USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 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+ 174:sc= 0.588 (180deg=0.56) USER MOD Single : A 223 THR OG1 : rot 180:sc= 0.00398 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 THR OG1 : rot -19:sc= -2.96! USER MOD Single : A 238 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0569) USER MOD Single : A 242 CYS SG : rot 180:sc= -4.32 USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 ASN : amide:sc= 0.419 K(o=0.42,f=-10!) USER MOD Single : A 260 THR OG1 : rot 173:sc= 0.771 USER MOD Single : A 262 TYR OH : rot -140:sc= -0.997 USER MOD Single : A 264 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 265 CYS SG : rot -128:sc= -2.27 USER MOD Single : A 266 GLN : amide:sc=-4.75e-05 X(o=-4.8e-05,f=0) USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 269 TYR OH : rot 180:sc=-0.00874 USER MOD Single : A 276 HIS :FLIP no HD1:sc= -4.94! C(o=-5.9!,f=-4.9!) USER MOD Single : A 277 LYS NZ :NH3+ 153:sc= 0.692 (180deg=0.419) USER MOD Single : A 279 THR OG1 : rot 180:sc=-0.00628 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 13.389 7.179 3.670 1.00 0.00 N ATOM 2 CA ARG A 210 12.302 8.093 3.998 1.00 0.00 C ATOM 3 C ARG A 210 11.088 7.834 3.110 1.00 0.00 C ATOM 4 O ARG A 210 10.052 7.364 3.580 1.00 0.00 O ATOM 5 CB ARG A 210 12.764 9.543 3.842 1.00 0.00 C ATOM 6 CG ARG A 210 12.253 10.466 4.938 1.00 0.00 C ATOM 7 CD ARG A 210 13.253 10.593 6.077 1.00 0.00 C ATOM 8 NE ARG A 210 13.630 11.983 6.323 1.00 0.00 N ATOM 9 CZ ARG A 210 14.580 12.627 5.646 1.00 0.00 C ATOM 10 NH1 ARG A 210 15.246 12.015 4.675 1.00 0.00 N ATOM 11 NH2 ARG A 210 14.861 13.889 5.940 1.00 0.00 N ATOM 0 HA ARG A 210 12.014 7.921 5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 210 13.854 9.570 3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 210 12.430 9.920 2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 210 12.051 11.452 4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 210 11.308 10.084 5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 210 12.824 10.168 6.985 1.00 0.00 H new ATOM 0 HD3 ARG A 210 14.145 10.012 5.843 1.00 0.00 H new ATOM 0 HE ARG A 210 13.136 12.491 7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 210 15.032 11.045 4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 210 15.972 12.514 4.161 1.00 0.00 H new ATOM 0 HH21 ARG A 210 14.350 14.365 6.683 1.00 0.00 H new ATOM 0 HH22 ARG A 210 15.588 14.383 5.423 1.00 0.00 H new ATOM 24 N GLU A 211 11.223 8.144 1.825 1.00 0.00 N ATOM 25 CA GLU A 211 10.137 7.944 0.872 1.00 0.00 C ATOM 26 C GLU A 211 9.947 6.462 0.569 1.00 0.00 C ATOM 27 O GLU A 211 10.908 5.690 0.568 1.00 0.00 O ATOM 28 CB GLU A 211 10.417 8.710 -0.422 1.00 0.00 C ATOM 29 CG GLU A 211 9.183 8.915 -1.286 1.00 0.00 C ATOM 30 CD GLU A 211 9.188 10.251 -2.003 1.00 0.00 C ATOM 31 OE1 GLU A 211 10.274 10.684 -2.445 1.00 0.00 O ATOM 32 OE2 GLU A 211 8.107 10.867 -2.120 1.00 0.00 O ATOM 0 H GLU A 211 12.073 8.535 1.419 1.00 0.00 H new ATOM 0 HA GLU A 211 9.219 8.326 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 211 10.843 9.682 -0.174 1.00 0.00 H new ATOM 0 HB3 GLU A 211 11.169 8.171 -0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 211 9.122 8.113 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 211 8.292 8.845 -0.662 1.00 0.00 H new ATOM 39 N LEU A 212 8.704 6.069 0.312 1.00 0.00 N ATOM 40 CA LEU A 212 8.389 4.678 0.008 1.00 0.00 C ATOM 41 C LEU A 212 7.842 4.539 -1.410 1.00 0.00 C ATOM 42 O LEU A 212 7.127 5.414 -1.898 1.00 0.00 O ATOM 43 CB LEU A 212 7.374 4.132 1.013 1.00 0.00 C ATOM 44 CG LEU A 212 7.907 3.944 2.435 1.00 0.00 C ATOM 45 CD1 LEU A 212 6.778 3.564 3.381 1.00 0.00 C ATOM 46 CD2 LEU A 212 9.002 2.888 2.457 1.00 0.00 C ATOM 0 H LEU A 212 7.898 6.694 0.308 1.00 0.00 H new ATOM 0 HA LEU A 212 9.310 4.100 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 212 6.520 4.809 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 212 7.006 3.173 0.650 1.00 0.00 H new ATOM 0 HG LEU A 212 8.334 4.889 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 212 7.175 3.434 4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 212 6.026 4.353 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 212 6.322 2.632 3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 212 9.370 2.767 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 212 8.600 1.939 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 212 9.822 3.200 1.810 1.00 0.00 H new ATOM 58 N LYS A 213 8.183 3.433 -2.063 1.00 0.00 N ATOM 59 CA LYS A 213 7.725 3.177 -3.423 1.00 0.00 C ATOM 60 C LYS A 213 6.829 1.944 -3.470 1.00 0.00 C ATOM 61 O LYS A 213 7.052 0.974 -2.744 1.00 0.00 O ATOM 62 CB LYS A 213 8.921 2.988 -4.359 1.00 0.00 C ATOM 63 CG LYS A 213 9.933 4.121 -4.289 1.00 0.00 C ATOM 64 CD LYS A 213 11.162 3.725 -3.486 1.00 0.00 C ATOM 65 CE LYS A 213 11.137 4.326 -2.089 1.00 0.00 C ATOM 66 NZ LYS A 213 12.328 5.179 -1.829 1.00 0.00 N ATOM 0 H LYS A 213 8.775 2.700 -1.672 1.00 0.00 H new ATOM 0 HA LYS A 213 7.146 4.039 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 213 9.420 2.051 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 213 8.560 2.897 -5.383 1.00 0.00 H new ATOM 0 HG2 LYS A 213 10.233 4.405 -5.298 1.00 0.00 H new ATOM 0 HG3 LYS A 213 9.469 4.997 -3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 213 11.216 2.639 -3.414 1.00 0.00 H new ATOM 0 HD3 LYS A 213 12.060 4.055 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 213 10.231 4.920 -1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 213 11.096 3.525 -1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 213 12.223 5.650 -0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 213 13.183 4.588 -1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 213 12.411 5.897 -2.577 1.00 0.00 H new ATOM 80 N ILE A 214 5.815 1.987 -4.327 1.00 0.00 N ATOM 81 CA ILE A 214 4.886 0.873 -4.468 1.00 0.00 C ATOM 82 C ILE A 214 5.610 -0.392 -4.919 1.00 0.00 C ATOM 83 O ILE A 214 6.461 -0.347 -5.808 1.00 0.00 O ATOM 84 CB ILE A 214 3.761 1.198 -5.468 1.00 0.00 C ATOM 85 CG1 ILE A 214 3.085 2.520 -5.095 1.00 0.00 C ATOM 86 CG2 ILE A 214 2.740 0.067 -5.507 1.00 0.00 C ATOM 87 CD1 ILE A 214 1.922 2.882 -5.992 1.00 0.00 C ATOM 0 H ILE A 214 5.616 2.782 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 214 4.444 0.704 -3.486 1.00 0.00 H new ATOM 0 HB ILE A 214 4.197 1.301 -6.462 1.00 0.00 H new ATOM 0 HG12 ILE A 214 2.733 2.460 -4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 214 3.825 3.320 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 214 1.952 0.313 -6.219 1.00 0.00 H new ATOM 0 HG22 ILE A 214 3.231 -0.856 -5.814 1.00 0.00 H new ATOM 0 HG23 ILE A 214 2.306 -0.065 -4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 214 1.493 3.830 -5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 214 2.271 2.975 -7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 214 1.163 2.102 -5.936 1.00 0.00 H new ATOM 99 N GLY A 215 5.270 -1.516 -4.297 1.00 0.00 N ATOM 100 CA GLY A 215 5.899 -2.776 -4.645 1.00 0.00 C ATOM 101 C GLY A 215 7.124 -3.072 -3.798 1.00 0.00 C ATOM 102 O GLY A 215 7.751 -4.120 -3.952 1.00 0.00 O ATOM 0 H GLY A 215 4.570 -1.577 -3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 215 5.176 -3.583 -4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 215 6.185 -2.756 -5.697 1.00 0.00 H new ATOM 106 N ASP A 216 7.468 -2.148 -2.903 1.00 0.00 N ATOM 107 CA ASP A 216 8.627 -2.321 -2.036 1.00 0.00 C ATOM 108 C ASP A 216 8.225 -2.928 -0.696 1.00 0.00 C ATOM 109 O ASP A 216 7.134 -2.668 -0.187 1.00 0.00 O ATOM 110 CB ASP A 216 9.327 -0.981 -1.812 1.00 0.00 C ATOM 111 CG ASP A 216 10.083 -0.511 -3.040 1.00 0.00 C ATOM 112 OD1 ASP A 216 9.677 -0.878 -4.162 1.00 0.00 O ATOM 113 OD2 ASP A 216 11.080 0.223 -2.879 1.00 0.00 O ATOM 0 H ASP A 216 6.961 -1.275 -2.761 1.00 0.00 H new ATOM 0 HA ASP A 216 9.316 -3.006 -2.530 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.588 -0.230 -1.534 1.00 0.00 H new ATOM 0 HB3 ASP A 216 10.019 -1.071 -0.975 1.00 0.00 H new ATOM 118 N ARG A 217 9.118 -3.731 -0.127 1.00 0.00 N ATOM 119 CA ARG A 217 8.860 -4.370 1.158 1.00 0.00 C ATOM 120 C ARG A 217 9.038 -3.373 2.295 1.00 0.00 C ATOM 121 O ARG A 217 10.012 -2.622 2.330 1.00 0.00 O ATOM 122 CB ARG A 217 9.798 -5.562 1.357 1.00 0.00 C ATOM 123 CG ARG A 217 9.166 -6.715 2.121 1.00 0.00 C ATOM 124 CD ARG A 217 8.254 -7.540 1.227 1.00 0.00 C ATOM 125 NE ARG A 217 8.938 -8.711 0.680 1.00 0.00 N ATOM 126 CZ ARG A 217 8.314 -9.704 0.047 1.00 0.00 C ATOM 127 NH1 ARG A 217 6.998 -9.672 -0.118 1.00 0.00 N ATOM 128 NH2 ARG A 217 9.010 -10.730 -0.422 1.00 0.00 N ATOM 0 H ARG A 217 10.026 -3.954 -0.535 1.00 0.00 H new ATOM 0 HA ARG A 217 7.830 -4.726 1.163 1.00 0.00 H new ATOM 0 HB2 ARG A 217 10.127 -5.921 0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 217 10.688 -5.228 1.891 1.00 0.00 H new ATOM 0 HG2 ARG A 217 9.948 -7.353 2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 217 8.596 -6.325 2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 217 7.382 -7.862 1.797 1.00 0.00 H new ATOM 0 HD3 ARG A 217 7.889 -6.919 0.409 1.00 0.00 H new ATOM 0 HE ARG A 217 9.950 -8.771 0.789 1.00 0.00 H new ATOM 0 HH11 ARG A 217 6.458 -8.884 0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 217 6.526 -10.435 -0.603 1.00 0.00 H new ATOM 0 HH21 ARG A 217 10.022 -10.759 -0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 217 8.534 -11.491 -0.907 1.00 0.00 H new ATOM 142 N VAL A 218 8.086 -3.363 3.220 1.00 0.00 N ATOM 143 CA VAL A 218 8.134 -2.448 4.351 1.00 0.00 C ATOM 144 C VAL A 218 7.383 -3.006 5.552 1.00 0.00 C ATOM 145 O VAL A 218 6.876 -4.128 5.519 1.00 0.00 O ATOM 146 CB VAL A 218 7.528 -1.080 3.983 1.00 0.00 C ATOM 147 CG1 VAL A 218 8.144 -0.546 2.700 1.00 0.00 C ATOM 148 CG2 VAL A 218 6.011 -1.183 3.853 1.00 0.00 C ATOM 0 H VAL A 218 7.272 -3.978 3.208 1.00 0.00 H new ATOM 0 HA VAL A 218 9.186 -2.325 4.611 1.00 0.00 H new ATOM 0 HB VAL A 218 7.755 -0.378 4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 218 7.702 0.421 2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 218 9.219 -0.430 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 218 7.953 -1.246 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 218 5.601 -0.207 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 218 5.761 -1.902 3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 218 5.586 -1.514 4.801 1.00 0.00 H new ATOM 158 N LEU A 219 7.299 -2.202 6.605 1.00 0.00 N ATOM 159 CA LEU A 219 6.591 -2.593 7.815 1.00 0.00 C ATOM 160 C LEU A 219 5.518 -1.569 8.149 1.00 0.00 C ATOM 161 O LEU A 219 5.816 -0.395 8.353 1.00 0.00 O ATOM 162 CB LEU A 219 7.555 -2.719 8.995 1.00 0.00 C ATOM 163 CG LEU A 219 8.648 -3.779 8.846 1.00 0.00 C ATOM 164 CD1 LEU A 219 9.377 -3.970 10.166 1.00 0.00 C ATOM 165 CD2 LEU A 219 8.057 -5.093 8.363 1.00 0.00 C ATOM 0 H LEU A 219 7.715 -1.271 6.644 1.00 0.00 H new ATOM 0 HA LEU A 219 6.127 -3.563 7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 219 8.031 -1.752 9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 219 6.976 -2.943 9.891 1.00 0.00 H new ATOM 0 HG LEU A 219 9.366 -3.437 8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 219 10.152 -4.727 10.047 1.00 0.00 H new ATOM 0 HD12 LEU A 219 9.833 -3.028 10.469 1.00 0.00 H new ATOM 0 HD13 LEU A 219 8.669 -4.293 10.929 1.00 0.00 H new ATOM 0 HD21 LEU A 219 8.850 -5.834 8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 219 7.319 -5.446 9.083 1.00 0.00 H new ATOM 0 HD23 LEU A 219 7.577 -4.943 7.396 1.00 0.00 H new ATOM 177 N VAL A 220 4.275 -2.017 8.218 1.00 0.00 N ATOM 178 CA VAL A 220 3.169 -1.124 8.542 1.00 0.00 C ATOM 179 C VAL A 220 2.977 -1.054 10.053 1.00 0.00 C ATOM 180 O VAL A 220 2.578 -2.032 10.687 1.00 0.00 O ATOM 181 CB VAL A 220 1.841 -1.551 7.867 1.00 0.00 C ATOM 182 CG1 VAL A 220 1.298 -0.427 6.999 1.00 0.00 C ATOM 183 CG2 VAL A 220 2.021 -2.822 7.047 1.00 0.00 C ATOM 0 H VAL A 220 4.005 -2.987 8.056 1.00 0.00 H new ATOM 0 HA VAL A 220 3.431 -0.140 8.153 1.00 0.00 H new ATOM 0 HB VAL A 220 1.118 -1.762 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 220 0.365 -0.745 6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 220 1.114 0.453 7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 220 2.025 -0.182 6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 220 1.072 -3.095 6.586 1.00 0.00 H new ATOM 0 HG22 VAL A 220 2.766 -2.651 6.270 1.00 0.00 H new ATOM 0 HG23 VAL A 220 2.355 -3.630 7.697 1.00 0.00 H new ATOM 193 N GLY A 221 3.279 0.108 10.625 1.00 0.00 N ATOM 194 CA GLY A 221 3.149 0.287 12.058 1.00 0.00 C ATOM 195 C GLY A 221 4.395 -0.143 12.814 1.00 0.00 C ATOM 196 O GLY A 221 4.490 0.057 14.025 1.00 0.00 O ATOM 0 H GLY A 221 3.612 0.929 10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 221 2.942 1.335 12.273 1.00 0.00 H new ATOM 0 HA3 GLY A 221 2.294 -0.287 12.416 1.00 0.00 H new ATOM 200 N GLY A 222 5.354 -0.735 12.102 1.00 0.00 N ATOM 201 CA GLY A 222 6.582 -1.184 12.733 1.00 0.00 C ATOM 202 C GLY A 222 6.501 -2.616 13.222 1.00 0.00 C ATOM 203 O GLY A 222 7.519 -3.298 13.341 1.00 0.00 O ATOM 0 H GLY A 222 5.300 -0.911 11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 222 7.404 -1.093 12.023 1.00 0.00 H new ATOM 0 HA3 GLY A 222 6.813 -0.530 13.574 1.00 0.00 H new ATOM 207 N THR A 223 5.288 -3.073 13.511 1.00 0.00 N ATOM 208 CA THR A 223 5.076 -4.431 13.992 1.00 0.00 C ATOM 209 C THR A 223 4.596 -5.339 12.867 1.00 0.00 C ATOM 210 O THR A 223 4.824 -6.548 12.890 1.00 0.00 O ATOM 211 CB THR A 223 4.057 -4.428 15.131 1.00 0.00 C ATOM 212 OG1 THR A 223 2.896 -3.707 14.762 1.00 0.00 O ATOM 213 CG2 THR A 223 4.594 -3.817 16.405 1.00 0.00 C ATOM 0 H THR A 223 4.435 -2.521 13.420 1.00 0.00 H new ATOM 0 HA THR A 223 6.027 -4.816 14.360 1.00 0.00 H new ATOM 0 HB THR A 223 3.825 -5.476 15.319 1.00 0.00 H new ATOM 0 HG1 THR A 223 2.255 -3.718 15.503 1.00 0.00 H new ATOM 0 HG21 THR A 223 3.823 -3.845 17.175 1.00 0.00 H new ATOM 0 HG22 THR A 223 5.463 -4.382 16.741 1.00 0.00 H new ATOM 0 HG23 THR A 223 4.884 -2.783 16.219 1.00 0.00 H new ATOM 221 N LYS A 224 3.926 -4.747 11.884 1.00 0.00 N ATOM 222 CA LYS A 224 3.408 -5.502 10.751 1.00 0.00 C ATOM 223 C LYS A 224 4.334 -5.362 9.547 1.00 0.00 C ATOM 224 O LYS A 224 4.958 -4.320 9.353 1.00 0.00 O ATOM 225 CB LYS A 224 1.999 -5.019 10.386 1.00 0.00 C ATOM 226 CG LYS A 224 1.170 -4.566 11.582 1.00 0.00 C ATOM 227 CD LYS A 224 0.461 -5.735 12.247 1.00 0.00 C ATOM 228 CE LYS A 224 1.449 -6.721 12.847 1.00 0.00 C ATOM 229 NZ LYS A 224 0.850 -7.495 13.970 1.00 0.00 N ATOM 0 H LYS A 224 3.729 -3.747 11.850 1.00 0.00 H new ATOM 0 HA LYS A 224 3.358 -6.553 11.035 1.00 0.00 H new ATOM 0 HB2 LYS A 224 2.081 -4.193 9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 224 1.471 -5.824 9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 224 1.816 -4.072 12.307 1.00 0.00 H new ATOM 0 HG3 LYS A 224 0.434 -3.830 11.258 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -0.202 -5.362 13.028 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -0.165 -6.246 11.515 1.00 0.00 H new ATOM 0 HE2 LYS A 224 1.790 -7.409 12.073 1.00 0.00 H new ATOM 0 HE3 LYS A 224 2.327 -6.183 13.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 1.556 -8.156 14.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 0.547 -6.841 14.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 0.027 -8.029 13.624 1.00 0.00 H new ATOM 243 N ALA A 225 4.422 -6.415 8.742 1.00 0.00 N ATOM 244 CA ALA A 225 5.274 -6.401 7.558 1.00 0.00 C ATOM 245 C ALA A 225 4.459 -6.640 6.296 1.00 0.00 C ATOM 246 O ALA A 225 3.538 -7.455 6.288 1.00 0.00 O ATOM 247 CB ALA A 225 6.370 -7.446 7.675 1.00 0.00 C ATOM 0 H ALA A 225 3.915 -7.288 8.887 1.00 0.00 H new ATOM 0 HA ALA A 225 5.733 -5.415 7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 225 6.995 -7.420 6.782 1.00 0.00 H new ATOM 0 HB2 ALA A 225 6.982 -7.235 8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 225 5.921 -8.434 7.775 1.00 0.00 H new ATOM 253 N GLY A 226 4.805 -5.929 5.229 1.00 0.00 N ATOM 254 CA GLY A 226 4.090 -6.086 3.980 1.00 0.00 C ATOM 255 C GLY A 226 4.747 -5.350 2.829 1.00 0.00 C ATOM 256 O GLY A 226 5.894 -4.915 2.931 1.00 0.00 O ATOM 0 H GLY A 226 5.565 -5.249 5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 226 4.023 -7.146 3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 226 3.070 -5.722 4.103 1.00 0.00 H new ATOM 260 N VAL A 227 4.013 -5.215 1.729 1.00 0.00 N ATOM 261 CA VAL A 227 4.519 -4.531 0.546 1.00 0.00 C ATOM 262 C VAL A 227 3.643 -3.335 0.190 1.00 0.00 C ATOM 263 O VAL A 227 2.419 -3.440 0.150 1.00 0.00 O ATOM 264 CB VAL A 227 4.585 -5.488 -0.665 1.00 0.00 C ATOM 265 CG1 VAL A 227 4.944 -4.733 -1.936 1.00 0.00 C ATOM 266 CG2 VAL A 227 5.580 -6.608 -0.403 1.00 0.00 C ATOM 0 H VAL A 227 3.062 -5.572 1.633 1.00 0.00 H new ATOM 0 HA VAL A 227 5.525 -4.183 0.781 1.00 0.00 H new ATOM 0 HB VAL A 227 3.598 -5.930 -0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 227 4.984 -5.429 -2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 227 4.189 -3.972 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 227 5.917 -4.256 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 227 5.614 -7.273 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 227 6.569 -6.183 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.270 -7.171 0.477 1.00 0.00 H new ATOM 276 N VAL A 228 4.278 -2.200 -0.081 1.00 0.00 N ATOM 277 CA VAL A 228 3.550 -0.991 -0.443 1.00 0.00 C ATOM 278 C VAL A 228 2.745 -1.212 -1.717 1.00 0.00 C ATOM 279 O VAL A 228 3.254 -1.762 -2.694 1.00 0.00 O ATOM 280 CB VAL A 228 4.505 0.201 -0.643 1.00 0.00 C ATOM 281 CG1 VAL A 228 3.721 1.486 -0.860 1.00 0.00 C ATOM 282 CG2 VAL A 228 5.444 0.332 0.548 1.00 0.00 C ATOM 0 H VAL A 228 5.292 -2.093 -0.057 1.00 0.00 H new ATOM 0 HA VAL A 228 2.873 -0.761 0.379 1.00 0.00 H new ATOM 0 HB VAL A 228 5.106 0.019 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 228 4.414 2.316 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 228 3.094 1.384 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 228 3.093 1.680 0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 228 6.113 1.178 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 228 4.861 0.492 1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 228 6.031 -0.581 0.650 1.00 0.00 H new ATOM 292 N ARG A 229 1.485 -0.800 -1.698 1.00 0.00 N ATOM 293 CA ARG A 229 0.612 -0.973 -2.852 1.00 0.00 C ATOM 294 C ARG A 229 0.076 0.365 -3.353 1.00 0.00 C ATOM 295 O ARG A 229 0.068 0.629 -4.555 1.00 0.00 O ATOM 296 CB ARG A 229 -0.543 -1.906 -2.490 1.00 0.00 C ATOM 297 CG ARG A 229 -0.089 -3.241 -1.924 1.00 0.00 C ATOM 298 CD ARG A 229 0.942 -3.909 -2.821 1.00 0.00 C ATOM 299 NE ARG A 229 0.708 -5.344 -2.948 1.00 0.00 N ATOM 300 CZ ARG A 229 1.201 -6.093 -3.933 1.00 0.00 C ATOM 301 NH1 ARG A 229 1.956 -5.547 -4.877 1.00 0.00 N ATOM 302 NH2 ARG A 229 0.936 -7.393 -3.973 1.00 0.00 N ATOM 0 H ARG A 229 1.045 -0.345 -0.899 1.00 0.00 H new ATOM 0 HA ARG A 229 1.197 -1.416 -3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 229 -1.185 -1.411 -1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 229 -1.148 -2.084 -3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 229 0.335 -3.090 -0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 229 -0.950 -3.899 -1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 229 0.916 -3.449 -3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 229 1.940 -3.739 -2.416 1.00 0.00 H new ATOM 0 HE ARG A 229 0.133 -5.801 -2.240 1.00 0.00 H new ATOM 0 HH11 ARG A 229 2.162 -4.548 -4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 229 2.331 -6.126 -5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 229 0.355 -7.818 -3.250 1.00 0.00 H new ATOM 0 HH22 ARG A 229 1.313 -7.967 -4.727 1.00 0.00 H new ATOM 316 N PHE A 230 -0.370 1.207 -2.428 1.00 0.00 N ATOM 317 CA PHE A 230 -0.907 2.518 -2.782 1.00 0.00 C ATOM 318 C PHE A 230 -0.601 3.541 -1.695 1.00 0.00 C ATOM 319 O PHE A 230 -0.724 3.250 -0.510 1.00 0.00 O ATOM 320 CB PHE A 230 -2.417 2.430 -3.007 1.00 0.00 C ATOM 321 CG PHE A 230 -3.006 3.668 -3.621 1.00 0.00 C ATOM 322 CD1 PHE A 230 -2.885 3.909 -4.980 1.00 0.00 C ATOM 323 CD2 PHE A 230 -3.682 4.590 -2.838 1.00 0.00 C ATOM 324 CE1 PHE A 230 -3.425 5.047 -5.547 1.00 0.00 C ATOM 325 CE2 PHE A 230 -4.225 5.731 -3.400 1.00 0.00 C ATOM 326 CZ PHE A 230 -4.097 5.959 -4.757 1.00 0.00 C ATOM 0 H PHE A 230 -0.371 1.007 -1.428 1.00 0.00 H new ATOM 0 HA PHE A 230 -0.428 2.842 -3.706 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -2.631 1.578 -3.652 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -2.908 2.239 -2.053 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -2.362 3.199 -5.603 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -3.786 4.416 -1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -3.322 5.223 -6.607 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -4.748 6.443 -2.779 1.00 0.00 H new ATOM 0 HZ PHE A 230 -4.522 6.848 -5.199 1.00 0.00 H new ATOM 336 N LEU A 231 -0.206 4.742 -2.102 1.00 0.00 N ATOM 337 CA LEU A 231 0.112 5.800 -1.146 1.00 0.00 C ATOM 338 C LEU A 231 -0.761 7.028 -1.379 1.00 0.00 C ATOM 339 O LEU A 231 -0.816 7.564 -2.486 1.00 0.00 O ATOM 340 CB LEU A 231 1.591 6.181 -1.244 1.00 0.00 C ATOM 341 CG LEU A 231 2.572 5.009 -1.135 1.00 0.00 C ATOM 342 CD1 LEU A 231 3.277 4.775 -2.463 1.00 0.00 C ATOM 343 CD2 LEU A 231 3.587 5.261 -0.030 1.00 0.00 C ATOM 0 H LEU A 231 -0.098 5.008 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 231 -0.090 5.420 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 231 1.758 6.687 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 231 1.818 6.899 -0.456 1.00 0.00 H new ATOM 0 HG LEU A 231 2.006 4.112 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 231 3.969 3.939 -2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 231 2.539 4.547 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 231 3.829 5.672 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 231 4.275 4.418 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 231 4.147 6.170 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 231 3.068 5.376 0.922 1.00 0.00 H new ATOM 355 N GLY A 232 -1.444 7.467 -0.327 1.00 0.00 N ATOM 356 CA GLY A 232 -2.307 8.629 -0.432 1.00 0.00 C ATOM 357 C GLY A 232 -3.187 8.808 0.788 1.00 0.00 C ATOM 358 O GLY A 232 -3.047 8.083 1.773 1.00 0.00 O ATOM 0 H GLY A 232 -1.415 7.038 0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 232 -1.696 9.521 -0.569 1.00 0.00 H new ATOM 0 HA3 GLY A 232 -2.934 8.533 -1.318 1.00 0.00 H new ATOM 362 N GLU A 233 -4.094 9.776 0.725 1.00 0.00 N ATOM 363 CA GLU A 233 -5.000 10.047 1.836 1.00 0.00 C ATOM 364 C GLU A 233 -6.159 9.057 1.847 1.00 0.00 C ATOM 365 O GLU A 233 -6.443 8.408 0.839 1.00 0.00 O ATOM 366 CB GLU A 233 -5.535 11.477 1.748 1.00 0.00 C ATOM 367 CG GLU A 233 -4.450 12.519 1.530 1.00 0.00 C ATOM 368 CD GLU A 233 -4.946 13.933 1.761 1.00 0.00 C ATOM 369 OE1 GLU A 233 -6.152 14.181 1.549 1.00 0.00 O ATOM 370 OE2 GLU A 233 -4.129 14.793 2.153 1.00 0.00 O ATOM 0 H GLU A 233 -4.222 10.386 -0.082 1.00 0.00 H new ATOM 0 HA GLU A 233 -4.441 9.933 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -6.255 11.537 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -6.074 11.712 2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -3.616 12.316 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -4.068 12.433 0.513 1.00 0.00 H new ATOM 377 N THR A 234 -6.826 8.946 2.992 1.00 0.00 N ATOM 378 CA THR A 234 -7.955 8.034 3.133 1.00 0.00 C ATOM 379 C THR A 234 -9.271 8.803 3.198 1.00 0.00 C ATOM 380 O THR A 234 -9.287 10.004 3.463 1.00 0.00 O ATOM 381 CB THR A 234 -7.790 7.176 4.389 1.00 0.00 C ATOM 382 OG1 THR A 234 -7.930 7.966 5.557 1.00 0.00 O ATOM 383 CG2 THR A 234 -6.450 6.478 4.464 1.00 0.00 C ATOM 0 H THR A 234 -6.604 9.476 3.835 1.00 0.00 H new ATOM 0 HA THR A 234 -7.977 7.385 2.258 1.00 0.00 H new ATOM 0 HB THR A 234 -8.572 6.419 4.328 1.00 0.00 H new ATOM 0 HG1 THR A 234 -7.799 8.910 5.331 1.00 0.00 H new ATOM 0 HG21 THR A 234 -6.398 5.887 5.378 1.00 0.00 H new ATOM 0 HG22 THR A 234 -6.332 5.823 3.601 1.00 0.00 H new ATOM 0 HG23 THR A 234 -5.652 7.221 4.467 1.00 0.00 H new ATOM 391 N ASP A 235 -10.372 8.100 2.953 1.00 0.00 N ATOM 392 CA ASP A 235 -11.694 8.717 2.982 1.00 0.00 C ATOM 393 C ASP A 235 -12.272 8.728 4.398 1.00 0.00 C ATOM 394 O ASP A 235 -13.350 9.278 4.628 1.00 0.00 O ATOM 395 CB ASP A 235 -12.642 7.974 2.040 1.00 0.00 C ATOM 396 CG ASP A 235 -12.118 7.918 0.618 1.00 0.00 C ATOM 397 OD1 ASP A 235 -11.554 8.931 0.154 1.00 0.00 O ATOM 398 OD2 ASP A 235 -12.272 6.862 -0.030 1.00 0.00 O ATOM 0 H ASP A 235 -10.376 7.104 2.732 1.00 0.00 H new ATOM 0 HA ASP A 235 -11.589 9.750 2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 235 -12.794 6.959 2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 235 -13.615 8.465 2.047 1.00 0.00 H new ATOM 403 N PHE A 236 -11.557 8.122 5.343 1.00 0.00 N ATOM 404 CA PHE A 236 -12.016 8.074 6.729 1.00 0.00 C ATOM 405 C PHE A 236 -10.993 8.697 7.679 1.00 0.00 C ATOM 406 O PHE A 236 -11.317 9.025 8.821 1.00 0.00 O ATOM 407 CB PHE A 236 -12.305 6.624 7.145 1.00 0.00 C ATOM 408 CG PHE A 236 -11.081 5.837 7.534 1.00 0.00 C ATOM 409 CD1 PHE A 236 -10.058 5.619 6.626 1.00 0.00 C ATOM 410 CD2 PHE A 236 -10.958 5.319 8.814 1.00 0.00 C ATOM 411 CE1 PHE A 236 -8.935 4.899 6.985 1.00 0.00 C ATOM 412 CE2 PHE A 236 -9.837 4.600 9.180 1.00 0.00 C ATOM 413 CZ PHE A 236 -8.824 4.389 8.264 1.00 0.00 C ATOM 0 H PHE A 236 -10.663 7.660 5.176 1.00 0.00 H new ATOM 0 HA PHE A 236 -12.935 8.656 6.794 1.00 0.00 H new ATOM 0 HB2 PHE A 236 -13.001 6.630 7.984 1.00 0.00 H new ATOM 0 HB3 PHE A 236 -12.804 6.114 6.321 1.00 0.00 H new ATOM 0 HD1 PHE A 236 -10.139 6.017 5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 236 -11.748 5.479 9.533 1.00 0.00 H new ATOM 0 HE1 PHE A 236 -8.145 4.735 6.267 1.00 0.00 H new ATOM 0 HE2 PHE A 236 -9.752 4.203 10.181 1.00 0.00 H new ATOM 0 HZ PHE A 236 -7.947 3.826 8.548 1.00 0.00 H new ATOM 423 N ALA A 237 -9.757 8.857 7.209 1.00 0.00 N ATOM 424 CA ALA A 237 -8.700 9.438 8.027 1.00 0.00 C ATOM 425 C ALA A 237 -8.137 10.702 7.387 1.00 0.00 C ATOM 426 O ALA A 237 -7.991 10.780 6.166 1.00 0.00 O ATOM 427 CB ALA A 237 -7.592 8.421 8.254 1.00 0.00 C ATOM 0 H ALA A 237 -9.466 8.592 6.268 1.00 0.00 H new ATOM 0 HA ALA A 237 -9.131 9.714 8.989 1.00 0.00 H new ATOM 0 HB1 ALA A 237 -6.808 8.867 8.866 1.00 0.00 H new ATOM 0 HB2 ALA A 237 -7.999 7.548 8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 237 -7.174 8.118 7.294 1.00 0.00 H new ATOM 433 N LYS A 238 -7.820 11.689 8.218 1.00 0.00 N ATOM 434 CA LYS A 238 -7.270 12.949 7.734 1.00 0.00 C ATOM 435 C LYS A 238 -5.746 12.890 7.679 1.00 0.00 C ATOM 436 O LYS A 238 -5.103 12.364 8.586 1.00 0.00 O ATOM 437 CB LYS A 238 -7.716 14.103 8.634 1.00 0.00 C ATOM 438 CG LYS A 238 -7.439 13.866 10.109 1.00 0.00 C ATOM 439 CD LYS A 238 -8.697 13.444 10.854 1.00 0.00 C ATOM 440 CE LYS A 238 -8.649 13.865 12.313 1.00 0.00 C ATOM 441 NZ LYS A 238 -8.874 15.327 12.478 1.00 0.00 N ATOM 0 H LYS A 238 -7.935 11.640 9.230 1.00 0.00 H new ATOM 0 HA LYS A 238 -7.646 13.119 6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -7.209 15.015 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -8.784 14.269 8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -6.676 13.096 10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -7.039 14.776 10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -9.570 13.887 10.375 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -8.813 12.362 10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -9.405 13.316 12.874 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -7.681 13.597 12.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -9.053 15.540 13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -8.031 15.846 12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -9.695 15.618 11.910 1.00 0.00 H new ATOM 455 N GLY A 239 -5.176 13.433 6.607 1.00 0.00 N ATOM 456 CA GLY A 239 -3.733 13.430 6.454 1.00 0.00 C ATOM 457 C GLY A 239 -3.266 12.486 5.362 1.00 0.00 C ATOM 458 O GLY A 239 -4.056 12.069 4.514 1.00 0.00 O ATOM 0 H GLY A 239 -5.687 13.874 5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 239 -3.393 14.440 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 239 -3.271 13.144 7.399 1.00 0.00 H new ATOM 462 N GLU A 240 -1.981 12.148 5.384 1.00 0.00 N ATOM 463 CA GLU A 240 -1.411 11.248 4.387 1.00 0.00 C ATOM 464 C GLU A 240 -1.314 9.826 4.932 1.00 0.00 C ATOM 465 O GLU A 240 -0.887 9.613 6.067 1.00 0.00 O ATOM 466 CB GLU A 240 -0.026 11.738 3.958 1.00 0.00 C ATOM 467 CG GLU A 240 0.988 11.769 5.091 1.00 0.00 C ATOM 468 CD GLU A 240 2.326 12.336 4.661 1.00 0.00 C ATOM 469 OE1 GLU A 240 2.728 12.095 3.503 1.00 0.00 O ATOM 470 OE2 GLU A 240 2.973 13.020 5.481 1.00 0.00 O ATOM 0 H GLU A 240 -1.315 12.483 6.080 1.00 0.00 H new ATOM 0 HA GLU A 240 -2.071 11.242 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 240 0.349 11.092 3.164 1.00 0.00 H new ATOM 0 HB3 GLU A 240 -0.119 12.739 3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 240 0.592 12.366 5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 240 1.132 10.758 5.473 1.00 0.00 H new ATOM 477 N TRP A 241 -1.718 8.857 4.116 1.00 0.00 N ATOM 478 CA TRP A 241 -1.679 7.455 4.515 1.00 0.00 C ATOM 479 C TRP A 241 -1.051 6.595 3.425 1.00 0.00 C ATOM 480 O TRP A 241 -0.844 7.054 2.301 1.00 0.00 O ATOM 481 CB TRP A 241 -3.091 6.956 4.828 1.00 0.00 C ATOM 482 CG TRP A 241 -3.683 7.586 6.051 1.00 0.00 C ATOM 483 CD1 TRP A 241 -4.111 8.875 6.183 1.00 0.00 C ATOM 484 CD2 TRP A 241 -3.914 6.953 7.315 1.00 0.00 C ATOM 485 NE1 TRP A 241 -4.591 9.084 7.454 1.00 0.00 N ATOM 486 CE2 TRP A 241 -4.482 7.919 8.167 1.00 0.00 C ATOM 487 CE3 TRP A 241 -3.695 5.665 7.809 1.00 0.00 C ATOM 488 CZ2 TRP A 241 -4.832 7.636 9.485 1.00 0.00 C ATOM 489 CZ3 TRP A 241 -4.044 5.384 9.115 1.00 0.00 C ATOM 490 CH2 TRP A 241 -4.608 6.365 9.941 1.00 0.00 C ATOM 0 H TRP A 241 -2.076 9.018 3.175 1.00 0.00 H new ATOM 0 HA TRP A 241 -1.065 7.374 5.412 1.00 0.00 H new ATOM 0 HB2 TRP A 241 -3.738 7.158 3.974 1.00 0.00 H new ATOM 0 HB3 TRP A 241 -3.066 5.874 4.961 1.00 0.00 H new ATOM 0 HD1 TRP A 241 -4.078 9.621 5.403 1.00 0.00 H new ATOM 0 HE1 TRP A 241 -4.967 9.963 7.809 1.00 0.00 H new ATOM 0 HE3 TRP A 241 -3.260 4.902 7.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 241 -5.264 8.392 10.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 241 -3.879 4.391 9.506 1.00 0.00 H new ATOM 0 HH2 TRP A 241 -4.871 6.113 10.958 1.00 0.00 H new ATOM 501 N CYS A 242 -0.752 5.345 3.760 1.00 0.00 N ATOM 502 CA CYS A 242 -0.149 4.422 2.806 1.00 0.00 C ATOM 503 C CYS A 242 -0.760 3.029 2.930 1.00 0.00 C ATOM 504 O CYS A 242 -1.291 2.660 3.977 1.00 0.00 O ATOM 505 CB CYS A 242 1.368 4.355 3.015 1.00 0.00 C ATOM 506 SG CYS A 242 2.215 3.173 1.939 1.00 0.00 S ATOM 0 H CYS A 242 -0.917 4.948 4.685 1.00 0.00 H new ATOM 0 HA CYS A 242 -0.351 4.794 1.802 1.00 0.00 H new ATOM 0 HB2 CYS A 242 1.790 5.346 2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 242 1.569 4.092 4.054 1.00 0.00 H new ATOM 0 HG CYS A 242 3.490 3.193 2.191 1.00 0.00 H new ATOM 512 N GLY A 243 -0.676 2.264 1.848 1.00 0.00 N ATOM 513 CA GLY A 243 -1.220 0.920 1.834 1.00 0.00 C ATOM 514 C GLY A 243 -0.141 -0.132 1.683 1.00 0.00 C ATOM 515 O GLY A 243 0.662 -0.077 0.753 1.00 0.00 O ATOM 0 H GLY A 243 -0.237 2.554 0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -1.771 0.743 2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -1.933 0.827 1.015 1.00 0.00 H new ATOM 519 N VAL A 244 -0.121 -1.091 2.599 1.00 0.00 N ATOM 520 CA VAL A 244 0.871 -2.157 2.562 1.00 0.00 C ATOM 521 C VAL A 244 0.209 -3.526 2.670 1.00 0.00 C ATOM 522 O VAL A 244 -0.627 -3.755 3.545 1.00 0.00 O ATOM 523 CB VAL A 244 1.900 -2.009 3.706 1.00 0.00 C ATOM 524 CG1 VAL A 244 3.122 -2.875 3.447 1.00 0.00 C ATOM 525 CG2 VAL A 244 2.305 -0.553 3.889 1.00 0.00 C ATOM 0 H VAL A 244 -0.779 -1.153 3.376 1.00 0.00 H new ATOM 0 HA VAL A 244 1.386 -2.076 1.605 1.00 0.00 H new ATOM 0 HB VAL A 244 1.428 -2.348 4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 244 3.833 -2.755 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 244 2.820 -3.920 3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 244 3.591 -2.572 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 244 3.030 -0.476 4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 244 2.751 -0.181 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 244 1.424 0.042 4.132 1.00 0.00 H new ATOM 535 N GLU A 245 0.593 -4.436 1.781 1.00 0.00 N ATOM 536 CA GLU A 245 0.042 -5.785 1.784 1.00 0.00 C ATOM 537 C GLU A 245 0.802 -6.655 2.777 1.00 0.00 C ATOM 538 O GLU A 245 1.973 -6.972 2.570 1.00 0.00 O ATOM 539 CB GLU A 245 0.116 -6.398 0.384 1.00 0.00 C ATOM 540 CG GLU A 245 -0.650 -7.703 0.248 1.00 0.00 C ATOM 541 CD GLU A 245 -1.109 -7.964 -1.173 1.00 0.00 C ATOM 542 OE1 GLU A 245 -1.227 -6.990 -1.946 1.00 0.00 O ATOM 543 OE2 GLU A 245 -1.352 -9.142 -1.511 1.00 0.00 O ATOM 0 H GLU A 245 1.283 -4.263 1.050 1.00 0.00 H new ATOM 0 HA GLU A 245 -1.005 -5.733 2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -0.274 -5.681 -0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 245 1.161 -6.572 0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -0.018 -8.527 0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -1.517 -7.681 0.908 1.00 0.00 H new ATOM 550 N LEU A 246 0.135 -7.023 3.864 1.00 0.00 N ATOM 551 CA LEU A 246 0.755 -7.836 4.900 1.00 0.00 C ATOM 552 C LEU A 246 1.056 -9.245 4.398 1.00 0.00 C ATOM 553 O LEU A 246 0.282 -9.824 3.635 1.00 0.00 O ATOM 554 CB LEU A 246 -0.148 -7.902 6.133 1.00 0.00 C ATOM 555 CG LEU A 246 -0.467 -6.550 6.770 1.00 0.00 C ATOM 556 CD1 LEU A 246 -1.475 -6.715 7.896 1.00 0.00 C ATOM 557 CD2 LEU A 246 0.805 -5.889 7.284 1.00 0.00 C ATOM 0 H LEU A 246 -0.836 -6.771 4.050 1.00 0.00 H new ATOM 0 HA LEU A 246 1.700 -7.365 5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -1.084 -8.386 5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 246 0.328 -8.536 6.881 1.00 0.00 H new ATOM 0 HG LEU A 246 -0.906 -5.906 6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -1.690 -5.742 8.338 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -2.395 -7.145 7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -1.064 -7.377 8.658 1.00 0.00 H new ATOM 0 HD21 LEU A 246 0.559 -4.927 7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 246 1.272 -6.531 8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 246 1.496 -5.735 6.455 1.00 0.00 H new ATOM 569 N ASP A 247 2.189 -9.784 4.833 1.00 0.00 N ATOM 570 CA ASP A 247 2.609 -11.122 4.436 1.00 0.00 C ATOM 571 C ASP A 247 1.702 -12.190 5.040 1.00 0.00 C ATOM 572 O ASP A 247 1.572 -13.285 4.493 1.00 0.00 O ATOM 573 CB ASP A 247 4.059 -11.364 4.865 1.00 0.00 C ATOM 574 CG ASP A 247 5.057 -10.741 3.909 1.00 0.00 C ATOM 575 OD1 ASP A 247 4.756 -10.670 2.699 1.00 0.00 O ATOM 576 OD2 ASP A 247 6.140 -10.320 4.371 1.00 0.00 O ATOM 0 H ASP A 247 2.836 -9.312 5.464 1.00 0.00 H new ATOM 0 HA ASP A 247 2.535 -11.191 3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 247 4.213 -10.955 5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 247 4.242 -12.437 4.929 1.00 0.00 H new ATOM 581 N GLU A 248 1.076 -11.867 6.166 1.00 0.00 N ATOM 582 CA GLU A 248 0.183 -12.804 6.839 1.00 0.00 C ATOM 583 C GLU A 248 -1.104 -12.109 7.281 1.00 0.00 C ATOM 584 O GLU A 248 -1.202 -10.883 7.232 1.00 0.00 O ATOM 585 CB GLU A 248 0.886 -13.432 8.045 1.00 0.00 C ATOM 586 CG GLU A 248 1.317 -14.872 7.815 1.00 0.00 C ATOM 587 CD GLU A 248 2.774 -14.987 7.414 1.00 0.00 C ATOM 588 OE1 GLU A 248 3.632 -14.422 8.125 1.00 0.00 O ATOM 589 OE2 GLU A 248 3.057 -15.642 6.388 1.00 0.00 O ATOM 0 H GLU A 248 1.170 -10.965 6.632 1.00 0.00 H new ATOM 0 HA GLU A 248 -0.080 -13.592 6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 248 1.762 -12.835 8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 248 0.218 -13.394 8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 248 1.148 -15.448 8.725 1.00 0.00 H new ATOM 0 HG3 GLU A 248 0.694 -15.314 7.038 1.00 0.00 H new ATOM 596 N PRO A 249 -2.112 -12.887 7.718 1.00 0.00 N ATOM 597 CA PRO A 249 -3.396 -12.335 8.167 1.00 0.00 C ATOM 598 C PRO A 249 -3.257 -11.516 9.447 1.00 0.00 C ATOM 599 O PRO A 249 -3.750 -11.906 10.505 1.00 0.00 O ATOM 600 CB PRO A 249 -4.257 -13.577 8.414 1.00 0.00 C ATOM 601 CG PRO A 249 -3.282 -14.677 8.656 1.00 0.00 C ATOM 602 CD PRO A 249 -2.082 -14.359 7.807 1.00 0.00 C ATOM 0 HA PRO A 249 -3.822 -11.649 7.435 1.00 0.00 H new ATOM 0 HB2 PRO A 249 -4.916 -13.437 9.271 1.00 0.00 H new ATOM 0 HB3 PRO A 249 -4.893 -13.794 7.556 1.00 0.00 H new ATOM 0 HG2 PRO A 249 -3.011 -14.733 9.710 1.00 0.00 H new ATOM 0 HG3 PRO A 249 -3.708 -15.643 8.384 1.00 0.00 H new ATOM 0 HD2 PRO A 249 -1.159 -14.716 8.264 1.00 0.00 H new ATOM 0 HD3 PRO A 249 -2.150 -14.823 6.823 1.00 0.00 H new ATOM 610 N LEU A 250 -2.581 -10.377 9.340 1.00 0.00 N ATOM 611 CA LEU A 250 -2.374 -9.496 10.482 1.00 0.00 C ATOM 612 C LEU A 250 -2.842 -8.077 10.169 1.00 0.00 C ATOM 613 O LEU A 250 -2.349 -7.111 10.748 1.00 0.00 O ATOM 614 CB LEU A 250 -0.897 -9.480 10.879 1.00 0.00 C ATOM 615 CG LEU A 250 0.090 -9.492 9.707 1.00 0.00 C ATOM 616 CD1 LEU A 250 1.157 -8.425 9.893 1.00 0.00 C ATOM 617 CD2 LEU A 250 0.730 -10.863 9.563 1.00 0.00 C ATOM 0 H LEU A 250 -2.166 -10.042 8.470 1.00 0.00 H new ATOM 0 HA LEU A 250 -2.964 -9.879 11.315 1.00 0.00 H new ATOM 0 HB2 LEU A 250 -0.709 -8.593 11.484 1.00 0.00 H new ATOM 0 HB3 LEU A 250 -0.697 -10.345 11.511 1.00 0.00 H new ATOM 0 HG LEU A 250 -0.462 -9.270 8.794 1.00 0.00 H new ATOM 0 HD11 LEU A 250 1.848 -8.450 9.050 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.685 -7.444 9.946 1.00 0.00 H new ATOM 0 HD13 LEU A 250 1.704 -8.615 10.816 1.00 0.00 H new ATOM 0 HD21 LEU A 250 1.428 -10.853 8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 250 1.266 -11.112 10.479 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -0.044 -11.609 9.381 1.00 0.00 H new ATOM 629 N GLY A 251 -3.794 -7.962 9.249 1.00 0.00 N ATOM 630 CA GLY A 251 -4.307 -6.658 8.876 1.00 0.00 C ATOM 631 C GLY A 251 -5.691 -6.396 9.435 1.00 0.00 C ATOM 632 O GLY A 251 -6.103 -7.024 10.411 1.00 0.00 O ATOM 0 H GLY A 251 -4.219 -8.748 8.756 1.00 0.00 H new ATOM 0 HA2 GLY A 251 -3.623 -5.887 9.232 1.00 0.00 H new ATOM 0 HA3 GLY A 251 -4.337 -6.581 7.789 1.00 0.00 H new ATOM 636 N LYS A 252 -6.411 -5.464 8.819 1.00 0.00 N ATOM 637 CA LYS A 252 -7.756 -5.120 9.264 1.00 0.00 C ATOM 638 C LYS A 252 -8.760 -5.222 8.119 1.00 0.00 C ATOM 639 O LYS A 252 -9.878 -5.702 8.304 1.00 0.00 O ATOM 640 CB LYS A 252 -7.776 -3.706 9.848 1.00 0.00 C ATOM 641 CG LYS A 252 -6.650 -3.437 10.835 1.00 0.00 C ATOM 642 CD LYS A 252 -7.100 -3.665 12.269 1.00 0.00 C ATOM 643 CE LYS A 252 -5.931 -4.042 13.166 1.00 0.00 C ATOM 644 NZ LYS A 252 -6.244 -3.828 14.606 1.00 0.00 N ATOM 0 H LYS A 252 -6.085 -4.934 8.011 1.00 0.00 H new ATOM 0 HA LYS A 252 -8.045 -5.833 10.037 1.00 0.00 H new ATOM 0 HB2 LYS A 252 -7.713 -2.985 9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 252 -8.731 -3.542 10.346 1.00 0.00 H new ATOM 0 HG2 LYS A 252 -5.805 -4.087 10.610 1.00 0.00 H new ATOM 0 HG3 LYS A 252 -6.302 -2.410 10.721 1.00 0.00 H new ATOM 0 HD2 LYS A 252 -7.576 -2.762 12.650 1.00 0.00 H new ATOM 0 HD3 LYS A 252 -7.850 -4.456 12.295 1.00 0.00 H new ATOM 0 HE2 LYS A 252 -5.671 -5.088 13.003 1.00 0.00 H new ATOM 0 HE3 LYS A 252 -5.058 -3.450 12.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 -5.422 -4.097 15.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 -6.468 -2.825 14.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 -7.061 -4.412 14.874 1.00 0.00 H new ATOM 658 N ASN A 253 -8.357 -4.764 6.937 1.00 0.00 N ATOM 659 CA ASN A 253 -9.229 -4.804 5.767 1.00 0.00 C ATOM 660 C ASN A 253 -8.623 -5.660 4.658 1.00 0.00 C ATOM 661 O ASN A 253 -7.487 -6.123 4.765 1.00 0.00 O ATOM 662 CB ASN A 253 -9.489 -3.386 5.252 1.00 0.00 C ATOM 663 CG ASN A 253 -8.238 -2.728 4.702 1.00 0.00 C ATOM 664 OD1 ASN A 253 -8.069 -2.606 3.489 1.00 0.00 O ATOM 665 ND2 ASN A 253 -7.354 -2.298 5.596 1.00 0.00 N ATOM 0 H ASN A 253 -7.436 -4.362 6.764 1.00 0.00 H new ATOM 0 HA ASN A 253 -10.175 -5.255 6.067 1.00 0.00 H new ATOM 0 HB2 ASN A 253 -10.250 -3.420 4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 253 -9.890 -2.777 6.062 1.00 0.00 H new ATOM 0 HD21 ASN A 253 -6.494 -1.846 5.286 1.00 0.00 H new ATOM 0 HD22 ASN A 253 -7.536 -2.420 6.592 1.00 0.00 H new ATOM 672 N ASP A 254 -9.392 -5.863 3.593 1.00 0.00 N ATOM 673 CA ASP A 254 -8.939 -6.662 2.460 1.00 0.00 C ATOM 674 C ASP A 254 -8.472 -5.772 1.310 1.00 0.00 C ATOM 675 O ASP A 254 -8.497 -6.179 0.149 1.00 0.00 O ATOM 676 CB ASP A 254 -10.060 -7.585 1.979 1.00 0.00 C ATOM 677 CG ASP A 254 -11.304 -6.819 1.571 1.00 0.00 C ATOM 678 OD1 ASP A 254 -11.397 -6.425 0.390 1.00 0.00 O ATOM 679 OD2 ASP A 254 -12.183 -6.612 2.433 1.00 0.00 O ATOM 0 H ASP A 254 -10.334 -5.484 3.491 1.00 0.00 H new ATOM 0 HA ASP A 254 -8.094 -7.266 2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 254 -9.705 -8.173 1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 254 -10.313 -8.288 2.772 1.00 0.00 H new ATOM 684 N GLY A 255 -8.042 -4.556 1.640 1.00 0.00 N ATOM 685 CA GLY A 255 -7.574 -3.634 0.621 1.00 0.00 C ATOM 686 C GLY A 255 -8.578 -2.538 0.313 1.00 0.00 C ATOM 687 O GLY A 255 -8.487 -1.881 -0.725 1.00 0.00 O ATOM 0 H GLY A 255 -8.010 -4.194 2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 255 -6.638 -3.181 0.949 1.00 0.00 H new ATOM 0 HA3 GLY A 255 -7.357 -4.188 -0.292 1.00 0.00 H new ATOM 691 N ALA A 256 -9.535 -2.339 1.214 1.00 0.00 N ATOM 692 CA ALA A 256 -10.554 -1.314 1.028 1.00 0.00 C ATOM 693 C ALA A 256 -10.826 -0.567 2.327 1.00 0.00 C ATOM 694 O ALA A 256 -10.554 -1.073 3.417 1.00 0.00 O ATOM 695 CB ALA A 256 -11.837 -1.936 0.495 1.00 0.00 C ATOM 0 H ALA A 256 -9.625 -2.873 2.078 1.00 0.00 H new ATOM 0 HA ALA A 256 -10.181 -0.595 0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 256 -12.590 -1.159 0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 256 -11.638 -2.417 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 256 -12.204 -2.678 1.204 1.00 0.00 H new ATOM 701 N VAL A 257 -11.364 0.642 2.206 1.00 0.00 N ATOM 702 CA VAL A 257 -11.673 1.463 3.371 1.00 0.00 C ATOM 703 C VAL A 257 -12.967 2.244 3.165 1.00 0.00 C ATOM 704 O VAL A 257 -13.076 3.053 2.244 1.00 0.00 O ATOM 705 CB VAL A 257 -10.529 2.451 3.677 1.00 0.00 C ATOM 706 CG1 VAL A 257 -10.824 3.242 4.944 1.00 0.00 C ATOM 707 CG2 VAL A 257 -9.204 1.713 3.795 1.00 0.00 C ATOM 0 H VAL A 257 -11.595 1.075 1.312 1.00 0.00 H new ATOM 0 HA VAL A 257 -11.794 0.785 4.216 1.00 0.00 H new ATOM 0 HB VAL A 257 -10.454 3.156 2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -10.004 3.933 5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -11.749 3.804 4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -10.931 2.556 5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -8.408 2.426 4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -9.265 0.982 4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -8.988 1.201 2.857 1.00 0.00 H new ATOM 717 N ALA A 258 -13.945 1.994 4.030 1.00 0.00 N ATOM 718 CA ALA A 258 -15.234 2.673 3.946 1.00 0.00 C ATOM 719 C ALA A 258 -15.897 2.435 2.594 1.00 0.00 C ATOM 720 O ALA A 258 -16.696 3.250 2.133 1.00 0.00 O ATOM 721 CB ALA A 258 -15.060 4.164 4.197 1.00 0.00 C ATOM 0 H ALA A 258 -13.870 1.326 4.797 1.00 0.00 H new ATOM 0 HA ALA A 258 -15.885 2.258 4.715 1.00 0.00 H new ATOM 0 HB1 ALA A 258 -16.029 4.659 4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 258 -14.639 4.319 5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 258 -14.387 4.583 3.449 1.00 0.00 H new ATOM 727 N GLY A 259 -15.560 1.316 1.961 1.00 0.00 N ATOM 728 CA GLY A 259 -16.132 0.995 0.666 1.00 0.00 C ATOM 729 C GLY A 259 -15.275 1.475 -0.489 1.00 0.00 C ATOM 730 O GLY A 259 -15.714 1.468 -1.640 1.00 0.00 O ATOM 0 H GLY A 259 -14.901 0.626 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -16.265 -0.084 0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -17.122 1.445 0.589 1.00 0.00 H new ATOM 734 N THR A 260 -14.047 1.892 -0.188 1.00 0.00 N ATOM 735 CA THR A 260 -13.130 2.374 -1.215 1.00 0.00 C ATOM 736 C THR A 260 -11.895 1.483 -1.299 1.00 0.00 C ATOM 737 O THR A 260 -11.101 1.416 -0.362 1.00 0.00 O ATOM 738 CB THR A 260 -12.715 3.816 -0.920 1.00 0.00 C ATOM 739 OG1 THR A 260 -13.852 4.654 -0.817 1.00 0.00 O ATOM 740 CG2 THR A 260 -11.804 4.404 -1.977 1.00 0.00 C ATOM 0 H THR A 260 -13.666 1.905 0.758 1.00 0.00 H new ATOM 0 HA THR A 260 -13.646 2.342 -2.175 1.00 0.00 H new ATOM 0 HB THR A 260 -12.170 3.773 0.023 1.00 0.00 H new ATOM 0 HG1 THR A 260 -13.575 5.546 -0.521 1.00 0.00 H new ATOM 0 HG21 THR A 260 -11.547 5.428 -1.707 1.00 0.00 H new ATOM 0 HG22 THR A 260 -10.894 3.808 -2.046 1.00 0.00 H new ATOM 0 HG23 THR A 260 -12.314 4.400 -2.940 1.00 0.00 H new ATOM 748 N ARG A 261 -11.737 0.801 -2.430 1.00 0.00 N ATOM 749 CA ARG A 261 -10.596 -0.083 -2.635 1.00 0.00 C ATOM 750 C ARG A 261 -9.419 0.681 -3.231 1.00 0.00 C ATOM 751 O ARG A 261 -9.461 1.101 -4.386 1.00 0.00 O ATOM 752 CB ARG A 261 -10.983 -1.247 -3.549 1.00 0.00 C ATOM 753 CG ARG A 261 -9.847 -2.223 -3.804 1.00 0.00 C ATOM 754 CD ARG A 261 -10.244 -3.286 -4.817 1.00 0.00 C ATOM 755 NE ARG A 261 -10.271 -2.762 -6.180 1.00 0.00 N ATOM 756 CZ ARG A 261 -9.183 -2.570 -6.923 1.00 0.00 C ATOM 757 NH1 ARG A 261 -7.982 -2.860 -6.440 1.00 0.00 N ATOM 758 NH2 ARG A 261 -9.297 -2.088 -8.153 1.00 0.00 N ATOM 0 H ARG A 261 -12.384 0.844 -3.217 1.00 0.00 H new ATOM 0 HA ARG A 261 -10.295 -0.479 -1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -11.820 -1.785 -3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -11.330 -0.849 -4.503 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -8.974 -1.681 -4.167 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -9.559 -2.701 -2.868 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -9.542 -4.118 -4.763 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -11.227 -3.681 -4.561 1.00 0.00 H new ATOM 0 HE ARG A 261 -11.177 -2.529 -6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -7.889 -3.232 -5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -7.152 -2.711 -7.014 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -10.218 -1.864 -8.530 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -8.464 -1.941 -8.722 1.00 0.00 H new ATOM 772 N TYR A 262 -8.369 0.856 -2.434 1.00 0.00 N ATOM 773 CA TYR A 262 -7.179 1.569 -2.885 1.00 0.00 C ATOM 774 C TYR A 262 -6.241 0.634 -3.641 1.00 0.00 C ATOM 775 O TYR A 262 -5.553 1.049 -4.574 1.00 0.00 O ATOM 776 CB TYR A 262 -6.450 2.193 -1.693 1.00 0.00 C ATOM 777 CG TYR A 262 -7.218 3.317 -1.035 1.00 0.00 C ATOM 778 CD1 TYR A 262 -8.300 3.055 -0.205 1.00 0.00 C ATOM 779 CD2 TYR A 262 -6.858 4.643 -1.244 1.00 0.00 C ATOM 780 CE1 TYR A 262 -9.003 4.080 0.398 1.00 0.00 C ATOM 781 CE2 TYR A 262 -7.556 5.674 -0.644 1.00 0.00 C ATOM 782 CZ TYR A 262 -8.628 5.388 0.175 1.00 0.00 C ATOM 783 OH TYR A 262 -9.326 6.412 0.772 1.00 0.00 O ATOM 0 H TYR A 262 -8.318 0.514 -1.474 1.00 0.00 H new ATOM 0 HA TYR A 262 -7.494 2.363 -3.562 1.00 0.00 H new ATOM 0 HB2 TYR A 262 -6.251 1.418 -0.953 1.00 0.00 H new ATOM 0 HB3 TYR A 262 -5.483 2.571 -2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 262 -8.597 2.032 -0.028 1.00 0.00 H new ATOM 0 HD2 TYR A 262 -6.020 4.871 -1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 262 -9.842 3.858 1.041 1.00 0.00 H new ATOM 0 HE2 TYR A 262 -7.263 6.699 -0.816 1.00 0.00 H new ATOM 0 HH TYR A 262 -9.427 7.152 0.138 1.00 0.00 H new ATOM 793 N PHE A 263 -6.222 -0.630 -3.233 1.00 0.00 N ATOM 794 CA PHE A 263 -5.373 -1.628 -3.872 1.00 0.00 C ATOM 795 C PHE A 263 -5.949 -3.027 -3.683 1.00 0.00 C ATOM 796 O PHE A 263 -6.922 -3.215 -2.953 1.00 0.00 O ATOM 797 CB PHE A 263 -3.954 -1.565 -3.303 1.00 0.00 C ATOM 798 CG PHE A 263 -3.909 -1.456 -1.806 1.00 0.00 C ATOM 799 CD1 PHE A 263 -4.074 -0.229 -1.184 1.00 0.00 C ATOM 800 CD2 PHE A 263 -3.704 -2.579 -1.020 1.00 0.00 C ATOM 801 CE1 PHE A 263 -4.033 -0.124 0.193 1.00 0.00 C ATOM 802 CE2 PHE A 263 -3.662 -2.479 0.358 1.00 0.00 C ATOM 803 CZ PHE A 263 -3.827 -1.250 0.965 1.00 0.00 C ATOM 0 H PHE A 263 -6.786 -0.988 -2.462 1.00 0.00 H new ATOM 0 HA PHE A 263 -5.336 -1.409 -4.939 1.00 0.00 H new ATOM 0 HB2 PHE A 263 -3.409 -2.457 -3.610 1.00 0.00 H new ATOM 0 HB3 PHE A 263 -3.436 -0.710 -3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 263 -4.236 0.655 -1.782 1.00 0.00 H new ATOM 0 HD2 PHE A 263 -3.576 -3.543 -1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 263 -4.162 0.839 0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 263 -3.500 -3.361 0.959 1.00 0.00 H new ATOM 0 HZ PHE A 263 -3.795 -1.170 2.042 1.00 0.00 H new ATOM 813 N GLN A 264 -5.346 -4.007 -4.347 1.00 0.00 N ATOM 814 CA GLN A 264 -5.804 -5.389 -4.251 1.00 0.00 C ATOM 815 C GLN A 264 -4.868 -6.211 -3.372 1.00 0.00 C ATOM 816 O GLN A 264 -3.655 -6.223 -3.581 1.00 0.00 O ATOM 817 CB GLN A 264 -5.900 -6.016 -5.643 1.00 0.00 C ATOM 818 CG GLN A 264 -6.456 -7.429 -5.635 1.00 0.00 C ATOM 819 CD GLN A 264 -7.972 -7.459 -5.585 1.00 0.00 C ATOM 820 OE1 GLN A 264 -8.644 -7.012 -6.514 1.00 0.00 O ATOM 821 NE2 GLN A 264 -8.518 -7.988 -4.497 1.00 0.00 N ATOM 0 H GLN A 264 -4.540 -3.871 -4.957 1.00 0.00 H new ATOM 0 HA GLN A 264 -6.794 -5.387 -3.794 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -6.532 -5.389 -6.272 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -4.909 -6.027 -6.097 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -6.115 -7.955 -6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -6.057 -7.968 -4.775 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -7.923 -8.347 -3.751 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -9.533 -8.036 -4.407 1.00 0.00 H new ATOM 830 N CYS A 265 -5.439 -6.899 -2.390 1.00 0.00 N ATOM 831 CA CYS A 265 -4.657 -7.725 -1.480 1.00 0.00 C ATOM 832 C CYS A 265 -5.502 -8.851 -0.896 1.00 0.00 C ATOM 833 O CYS A 265 -6.732 -8.796 -0.920 1.00 0.00 O ATOM 834 CB CYS A 265 -4.077 -6.869 -0.351 1.00 0.00 C ATOM 835 SG CYS A 265 -5.313 -5.901 0.548 1.00 0.00 S ATOM 0 H CYS A 265 -6.442 -6.901 -2.204 1.00 0.00 H new ATOM 0 HA CYS A 265 -3.840 -8.169 -2.049 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -3.557 -7.519 0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -3.333 -6.191 -0.769 1.00 0.00 H new ATOM 0 HG CYS A 265 -4.944 -4.655 0.586 1.00 0.00 H new ATOM 841 N GLN A 266 -4.834 -9.871 -0.368 1.00 0.00 N ATOM 842 CA GLN A 266 -5.518 -11.013 0.226 1.00 0.00 C ATOM 843 C GLN A 266 -6.385 -10.574 1.404 1.00 0.00 C ATOM 844 O GLN A 266 -6.246 -9.457 1.905 1.00 0.00 O ATOM 845 CB GLN A 266 -4.500 -12.057 0.686 1.00 0.00 C ATOM 846 CG GLN A 266 -4.261 -13.162 -0.330 1.00 0.00 C ATOM 847 CD GLN A 266 -3.246 -14.183 0.145 1.00 0.00 C ATOM 848 OE1 GLN A 266 -2.214 -14.393 -0.491 1.00 0.00 O ATOM 849 NE2 GLN A 266 -3.536 -14.827 1.271 1.00 0.00 N ATOM 0 H GLN A 266 -3.816 -9.930 -0.340 1.00 0.00 H new ATOM 0 HA GLN A 266 -6.165 -11.455 -0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 266 -3.554 -11.560 0.900 1.00 0.00 H new ATOM 0 HB3 GLN A 266 -4.844 -12.502 1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 266 -5.204 -13.665 -0.542 1.00 0.00 H new ATOM 0 HG3 GLN A 266 -3.917 -12.722 -1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 266 -4.403 -14.622 1.767 1.00 0.00 H new ATOM 0 HE22 GLN A 266 -2.891 -15.526 1.639 1.00 0.00 H new ATOM 858 N PRO A 267 -7.294 -11.450 1.866 1.00 0.00 N ATOM 859 CA PRO A 267 -8.179 -11.143 2.994 1.00 0.00 C ATOM 860 C PRO A 267 -7.404 -10.934 4.290 1.00 0.00 C ATOM 861 O PRO A 267 -6.521 -11.721 4.630 1.00 0.00 O ATOM 862 CB PRO A 267 -9.077 -12.380 3.098 1.00 0.00 C ATOM 863 CG PRO A 267 -8.316 -13.467 2.424 1.00 0.00 C ATOM 864 CD PRO A 267 -7.529 -12.802 1.331 1.00 0.00 C ATOM 0 HA PRO A 267 -8.732 -10.217 2.837 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -9.285 -12.630 4.138 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -10.038 -12.212 2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -7.656 -13.975 3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -8.990 -14.221 2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -6.594 -13.325 1.132 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -8.085 -12.774 0.394 1.00 0.00 H new ATOM 872 N LYS A 268 -7.741 -9.869 5.011 1.00 0.00 N ATOM 873 CA LYS A 268 -7.078 -9.555 6.272 1.00 0.00 C ATOM 874 C LYS A 268 -5.588 -9.290 6.065 1.00 0.00 C ATOM 875 O LYS A 268 -4.802 -9.358 7.010 1.00 0.00 O ATOM 876 CB LYS A 268 -7.268 -10.697 7.273 1.00 0.00 C ATOM 877 CG LYS A 268 -8.589 -10.635 8.023 1.00 0.00 C ATOM 878 CD LYS A 268 -8.611 -9.486 9.018 1.00 0.00 C ATOM 879 CE LYS A 268 -9.585 -9.749 10.156 1.00 0.00 C ATOM 880 NZ LYS A 268 -8.901 -9.772 11.478 1.00 0.00 N ATOM 0 H LYS A 268 -8.470 -9.208 4.743 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.534 -8.649 6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -7.205 -11.648 6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -6.450 -10.678 7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -9.407 -10.518 7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -8.755 -11.576 8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -7.610 -9.335 9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -8.890 -8.565 8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -10.356 -8.978 10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -10.088 -10.702 9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -9.599 -9.954 12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -8.183 -10.524 11.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -8.443 -8.854 11.648 1.00 0.00 H new ATOM 894 N TYR A 269 -5.203 -8.982 4.829 1.00 0.00 N ATOM 895 CA TYR A 269 -3.806 -8.705 4.510 1.00 0.00 C ATOM 896 C TYR A 269 -3.586 -7.214 4.264 1.00 0.00 C ATOM 897 O TYR A 269 -2.458 -6.727 4.325 1.00 0.00 O ATOM 898 CB TYR A 269 -3.371 -9.496 3.273 1.00 0.00 C ATOM 899 CG TYR A 269 -2.927 -10.916 3.562 1.00 0.00 C ATOM 900 CD1 TYR A 269 -3.492 -11.650 4.597 1.00 0.00 C ATOM 901 CD2 TYR A 269 -1.946 -11.523 2.788 1.00 0.00 C ATOM 902 CE1 TYR A 269 -3.089 -12.949 4.855 1.00 0.00 C ATOM 903 CE2 TYR A 269 -1.539 -12.819 3.038 1.00 0.00 C ATOM 904 CZ TYR A 269 -2.113 -13.528 4.071 1.00 0.00 C ATOM 905 OH TYR A 269 -1.713 -14.819 4.322 1.00 0.00 O ATOM 0 H TYR A 269 -5.838 -8.918 4.033 1.00 0.00 H new ATOM 0 HA TYR A 269 -3.203 -9.013 5.365 1.00 0.00 H new ATOM 0 HB2 TYR A 269 -4.199 -9.524 2.565 1.00 0.00 H new ATOM 0 HB3 TYR A 269 -2.553 -8.965 2.786 1.00 0.00 H new ATOM 0 HD1 TYR A 269 -4.258 -11.200 5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 269 -1.494 -10.972 1.977 1.00 0.00 H new ATOM 0 HE1 TYR A 269 -3.536 -13.506 5.665 1.00 0.00 H new ATOM 0 HE2 TYR A 269 -0.774 -13.275 2.427 1.00 0.00 H new ATOM 0 HH TYR A 269 -1.019 -15.077 3.680 1.00 0.00 H new ATOM 915 N GLY A 270 -4.667 -6.491 3.981 1.00 0.00 N ATOM 916 CA GLY A 270 -4.559 -5.067 3.723 1.00 0.00 C ATOM 917 C GLY A 270 -4.405 -4.248 4.990 1.00 0.00 C ATOM 918 O GLY A 270 -5.170 -4.411 5.941 1.00 0.00 O ATOM 0 H GLY A 270 -5.614 -6.866 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -3.704 -4.885 3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -5.446 -4.732 3.185 1.00 0.00 H new ATOM 922 N LEU A 271 -3.414 -3.362 4.997 1.00 0.00 N ATOM 923 CA LEU A 271 -3.158 -2.506 6.150 1.00 0.00 C ATOM 924 C LEU A 271 -2.852 -1.080 5.700 1.00 0.00 C ATOM 925 O LEU A 271 -1.987 -0.859 4.851 1.00 0.00 O ATOM 926 CB LEU A 271 -1.993 -3.058 6.976 1.00 0.00 C ATOM 927 CG LEU A 271 -2.039 -2.720 8.467 1.00 0.00 C ATOM 928 CD1 LEU A 271 -3.295 -3.293 9.110 1.00 0.00 C ATOM 929 CD2 LEU A 271 -0.794 -3.242 9.167 1.00 0.00 C ATOM 0 H LEU A 271 -2.774 -3.218 4.216 1.00 0.00 H new ATOM 0 HA LEU A 271 -4.053 -2.491 6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -1.971 -4.142 6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -1.060 -2.676 6.561 1.00 0.00 H new ATOM 0 HG LEU A 271 -2.067 -1.636 8.573 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -3.308 -3.041 10.170 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -4.176 -2.872 8.626 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -3.301 -4.377 8.994 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -0.842 -2.994 10.227 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -0.738 -4.324 9.050 1.00 0.00 H new ATOM 0 HD23 LEU A 271 0.091 -2.783 8.726 1.00 0.00 H new ATOM 941 N PHE A 272 -3.573 -0.118 6.265 1.00 0.00 N ATOM 942 CA PHE A 272 -3.386 1.287 5.914 1.00 0.00 C ATOM 943 C PHE A 272 -2.693 2.052 7.037 1.00 0.00 C ATOM 944 O PHE A 272 -3.267 2.252 8.103 1.00 0.00 O ATOM 945 CB PHE A 272 -4.738 1.936 5.614 1.00 0.00 C ATOM 946 CG PHE A 272 -5.301 1.573 4.270 1.00 0.00 C ATOM 947 CD1 PHE A 272 -5.489 0.247 3.917 1.00 0.00 C ATOM 948 CD2 PHE A 272 -5.646 2.560 3.360 1.00 0.00 C ATOM 949 CE1 PHE A 272 -6.012 -0.087 2.682 1.00 0.00 C ATOM 950 CE2 PHE A 272 -6.169 2.232 2.126 1.00 0.00 C ATOM 951 CZ PHE A 272 -6.352 0.906 1.786 1.00 0.00 C ATOM 0 H PHE A 272 -4.293 -0.284 6.968 1.00 0.00 H new ATOM 0 HA PHE A 272 -2.753 1.328 5.028 1.00 0.00 H new ATOM 0 HB2 PHE A 272 -5.450 1.644 6.386 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -4.631 3.019 5.672 1.00 0.00 H new ATOM 0 HD1 PHE A 272 -5.224 -0.534 4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 272 -5.504 3.599 3.620 1.00 0.00 H new ATOM 0 HE1 PHE A 272 -6.155 -1.125 2.418 1.00 0.00 H new ATOM 0 HE2 PHE A 272 -6.435 3.011 1.427 1.00 0.00 H new ATOM 0 HZ PHE A 272 -6.761 0.647 0.820 1.00 0.00 H new ATOM 961 N ALA A 273 -1.463 2.492 6.787 1.00 0.00 N ATOM 962 CA ALA A 273 -0.708 3.250 7.780 1.00 0.00 C ATOM 963 C ALA A 273 0.080 4.382 7.125 1.00 0.00 C ATOM 964 O ALA A 273 0.482 4.285 5.966 1.00 0.00 O ATOM 965 CB ALA A 273 0.228 2.338 8.560 1.00 0.00 C ATOM 0 H ALA A 273 -0.969 2.337 5.908 1.00 0.00 H new ATOM 0 HA ALA A 273 -1.423 3.689 8.475 1.00 0.00 H new ATOM 0 HB1 ALA A 273 0.780 2.925 9.294 1.00 0.00 H new ATOM 0 HB2 ALA A 273 -0.354 1.571 9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 273 0.929 1.863 7.874 1.00 0.00 H new ATOM 971 N PRO A 274 0.306 5.479 7.868 1.00 0.00 N ATOM 972 CA PRO A 274 1.046 6.642 7.366 1.00 0.00 C ATOM 973 C PRO A 274 2.392 6.262 6.761 1.00 0.00 C ATOM 974 O PRO A 274 2.908 5.172 7.000 1.00 0.00 O ATOM 975 CB PRO A 274 1.261 7.496 8.614 1.00 0.00 C ATOM 976 CG PRO A 274 0.164 7.110 9.543 1.00 0.00 C ATOM 977 CD PRO A 274 -0.145 5.668 9.257 1.00 0.00 C ATOM 0 HA PRO A 274 0.502 7.148 6.568 1.00 0.00 H new ATOM 0 HB2 PRO A 274 2.238 7.306 9.058 1.00 0.00 H new ATOM 0 HB3 PRO A 274 1.220 8.559 8.376 1.00 0.00 H new ATOM 0 HG2 PRO A 274 0.469 7.244 10.581 1.00 0.00 H new ATOM 0 HG3 PRO A 274 -0.716 7.734 9.386 1.00 0.00 H new ATOM 0 HD2 PRO A 274 0.381 5.003 9.942 1.00 0.00 H new ATOM 0 HD3 PRO A 274 -1.209 5.458 9.364 1.00 0.00 H new ATOM 985 N VAL A 275 2.958 7.176 5.978 1.00 0.00 N ATOM 986 CA VAL A 275 4.247 6.943 5.342 1.00 0.00 C ATOM 987 C VAL A 275 5.382 7.003 6.363 1.00 0.00 C ATOM 988 O VAL A 275 6.427 6.380 6.178 1.00 0.00 O ATOM 989 CB VAL A 275 4.513 7.970 4.223 1.00 0.00 C ATOM 990 CG1 VAL A 275 4.516 9.387 4.778 1.00 0.00 C ATOM 991 CG2 VAL A 275 5.825 7.664 3.514 1.00 0.00 C ATOM 0 H VAL A 275 2.543 8.084 5.770 1.00 0.00 H new ATOM 0 HA VAL A 275 4.212 5.945 4.905 1.00 0.00 H new ATOM 0 HB VAL A 275 3.706 7.895 3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 275 4.706 10.094 3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 275 3.548 9.603 5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 275 5.297 9.481 5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 275 5.994 8.400 2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 275 6.644 7.705 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 275 5.777 6.668 3.074 1.00 0.00 H new ATOM 1001 N HIS A 276 5.170 7.756 7.442 1.00 0.00 N ATOM 1002 CA HIS A 276 6.179 7.889 8.485 1.00 0.00 C ATOM 1003 C HIS A 276 6.173 6.675 9.410 1.00 0.00 C ATOM 1004 O HIS A 276 7.193 6.336 10.012 1.00 0.00 O ATOM 1005 CB HIS A 276 5.950 9.168 9.298 1.00 0.00 C ATOM 1006 CG HIS A 276 4.542 9.339 9.778 1.00 0.00 C ATOM 1007 ND1 HIS A 276 3.722 8.494 10.448 1.00 0.00 N flip ATOM 1008 CD2 HIS A 276 3.820 10.499 9.588 1.00 0.00 C flip ATOM 1009 CE1 HIS A 276 2.534 9.153 10.649 1.00 0.00 C flip ATOM 1010 NE2 HIS A 276 2.619 10.360 10.123 1.00 0.00 N flip ATOM 0 H HIS A 276 4.312 8.280 7.614 1.00 0.00 H new ATOM 0 HA HIS A 276 7.153 7.949 8.000 1.00 0.00 H new ATOM 0 HB2 HIS A 276 6.619 9.164 10.159 1.00 0.00 H new ATOM 0 HB3 HIS A 276 6.222 10.029 8.687 1.00 0.00 H new ATOM 0 HD2 HIS A 276 4.180 11.382 9.081 1.00 0.00 H new ATOM 0 HE1 HIS A 276 1.670 8.749 11.156 1.00 0.00 H new ATOM 0 HE2 HIS A 276 1.883 11.066 10.128 1.00 0.00 H new ATOM 1019 N LYS A 277 5.022 6.018 9.512 1.00 0.00 N ATOM 1020 CA LYS A 277 4.889 4.837 10.357 1.00 0.00 C ATOM 1021 C LYS A 277 5.437 3.601 9.653 1.00 0.00 C ATOM 1022 O LYS A 277 5.750 2.598 10.296 1.00 0.00 O ATOM 1023 CB LYS A 277 3.424 4.609 10.735 1.00 0.00 C ATOM 1024 CG LYS A 277 2.948 5.473 11.892 1.00 0.00 C ATOM 1025 CD LYS A 277 2.496 4.628 13.075 1.00 0.00 C ATOM 1026 CE LYS A 277 3.274 4.965 14.339 1.00 0.00 C ATOM 1027 NZ LYS A 277 3.163 6.408 14.695 1.00 0.00 N ATOM 0 H LYS A 277 4.169 6.283 9.020 1.00 0.00 H new ATOM 0 HA LYS A 277 5.468 5.008 11.264 1.00 0.00 H new ATOM 0 HB2 LYS A 277 2.799 4.807 9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 277 3.285 3.560 10.996 1.00 0.00 H new ATOM 0 HG2 LYS A 277 3.753 6.138 12.206 1.00 0.00 H new ATOM 0 HG3 LYS A 277 2.124 6.105 11.560 1.00 0.00 H new ATOM 0 HD2 LYS A 277 1.432 4.787 13.250 1.00 0.00 H new ATOM 0 HD3 LYS A 277 2.626 3.572 12.838 1.00 0.00 H new ATOM 0 HE2 LYS A 277 2.904 4.358 15.165 1.00 0.00 H new ATOM 0 HE3 LYS A 277 4.323 4.706 14.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 277 3.284 6.523 15.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 277 3.900 6.946 14.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 277 2.227 6.764 14.415 1.00 0.00 H new ATOM 1041 N VAL A 278 5.550 3.678 8.332 1.00 0.00 N ATOM 1042 CA VAL A 278 6.059 2.561 7.550 1.00 0.00 C ATOM 1043 C VAL A 278 7.555 2.696 7.298 1.00 0.00 C ATOM 1044 O VAL A 278 8.070 3.798 7.116 1.00 0.00 O ATOM 1045 CB VAL A 278 5.330 2.434 6.200 1.00 0.00 C ATOM 1046 CG1 VAL A 278 5.724 1.144 5.505 1.00 0.00 C ATOM 1047 CG2 VAL A 278 3.825 2.499 6.393 1.00 0.00 C ATOM 0 H VAL A 278 5.297 4.500 7.783 1.00 0.00 H new ATOM 0 HA VAL A 278 5.874 1.662 8.137 1.00 0.00 H new ATOM 0 HB VAL A 278 5.628 3.272 5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 278 5.200 1.069 4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 278 6.800 1.139 5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 278 5.456 0.295 6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 278 3.330 2.407 5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 278 3.506 1.684 7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 278 3.557 3.452 6.849 1.00 0.00 H new ATOM 1057 N THR A 279 8.245 1.562 7.294 1.00 0.00 N ATOM 1058 CA THR A 279 9.684 1.542 7.067 1.00 0.00 C ATOM 1059 C THR A 279 10.085 0.321 6.244 1.00 0.00 C ATOM 1060 O THR A 279 9.509 -0.755 6.395 1.00 0.00 O ATOM 1061 CB THR A 279 10.431 1.540 8.401 1.00 0.00 C ATOM 1062 OG1 THR A 279 9.578 1.953 9.455 1.00 0.00 O ATOM 1063 CG2 THR A 279 11.642 2.447 8.411 1.00 0.00 C ATOM 0 H THR A 279 7.830 0.643 7.446 1.00 0.00 H new ATOM 0 HA THR A 279 9.953 2.439 6.510 1.00 0.00 H new ATOM 0 HB THR A 279 10.765 0.512 8.542 1.00 0.00 H new ATOM 0 HG1 THR A 279 10.074 1.944 10.300 1.00 0.00 H new ATOM 0 HG21 THR A 279 12.125 2.398 9.387 1.00 0.00 H new ATOM 0 HG22 THR A 279 12.344 2.125 7.642 1.00 0.00 H new ATOM 0 HG23 THR A 279 11.330 3.472 8.212 1.00 0.00 H new ATOM 1071 N LYS A 280 11.077 0.496 5.377 1.00 0.00 N ATOM 1072 CA LYS A 280 11.552 -0.594 4.535 1.00 0.00 C ATOM 1073 C LYS A 280 12.206 -1.685 5.375 1.00 0.00 C ATOM 1074 O LYS A 280 13.000 -1.400 6.272 1.00 0.00 O ATOM 1075 CB LYS A 280 12.540 -0.067 3.491 1.00 0.00 C ATOM 1076 CG LYS A 280 12.145 -0.397 2.061 1.00 0.00 C ATOM 1077 CD LYS A 280 13.275 -0.097 1.088 1.00 0.00 C ATOM 1078 CE LYS A 280 13.016 1.180 0.305 1.00 0.00 C ATOM 1079 NZ LYS A 280 14.150 2.138 0.414 1.00 0.00 N ATOM 0 H LYS A 280 11.566 1.381 5.240 1.00 0.00 H new ATOM 0 HA LYS A 280 10.693 -1.026 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 280 12.624 1.015 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.526 -0.485 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 280 11.873 -1.450 1.991 1.00 0.00 H new ATOM 0 HG3 LYS A 280 11.262 0.179 1.784 1.00 0.00 H new ATOM 0 HD2 LYS A 280 14.213 -0.004 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 280 13.391 -0.931 0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 280 12.847 0.935 -0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 280 12.105 1.653 0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 13.934 2.995 -0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 14.295 2.392 1.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 15.014 1.697 0.040 1.00 0.00 H new ATOM 1093 N ILE A 281 11.866 -2.936 5.078 1.00 0.00 N ATOM 1094 CA ILE A 281 12.420 -4.070 5.806 1.00 0.00 C ATOM 1095 C ILE A 281 13.704 -4.568 5.150 1.00 0.00 C ATOM 1096 O ILE A 281 14.596 -5.089 5.822 1.00 0.00 O ATOM 1097 CB ILE A 281 11.408 -5.231 5.888 1.00 0.00 C ATOM 1098 CG1 ILE A 281 11.961 -6.363 6.756 1.00 0.00 C ATOM 1099 CG2 ILE A 281 11.066 -5.741 4.494 1.00 0.00 C ATOM 1100 CD1 ILE A 281 10.910 -7.365 7.183 1.00 0.00 C ATOM 0 H ILE A 281 11.210 -3.189 4.339 1.00 0.00 H new ATOM 0 HA ILE A 281 12.644 -3.724 6.815 1.00 0.00 H new ATOM 0 HB ILE A 281 10.493 -4.860 6.350 1.00 0.00 H new ATOM 0 HG12 ILE A 281 12.745 -6.883 6.205 1.00 0.00 H new ATOM 0 HG13 ILE A 281 12.426 -5.935 7.644 1.00 0.00 H new ATOM 0 HG21 ILE A 281 10.351 -6.560 4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 281 10.630 -4.932 3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 281 11.973 -6.096 4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 281 11.373 -8.139 7.795 1.00 0.00 H new ATOM 0 HD12 ILE A 281 10.138 -6.858 7.762 1.00 0.00 H new ATOM 0 HD13 ILE A 281 10.462 -7.821 6.300 1.00 0.00 H new ATOM 1112 N GLY A 282 13.793 -4.405 3.834 1.00 0.00 N ATOM 1113 CA GLY A 282 14.971 -4.843 3.110 1.00 0.00 C ATOM 1114 C GLY A 282 15.008 -6.346 2.919 1.00 0.00 C ATOM 1115 O GLY A 282 13.988 -6.968 2.628 1.00 0.00 O ATOM 0 H GLY A 282 13.070 -3.977 3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 282 14.997 -4.355 2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 282 15.864 -4.526 3.649 1.00 0.00 H new ATOM 1119 N PHE A 283 16.191 -6.932 3.085 1.00 0.00 N ATOM 1120 CA PHE A 283 16.359 -8.371 2.929 1.00 0.00 C ATOM 1121 C PHE A 283 16.613 -9.037 4.280 1.00 0.00 C ATOM 1122 O PHE A 283 17.335 -8.498 5.119 1.00 0.00 O ATOM 1123 CB PHE A 283 17.517 -8.668 1.975 1.00 0.00 C ATOM 1124 CG PHE A 283 17.337 -9.937 1.189 1.00 0.00 C ATOM 1125 CD1 PHE A 283 16.398 -10.009 0.173 1.00 0.00 C ATOM 1126 CD2 PHE A 283 18.106 -11.054 1.467 1.00 0.00 C ATOM 1127 CE1 PHE A 283 16.229 -11.173 -0.552 1.00 0.00 C ATOM 1128 CE2 PHE A 283 17.943 -12.222 0.746 1.00 0.00 C ATOM 1129 CZ PHE A 283 17.003 -12.281 -0.265 1.00 0.00 C ATOM 0 H PHE A 283 17.046 -6.431 3.327 1.00 0.00 H new ATOM 0 HA PHE A 283 15.439 -8.778 2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 283 17.630 -7.834 1.282 1.00 0.00 H new ATOM 0 HB3 PHE A 283 18.442 -8.733 2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 283 15.791 -9.145 -0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 283 18.842 -11.012 2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 283 15.493 -11.217 -1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 283 18.549 -13.087 0.972 1.00 0.00 H new ATOM 0 HZ PHE A 283 16.873 -13.192 -0.830 1.00 0.00 H new TER 1139 PHE A 283 ATOM 1140 N GLY B 444 7.161 9.193 23.077 1.00 0.00 N ATOM 1141 CA GLY B 444 6.847 7.842 22.655 1.00 0.00 C ATOM 1142 C GLY B 444 5.864 7.796 21.498 1.00 0.00 C ATOM 1143 O GLY B 444 5.439 6.718 21.084 1.00 0.00 O ATOM 0 HA2 GLY B 444 7.767 7.335 22.364 1.00 0.00 H new ATOM 0 HA3 GLY B 444 6.433 7.290 23.499 1.00 0.00 H new ATOM 1146 N GLU B 445 5.501 8.964 20.976 1.00 0.00 N ATOM 1147 CA GLU B 445 4.562 9.045 19.863 1.00 0.00 C ATOM 1148 C GLU B 445 3.228 8.397 20.226 1.00 0.00 C ATOM 1149 O GLU B 445 2.963 8.110 21.393 1.00 0.00 O ATOM 1150 CB GLU B 445 5.154 8.371 18.621 1.00 0.00 C ATOM 1151 CG GLU B 445 5.136 9.256 17.384 1.00 0.00 C ATOM 1152 CD GLU B 445 6.020 8.722 16.274 1.00 0.00 C ATOM 1153 OE1 GLU B 445 5.524 7.929 15.447 1.00 0.00 O ATOM 1154 OE2 GLU B 445 7.211 9.098 16.232 1.00 0.00 O ATOM 0 H GLU B 445 5.843 9.867 21.306 1.00 0.00 H new ATOM 0 HA GLU B 445 4.383 10.098 19.645 1.00 0.00 H new ATOM 0 HB2 GLU B 445 6.182 8.076 18.832 1.00 0.00 H new ATOM 0 HB3 GLU B 445 4.597 7.458 18.413 1.00 0.00 H new ATOM 0 HG2 GLU B 445 4.113 9.343 17.019 1.00 0.00 H new ATOM 0 HG3 GLU B 445 5.465 10.259 17.655 1.00 0.00 H new ATOM 1161 N GLU B 446 2.391 8.170 19.219 1.00 0.00 N ATOM 1162 CA GLU B 446 1.085 7.558 19.433 1.00 0.00 C ATOM 1163 C GLU B 446 0.996 6.203 18.737 1.00 0.00 C ATOM 1164 O GLU B 446 1.870 5.837 17.952 1.00 0.00 O ATOM 1165 CB GLU B 446 -0.024 8.481 18.923 1.00 0.00 C ATOM 1166 CG GLU B 446 -1.374 8.224 19.570 1.00 0.00 C ATOM 1167 CD GLU B 446 -2.091 9.503 19.957 1.00 0.00 C ATOM 1168 OE1 GLU B 446 -1.403 10.499 20.263 1.00 0.00 O ATOM 1169 OE2 GLU B 446 -3.340 9.509 19.951 1.00 0.00 O ATOM 0 H GLU B 446 2.594 8.401 18.246 1.00 0.00 H new ATOM 0 HA GLU B 446 0.956 7.404 20.504 1.00 0.00 H new ATOM 0 HB2 GLU B 446 0.265 9.516 19.103 1.00 0.00 H new ATOM 0 HB3 GLU B 446 -0.119 8.360 17.844 1.00 0.00 H new ATOM 0 HG2 GLU B 446 -2.000 7.656 18.882 1.00 0.00 H new ATOM 0 HG3 GLU B 446 -1.235 7.607 20.458 1.00 0.00 H new ATOM 1176 N GLU B 447 -0.068 5.463 19.033 1.00 0.00 N ATOM 1177 CA GLU B 447 -0.278 4.147 18.441 1.00 0.00 C ATOM 1178 C GLU B 447 -1.680 4.037 17.850 1.00 0.00 C ATOM 1179 O GLU B 447 -2.562 4.836 18.166 1.00 0.00 O ATOM 1180 CB GLU B 447 -0.063 3.051 19.485 1.00 0.00 C ATOM 1181 CG GLU B 447 1.139 3.292 20.384 1.00 0.00 C ATOM 1182 CD GLU B 447 1.835 2.005 20.784 1.00 0.00 C ATOM 1183 OE1 GLU B 447 2.636 1.489 19.978 1.00 0.00 O ATOM 1184 OE2 GLU B 447 1.578 1.516 21.904 1.00 0.00 O ATOM 0 H GLU B 447 -0.800 5.754 19.681 1.00 0.00 H new ATOM 0 HA GLU B 447 0.448 4.017 17.638 1.00 0.00 H new ATOM 0 HB2 GLU B 447 -0.957 2.969 20.103 1.00 0.00 H new ATOM 0 HB3 GLU B 447 0.061 2.095 18.976 1.00 0.00 H new ATOM 0 HG2 GLU B 447 1.849 3.940 19.870 1.00 0.00 H new ATOM 0 HG3 GLU B 447 0.817 3.821 21.281 1.00 0.00 H new ATOM 1191 N GLY B 448 -1.880 3.042 16.990 1.00 0.00 N ATOM 1192 CA GLY B 448 -3.181 2.852 16.372 1.00 0.00 C ATOM 1193 C GLY B 448 -3.381 3.741 15.162 1.00 0.00 C ATOM 1194 O GLY B 448 -4.512 4.080 14.812 1.00 0.00 O ATOM 0 H GLY B 448 -1.168 2.367 16.711 1.00 0.00 H new ATOM 0 HA2 GLY B 448 -3.290 1.809 16.075 1.00 0.00 H new ATOM 0 HA3 GLY B 448 -3.962 3.058 17.104 1.00 0.00 H new ATOM 1198 N GLU B 449 -2.279 4.127 14.522 1.00 0.00 N ATOM 1199 CA GLU B 449 -2.337 4.989 13.345 1.00 0.00 C ATOM 1200 C GLU B 449 -2.484 4.177 12.064 1.00 0.00 C ATOM 1201 O GLU B 449 -2.195 4.674 10.980 1.00 0.00 O ATOM 1202 CB GLU B 449 -1.075 5.846 13.246 1.00 0.00 C ATOM 1203 CG GLU B 449 -0.505 6.267 14.595 1.00 0.00 C ATOM 1204 CD GLU B 449 -0.153 7.741 14.645 1.00 0.00 C ATOM 1205 OE1 GLU B 449 -1.007 8.568 14.261 1.00 0.00 O ATOM 1206 OE2 GLU B 449 0.976 8.067 15.068 1.00 0.00 O ATOM 0 H GLU B 449 -1.336 3.856 14.799 1.00 0.00 H new ATOM 0 HA GLU B 449 -3.212 5.629 13.458 1.00 0.00 H new ATOM 0 HB2 GLU B 449 -0.313 5.291 12.698 1.00 0.00 H new ATOM 0 HB3 GLU B 449 -1.299 6.739 12.663 1.00 0.00 H new ATOM 0 HG2 GLU B 449 -1.230 6.044 15.377 1.00 0.00 H new ATOM 0 HG3 GLU B 449 0.386 5.677 14.809 1.00 0.00 H new ATOM 1213 N GLU B 450 -2.926 2.929 12.182 1.00 0.00 N ATOM 1214 CA GLU B 450 -3.091 2.084 11.008 1.00 0.00 C ATOM 1215 C GLU B 450 -4.445 1.381 11.014 1.00 0.00 C ATOM 1216 O GLU B 450 -5.015 1.113 12.072 1.00 0.00 O ATOM 1217 CB GLU B 450 -1.954 1.060 10.926 1.00 0.00 C ATOM 1218 CG GLU B 450 -2.077 -0.082 11.922 1.00 0.00 C ATOM 1219 CD GLU B 450 -1.983 0.386 13.360 1.00 0.00 C ATOM 1220 OE1 GLU B 450 -1.032 1.127 13.683 1.00 0.00 O ATOM 1221 OE2 GLU B 450 -2.861 0.007 14.166 1.00 0.00 O ATOM 0 H GLU B 450 -3.173 2.486 13.067 1.00 0.00 H new ATOM 0 HA GLU B 450 -3.054 2.723 10.126 1.00 0.00 H new ATOM 0 HB2 GLU B 450 -1.923 0.647 9.918 1.00 0.00 H new ATOM 0 HB3 GLU B 450 -1.006 1.571 11.091 1.00 0.00 H new ATOM 0 HG2 GLU B 450 -3.029 -0.590 11.771 1.00 0.00 H new ATOM 0 HG3 GLU B 450 -1.292 -0.813 11.730 1.00 0.00 H new ATOM 1228 N TYR B 451 -4.953 1.088 9.821 1.00 0.00 N ATOM 1229 CA TYR B 451 -6.239 0.421 9.676 1.00 0.00 C ATOM 1230 C TYR B 451 -6.165 -0.684 8.628 1.00 0.00 C ATOM 1231 O TYR B 451 -5.048 -1.178 8.366 1.00 0.00 O ATOM 1232 CB TYR B 451 -7.318 1.433 9.288 1.00 0.00 C ATOM 1233 CG TYR B 451 -7.852 2.228 10.460 1.00 0.00 C ATOM 1234 CD1 TYR B 451 -7.189 3.361 10.914 1.00 0.00 C ATOM 1235 CD2 TYR B 451 -9.016 1.843 11.112 1.00 0.00 C ATOM 1236 CE1 TYR B 451 -7.672 4.089 11.984 1.00 0.00 C ATOM 1237 CE2 TYR B 451 -9.505 2.567 12.183 1.00 0.00 C ATOM 1238 CZ TYR B 451 -8.830 3.689 12.615 1.00 0.00 C ATOM 1239 OH TYR B 451 -9.314 4.411 13.680 1.00 0.00 O ATOM 1240 OXT TYR B 451 -7.227 -1.046 8.077 1.00 0.00 O ATOM 0 H TYR B 451 -4.490 1.304 8.938 1.00 0.00 H new ATOM 0 HA TYR B 451 -6.497 -0.029 10.635 1.00 0.00 H new ATOM 0 HB2 TYR B 451 -6.909 2.122 8.548 1.00 0.00 H new ATOM 0 HB3 TYR B 451 -8.144 0.906 8.811 1.00 0.00 H new ATOM 0 HD1 TYR B 451 -6.281 3.678 10.422 1.00 0.00 H new ATOM 0 HD2 TYR B 451 -9.547 0.964 10.777 1.00 0.00 H new ATOM 0 HE1 TYR B 451 -7.144 4.968 12.325 1.00 0.00 H new ATOM 0 HE2 TYR B 451 -10.412 2.255 12.679 1.00 0.00 H new ATOM 0 HH TYR B 451 -10.138 3.995 14.009 1.00 0.00 H new TER 1250 TYR B 451