.00 0.00 N ATOM 0 H ARG A 229 1.054 -0.314 -0.907 1.00 0.00 H new ATOM 0 HA ARG A 229 1.257 -1.366 -3.668 1.00 0.00 H new ATOM 0 HB2 ARG A 229 -1.136 -1.434 -1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 229 -1.083 -2.083 -3.410 1.00 0.00 H new ATOM 0 HG2 ARG A 229 0.377 -3.104 -0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 229 -0.841 -3.933 -1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 229 1.016 -3.430 -3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 229 2.065 -3.558 -2.450 1.00 0.00 H new ATOM 0 HE ARG A 229 0.306 -5.764 -2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 229 2.805 -4.486 -4.474 1.00 0.00 H new ATOM 0 HH12 ARG A 229 3.272 -6.084 -5.064 1.00 0.00 H new ATOM 0 HH21 ARG A 229 0.918 -7.809 -3.089 1.00 0.00 H new ATOM 0 HH22 ARG A 229 2.211 -7.953 -4.285 1.00 0.00 H new ATOM 316 N PHE A 230 -0.391 1.212 -2.443 1.00 0.00 N ATOM 317 CA PHE A 230 -0.959 2.507 -2.800 1.00 0.00 C ATOM 318 C PHE A 230 -0.683 3.539 -1.713 1.00 0.00 C ATOM 319 O PHE A 230 -0.885 3.272 -0.534 1.00 0.00 O ATOM 320 CB PHE A 230 -2.467 2.381 -3.031 1.00 0.00 C ATOM 321 CG PHE A 230 -3.081 3.595 -3.671 1.00 0.00 C ATOM 322 CD1 PHE A 230 -3.063 3.750 -5.048 1.00 0.00 C ATOM 323 CD2 PHE A 230 -3.671 4.580 -2.897 1.00 0.00 C ATOM 324 CE1 PHE A 230 -3.627 4.864 -5.641 1.00 0.00 C ATOM 325 CE2 PHE A 230 -4.236 5.696 -3.483 1.00 0.00 C ATOM 326 CZ PHE A 230 -4.213 5.839 -4.857 1.00 0.00 C ATOM 0 H PHE A 230 -0.396 1.010 -1.443 1.00 0.00 H new ATOM 0 HA PHE A 230 -0.485 2.842 -3.723 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -2.658 1.512 -3.661 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -2.958 2.196 -2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -2.603 2.992 -5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -3.690 4.474 -1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -3.610 4.972 -6.715 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -4.695 6.456 -2.868 1.00 0.00 H new ATOM 0 HZ PHE A 230 -4.652 6.712 -5.317 1.00 0.00 H new ATOM 336 N LEU A 231 -0.225 4.719 -2.116 1.00 0.00 N ATOM 337 CA LEU A 231 0.074 5.783 -1.164 1.00 0.00 C ATOM 338 C LEU A 231 -0.815 6.999 -1.404 1.00 0.00 C ATOM 339 O LEU A 231 -0.900 7.509 -2.521 1.00 0.00 O ATOM 340 CB LEU A 231 1.547 6.184 -1.258 1.00 0.00 C ATOM 341 CG LEU A 231 2.543 5.028 -1.133 1.00 0.00 C ATOM 342 CD1 LEU A 231 3.220 4.757 -2.469 1.00 0.00 C ATOM 343 CD2 LEU A 231 3.579 5.327 -0.060 1.00 0.00 C ATOM 0 H LEU A 231 -0.053 4.963 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 231 -0.127 5.404 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 231 1.712 6.683 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 231 1.760 6.913 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 231 1.993 4.134 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 231 3.924 3.932 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 231 2.467 4.495 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 231 3.755 5.650 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 231 4.278 4.494 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 231 4.123 6.234 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 231 3.080 5.468 0.899 1.00 0.00 H new ATOM 355 N GLY A 232 -1.475 7.457 -0.346 1.00 0.00 N ATOM 356 CA GLY A 232 -2.349 8.609 -0.456 1.00 0.00 C ATOM 357 C GLY A 232 -3.231 8.784 0.765 1.00 0.00 C ATOM 358 O GLY A 232 -3.087 8.064 1.752 1.00 0.00 O ATOM 0 H GLY A 232 -1.420 7.050 0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 232 -1.747 9.506 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 232 -2.976 8.503 -1.341 1.00 0.00 H new ATOM 362 N GLU A 233 -4.147 9.746 0.699 1.00 0.00 N ATOM 363 CA GLU A 233 -5.054 10.014 1.808 1.00 0.00 C ATOM 364 C GLU A 233 -6.206 9.014 1.822 1.00 0.00 C ATOM 365 O GLU A 233 -6.506 8.384 0.807 1.00 0.00 O ATOM 366 CB GLU A 233 -5.602 11.438 1.715 1.00 0.00 C ATOM 367 CG GLU A 233 -4.532 12.485 1.443 1.00 0.00 C ATOM 368 CD GLU A 233 -4.803 13.284 0.183 1.00 0.00 C ATOM 369 OE1 GLU A 233 -5.991 13.482 -0.149 1.00 0.00 O ATOM 370 OE2 GLU A 233 -3.829 13.711 -0.469 1.00 0.00 O ATOM 0 H GLU A 233 -4.280 10.352 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 233 -4.493 9.909 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -6.349 11.480 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -6.111 11.684 2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -4.470 13.164 2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -3.563 11.994 1.356 1.00 0.00 H new ATOM 377 N THR A 234 -6.847 8.872 2.977 1.00 0.00 N ATOM 378 CA THR A 234 -7.967 7.949 3.121 1.00 0.00 C ATOM 379 C THR A 234 -9.288 8.705 3.208 1.00 0.00 C ATOM 380 O THR A 234 -9.313 9.902 3.497 1.00 0.00 O ATOM 381 CB THR A 234 -7.783 7.079 4.366 1.00 0.00 C ATOM 382 OG1 THR A 234 -7.946 7.848 5.544 1.00 0.00 O ATOM 383 CG2 THR A 234 -6.425 6.415 4.436 1.00 0.00 C ATOM 0 H THR A 234 -6.610 9.384 3.827 1.00 0.00 H new ATOM 0 HA THR A 234 -7.992 7.309 2.239 1.00 0.00 H new ATOM 0 HB THR A 234 -8.546 6.304 4.292 1.00 0.00 H new ATOM 0 HG1 THR A 234 -7.786 8.794 5.342 1.00 0.00 H new ATOM 0 HG21 THR A 234 -6.361 5.813 5.343 1.00 0.00 H new ATOM 0 HG22 THR A 234 -6.288 5.774 3.565 1.00 0.00 H new ATOM 0 HG23 THR A 234 -5.647 7.178 4.451 1.00 0.00 H new ATOM 391 N ASP A 235 -10.385 8.000 2.954 1.00 0.00 N ATOM 392 CA ASP A 235 -11.711 8.605 3.001 1.00 0.00 C ATOM 393 C ASP A 235 -12.278 8.596 4.423 1.00 0.00 C ATOM 394 O ASP A 235 -13.370 9.111 4.663 1.00 0.00 O ATOM 395 CB ASP A 235 -12.662 7.868 2.057 1.00 0.00 C ATOM 396 CG ASP A 235 -12.867 8.610 0.750 1.00 0.00 C ATOM 397 OD1 ASP A 235 -13.264 9.793 0.795 1.00 0.00 O ATOM 398 OD2 ASP A 235 -12.633 8.008 -0.318 1.00 0.00 O ATOM 0 H ASP A 235 -10.382 7.009 2.713 1.00 0.00 H new ATOM 0 HA ASP A 235 -11.616 9.642 2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 235 -12.266 6.874 1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 235 -13.625 7.731 2.549 1.00 0.00 H new ATOM 403 N PHE A 236 -11.535 8.012 5.361 1.00 0.00 N ATOM 404 CA PHE A 236 -11.982 7.947 6.750 1.00 0.00 C ATOM 405 C PHE A 236 -10.969 8.598 7.693 1.00 0.00 C ATOM 406 O PHE A 236 -11.295 8.923 8.835 1.00 0.00 O ATOM 407 CB PHE A 236 -12.226 6.491 7.165 1.00 0.00 C ATOM 408 CG PHE A 236 -10.976 5.740 7.545 1.00 0.00 C ATOM 409 CD1 PHE A 236 -9.954 5.551 6.628 1.00 0.00 C ATOM 410 CD2 PHE A 236 -10.826 5.228 8.825 1.00 0.00 C ATOM 411 CE1 PHE A 236 -8.808 4.866 6.980 1.00 0.00 C ATOM 412 CE2 PHE A 236 -9.681 4.541 9.181 1.00 0.00 C ATOM 413 CZ PHE A 236 -8.671 4.360 8.258 1.00 0.00 C ATOM 0 H PHE A 236 -10.628 7.580 5.186 1.00 0.00 H new ATOM 0 HA PHE A 236 -12.918 8.501 6.824 1.00 0.00 H new ATOM 0 HB2 PHE A 236 -12.916 6.476 8.009 1.00 0.00 H new ATOM 0 HB3 PHE A 236 -12.715 5.968 6.343 1.00 0.00 H new ATOM 0 HD1 PHE A 236 -10.055 5.944 5.627 1.00 0.00 H new ATOM 0 HD2 PHE A 236 -11.613 5.368 9.552 1.00 0.00 H new ATOM 0 HE1 PHE A 236 -8.019 4.726 6.256 1.00 0.00 H new ATOM 0 HE2 PHE A 236 -9.577 4.146 10.181 1.00 0.00 H new ATOM 0 HZ PHE A 236 -7.775 3.824 8.534 1.00 0.00 H new ATOM 423 N ALA A 237 -9.739 8.784 7.216 1.00 0.00 N ATOM 424 CA ALA A 237 -8.692 9.391 8.026 1.00 0.00 C ATOM 425 C ALA A 237 -8.155 10.660 7.374 1.00 0.00 C ATOM 426 O ALA A 237 -8.066 10.750 6.150 1.00 0.00 O ATOM 427 CB ALA A 237 -7.565 8.398 8.262 1.00 0.00 C ATOM 0 H ALA A 237 -9.447 8.523 6.274 1.00 0.00 H new ATOM 0 HA ALA A 237 -9.126 9.666 8.987 1.00 0.00 H new ATOM 0 HB1 ALA A 237 -6.789 8.865 8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 237 -7.954 7.523 8.782 1.00 0.00 H new ATOM 0 HB3 ALA A 237 -7.142 8.093 7.305 1.00 0.00 H new ATOM 433 N LYS A 238 -7.793 11.636 8.200 1.00 0.00 N ATOM 434 CA LYS A 238 -7.261 12.900 7.703 1.00 0.00 C ATOM 435 C LYS A 238 -5.739 12.851 7.614 1.00 0.00 C ATOM 436 O LYS A 238 -5.074 12.288 8.484 1.00 0.00 O ATOM 437 CB LYS A 238 -7.695 14.051 8.611 1.00 0.00 C ATOM 438 CG LYS A 238 -7.193 13.925 10.040 1.00 0.00 C ATOM 439 CD LYS A 238 -8.219 13.248 10.933 1.00 0.00 C ATOM 440 CE LYS A 238 -8.259 13.880 12.317 1.00 0.00 C ATOM 441 NZ LYS A 238 -8.113 12.864 13.397 1.00 0.00 N ATOM 0 H LYS A 238 -7.858 11.576 9.216 1.00 0.00 H new ATOM 0 HA LYS A 238 -7.660 13.067 6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -7.335 14.990 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -8.784 14.103 8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -6.265 13.353 10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -6.962 14.915 10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -9.205 13.316 10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -7.981 12.188 11.023 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -7.461 14.618 12.402 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -9.201 14.413 12.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -8.145 13.335 14.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -8.889 12.174 13.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -7.203 12.372 13.290 1.00 0.00 H new ATOM 455 N GLY A 239 -5.191 13.446 6.559 1.00 0.00 N ATOM 456 CA GLY A 239 -3.751 13.459 6.378 1.00 0.00 C ATOM 457 C GLY A 239 -3.292 12.507 5.291 1.00 0.00 C ATOM 458 O GLY A 239 -4.085 12.087 4.448 1.00 0.00 O ATOM 0 H GLY A 239 -5.719 13.920 5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 239 -3.429 14.470 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 239 -3.268 13.192 7.318 1.00 0.00 H new ATOM 462 N GLU A 240 -2.006 12.168 5.308 1.00 0.00 N ATOM 463 CA GLU A 240 -1.440 11.260 4.315 1.00 0.00 C ATOM 464 C GLU A 240 -1.348 9.841 4.866 1.00 0.00 C ATOM 465 O GLU A 240 -0.923 9.630 6.001 1.00 0.00 O ATOM 466 CB GLU A 240 -0.055 11.743 3.882 1.00 0.00 C ATOM 467 CG GLU A 240 0.931 11.874 5.032 1.00 0.00 C ATOM 468 CD GLU A 240 2.373 11.898 4.564 1.00 0.00 C ATOM 469 OE1 GLU A 240 2.631 11.485 3.413 1.00 0.00 O ATOM 470 OE2 GLU A 240 3.245 12.329 5.347 1.00 0.00 O ATOM 0 H GLU A 240 -1.336 12.508 5.998 1.00 0.00 H new ATOM 0 HA GLU A 240 -2.101 11.252 3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 240 0.349 11.048 3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 240 -0.155 12.709 3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 240 0.718 12.788 5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 240 0.791 11.042 5.722 1.00 0.00 H new ATOM 477 N TRP A 241 -1.750 8.869 4.053 1.00 0.00 N ATOM 478 CA TRP A 241 -1.714 7.469 4.457 1.00 0.00 C ATOM 479 C TRP A 241 -1.077 6.605 3.374 1.00 0.00 C ATOM 480 O TRP A 241 -0.862 7.062 2.251 1.00 0.00 O ATOM 481 CB TRP A 241 -3.126 6.968 4.763 1.00 0.00 C ATOM 482 CG TRP A 241 -3.714 7.580 5.997 1.00 0.00 C ATOM 483 CD1 TRP A 241 -4.169 8.859 6.143 1.00 0.00 C ATOM 484 CD2 TRP A 241 -3.908 6.939 7.263 1.00 0.00 C ATOM 485 NE1 TRP A 241 -4.634 9.053 7.420 1.00 0.00 N ATOM 486 CE2 TRP A 241 -4.485 7.888 8.128 1.00 0.00 C ATOM 487 CE3 TRP A 241 -3.651 5.655 7.750 1.00 0.00 C ATOM 488 CZ2 TRP A 241 -4.808 7.593 9.450 1.00 0.00 C ATOM 489 CZ3 TRP A 241 -3.972 5.362 9.063 1.00 0.00 C ATOM 490 CH2 TRP A 241 -4.545 6.328 9.899 1.00 0.00 C ATOM 0 H TRP A 241 -2.105 9.026 3.110 1.00 0.00 H new ATOM 0 HA TRP A 241 -1.107 7.393 5.359 1.00 0.00 H new ATOM 0 HB2 TRP A 241 -3.774 7.185 3.914 1.00 0.00 H new ATOM 0 HB3 TRP A 241 -3.103 5.884 4.878 1.00 0.00 H new ATOM 0 HD1 TRP A 241 -4.164 9.609 5.366 1.00 0.00 H new ATOM 0 HE1 TRP A 241 -5.026 9.922 7.783 1.00 0.00 H new ATOM 0 HE3 TRP A 241 -3.209 4.904 7.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 241 -5.250 8.336 10.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 241 -3.778 4.372 9.450 1.00 0.00 H new ATOM 0 HH2 TRP A 241 -4.784 6.069 10.920 1.00 0.00 H new ATOM 501 N CYS A 242 -0.776 5.356 3.716 1.00 0.00 N ATOM 502 CA CYS A 242 -0.164 4.434 2.769 1.00 0.00 C ATOM 503 C CYS A 242 -0.765 3.037 2.898 1.00 0.00 C ATOM 504 O CYS A 242 -1.294 2.668 3.946 1.00 0.00 O ATOM 505 CB CYS A 242 1.352 4.376 2.985 1.00 0.00 C ATOM 506 SG CYS A 242 2.213 3.211 1.903 1.00 0.00 S ATOM 0 H CYS A 242 -0.946 4.961 4.641 1.00 0.00 H new ATOM 0 HA CYS A 242 -0.365 4.802 1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 242 1.768 5.372 2.831 1.00 0.00 H new ATOM 0 HB3 CYS A 242 1.549 4.105 4.022 1.00 0.00 H new ATOM 0 HG CYS A 242 3.487 3.238 2.162 1.00 0.00 H new ATOM 512 N GLY A 243 -0.674 2.267 1.819 1.00 0.00 N ATOM 513 CA GLY A 243 -1.205 0.919 1.811 1.00 0.00 C ATOM 514 C GLY A 243 -0.116 -0.121 1.664 1.00 0.00 C ATOM 515 O GLY A 243 0.693 -0.053 0.739 1.00 0.00 O ATOM 0 H GLY A 243 -0.238 2.557 0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -1.754 0.741 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -1.917 0.815 0.993 1.00 0.00 H new ATOM 519 N VAL A 244 -0.089 -1.083 2.577 1.00 0.00 N ATOM 520 CA VAL A 244 0.917 -2.137 2.541 1.00 0.00 C ATOM 521 C VAL A 244 0.271 -3.515 2.641 1.00 0.00 C ATOM 522 O VAL A 244 -0.566 -3.758 3.510 1.00 0.00 O ATOM 523 CB VAL A 244 1.936 -1.981 3.691 1.00 0.00 C ATOM 524 CG1 VAL A 244 3.175 -2.822 3.430 1.00 0.00 C ATOM 525 CG2 VAL A 244 2.313 -0.518 3.889 1.00 0.00 C ATOM 0 H VAL A 244 -0.750 -1.156 3.350 1.00 0.00 H new ATOM 0 HA VAL A 244 1.436 -2.046 1.587 1.00 0.00 H new ATOM 0 HB VAL A 244 1.466 -2.338 4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 244 3.879 -2.697 4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 244 2.892 -3.872 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 244 3.643 -2.501 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 244 3.032 -0.435 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 244 2.757 -0.130 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 244 1.420 0.058 4.132 1.00 0.00 H new ATOM 535 N GLU A 245 0.677 -4.419 1.757 1.00 0.00 N ATOM 536 CA GLU A 245 0.148 -5.776 1.757 1.00 0.00 C ATOM 537 C GLU A 245 0.918 -6.631 2.756 1.00 0.00 C ATOM 538 O GLU A 245 2.101 -6.906 2.568 1.00 0.00 O ATOM 539 CB GLU A 245 0.241 -6.390 0.360 1.00 0.00 C ATOM 540 CG GLU A 245 -0.301 -7.808 0.283 1.00 0.00 C ATOM 541 CD GLU A 245 -0.532 -8.269 -1.143 1.00 0.00 C ATOM 542 OE1 GLU A 245 0.414 -8.811 -1.753 1.00 0.00 O ATOM 543 OE2 GLU A 245 -1.659 -8.086 -1.651 1.00 0.00 O ATOM 0 H GLU A 245 1.371 -4.236 1.032 1.00 0.00 H new ATOM 0 HA GLU A 245 -0.902 -5.741 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -0.307 -5.761 -0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 245 1.283 -6.390 0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 245 0.398 -8.487 0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -1.239 -7.865 0.835 1.00 0.00 H new ATOM 550 N LEU A 246 0.244 -7.029 3.827 1.00 0.00 N ATOM 551 CA LEU A 246 0.873 -7.830 4.867 1.00 0.00 C ATOM 552 C LEU A 246 1.227 -9.224 4.361 1.00 0.00 C ATOM 553 O LEU A 246 0.626 -9.726 3.411 1.00 0.00 O ATOM 554 CB LEU A 246 -0.047 -7.932 6.084 1.00 0.00 C ATOM 555 CG LEU A 246 -0.470 -6.591 6.686 1.00 0.00 C ATOM 556 CD1 LEU A 246 -1.566 -6.793 7.721 1.00 0.00 C ATOM 557 CD2 LEU A 246 0.729 -5.886 7.306 1.00 0.00 C ATOM 0 H LEU A 246 -0.738 -6.810 3.998 1.00 0.00 H new ATOM 0 HA LEU A 246 1.799 -7.333 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -0.942 -8.484 5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 246 0.457 -8.517 6.854 1.00 0.00 H new ATOM 0 HG LEU A 246 -0.865 -5.962 5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -1.854 -5.828 8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -2.432 -7.257 7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -1.199 -7.438 8.519 1.00 0.00 H new ATOM 0 HD21 LEU A 246 0.412 -4.933 7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 246 1.152 -6.511 8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 246 1.483 -5.709 6.539 1.00 0.00 H new ATOM 569 N ASP A 247 2.214 -9.839 5.006 1.00 0.00 N ATOM 570 CA ASP A 247 2.666 -11.172 4.632 1.00 0.00 C ATOM 571 C ASP A 247 1.711 -12.243 5.153 1.00 0.00 C ATOM 572 O ASP A 247 1.564 -13.304 4.548 1.00 0.00 O ATOM 573 CB ASP A 247 4.074 -11.420 5.179 1.00 0.00 C ATOM 574 CG ASP A 247 5.018 -10.267 4.891 1.00 0.00 C ATOM 575 OD1 ASP A 247 5.048 -9.310 5.692 1.00 0.00 O ATOM 576 OD2 ASP A 247 5.727 -10.322 3.864 1.00 0.00 O ATOM 0 H ASP A 247 2.717 -9.431 5.794 1.00 0.00 H new ATOM 0 HA ASP A 247 2.684 -11.231 3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 247 4.019 -11.581 6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 247 4.476 -12.333 4.740 1.00 0.00 H new ATOM 581 N GLU A 248 1.064 -11.956 6.278 1.00 0.00 N ATOM 582 CA GLU A 248 0.123 -12.893 6.880 1.00 0.00 C ATOM 583 C GLU A 248 -1.168 -12.185 7.284 1.00 0.00 C ATOM 584 O GLU A 248 -1.246 -10.957 7.248 1.00 0.00 O ATOM 585 CB GLU A 248 0.753 -13.568 8.100 1.00 0.00 C ATOM 586 CG GLU A 248 1.438 -14.887 7.779 1.00 0.00 C ATOM 587 CD GLU A 248 0.703 -16.082 8.353 1.00 0.00 C ATOM 588 OE1 GLU A 248 0.048 -15.928 9.406 1.00 0.00 O ATOM 589 OE2 GLU A 248 0.782 -17.174 7.752 1.00 0.00 O ATOM 0 H GLU A 248 1.174 -11.081 6.791 1.00 0.00 H new ATOM 0 HA GLU A 248 -0.119 -13.654 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 248 1.480 -12.889 8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 248 -0.020 -13.742 8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 248 1.515 -14.998 6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 248 2.455 -14.868 8.171 1.00 0.00 H new ATOM 596 N PRO A 249 -2.202 -12.951 7.673 1.00 0.00 N ATOM 597 CA PRO A 249 -3.493 -12.389 8.085 1.00 0.00 C ATOM 598 C PRO A 249 -3.376 -11.556 9.360 1.00 0.00 C ATOM 599 O PRO A 249 -3.865 -11.947 10.419 1.00 0.00 O ATOM 600 CB PRO A 249 -4.378 -13.622 8.328 1.00 0.00 C ATOM 601 CG PRO A 249 -3.658 -14.764 7.691 1.00 0.00 C ATOM 602 CD PRO A 249 -2.198 -14.419 7.744 1.00 0.00 C ATOM 0 HA PRO A 249 -3.896 -11.712 7.332 1.00 0.00 H new ATOM 0 HB2 PRO A 249 -4.524 -13.796 9.394 1.00 0.00 H new ATOM 0 HB3 PRO A 249 -5.367 -13.488 7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 249 -3.858 -15.695 8.222 1.00 0.00 H new ATOM 0 HG3 PRO A 249 -3.987 -14.907 6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 249 -1.732 -14.777 8.662 1.00 0.00 H new ATOM 0 HD3 PRO A 249 -1.648 -14.862 6.913 1.00 0.00 H new ATOM 610 N LEU A 250 -2.719 -10.406 9.249 1.00 0.00 N ATOM 611 CA LEU A 250 -2.531 -9.517 10.390 1.00 0.00 C ATOM 612 C LEU A 250 -3.015 -8.103 10.075 1.00 0.00 C ATOM 613 O LEU A 250 -2.575 -7.136 10.698 1.00 0.00 O ATOM 614 CB LEU A 250 -1.057 -9.484 10.799 1.00 0.00 C ATOM 615 CG LEU A 250 -0.058 -9.484 9.639 1.00 0.00 C ATOM 616 CD1 LEU A 250 0.883 -8.293 9.736 1.00 0.00 C ATOM 617 CD2 LEU A 250 0.731 -10.785 9.612 1.00 0.00 C ATOM 0 H LEU A 250 -2.307 -10.067 8.379 1.00 0.00 H new ATOM 0 HA LEU A 250 -3.125 -9.905 11.218 1.00 0.00 H new ATOM 0 HB2 LEU A 250 -0.885 -8.595 11.406 1.00 0.00 H new ATOM 0 HB3 LEU A 250 -0.853 -10.347 11.433 1.00 0.00 H new ATOM 0 HG LEU A 250 -0.619 -9.401 8.708 1.00 0.00 H new ATOM 0 HD11 LEU A 250 1.584 -8.314 8.901 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.305 -7.369 9.702 1.00 0.00 H new ATOM 0 HD13 LEU A 250 1.435 -8.341 10.675 1.00 0.00 H new ATOM 0 HD21 LEU A 250 1.436 -10.766 8.781 1.00 0.00 H new ATOM 0 HD22 LEU A 250 1.277 -10.899 10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 250 0.046 -11.624 9.488 1.00 0.00 H new ATOM 629 N GLY A 251 -3.922 -7.988 9.111 1.00 0.00 N ATOM 630 CA GLY A 251 -4.444 -6.685 8.740 1.00 0.00 C ATOM 631 C GLY A 251 -5.858 -6.465 9.243 1.00 0.00 C ATOM 632 O GLY A 251 -6.353 -7.226 10.073 1.00 0.00 O ATOM 0 H GLY A 251 -4.304 -8.771 8.581 1.00 0.00 H new ATOM 0 HA2 GLY A 251 -3.793 -5.908 9.141 1.00 0.00 H new ATOM 0 HA3 GLY A 251 -4.428 -6.585 7.655 1.00 0.00 H new ATOM 636 N LYS A 252 -6.508 -5.419 8.741 1.00 0.00 N ATOM 637 CA LYS A 252 -7.871 -5.102 9.150 1.00 0.00 C ATOM 638 C LYS A 252 -8.835 -5.168 7.967 1.00 0.00 C ATOM 639 O LYS A 252 -9.994 -5.551 8.121 1.00 0.00 O ATOM 640 CB LYS A 252 -7.926 -3.710 9.785 1.00 0.00 C ATOM 641 CG LYS A 252 -6.773 -3.429 10.736 1.00 0.00 C ATOM 642 CD LYS A 252 -6.806 -4.354 11.941 1.00 0.00 C ATOM 643 CE LYS A 252 -5.456 -4.407 12.639 1.00 0.00 C ATOM 644 NZ LYS A 252 -5.599 -4.548 14.114 1.00 0.00 N ATOM 0 H LYS A 252 -6.113 -4.779 8.052 1.00 0.00 H new ATOM 0 HA LYS A 252 -8.178 -5.846 9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 252 -7.926 -2.959 8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 252 -8.866 -3.603 10.326 1.00 0.00 H new ATOM 0 HG2 LYS A 252 -5.827 -3.551 10.208 1.00 0.00 H new ATOM 0 HG3 LYS A 252 -6.820 -2.393 11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 252 -7.567 -4.012 12.643 1.00 0.00 H new ATOM 0 HD3 LYS A 252 -7.093 -5.357 11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 252 -4.878 -5.245 12.249 1.00 0.00 H new ATOM 0 HE3 LYS A 252 -4.895 -3.500 12.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 -4.657 -4.580 14.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 -6.128 -3.736 14.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 -6.112 -5.426 14.331 1.00 0.00 H new ATOM 658 N ASN A 253 -8.351 -4.788 6.787 1.00 0.00 N ATOM 659 CA ASN A 253 -9.177 -4.803 5.584 1.00 0.00 C ATOM 660 C ASN A 253 -8.534 -5.642 4.485 1.00 0.00 C ATOM 661 O ASN A 253 -7.374 -6.037 4.589 1.00 0.00 O ATOM 662 CB ASN A 253 -9.409 -3.375 5.082 1.00 0.00 C ATOM 663 CG ASN A 253 -8.121 -2.693 4.662 1.00 0.00 C ATOM 664 OD1 ASN A 253 -7.867 -2.498 3.474 1.00 0.00 O ATOM 665 ND2 ASN A 253 -7.299 -2.327 5.640 1.00 0.00 N ATOM 0 H ASN A 253 -7.394 -4.467 6.639 1.00 0.00 H new ATOM 0 HA ASN A 253 -10.136 -5.253 5.841 1.00 0.00 H new ATOM 0 HB2 ASN A 253 -10.097 -3.397 4.237 1.00 0.00 H new ATOM 0 HB3 ASN A 253 -9.887 -2.790 5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 253 -6.417 -1.865 5.419 1.00 0.00 H new ATOM 0 HD22 ASN A 253 -7.550 -2.509 6.612 1.00 0.00 H new ATOM 672 N ASP A 254 -9.300 -5.911 3.432 1.00 0.00 N ATOM 673 CA ASP A 254 -8.812 -6.703 2.310 1.00 0.00 C ATOM 674 C ASP A 254 -8.332 -5.806 1.171 1.00 0.00 C ATOM 675 O ASP A 254 -8.327 -6.213 0.009 1.00 0.00 O ATOM 676 CB ASP A 254 -9.910 -7.643 1.807 1.00 0.00 C ATOM 677 CG ASP A 254 -11.150 -6.893 1.359 1.00 0.00 C ATOM 678 OD1 ASP A 254 -11.178 -6.431 0.199 1.00 0.00 O ATOM 679 OD2 ASP A 254 -12.093 -6.771 2.168 1.00 0.00 O ATOM 0 H ASP A 254 -10.263 -5.591 3.333 1.00 0.00 H new ATOM 0 HA ASP A 254 -7.966 -7.295 2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 254 -9.526 -8.235 0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 254 -10.178 -8.342 2.599 1.00 0.00 H new ATOM 684 N GLY A 255 -7.927 -4.586 1.511 1.00 0.00 N ATOM 685 CA GLY A 255 -7.450 -3.657 0.503 1.00 0.00 C ATOM 686 C GLY A 255 -8.443 -2.548 0.206 1.00 0.00 C ATOM 687 O GLY A 255 -8.345 -1.879 -0.823 1.00 0.00 O ATOM 0 H GLY A 255 -7.921 -4.225 2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 255 -6.510 -3.217 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 255 -7.237 -4.203 -0.416 1.00 0.00 H new ATOM 691 N ALA A 256 -9.401 -2.349 1.108 1.00 0.00 N ATOM 692 CA ALA A 256 -10.410 -1.312 0.931 1.00 0.00 C ATOM 693 C ALA A 256 -10.677 -0.578 2.241 1.00 0.00 C ATOM 694 O ALA A 256 -10.394 -1.093 3.322 1.00 0.00 O ATOM 695 CB ALA A 256 -11.697 -1.915 0.388 1.00 0.00 C ATOM 0 H ALA A 256 -9.498 -2.891 1.966 1.00 0.00 H new ATOM 0 HA ALA A 256 -10.030 -0.588 0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 256 -12.442 -1.129 0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 256 -11.500 -2.387 -0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 256 -12.073 -2.661 1.088 1.00 0.00 H new ATOM 701 N VAL A 257 -11.225 0.629 2.134 1.00 0.00 N ATOM 702 CA VAL A 257 -11.529 1.435 3.310 1.00 0.00 C ATOM 703 C VAL A 257 -12.798 2.258 3.100 1.00 0.00 C ATOM 704 O VAL A 257 -12.880 3.064 2.173 1.00 0.00 O ATOM 705 CB VAL A 257 -10.365 2.383 3.658 1.00 0.00 C ATOM 706 CG1 VAL A 257 -10.661 3.155 4.936 1.00 0.00 C ATOM 707 CG2 VAL A 257 -9.065 1.603 3.784 1.00 0.00 C ATOM 0 H VAL A 257 -11.467 1.069 1.246 1.00 0.00 H new ATOM 0 HA VAL A 257 -11.682 0.742 4.138 1.00 0.00 H new ATOM 0 HB VAL A 257 -10.254 3.104 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -9.826 3.818 5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -11.567 3.746 4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -10.802 2.455 5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -8.253 2.287 4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -9.163 0.857 4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -8.846 1.105 2.839 1.00 0.00 H new ATOM 717 N ALA A 258 -13.783 2.048 3.967 1.00 0.00 N ATOM 718 CA ALA A 258 -15.047 2.771 3.880 1.00 0.00 C ATOM 719 C ALA A 258 -15.726 2.540 2.535 1.00 0.00 C ATOM 720 O ALA A 258 -16.504 3.375 2.072 1.00 0.00 O ATOM 721 CB ALA A 258 -14.818 4.258 4.109 1.00 0.00 C ATOM 0 H ALA A 258 -13.730 1.383 4.738 1.00 0.00 H new ATOM 0 HA ALA A 258 -15.708 2.389 4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 258 -15.769 4.787 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 258 -14.386 4.412 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 258 -14.135 4.642 3.351 1.00 0.00 H new ATOM 727 N GLY A 259 -15.433 1.404 1.912 1.00 0.00 N ATOM 728 CA GLY A 259 -16.028 1.090 0.626 1.00 0.00 C ATOM 729 C GLY A 259 -15.139 1.473 -0.543 1.00 0.00 C ATOM 730 O GLY A 259 -15.418 1.108 -1.686 1.00 0.00 O ATOM 0 H GLY A 259 -14.795 0.695 2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -16.240 0.022 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -16.982 1.609 0.536 1.00 0.00 H new ATOM 734 N THR A 260 -14.067 2.210 -0.263 1.00 0.00 N ATOM 735 CA THR A 260 -13.143 2.637 -1.304 1.00 0.00 C ATOM 736 C THR A 260 -11.924 1.721 -1.358 1.00 0.00 C ATOM 737 O THR A 260 -11.172 1.617 -0.391 1.00 0.00 O ATOM 738 CB THR A 260 -12.699 4.081 -1.060 1.00 0.00 C ATOM 739 OG1 THR A 260 -13.815 4.907 -0.776 1.00 0.00 O ATOM 740 CG2 THR A 260 -11.966 4.690 -2.237 1.00 0.00 C ATOM 0 H THR A 260 -13.819 2.522 0.676 1.00 0.00 H new ATOM 0 HA THR A 260 -13.661 2.580 -2.261 1.00 0.00 H new ATOM 0 HB THR A 260 -12.015 4.033 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 260 -13.577 5.844 -0.935 1.00 0.00 H new ATOM 0 HG21 THR A 260 -11.680 5.714 -1.997 1.00 0.00 H new ATOM 0 HG22 THR A 260 -11.072 4.104 -2.452 1.00 0.00 H new ATOM 0 HG23 THR A 260 -12.618 4.691 -3.111 1.00 0.00 H new ATOM 748 N ARG A 261 -11.736 1.061 -2.497 1.00 0.00 N ATOM 749 CA ARG A 261 -10.608 0.156 -2.675 1.00 0.00 C ATOM 750 C ARG A 261 -9.400 0.900 -3.237 1.00 0.00 C ATOM 751 O ARG A 261 -9.470 1.492 -4.314 1.00 0.00 O ATOM 752 CB ARG A 261 -10.993 -0.996 -3.606 1.00 0.00 C ATOM 753 CG ARG A 261 -9.869 -1.994 -3.834 1.00 0.00 C ATOM 754 CD ARG A 261 -10.266 -3.069 -4.835 1.00 0.00 C ATOM 755 NE ARG A 261 -10.936 -2.509 -6.008 1.00 0.00 N ATOM 756 CZ ARG A 261 -12.250 -2.308 -6.088 1.00 0.00 C ATOM 757 NH1 ARG A 261 -13.042 -2.608 -5.065 1.00 0.00 N ATOM 758 NH2 ARG A 261 -12.775 -1.801 -7.196 1.00 0.00 N ATOM 0 H ARG A 261 -12.350 1.136 -3.308 1.00 0.00 H new ATOM 0 HA ARG A 261 -10.341 -0.250 -1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -11.853 -1.519 -3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -11.305 -0.587 -4.567 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -8.984 -1.470 -4.195 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -9.599 -2.461 -2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -9.377 -3.614 -5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -10.926 -3.789 -4.351 1.00 0.00 H new ATOM 0 HE ARG A 261 -10.363 -2.257 -6.813 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -12.645 -2.996 -4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -14.047 -2.451 -5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -12.172 -1.566 -7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -13.781 -1.646 -7.259 1.00 0.00 H new ATOM 772 N TYR A 262 -8.296 0.866 -2.500 1.00 0.00 N ATOM 773 CA TYR A 262 -7.074 1.539 -2.926 1.00 0.00 C ATOM 774 C TYR A 262 -6.143 0.572 -3.651 1.00 0.00 C ATOM 775 O TYR A 262 -5.412 0.963 -4.560 1.00 0.00 O ATOM 776 CB TYR A 262 -6.360 2.151 -1.720 1.00 0.00 C ATOM 777 CG TYR A 262 -7.143 3.263 -1.056 1.00 0.00 C ATOM 778 CD1 TYR A 262 -8.224 2.980 -0.232 1.00 0.00 C ATOM 779 CD2 TYR A 262 -6.805 4.595 -1.259 1.00 0.00 C ATOM 780 CE1 TYR A 262 -8.945 3.992 0.373 1.00 0.00 C ATOM 781 CE2 TYR A 262 -7.519 5.613 -0.658 1.00 0.00 C ATOM 782 CZ TYR A 262 -8.589 5.306 0.156 1.00 0.00 C ATOM 783 OH TYR A 262 -9.305 6.317 0.756 1.00 0.00 O ATOM 0 H TYR A 262 -8.221 0.381 -1.606 1.00 0.00 H new ATOM 0 HA TYR A 262 -7.348 2.335 -3.619 1.00 0.00 H new ATOM 0 HB2 TYR A 262 -6.164 1.368 -0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 262 -5.392 2.539 -2.039 1.00 0.00 H new ATOM 0 HD1 TYR A 262 -8.506 1.952 -0.061 1.00 0.00 H new ATOM 0 HD2 TYR A 262 -5.969 4.839 -1.898 1.00 0.00 H new ATOM 0 HE1 TYR A 262 -9.783 3.755 1.012 1.00 0.00 H new ATOM 0 HE2 TYR A 262 -7.241 6.643 -0.824 1.00 0.00 H new ATOM 0 HH TYR A 262 -10.235 6.032 0.878 1.00 0.00 H new ATOM 793 N PHE A 263 -6.179 -0.693 -3.245 1.00 0.00 N ATOM 794 CA PHE A 263 -5.345 -1.719 -3.859 1.00 0.00 C ATOM 795 C PHE A 263 -5.944 -3.104 -3.645 1.00 0.00 C ATOM 796 O PHE A 263 -6.881 -3.271 -2.863 1.00 0.00 O ATOM 797 CB PHE A 263 -3.927 -1.667 -3.286 1.00 0.00 C ATOM 798 CG PHE A 263 -3.882 -1.528 -1.792 1.00 0.00 C ATOM 799 CD1 PHE A 263 -4.051 -0.290 -1.194 1.00 0.00 C ATOM 800 CD2 PHE A 263 -3.668 -2.635 -0.986 1.00 0.00 C ATOM 801 CE1 PHE A 263 -4.010 -0.158 0.179 1.00 0.00 C ATOM 802 CE2 PHE A 263 -3.624 -2.508 0.389 1.00 0.00 C ATOM 803 CZ PHE A 263 -3.795 -1.268 0.973 1.00 0.00 C ATOM 0 H PHE A 263 -6.778 -1.032 -2.492 1.00 0.00 H new ATOM 0 HA PHE A 263 -5.301 -1.523 -4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 263 -3.396 -2.574 -3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 263 -3.394 -0.829 -3.736 1.00 0.00 H new ATOM 0 HD1 PHE A 263 -4.217 0.582 -1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 263 -3.534 -3.607 -1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 263 -4.146 0.813 0.633 1.00 0.00 H new ATOM 0 HE2 PHE A 263 -3.456 -3.378 1.007 1.00 0.00 H new ATOM 0 HZ PHE A 263 -3.761 -1.166 2.048 1.00 0.00 H new ATOM 813 N GLN A 264 -5.401 -4.095 -4.345 1.00 0.00 N ATOM 814 CA GLN A 264 -5.887 -5.465 -4.230 1.00 0.00 C ATOM 815 C GLN A 264 -4.924 -6.317 -3.409 1.00 0.00 C ATOM 816 O GLN A 264 -3.727 -6.362 -3.688 1.00 0.00 O ATOM 817 CB GLN A 264 -6.073 -6.080 -5.619 1.00 0.00 C ATOM 818 CG GLN A 264 -6.934 -7.334 -5.619 1.00 0.00 C ATOM 819 CD GLN A 264 -8.283 -7.114 -4.961 1.00 0.00 C ATOM 820 OE1 GLN A 264 -9.008 -6.180 -5.302 1.00 0.00 O ATOM 821 NE2 GLN A 264 -8.624 -7.977 -4.012 1.00 0.00 N ATOM 0 H GLN A 264 -4.626 -3.975 -4.997 1.00 0.00 H new ATOM 0 HA GLN A 264 -6.849 -5.441 -3.718 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -6.525 -5.339 -6.278 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -5.095 -6.321 -6.035 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -7.085 -7.667 -6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -6.406 -8.133 -5.099 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -7.991 -8.737 -3.762 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -9.519 -7.881 -3.533 1.00 0.00 H new ATOM 830 N CYS A 265 -5.457 -6.991 -2.396 1.00 0.00 N ATOM 831 CA CYS A 265 -4.646 -7.841 -1.534 1.00 0.00 C ATOM 832 C CYS A 265 -5.488 -8.944 -0.900 1.00 0.00 C ATOM 833 O CYS A 265 -6.716 -8.862 -0.868 1.00 0.00 O ATOM 834 CB CYS A 265 -3.976 -7.004 -0.441 1.00 0.00 C ATOM 835 SG CYS A 265 -5.133 -6.069 0.585 1.00 0.00 S ATOM 0 H CYS A 265 -6.447 -6.965 -2.152 1.00 0.00 H new ATOM 0 HA CYS A 265 -3.877 -8.307 -2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -3.390 -7.664 0.199 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -3.277 -6.309 -0.907 1.00 0.00 H new ATOM 0 HG CYS A 265 -4.765 -4.823 0.629 1.00 0.00 H new ATOM 841 N GLN A 266 -4.816 -9.972 -0.393 1.00 0.00 N ATOM 842 CA GLN A 266 -5.493 -11.093 0.246 1.00 0.00 C ATOM 843 C GLN A 266 -6.292 -10.624 1.460 1.00 0.00 C ATOM 844 O GLN A 266 -6.106 -9.506 1.939 1.00 0.00 O ATOM 845 CB GLN A 266 -4.472 -12.152 0.669 1.00 0.00 C ATOM 846 CG GLN A 266 -4.209 -13.206 -0.396 1.00 0.00 C ATOM 847 CD GLN A 266 -5.477 -13.881 -0.877 1.00 0.00 C ATOM 848 OE1 GLN A 266 -5.938 -14.857 -0.283 1.00 0.00 O ATOM 849 NE2 GLN A 266 -6.048 -13.366 -1.960 1.00 0.00 N ATOM 0 H GLN A 266 -3.799 -10.051 -0.413 1.00 0.00 H new ATOM 0 HA GLN A 266 -6.185 -11.530 -0.474 1.00 0.00 H new ATOM 0 HB2 GLN A 266 -3.533 -11.659 0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 266 -4.826 -12.644 1.575 1.00 0.00 H new ATOM 0 HG2 GLN A 266 -3.705 -12.742 -1.244 1.00 0.00 H new ATOM 0 HG3 GLN A 266 -3.531 -13.959 0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 266 -5.631 -12.557 -2.420 1.00 0.00 H new ATOM 0 HE22 GLN A 266 -6.903 -13.780 -2.331 1.00 0.00 H new ATOM 858 N PRO A 267 -7.200 -11.471 1.977 1.00 0.00 N ATOM 859 CA PRO A 267 -8.021 -11.126 3.142 1.00 0.00 C ATOM 860 C PRO A 267 -7.183 -10.943 4.403 1.00 0.00 C ATOM 861 O PRO A 267 -6.269 -11.723 4.672 1.00 0.00 O ATOM 862 CB PRO A 267 -8.962 -12.326 3.292 1.00 0.00 C ATOM 863 CG PRO A 267 -8.266 -13.448 2.601 1.00 0.00 C ATOM 864 CD PRO A 267 -7.496 -12.823 1.473 1.00 0.00 C ATOM 0 HA PRO A 267 -8.543 -10.179 3.005 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -9.141 -12.559 4.342 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -9.933 -12.125 2.840 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -7.599 -13.974 3.284 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -8.982 -14.180 2.227 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -6.585 -13.378 1.251 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -8.082 -12.791 0.554 1.00 0.00 H new ATOM 872 N LYS A 268 -7.500 -9.906 5.172 1.00 0.00 N ATOM 873 CA LYS A 268 -6.776 -9.615 6.407 1.00 0.00 C ATOM 874 C LYS A 268 -5.305 -9.313 6.130 1.00 0.00 C ATOM 875 O LYS A 268 -4.463 -9.424 7.021 1.00 0.00 O ATOM 876 CB LYS A 268 -6.891 -10.791 7.382 1.00 0.00 C ATOM 877 CG LYS A 268 -8.202 -10.815 8.151 1.00 0.00 C ATOM 878 CD LYS A 268 -8.268 -9.697 9.179 1.00 0.00 C ATOM 879 CE LYS A 268 -7.570 -10.088 10.471 1.00 0.00 C ATOM 880 NZ LYS A 268 -8.210 -9.460 11.660 1.00 0.00 N ATOM 0 H LYS A 268 -8.254 -9.252 4.962 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.228 -8.730 6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -6.787 -11.724 6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -6.064 -10.747 8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -9.035 -10.719 7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -8.314 -11.777 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -7.805 -8.798 8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -9.310 -9.453 9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -7.588 -11.172 10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -6.523 -9.790 10.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -7.705 -9.752 12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -8.171 -8.425 11.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -9.203 -9.765 11.721 1.00 0.00 H new ATOM 894 N TYR A 269 -5.000 -8.924 4.894 1.00 0.00 N ATOM 895 CA TYR A 269 -3.629 -8.602 4.510 1.00 0.00 C ATOM 896 C TYR A 269 -3.473 -7.109 4.230 1.00 0.00 C ATOM 897 O TYR A 269 -2.362 -6.582 4.235 1.00 0.00 O ATOM 898 CB TYR A 269 -3.219 -9.400 3.270 1.00 0.00 C ATOM 899 CG TYR A 269 -2.670 -10.776 3.578 1.00 0.00 C ATOM 900 CD1 TYR A 269 -3.254 -11.578 4.550 1.00 0.00 C ATOM 901 CD2 TYR A 269 -1.568 -11.273 2.893 1.00 0.00 C ATOM 902 CE1 TYR A 269 -2.755 -12.835 4.830 1.00 0.00 C ATOM 903 CE2 TYR A 269 -1.064 -12.530 3.167 1.00 0.00 C ATOM 904 CZ TYR A 269 -1.662 -13.307 4.135 1.00 0.00 C ATOM 905 OH TYR A 269 -1.164 -14.561 4.410 1.00 0.00 O ATOM 0 H TYR A 269 -5.683 -8.824 4.143 1.00 0.00 H new ATOM 0 HA TYR A 269 -2.980 -8.871 5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 269 -4.084 -9.503 2.615 1.00 0.00 H new ATOM 0 HB3 TYR A 269 -2.467 -8.835 2.719 1.00 0.00 H new ATOM 0 HD1 TYR A 269 -4.112 -11.213 5.095 1.00 0.00 H new ATOM 0 HD2 TYR A 269 -1.097 -10.666 2.133 1.00 0.00 H new ATOM 0 HE1 TYR A 269 -3.219 -13.446 5.590 1.00 0.00 H new ATOM 0 HE2 TYR A 269 -0.206 -12.901 2.626 1.00 0.00 H new ATOM 0 HH TYR A 269 -0.190 -14.558 4.299 1.00 0.00 H new ATOM 915 N GLY A 270 -4.590 -6.431 3.982 1.00 0.00 N ATOM 916 CA GLY A 270 -4.545 -5.009 3.698 1.00 0.00 C ATOM 917 C GLY A 270 -4.430 -4.165 4.953 1.00 0.00 C ATOM 918 O GLY A 270 -5.320 -4.179 5.802 1.00 0.00 O ATOM 0 H GLY A 270 -5.524 -6.841 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -3.697 -4.800 3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -5.445 -4.723 3.154 1.00 0.00 H new ATOM 922 N LEU A 271 -3.332 -3.425 5.063 1.00 0.00 N ATOM 923 CA LEU A 271 -3.101 -2.564 6.217 1.00 0.00 C ATOM 924 C LEU A 271 -2.800 -1.138 5.768 1.00 0.00 C ATOM 925 O LEU A 271 -1.903 -0.908 4.955 1.00 0.00 O ATOM 926 CB LEU A 271 -1.948 -3.105 7.064 1.00 0.00 C ATOM 927 CG LEU A 271 -2.031 -2.774 8.555 1.00 0.00 C ATOM 928 CD1 LEU A 271 -3.266 -3.410 9.178 1.00 0.00 C ATOM 929 CD2 LEU A 271 -0.770 -3.232 9.274 1.00 0.00 C ATOM 0 H LEU A 271 -2.587 -3.404 4.366 1.00 0.00 H new ATOM 0 HA LEU A 271 -4.006 -2.554 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -1.910 -4.188 6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -1.011 -2.710 6.671 1.00 0.00 H new ATOM 0 HG LEU A 271 -2.114 -1.693 8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -3.307 -3.163 10.239 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -4.160 -3.031 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -3.217 -4.492 9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -0.847 -2.988 10.334 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -0.655 -4.310 9.157 1.00 0.00 H new ATOM 0 HD23 LEU A 271 0.096 -2.726 8.847 1.00 0.00 H new ATOM 941 N PHE A 272 -3.560 -0.184 6.293 1.00 0.00 N ATOM 942 CA PHE A 272 -3.381 1.220 5.939 1.00 0.00 C ATOM 943 C PHE A 272 -2.688 1.991 7.058 1.00 0.00 C ATOM 944 O PHE A 272 -3.261 2.189 8.128 1.00 0.00 O ATOM 945 CB PHE A 272 -4.738 1.862 5.644 1.00 0.00 C ATOM 946 CG PHE A 272 -5.290 1.528 4.288 1.00 0.00 C ATOM 947 CD1 PHE A 272 -5.465 0.209 3.903 1.00 0.00 C ATOM 948 CD2 PHE A 272 -5.634 2.534 3.401 1.00 0.00 C ATOM 949 CE1 PHE A 272 -5.977 -0.100 2.657 1.00 0.00 C ATOM 950 CE2 PHE A 272 -6.147 2.232 2.154 1.00 0.00 C ATOM 951 CZ PHE A 272 -6.318 0.913 1.782 1.00 0.00 C ATOM 0 H PHE A 272 -4.307 -0.357 6.966 1.00 0.00 H new ATOM 0 HA PHE A 272 -2.751 1.262 5.050 1.00 0.00 H new ATOM 0 HB2 PHE A 272 -5.452 1.544 6.404 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -4.643 2.944 5.730 1.00 0.00 H new ATOM 0 HD1 PHE A 272 -5.199 -0.586 4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 272 -5.500 3.567 3.687 1.00 0.00 H new ATOM 0 HE1 PHE A 272 -6.110 -1.132 2.368 1.00 0.00 H new ATOM 0 HE2 PHE A 272 -6.414 3.026 1.472 1.00 0.00 H new ATOM 0 HZ PHE A 272 -6.718 0.674 0.808 1.00 0.00 H new ATOM 961 N ALA A 273 -1.463 2.438 6.803 1.00 0.00 N ATOM 962 CA ALA A 273 -0.711 3.203 7.792 1.00 0.00 C ATOM 963 C ALA A 273 0.075 4.335 7.130 1.00 0.00 C ATOM 964 O ALA A 273 0.529 4.205 5.993 1.00 0.00 O ATOM 965 CB ALA A 273 0.228 2.303 8.582 1.00 0.00 C ATOM 0 H ALA A 273 -0.971 2.285 5.923 1.00 0.00 H new ATOM 0 HA ALA A 273 -1.431 3.642 8.483 1.00 0.00 H new ATOM 0 HB1 ALA A 273 0.776 2.900 9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 273 -0.351 1.538 9.100 1.00 0.00 H new ATOM 0 HB3 ALA A 273 0.933 1.826 7.901 1.00 0.00 H new ATOM 971 N PRO A 274 0.240 5.463 7.837 1.00 0.00 N ATOM 972 CA PRO A 274 0.968 6.627 7.325 1.00 0.00 C ATOM 973 C PRO A 274 2.326 6.258 6.737 1.00 0.00 C ATOM 974 O PRO A 274 2.857 5.179 7.001 1.00 0.00 O ATOM 975 CB PRO A 274 1.157 7.502 8.560 1.00 0.00 C ATOM 976 CG PRO A 274 0.039 7.135 9.472 1.00 0.00 C ATOM 977 CD PRO A 274 -0.278 5.689 9.199 1.00 0.00 C ATOM 0 HA PRO A 274 0.425 7.112 6.514 1.00 0.00 H new ATOM 0 HB2 PRO A 274 2.124 7.319 9.028 1.00 0.00 H new ATOM 0 HB3 PRO A 274 1.124 8.560 8.302 1.00 0.00 H new ATOM 0 HG2 PRO A 274 0.325 7.279 10.514 1.00 0.00 H new ATOM 0 HG3 PRO A 274 -0.832 7.764 9.290 1.00 0.00 H new ATOM 0 HD2 PRO A 274 0.202 5.031 9.923 1.00 0.00 H new ATOM 0 HD3 PRO A 274 -1.350 5.497 9.256 1.00 0.00 H new ATOM 985 N VAL A 275 2.885 7.168 5.947 1.00 0.00 N ATOM 986 CA VAL A 275 4.183 6.947 5.326 1.00 0.00 C ATOM 987 C VAL A 275 5.302 7.012 6.362 1.00 0.00 C ATOM 988 O VAL A 275 6.327 6.344 6.225 1.00 0.00 O ATOM 989 CB VAL A 275 4.458 7.980 4.214 1.00 0.00 C ATOM 990 CG1 VAL A 275 4.483 9.390 4.785 1.00 0.00 C ATOM 991 CG2 VAL A 275 5.761 7.662 3.499 1.00 0.00 C ATOM 0 H VAL A 275 2.458 8.067 5.722 1.00 0.00 H new ATOM 0 HA VAL A 275 4.160 5.951 4.883 1.00 0.00 H new ATOM 0 HB VAL A 275 3.649 7.924 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 275 4.678 10.103 3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 275 3.520 9.614 5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 275 5.269 9.464 5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 275 5.937 8.402 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 275 6.583 7.686 4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 275 5.698 6.670 3.051 1.00 0.00 H new ATOM 1001 N HIS A 276 5.098 7.820 7.400 1.00 0.00 N ATOM 1002 CA HIS A 276 6.094 7.967 8.458 1.00 0.00 C ATOM 1003 C HIS A 276 6.082 6.758 9.387 1.00 0.00 C ATOM 1004 O HIS A 276 7.100 6.420 9.992 1.00 0.00 O ATOM 1005 CB HIS A 276 5.849 9.249 9.258 1.00 0.00 C ATOM 1006 CG HIS A 276 4.430 9.427 9.703 1.00 0.00 C ATOM 1007 ND1 HIS A 276 3.592 8.588 10.361 1.00 0.00 N flip ATOM 1008 CD2 HIS A 276 3.714 10.586 9.488 1.00 0.00 C flip ATOM 1009 CE1 HIS A 276 2.403 9.253 10.530 1.00 0.00 C flip ATOM 1010 NE2 HIS A 276 2.502 10.457 9.995 1.00 0.00 N flip ATOM 0 H HIS A 276 4.256 8.381 7.531 1.00 0.00 H new ATOM 0 HA HIS A 276 7.075 8.032 7.988 1.00 0.00 H new ATOM 0 HB2 HIS A 276 6.497 9.247 10.135 1.00 0.00 H new ATOM 0 HB3 HIS A 276 6.138 10.106 8.650 1.00 0.00 H new ATOM 0 HD2 HIS A 276 4.088 11.464 8.982 1.00 0.00 H new ATOM 0 HE1 HIS A 276 1.527 8.856 11.021 1.00 0.00 H new ATOM 0 HE2 HIS A 276 1.768 11.165 9.977 1.00 0.00 H new ATOM 1019 N LYS A 277 4.929 6.104 9.492 1.00 0.00 N ATOM 1020 CA LYS A 277 4.795 4.928 10.342 1.00 0.00 C ATOM 1021 C LYS A 277 5.360 3.692 9.653 1.00 0.00 C ATOM 1022 O LYS A 277 5.680 2.698 10.304 1.00 0.00 O ATOM 1023 CB LYS A 277 3.328 4.689 10.703 1.00 0.00 C ATOM 1024 CG LYS A 277 2.833 5.551 11.854 1.00 0.00 C ATOM 1025 CD LYS A 277 2.439 4.704 13.058 1.00 0.00 C ATOM 1026 CE LYS A 277 3.284 5.034 14.278 1.00 0.00 C ATOM 1027 NZ LYS A 277 3.440 6.503 14.467 1.00 0.00 N ATOM 0 H LYS A 277 4.076 6.369 8.999 1.00 0.00 H new ATOM 0 HA LYS A 277 5.362 5.111 11.255 1.00 0.00 H new ATOM 0 HB2 LYS A 277 2.711 4.881 9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 277 3.193 3.639 10.963 1.00 0.00 H new ATOM 0 HG2 LYS A 277 3.613 6.256 12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 277 1.976 6.140 11.526 1.00 0.00 H new ATOM 0 HD2 LYS A 277 1.386 4.868 13.289 1.00 0.00 H new ATOM 0 HD3 LYS A 277 2.551 3.648 12.812 1.00 0.00 H new ATOM 0 HE2 LYS A 277 2.824 4.601 15.166 1.00 0.00 H new ATOM 0 HE3 LYS A 277 4.267 4.575 14.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 277 3.546 6.713 15.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 277 4.284 6.831 13.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 277 2.600 6.992 14.098 1.00 0.00 H new ATOM 1041 N VAL A 278 5.483 3.760 8.332 1.00 0.00 N ATOM 1042 CA VAL A 278 6.010 2.644 7.564 1.00 0.00 C ATOM 1043 C VAL A 278 7.509 2.787 7.336 1.00 0.00 C ATOM 1044 O VAL A 278 8.012 3.887 7.105 1.00 0.00 O ATOM 1045 CB VAL A 278 5.305 2.504 6.202 1.00 0.00 C ATOM 1046 CG1 VAL A 278 5.726 1.218 5.516 1.00 0.00 C ATOM 1047 CG2 VAL A 278 3.796 2.549 6.371 1.00 0.00 C ATOM 0 H VAL A 278 5.225 4.574 7.775 1.00 0.00 H new ATOM 0 HA VAL A 278 5.819 1.747 8.153 1.00 0.00 H new ATOM 0 HB VAL A 278 5.603 3.344 5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 278 5.218 1.135 4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 278 6.804 1.226 5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 278 5.458 0.367 6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 278 3.318 2.448 5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 278 3.478 1.731 7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 278 3.508 3.500 6.820 1.00 0.00 H new ATOM 1057 N THR A 279 8.217 1.667 7.408 1.00 0.00 N ATOM 1058 CA THR A 279 9.661 1.660 7.214 1.00 0.00 C ATOM 1059 C THR A 279 10.084 0.484 6.340 1.00 0.00 C ATOM 1060 O THR A 279 9.502 -0.598 6.413 1.00 0.00 O ATOM 1061 CB THR A 279 10.375 1.590 8.566 1.00 0.00 C ATOM 1062 OG1 THR A 279 9.496 1.949 9.618 1.00 0.00 O ATOM 1063 CG2 THR A 279 11.583 2.496 8.649 1.00 0.00 C ATOM 0 H THR A 279 7.814 0.750 7.600 1.00 0.00 H new ATOM 0 HA THR A 279 9.942 2.584 6.709 1.00 0.00 H new ATOM 0 HB THR A 279 10.706 0.556 8.665 1.00 0.00 H new ATOM 0 HG1 THR A 279 9.971 1.896 10.474 1.00 0.00 H new ATOM 0 HG21 THR A 279 12.044 2.399 9.632 1.00 0.00 H new ATOM 0 HG22 THR A 279 12.303 2.213 7.881 1.00 0.00 H new ATOM 0 HG23 THR A 279 11.274 3.530 8.493 1.00 0.00 H new ATOM 1071 N LYS A 280 11.103 0.702 5.515 1.00 0.00 N ATOM 1072 CA LYS A 280 11.603 -0.341 4.629 1.00 0.00 C ATOM 1073 C LYS A 280 12.285 -1.448 5.427 1.00 0.00 C ATOM 1074 O LYS A 280 13.068 -1.179 6.337 1.00 0.00 O ATOM 1075 CB LYS A 280 12.578 0.252 3.608 1.00 0.00 C ATOM 1076 CG LYS A 280 12.044 0.251 2.185 1.00 0.00 C ATOM 1077 CD LYS A 280 13.170 0.159 1.169 1.00 0.00 C ATOM 1078 CE LYS A 280 13.716 -1.256 1.068 1.00 0.00 C ATOM 1079 NZ LYS A 280 13.037 -2.039 -0.001 1.00 0.00 N ATOM 0 H LYS A 280 11.598 1.591 5.442 1.00 0.00 H new ATOM 0 HA LYS A 280 10.755 -0.773 4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 280 12.816 1.276 3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.510 -0.312 3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 280 11.362 -0.589 2.051 1.00 0.00 H new ATOM 0 HG3 LYS A 280 11.468 1.160 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 280 12.807 0.481 0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 280 13.973 0.840 1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 280 14.786 -1.218 0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 280 13.590 -1.763 2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 13.438 -2.998 -0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 12.019 -2.097 0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 13.179 -1.570 -0.918 1.00 0.00 H new ATOM 1093 N ILE A 281 11.980 -2.694 5.080 1.00 0.00 N ATOM 1094 CA ILE A 281 12.562 -3.843 5.764 1.00 0.00 C ATOM 1095 C ILE A 281 13.884 -4.269 5.121 1.00 0.00 C ATOM 1096 O ILE A 281 14.549 -5.185 5.604 1.00 0.00 O ATOM 1097 CB ILE A 281 11.591 -5.041 5.773 1.00 0.00 C ATOM 1098 CG1 ILE A 281 12.184 -6.206 6.568 1.00 0.00 C ATOM 1099 CG2 ILE A 281 11.267 -5.473 4.349 1.00 0.00 C ATOM 1100 CD1 ILE A 281 11.157 -7.236 6.985 1.00 0.00 C ATOM 0 H ILE A 281 11.333 -2.934 4.329 1.00 0.00 H new ATOM 0 HA ILE A 281 12.754 -3.532 6.791 1.00 0.00 H new ATOM 0 HB ILE A 281 10.665 -4.732 6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 281 12.952 -6.693 5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 281 12.677 -5.815 7.458 1.00 0.00 H new ATOM 0 HG21 ILE A 281 10.581 -6.319 4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 281 10.803 -4.644 3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 281 12.185 -5.765 3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 281 11.647 -8.033 7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 281 10.402 -6.763 7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 281 10.681 -7.655 6.098 1.00 0.00 H new ATOM 1112 N GLY A 282 14.260 -3.604 4.030 1.00 0.00 N ATOM 1113 CA GLY A 282 15.499 -3.937 3.351 1.00 0.00 C ATOM 1114 C GLY A 282 16.704 -3.845 4.266 1.00 0.00 C ATOM 1115 O GLY A 282 17.632 -4.649 4.164 1.00 0.00 O ATOM 0 H GLY A 282 13.729 -2.843 3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 282 15.429 -4.947 2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 282 15.638 -3.265 2.504 1.00 0.00 H new ATOM 1119 N PHE A 283 16.691 -2.863 5.161 1.00 0.00 N ATOM 1120 CA PHE A 283 17.792 -2.668 6.097 1.00 0.00 C ATOM 1121 C PHE A 283 17.437 -3.223 7.475 1.00 0.00 C ATOM 1122 O PHE A 283 16.262 -3.324 7.828 1.00 0.00 O ATOM 1123 CB PHE A 283 18.140 -1.182 6.207 1.00 0.00 C ATOM 1124 CG PHE A 283 16.941 -0.293 6.363 1.00 0.00 C ATOM 1125 CD1 PHE A 283 16.139 -0.379 7.490 1.00 0.00 C ATOM 1126 CD2 PHE A 283 16.612 0.630 5.382 1.00 0.00 C ATOM 1127 CE1 PHE A 283 15.034 0.438 7.637 1.00 0.00 C ATOM 1128 CE2 PHE A 283 15.509 1.449 5.522 1.00 0.00 C ATOM 1129 CZ PHE A 283 14.719 1.354 6.652 1.00 0.00 C ATOM 0 H PHE A 283 15.931 -2.190 5.258 1.00 0.00 H new ATOM 0 HA PHE A 283 18.659 -3.209 5.718 1.00 0.00 H new ATOM 0 HB2 PHE A 283 18.804 -1.035 7.059 1.00 0.00 H new ATOM 0 HB3 PHE A 283 18.692 -0.880 5.317 1.00 0.00 H new ATOM 0 HD1 PHE A 283 16.381 -1.093 8.263 1.00 0.00 H new ATOM 0 HD2 PHE A 283 17.226 0.709 4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 283 14.418 0.360 8.521 1.00 0.00 H new ATOM 0 HE2 PHE A 283 15.264 2.163 4.749 1.00 0.00 H new ATOM 0 HZ PHE A 283 13.857 1.995 6.765 1.00 0.00 H new TER 1139 PHE A 283 ATOM 1140 N GLY B 444 -0.886 6.669 21.406 1.00 0.00 N ATOM 1141 CA GLY B 444 -0.535 6.270 20.057 1.00 0.00 C ATOM 1142 C GLY B 444 0.825 6.788 19.634 1.00 0.00 C ATOM 1143 O GLY B 444 0.981 7.973 19.338 1.00 0.00 O ATOM 0 HA2 GLY B 444 -0.543 5.182 19.990 1.00 0.00 H new ATOM 0 HA3 GLY B 444 -1.292 6.638 19.364 1.00 0.00 H new ATOM 1146 N GLU B 445 1.812 5.899 19.606 1.00 0.00 N ATOM 1147 CA GLU B 445 3.167 6.274 19.218 1.00 0.00 C ATOM 1148 C GLU B 445 3.650 5.428 18.043 1.00 0.00 C ATOM 1149 O GLU B 445 4.084 5.957 17.020 1.00 0.00 O ATOM 1150 CB GLU B 445 4.121 6.115 20.403 1.00 0.00 C ATOM 1151 CG GLU B 445 4.364 7.407 21.167 1.00 0.00 C ATOM 1152 CD GLU B 445 5.742 7.984 20.915 1.00 0.00 C ATOM 1153 OE1 GLU B 445 6.089 8.204 19.735 1.00 0.00 O ATOM 1154 OE2 GLU B 445 6.476 8.217 21.898 1.00 0.00 O ATOM 0 H GLU B 445 1.699 4.914 19.847 1.00 0.00 H new ATOM 0 HA GLU B 445 3.154 7.319 18.909 1.00 0.00 H new ATOM 0 HB2 GLU B 445 3.716 5.369 21.087 1.00 0.00 H new ATOM 0 HB3 GLU B 445 5.075 5.732 20.042 1.00 0.00 H new ATOM 0 HG2 GLU B 445 3.610 8.140 20.882 1.00 0.00 H new ATOM 0 HG3 GLU B 445 4.241 7.222 22.234 1.00 0.00 H new ATOM 1161 N GLU B 446 3.571 4.110 18.199 1.00 0.00 N ATOM 1162 CA GLU B 446 3.999 3.189 17.152 1.00 0.00 C ATOM 1163 C GLU B 446 2.800 2.497 16.512 1.00 0.00 C ATOM 1164 O GLU B 446 2.821 2.164 15.327 1.00 0.00 O ATOM 1165 CB GLU B 446 4.960 2.146 17.723 1.00 0.00 C ATOM 1166 CG GLU B 446 4.339 1.275 18.804 1.00 0.00 C ATOM 1167 CD GLU B 446 5.262 1.070 19.990 1.00 0.00 C ATOM 1168 OE1 GLU B 446 6.077 1.975 20.270 1.00 0.00 O ATOM 1169 OE2 GLU B 446 5.167 0.008 20.639 1.00 0.00 O ATOM 0 H GLU B 446 3.215 3.656 19.040 1.00 0.00 H new ATOM 0 HA GLU B 446 4.515 3.766 16.384 1.00 0.00 H new ATOM 0 HB2 GLU B 446 5.314 1.508 16.913 1.00 0.00 H new ATOM 0 HB3 GLU B 446 5.832 2.654 18.134 1.00 0.00 H new ATOM 0 HG2 GLU B 446 3.411 1.733 19.146 1.00 0.00 H new ATOM 0 HG3 GLU B 446 4.079 0.306 18.379 1.00 0.00 H new ATOM 1176 N GLU B 447 1.756 2.282 17.306 1.00 0.00 N ATOM 1177 CA GLU B 447 0.546 1.629 16.818 1.00 0.00 C ATOM 1178 C GLU B 447 -0.675 2.517 17.032 1.00 0.00 C ATOM 1179 O GLU B 447 -0.638 3.458 17.826 1.00 0.00 O ATOM 1180 CB GLU B 447 0.346 0.288 17.528 1.00 0.00 C ATOM 1181 CG GLU B 447 1.614 -0.543 17.627 1.00 0.00 C ATOM 1182 CD GLU B 447 1.329 -2.026 17.775 1.00 0.00 C ATOM 1183 OE1 GLU B 447 0.365 -2.510 17.147 1.00 0.00 O ATOM 1184 OE2 GLU B 447 2.072 -2.700 18.518 1.00 0.00 O ATOM 0 H GLU B 447 1.723 2.550 18.290 1.00 0.00 H new ATOM 0 HA GLU B 447 0.662 1.454 15.748 1.00 0.00 H new ATOM 0 HB2 GLU B 447 -0.037 0.471 18.532 1.00 0.00 H new ATOM 0 HB3 GLU B 447 -0.414 -0.285 16.996 1.00 0.00 H new ATOM 0 HG2 GLU B 447 2.221 -0.380 16.736 1.00 0.00 H new ATOM 0 HG3 GLU B 447 2.202 -0.203 18.480 1.00 0.00 H new ATOM 1191 N GLY B 448 -1.755 2.214 16.320 1.00 0.00 N ATOM 1192 CA GLY B 448 -2.971 2.994 16.447 1.00 0.00 C ATOM 1193 C GLY B 448 -3.225 3.881 15.242 1.00 0.00 C ATOM 1194 O GLY B 448 -4.358 4.286 14.991 1.00 0.00 O ATOM 0 H GLY B 448 -1.809 1.441 15.657 1.00 0.00 H new ATOM 0 HA2 GLY B 448 -3.817 2.321 16.583 1.00 0.00 H new ATOM 0 HA3 GLY B 448 -2.909 3.613 17.342 1.00 0.00 H new ATOM 1198 N GLU B 449 -2.165 4.184 14.497 1.00 0.00 N ATOM 1199 CA GLU B 449 -2.283 5.030 13.312 1.00 0.00 C ATOM 1200 C GLU B 449 -2.433 4.193 12.051 1.00 0.00 C ATOM 1201 O GLU B 449 -2.119 4.653 10.957 1.00 0.00 O ATOM 1202 CB GLU B 449 -1.056 5.933 13.169 1.00 0.00 C ATOM 1203 CG GLU B 449 -0.471 6.396 14.495 1.00 0.00 C ATOM 1204 CD GLU B 449 -1.351 7.414 15.194 1.00 0.00 C ATOM 1205 OE1 GLU B 449 -1.761 8.394 14.538 1.00 0.00 O ATOM 1206 OE2 GLU B 449 -1.628 7.232 16.399 1.00 0.00 O ATOM 0 H GLU B 449 -1.218 3.858 14.691 1.00 0.00 H new ATOM 0 HA GLU B 449 -3.175 5.644 13.439 1.00 0.00 H new ATOM 0 HB2 GLU B 449 -0.287 5.398 12.611 1.00 0.00 H new ATOM 0 HB3 GLU B 449 -1.328 6.808 12.578 1.00 0.00 H new ATOM 0 HG2 GLU B 449 -0.330 5.534 15.147 1.00 0.00 H new ATOM 0 HG3 GLU B 449 0.514 6.830 14.322 1.00 0.00 H new ATOM 1213 N GLU B 450 -2.907 2.962 12.198 1.00 0.00 N ATOM 1214 CA GLU B 450 -3.081 2.085 11.049 1.00 0.00 C ATOM 1215 C GLU B 450 -4.451 1.415 11.064 1.00 0.00 C ATOM 1216 O GLU B 450 -5.066 1.253 12.119 1.00 0.00 O ATOM 1217 CB GLU B 450 -1.964 1.036 11.008 1.00 0.00 C ATOM 1218 CG GLU B 450 -2.199 -0.154 11.927 1.00 0.00 C ATOM 1219 CD GLU B 450 -0.969 -0.521 12.733 1.00 0.00 C ATOM 1220 OE1 GLU B 450 -0.196 0.394 13.087 1.00 0.00 O ATOM 1221 OE2 GLU B 450 -0.778 -1.723 13.011 1.00 0.00 O ATOM 0 H GLU B 450 -3.175 2.552 13.093 1.00 0.00 H new ATOM 0 HA GLU B 450 -3.022 2.694 10.147 1.00 0.00 H new ATOM 0 HB2 GLU B 450 -1.855 0.676 9.985 1.00 0.00 H new ATOM 0 HB3 GLU B 450 -1.022 1.512 11.281 1.00 0.00 H new ATOM 0 HG2 GLU B 450 -3.020 0.074 12.607 1.00 0.00 H new ATOM 0 HG3 GLU B 450 -2.508 -1.013 11.331 1.00 0.00 H new ATOM 1228 N TYR B 451 -4.925 1.030 9.883 1.00 0.00 N ATOM 1229 CA TYR B 451 -6.221 0.381 9.751 1.00 0.00 C ATOM 1230 C TYR B 451 -6.165 -0.743 8.722 1.00 0.00 C ATOM 1231 O TYR B 451 -5.071 -1.314 8.530 1.00 0.00 O ATOM 1232 CB TYR B 451 -7.285 1.403 9.349 1.00 0.00 C ATOM 1233 CG TYR B 451 -7.767 2.257 10.501 1.00 0.00 C ATOM 1234 CD1 TYR B 451 -7.067 3.392 10.889 1.00 0.00 C ATOM 1235 CD2 TYR B 451 -8.920 1.925 11.202 1.00 0.00 C ATOM 1236 CE1 TYR B 451 -7.502 4.172 11.943 1.00 0.00 C ATOM 1237 CE2 TYR B 451 -9.363 2.702 12.255 1.00 0.00 C ATOM 1238 CZ TYR B 451 -8.650 3.824 12.624 1.00 0.00 C ATOM 1239 OH TYR B 451 -9.085 4.599 13.673 1.00 0.00 O ATOM 1240 OXT TYR B 451 -7.217 -1.044 8.118 1.00 0.00 O ATOM 0 H TYR B 451 -4.427 1.158 9.002 1.00 0.00 H new ATOM 0 HA TYR B 451 -6.485 -0.049 10.717 1.00 0.00 H new ATOM 0 HB2 TYR B 451 -6.880 2.051 8.572 1.00 0.00 H new ATOM 0 HB3 TYR B 451 -8.136 0.878 8.915 1.00 0.00 H new ATOM 0 HD1 TYR B 451 -6.168 3.669 10.358 1.00 0.00 H new ATOM 0 HD2 TYR B 451 -9.479 1.045 10.919 1.00 0.00 H new ATOM 0 HE1 TYR B 451 -6.945 5.051 12.233 1.00 0.00 H new ATOM 0 HE2 TYR B 451 -10.263 2.432 12.787 1.00 0.00 H new ATOM 0 HH TYR B 451 -9.908 4.216 14.043 1.00 0.00 H new TER 1250 TYR B 451