USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=12 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= 0.00463 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 THR OG1 : rot -23:sc= -2.76! USER MOD Single : A 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 CYS SG : rot 180:sc= -4.79! USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 ASN : amide:sc= 0.322 K(o=0.32,f=-6.6!) USER MOD Single : A 260 THR OG1 : rot 180:sc= 0 USER MOD Single : A 262 TYR OH : rot -85:sc= -0.765 USER MOD Single : A 264 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.26) USER MOD Single : A 265 CYS SG : rot -126:sc= -1.49 USER MOD Single : A 266 GLN : amide:sc= -0.166 X(o=-0.17,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= -1.51 USER MOD Single : A 276 HIS :FLIP no HD1:sc= -4.53! C(o=-5.1!,f=-4.5!) USER MOD Single : A 277 LYS NZ :NH3+ -146:sc= -1.16 (180deg=-3.39!) USER MOD Single : A 279 THR OG1 : rot 180:sc= 0 USER MOD Single : A 280 LYS NZ :NH3+ -111:sc= 0.532 (180deg=0) USER MOD Single : B 451 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 210 8.706 9.996 -2.425 1.00 0.00 N ATOM 2 CA ARG A 210 9.558 10.813 -1.568 1.00 0.00 C ATOM 3 C ARG A 210 10.111 9.994 -0.405 1.00 0.00 C ATOM 4 O ARG A 210 11.273 10.147 -0.026 1.00 0.00 O ATOM 5 CB ARG A 210 8.775 12.014 -1.033 1.00 0.00 C ATOM 6 CG ARG A 210 9.659 13.084 -0.407 1.00 0.00 C ATOM 7 CD ARG A 210 9.398 14.456 -1.012 1.00 0.00 C ATOM 8 NE ARG A 210 8.686 15.335 -0.087 1.00 0.00 N ATOM 9 CZ ARG A 210 9.270 15.986 0.915 1.00 0.00 C ATOM 10 NH1 ARG A 210 10.574 15.855 1.130 1.00 0.00 N ATOM 11 NH2 ARG A 210 8.550 16.768 1.708 1.00 0.00 N ATOM 0 HA ARG A 210 10.396 11.169 -2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 210 8.203 12.457 -1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 210 8.056 11.668 -0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 210 9.480 13.120 0.668 1.00 0.00 H new ATOM 0 HG3 ARG A 210 10.707 12.818 -0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 210 10.346 14.915 -1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 210 8.816 14.344 -1.927 1.00 0.00 H new ATOM 0 HE ARG A 210 7.682 15.456 -0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 210 11.133 15.253 0.525 1.00 0.00 H new ATOM 0 HH12 ARG A 210 11.017 16.357 1.900 1.00 0.00 H new ATOM 0 HH21 ARG A 210 7.548 16.871 1.550 1.00 0.00 H new ATOM 0 HH22 ARG A 210 8.999 17.267 2.476 1.00 0.00 H new ATOM 24 N GLU A 211 9.275 9.130 0.158 1.00 0.00 N ATOM 25 CA GLU A 211 9.684 8.294 1.281 1.00 0.00 C ATOM 26 C GLU A 211 9.640 6.815 0.907 1.00 0.00 C ATOM 27 O GLU A 211 10.656 6.121 0.960 1.00 0.00 O ATOM 28 CB GLU A 211 8.786 8.554 2.491 1.00 0.00 C ATOM 29 CG GLU A 211 9.372 9.546 3.482 1.00 0.00 C ATOM 30 CD GLU A 211 8.460 9.799 4.665 1.00 0.00 C ATOM 31 OE1 GLU A 211 8.271 8.870 5.479 1.00 0.00 O ATOM 32 OE2 GLU A 211 7.931 10.924 4.777 1.00 0.00 O ATOM 0 H GLU A 211 8.311 8.990 -0.144 1.00 0.00 H new ATOM 0 HA GLU A 211 10.711 8.553 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 211 7.822 8.926 2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 211 8.598 7.610 3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 211 10.331 9.171 3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 211 9.569 10.489 2.972 1.00 0.00 H new ATOM 39 N LEU A 212 8.456 6.335 0.536 1.00 0.00 N ATOM 40 CA LEU A 212 8.284 4.937 0.161 1.00 0.00 C ATOM 41 C LEU A 212 7.752 4.810 -1.263 1.00 0.00 C ATOM 42 O LEU A 212 7.152 5.743 -1.799 1.00 0.00 O ATOM 43 CB LEU A 212 7.330 4.242 1.133 1.00 0.00 C ATOM 44 CG LEU A 212 7.879 4.038 2.545 1.00 0.00 C ATOM 45 CD1 LEU A 212 6.762 3.669 3.506 1.00 0.00 C ATOM 46 CD2 LEU A 212 8.960 2.966 2.546 1.00 0.00 C ATOM 0 H LEU A 212 7.604 6.893 0.487 1.00 0.00 H new ATOM 0 HA LEU A 212 9.261 4.455 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 212 6.412 4.826 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 212 7.060 3.270 0.721 1.00 0.00 H new ATOM 0 HG LEU A 212 8.322 4.976 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 212 7.174 3.528 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 212 6.022 4.469 3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 212 6.288 2.745 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 212 9.340 2.833 3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 212 8.540 2.025 2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 212 9.775 3.271 1.890 1.00 0.00 H new ATOM 58 N LYS A 213 7.975 3.650 -1.867 1.00 0.00 N ATOM 59 CA LYS A 213 7.517 3.393 -3.228 1.00 0.00 C ATOM 60 C LYS A 213 6.705 2.104 -3.291 1.00 0.00 C ATOM 61 O LYS A 213 6.921 1.184 -2.500 1.00 0.00 O ATOM 62 CB LYS A 213 8.711 3.304 -4.182 1.00 0.00 C ATOM 63 CG LYS A 213 9.739 4.405 -3.974 1.00 0.00 C ATOM 64 CD LYS A 213 10.929 3.915 -3.162 1.00 0.00 C ATOM 65 CE LYS A 213 11.183 4.798 -1.952 1.00 0.00 C ATOM 66 NZ LYS A 213 11.767 6.113 -2.335 1.00 0.00 N ATOM 0 H LYS A 213 8.471 2.870 -1.436 1.00 0.00 H new ATOM 0 HA LYS A 213 6.878 4.221 -3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 213 9.196 2.336 -4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 213 8.349 3.346 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 213 10.084 4.769 -4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 213 9.272 5.248 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 213 10.750 2.891 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 213 11.818 3.897 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 213 10.247 4.959 -1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 213 11.858 4.287 -1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 213 11.925 6.685 -1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 213 12.673 5.962 -2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 213 11.112 6.612 -2.970 1.00 0.00 H new ATOM 80 N ILE A 214 5.769 2.044 -4.231 1.00 0.00 N ATOM 81 CA ILE A 214 4.923 0.867 -4.392 1.00 0.00 C ATOM 82 C ILE A 214 5.741 -0.341 -4.839 1.00 0.00 C ATOM 83 O ILE A 214 6.686 -0.211 -5.619 1.00 0.00 O ATOM 84 CB ILE A 214 3.796 1.119 -5.410 1.00 0.00 C ATOM 85 CG1 ILE A 214 3.040 2.401 -5.056 1.00 0.00 C ATOM 86 CG2 ILE A 214 2.845 -0.069 -5.457 1.00 0.00 C ATOM 87 CD1 ILE A 214 1.888 2.703 -5.989 1.00 0.00 C ATOM 0 H ILE A 214 5.577 2.796 -4.893 1.00 0.00 H new ATOM 0 HA ILE A 214 4.480 0.660 -3.418 1.00 0.00 H new ATOM 0 HB ILE A 214 4.239 1.241 -6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 214 2.660 2.319 -4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 214 3.737 3.239 -5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 214 2.055 0.126 -6.182 1.00 0.00 H new ATOM 0 HG22 ILE A 214 3.394 -0.963 -5.751 1.00 0.00 H new ATOM 0 HG23 ILE A 214 2.404 -0.222 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 214 1.399 3.626 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 214 2.264 2.818 -7.006 1.00 0.00 H new ATOM 0 HD13 ILE A 214 1.170 1.883 -5.958 1.00 0.00 H new ATOM 99 N GLY A 215 5.371 -1.516 -4.339 1.00 0.00 N ATOM 100 CA GLY A 215 6.080 -2.732 -4.696 1.00 0.00 C ATOM 101 C GLY A 215 7.279 -2.996 -3.803 1.00 0.00 C ATOM 102 O GLY A 215 7.938 -4.028 -3.933 1.00 0.00 O ATOM 0 H GLY A 215 4.593 -1.648 -3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 215 5.395 -3.578 -4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 215 6.412 -2.663 -5.732 1.00 0.00 H new ATOM 106 N ASP A 216 7.568 -2.065 -2.897 1.00 0.00 N ATOM 107 CA ASP A 216 8.698 -2.209 -1.989 1.00 0.00 C ATOM 108 C ASP A 216 8.266 -2.823 -0.662 1.00 0.00 C ATOM 109 O ASP A 216 7.173 -2.554 -0.167 1.00 0.00 O ATOM 110 CB ASP A 216 9.360 -0.853 -1.743 1.00 0.00 C ATOM 111 CG ASP A 216 10.283 -0.445 -2.874 1.00 0.00 C ATOM 112 OD1 ASP A 216 9.803 0.200 -3.830 1.00 0.00 O ATOM 113 OD2 ASP A 216 11.487 -0.774 -2.807 1.00 0.00 O ATOM 0 H ASP A 216 7.035 -1.204 -2.774 1.00 0.00 H new ATOM 0 HA ASP A 216 9.418 -2.880 -2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.589 -0.093 -1.616 1.00 0.00 H new ATOM 0 HB3 ASP A 216 9.926 -0.892 -0.812 1.00 0.00 H new ATOM 118 N ARG A 217 9.138 -3.648 -0.089 1.00 0.00 N ATOM 119 CA ARG A 217 8.852 -4.297 1.185 1.00 0.00 C ATOM 120 C ARG A 217 9.027 -3.313 2.335 1.00 0.00 C ATOM 121 O ARG A 217 9.996 -2.557 2.373 1.00 0.00 O ATOM 122 CB ARG A 217 9.768 -5.507 1.384 1.00 0.00 C ATOM 123 CG ARG A 217 9.214 -6.539 2.350 1.00 0.00 C ATOM 124 CD ARG A 217 8.294 -7.524 1.645 1.00 0.00 C ATOM 125 NE ARG A 217 9.036 -8.609 1.009 1.00 0.00 N ATOM 126 CZ ARG A 217 8.461 -9.633 0.382 1.00 0.00 C ATOM 127 NH1 ARG A 217 7.138 -9.716 0.308 1.00 0.00 N ATOM 128 NH2 ARG A 217 9.211 -10.577 -0.171 1.00 0.00 N ATOM 0 H ARG A 217 10.047 -3.882 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 217 7.817 -4.639 1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 217 9.942 -5.982 0.419 1.00 0.00 H new ATOM 0 HB3 ARG A 217 10.736 -5.163 1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 217 10.037 -7.079 2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 217 8.668 -6.036 3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 217 7.589 -7.940 2.365 1.00 0.00 H new ATOM 0 HD3 ARG A 217 7.707 -6.997 0.893 1.00 0.00 H new ATOM 0 HE ARG A 217 10.055 -8.581 1.047 1.00 0.00 H new ATOM 0 HH11 ARG A 217 6.557 -8.993 0.733 1.00 0.00 H new ATOM 0 HH12 ARG A 217 6.702 -10.503 -0.174 1.00 0.00 H new ATOM 0 HH21 ARG A 217 10.228 -10.518 -0.116 1.00 0.00 H new ATOM 0 HH22 ARG A 217 8.771 -11.362 -0.651 1.00 0.00 H new ATOM 142 N VAL A 218 8.079 -3.321 3.264 1.00 0.00 N ATOM 143 CA VAL A 218 8.130 -2.419 4.406 1.00 0.00 C ATOM 144 C VAL A 218 7.380 -2.988 5.605 1.00 0.00 C ATOM 145 O VAL A 218 6.873 -4.108 5.562 1.00 0.00 O ATOM 146 CB VAL A 218 7.524 -1.045 4.055 1.00 0.00 C ATOM 147 CG1 VAL A 218 8.153 -0.491 2.786 1.00 0.00 C ATOM 148 CG2 VAL A 218 6.010 -1.148 3.906 1.00 0.00 C ATOM 0 H VAL A 218 7.269 -3.940 3.249 1.00 0.00 H new ATOM 0 HA VAL A 218 9.183 -2.303 4.664 1.00 0.00 H new ATOM 0 HB VAL A 218 7.740 -0.356 4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 218 7.712 0.479 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 218 9.227 -0.376 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 218 7.971 -1.178 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 218 5.601 -0.168 3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 218 5.770 -1.853 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 218 5.575 -1.496 4.843 1.00 0.00 H new ATOM 158 N LEU A 219 7.302 -2.192 6.665 1.00 0.00 N ATOM 159 CA LEU A 219 6.598 -2.593 7.874 1.00 0.00 C ATOM 160 C LEU A 219 5.528 -1.571 8.225 1.00 0.00 C ATOM 161 O LEU A 219 5.828 -0.399 8.436 1.00 0.00 O ATOM 162 CB LEU A 219 7.565 -2.736 9.048 1.00 0.00 C ATOM 163 CG LEU A 219 8.663 -3.786 8.879 1.00 0.00 C ATOM 164 CD1 LEU A 219 9.406 -3.987 10.192 1.00 0.00 C ATOM 165 CD2 LEU A 219 8.076 -5.101 8.390 1.00 0.00 C ATOM 0 H LEU A 219 7.720 -1.262 6.710 1.00 0.00 H new ATOM 0 HA LEU A 219 6.131 -3.559 7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 219 8.036 -1.770 9.226 1.00 0.00 H new ATOM 0 HB3 LEU A 219 6.990 -2.979 9.941 1.00 0.00 H new ATOM 0 HG LEU A 219 9.371 -3.430 8.130 1.00 0.00 H new ATOM 0 HD11 LEU A 219 10.185 -4.737 10.058 1.00 0.00 H new ATOM 0 HD12 LEU A 219 9.859 -3.045 10.502 1.00 0.00 H new ATOM 0 HD13 LEU A 219 8.707 -4.323 10.958 1.00 0.00 H new ATOM 0 HD21 LEU A 219 8.873 -5.835 8.276 1.00 0.00 H new ATOM 0 HD22 LEU A 219 7.348 -5.466 9.114 1.00 0.00 H new ATOM 0 HD23 LEU A 219 7.586 -4.946 7.429 1.00 0.00 H new ATOM 177 N VAL A 220 4.284 -2.019 8.296 1.00 0.00 N ATOM 178 CA VAL A 220 3.180 -1.129 8.635 1.00 0.00 C ATOM 179 C VAL A 220 2.997 -1.075 10.148 1.00 0.00 C ATOM 180 O VAL A 220 2.605 -2.062 10.774 1.00 0.00 O ATOM 181 CB VAL A 220 1.850 -1.549 7.962 1.00 0.00 C ATOM 182 CG1 VAL A 220 1.268 -0.392 7.160 1.00 0.00 C ATOM 183 CG2 VAL A 220 2.038 -2.773 7.076 1.00 0.00 C ATOM 0 H VAL A 220 4.013 -2.987 8.125 1.00 0.00 H new ATOM 0 HA VAL A 220 3.439 -0.141 8.255 1.00 0.00 H new ATOM 0 HB VAL A 220 1.147 -1.815 8.751 1.00 0.00 H new ATOM 0 HG11 VAL A 220 0.334 -0.706 6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 220 1.077 0.451 7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 220 1.976 -0.093 6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 220 1.085 -3.041 6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 220 2.765 -2.549 6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 220 2.399 -3.607 7.679 1.00 0.00 H new ATOM 193 N GLY A 221 3.298 0.082 10.729 1.00 0.00 N ATOM 194 CA GLY A 221 3.176 0.247 12.165 1.00 0.00 C ATOM 195 C GLY A 221 4.430 -0.183 12.909 1.00 0.00 C ATOM 196 O GLY A 221 4.533 0.004 14.120 1.00 0.00 O ATOM 0 H GLY A 221 3.625 0.909 10.230 1.00 0.00 H new ATOM 0 HA2 GLY A 221 2.964 1.292 12.391 1.00 0.00 H new ATOM 0 HA3 GLY A 221 2.327 -0.335 12.524 1.00 0.00 H new ATOM 200 N GLY A 222 5.386 -0.763 12.182 1.00 0.00 N ATOM 201 CA GLY A 222 6.624 -1.211 12.798 1.00 0.00 C ATOM 202 C GLY A 222 6.553 -2.647 13.281 1.00 0.00 C ATOM 203 O GLY A 222 7.575 -3.323 13.386 1.00 0.00 O ATOM 0 H GLY A 222 5.324 -0.930 11.178 1.00 0.00 H new ATOM 0 HA2 GLY A 222 7.438 -1.114 12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 222 6.862 -0.561 13.640 1.00 0.00 H new ATOM 207 N THR A 223 5.345 -3.112 13.575 1.00 0.00 N ATOM 208 CA THR A 223 5.145 -4.475 14.049 1.00 0.00 C ATOM 209 C THR A 223 4.654 -5.376 12.923 1.00 0.00 C ATOM 210 O THR A 223 4.888 -6.585 12.935 1.00 0.00 O ATOM 211 CB THR A 223 4.142 -4.485 15.202 1.00 0.00 C ATOM 212 OG1 THR A 223 2.977 -3.754 14.858 1.00 0.00 O ATOM 213 CG2 THR A 223 4.699 -3.891 16.476 1.00 0.00 C ATOM 0 H THR A 223 4.488 -2.564 13.493 1.00 0.00 H new ATOM 0 HA THR A 223 6.102 -4.859 14.402 1.00 0.00 H new ATOM 0 HB THR A 223 3.909 -5.535 15.379 1.00 0.00 H new ATOM 0 HG1 THR A 223 2.346 -3.773 15.607 1.00 0.00 H new ATOM 0 HG21 THR A 223 3.939 -3.927 17.257 1.00 0.00 H new ATOM 0 HG22 THR A 223 5.572 -4.462 16.792 1.00 0.00 H new ATOM 0 HG23 THR A 223 4.988 -2.855 16.298 1.00 0.00 H new ATOM 221 N LYS A 224 3.968 -4.781 11.953 1.00 0.00 N ATOM 222 CA LYS A 224 3.442 -5.532 10.820 1.00 0.00 C ATOM 223 C LYS A 224 4.351 -5.377 9.605 1.00 0.00 C ATOM 224 O LYS A 224 4.975 -4.334 9.418 1.00 0.00 O ATOM 225 CB LYS A 224 2.025 -5.056 10.477 1.00 0.00 C ATOM 226 CG LYS A 224 1.203 -4.633 11.688 1.00 0.00 C ATOM 227 CD LYS A 224 0.526 -5.822 12.351 1.00 0.00 C ATOM 228 CE LYS A 224 1.543 -6.823 12.876 1.00 0.00 C ATOM 229 NZ LYS A 224 0.977 -7.666 13.966 1.00 0.00 N ATOM 0 H LYS A 224 3.764 -3.782 11.929 1.00 0.00 H new ATOM 0 HA LYS A 224 3.405 -6.586 11.096 1.00 0.00 H new ATOM 0 HB2 LYS A 224 2.092 -4.216 9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 224 1.500 -5.857 9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 224 1.849 -4.133 12.410 1.00 0.00 H new ATOM 0 HG3 LYS A 224 0.448 -3.909 11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -0.100 -5.474 13.172 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -0.132 -6.313 11.634 1.00 0.00 H new ATOM 0 HE2 LYS A 224 1.879 -7.462 12.059 1.00 0.00 H new ATOM 0 HE3 LYS A 224 2.419 -6.291 13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 1.700 -8.336 14.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 0.679 -7.058 14.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 0.156 -8.193 13.606 1.00 0.00 H new ATOM 243 N ALA A 225 4.425 -6.418 8.781 1.00 0.00 N ATOM 244 CA ALA A 225 5.261 -6.388 7.586 1.00 0.00 C ATOM 245 C ALA A 225 4.429 -6.601 6.331 1.00 0.00 C ATOM 246 O ALA A 225 3.438 -7.329 6.348 1.00 0.00 O ATOM 247 CB ALA A 225 6.355 -7.440 7.670 1.00 0.00 C ATOM 0 H ALA A 225 3.917 -7.292 8.919 1.00 0.00 H new ATOM 0 HA ALA A 225 5.724 -5.403 7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 225 6.967 -7.401 6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 225 6.980 -7.246 8.542 1.00 0.00 H new ATOM 0 HB3 ALA A 225 5.904 -8.428 7.759 1.00 0.00 H new ATOM 253 N GLY A 226 4.840 -5.962 5.240 1.00 0.00 N ATOM 254 CA GLY A 226 4.121 -6.100 3.991 1.00 0.00 C ATOM 255 C GLY A 226 4.776 -5.343 2.853 1.00 0.00 C ATOM 256 O GLY A 226 5.917 -4.897 2.968 1.00 0.00 O ATOM 0 H GLY A 226 5.657 -5.353 5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 226 4.055 -7.156 3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 226 3.101 -5.740 4.122 1.00 0.00 H new ATOM 260 N VAL A 227 4.049 -5.202 1.749 1.00 0.00 N ATOM 261 CA VAL A 227 4.558 -4.497 0.580 1.00 0.00 C ATOM 262 C VAL A 227 3.679 -3.299 0.238 1.00 0.00 C ATOM 263 O VAL A 227 2.454 -3.406 0.210 1.00 0.00 O ATOM 264 CB VAL A 227 4.640 -5.434 -0.645 1.00 0.00 C ATOM 265 CG1 VAL A 227 4.970 -4.654 -1.908 1.00 0.00 C ATOM 266 CG2 VAL A 227 5.665 -6.532 -0.406 1.00 0.00 C ATOM 0 H VAL A 227 3.103 -5.568 1.640 1.00 0.00 H new ATOM 0 HA VAL A 227 5.560 -4.147 0.827 1.00 0.00 H new ATOM 0 HB VAL A 227 3.663 -5.898 -0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 227 5.022 -5.338 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 227 4.194 -3.910 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 227 5.931 -4.154 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 227 5.710 -7.184 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 227 6.644 -6.085 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.376 -7.116 0.468 1.00 0.00 H new ATOM 276 N VAL A 228 4.310 -2.163 -0.034 1.00 0.00 N ATOM 277 CA VAL A 228 3.581 -0.954 -0.386 1.00 0.00 C ATOM 278 C VAL A 228 2.798 -1.159 -1.677 1.00 0.00 C ATOM 279 O VAL A 228 3.354 -1.577 -2.691 1.00 0.00 O ATOM 280 CB VAL A 228 4.531 0.244 -0.552 1.00 0.00 C ATOM 281 CG1 VAL A 228 3.745 1.533 -0.743 1.00 0.00 C ATOM 282 CG2 VAL A 228 5.462 0.347 0.647 1.00 0.00 C ATOM 0 H VAL A 228 5.324 -2.055 -0.017 1.00 0.00 H new ATOM 0 HA VAL A 228 2.890 -0.741 0.429 1.00 0.00 H new ATOM 0 HB VAL A 228 5.136 0.087 -1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 228 4.437 2.367 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 228 3.123 1.451 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 228 3.111 1.705 0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 228 6.129 1.199 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 228 4.873 0.482 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 228 6.051 -0.566 0.730 1.00 0.00 H new ATOM 292 N ARG A 229 1.499 -0.879 -1.631 1.00 0.00 N ATOM 293 CA ARG A 229 0.643 -1.052 -2.800 1.00 0.00 C ATOM 294 C ARG A 229 0.113 0.286 -3.308 1.00 0.00 C ATOM 295 O ARG A 229 0.122 0.548 -4.511 1.00 0.00 O ATOM 296 CB ARG A 229 -0.521 -1.985 -2.459 1.00 0.00 C ATOM 297 CG ARG A 229 -0.113 -3.188 -1.625 1.00 0.00 C ATOM 298 CD ARG A 229 0.952 -4.016 -2.324 1.00 0.00 C ATOM 299 NE ARG A 229 0.372 -5.113 -3.095 1.00 0.00 N ATOM 300 CZ ARG A 229 -0.024 -5.008 -4.362 1.00 0.00 C ATOM 301 NH1 ARG A 229 0.091 -3.855 -5.011 1.00 0.00 N ATOM 302 NH2 ARG A 229 -0.537 -6.060 -4.983 1.00 0.00 N ATOM 0 H ARG A 229 1.018 -0.533 -0.801 1.00 0.00 H new ATOM 0 HA ARG A 229 1.243 -1.495 -3.595 1.00 0.00 H new ATOM 0 HB2 ARG A 229 -1.282 -1.421 -1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 229 -0.979 -2.334 -3.385 1.00 0.00 H new ATOM 0 HG2 ARG A 229 0.263 -2.851 -0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 229 -0.987 -3.809 -1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 229 1.533 -3.375 -2.986 1.00 0.00 H new ATOM 0 HD3 ARG A 229 1.643 -4.419 -1.583 1.00 0.00 H new ATOM 0 HE ARG A 229 0.264 -6.016 -2.634 1.00 0.00 H new ATOM 0 HH11 ARG A 229 0.485 -3.041 -4.539 1.00 0.00 H new ATOM 0 HH12 ARG A 229 -0.215 -3.783 -5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 229 -0.628 -6.949 -4.491 1.00 0.00 H new ATOM 0 HH22 ARG A 229 -0.841 -5.981 -5.954 1.00 0.00 H new ATOM 316 N PHE A 230 -0.349 1.128 -2.391 1.00 0.00 N ATOM 317 CA PHE A 230 -0.882 2.436 -2.757 1.00 0.00 C ATOM 318 C PHE A 230 -0.608 3.459 -1.662 1.00 0.00 C ATOM 319 O PHE A 230 -0.827 3.191 -0.486 1.00 0.00 O ATOM 320 CB PHE A 230 -2.387 2.340 -3.018 1.00 0.00 C ATOM 321 CG PHE A 230 -2.934 3.492 -3.812 1.00 0.00 C ATOM 322 CD1 PHE A 230 -2.848 3.498 -5.195 1.00 0.00 C ATOM 323 CD2 PHE A 230 -3.534 4.567 -3.176 1.00 0.00 C ATOM 324 CE1 PHE A 230 -3.351 4.558 -5.929 1.00 0.00 C ATOM 325 CE2 PHE A 230 -4.039 5.627 -3.904 1.00 0.00 C ATOM 326 CZ PHE A 230 -3.948 5.622 -5.282 1.00 0.00 C ATOM 0 H PHE A 230 -0.366 0.930 -1.391 1.00 0.00 H new ATOM 0 HA PHE A 230 -0.382 2.764 -3.668 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -2.597 1.411 -3.549 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -2.910 2.287 -2.063 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -2.384 2.667 -5.705 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -3.608 4.576 -2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -3.277 4.553 -7.006 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -4.504 6.459 -3.396 1.00 0.00 H new ATOM 0 HZ PHE A 230 -4.343 6.449 -5.853 1.00 0.00 H new ATOM 336 N LEU A 231 -0.134 4.637 -2.056 1.00 0.00 N ATOM 337 CA LEU A 231 0.164 5.695 -1.096 1.00 0.00 C ATOM 338 C LEU A 231 -0.703 6.922 -1.349 1.00 0.00 C ATOM 339 O LEU A 231 -0.762 7.436 -2.466 1.00 0.00 O ATOM 340 CB LEU A 231 1.645 6.078 -1.165 1.00 0.00 C ATOM 341 CG LEU A 231 2.623 4.900 -1.114 1.00 0.00 C ATOM 342 CD1 LEU A 231 3.333 4.733 -2.448 1.00 0.00 C ATOM 343 CD2 LEU A 231 3.634 5.093 0.008 1.00 0.00 C ATOM 0 H LEU A 231 0.051 4.883 -3.028 1.00 0.00 H new ATOM 0 HA LEU A 231 -0.059 5.316 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 231 1.818 6.634 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 231 1.869 6.752 -0.338 1.00 0.00 H new ATOM 0 HG LEU A 231 2.054 3.992 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 231 4.023 3.891 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 231 2.598 4.546 -3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 231 3.888 5.642 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 231 4.320 4.247 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 231 4.196 6.011 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 231 3.111 5.159 0.962 1.00 0.00 H new ATOM 355 N GLY A 232 -1.379 7.386 -0.302 1.00 0.00 N ATOM 356 CA GLY A 232 -2.238 8.549 -0.428 1.00 0.00 C ATOM 357 C GLY A 232 -3.126 8.745 0.785 1.00 0.00 C ATOM 358 O GLY A 232 -2.998 8.031 1.779 1.00 0.00 O ATOM 0 H GLY A 232 -1.347 6.977 0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 232 -1.623 9.437 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 232 -2.860 8.444 -1.317 1.00 0.00 H new ATOM 362 N GLU A 233 -4.030 9.715 0.703 1.00 0.00 N ATOM 363 CA GLU A 233 -4.942 10.002 1.804 1.00 0.00 C ATOM 364 C GLU A 233 -6.104 9.012 1.818 1.00 0.00 C ATOM 365 O GLU A 233 -6.375 8.345 0.820 1.00 0.00 O ATOM 366 CB GLU A 233 -5.476 11.431 1.694 1.00 0.00 C ATOM 367 CG GLU A 233 -4.390 12.468 1.451 1.00 0.00 C ATOM 368 CD GLU A 233 -4.653 13.315 0.221 1.00 0.00 C ATOM 369 OE1 GLU A 233 -5.839 13.562 -0.086 1.00 0.00 O ATOM 370 OE2 GLU A 233 -3.675 13.730 -0.435 1.00 0.00 O ATOM 0 H GLU A 233 -4.151 10.315 -0.113 1.00 0.00 H new ATOM 0 HA GLU A 233 -4.389 9.900 2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -6.201 11.478 0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -6.009 11.683 2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -4.311 13.117 2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -3.430 11.964 1.341 1.00 0.00 H new ATOM 377 N THR A 234 -6.785 8.923 2.955 1.00 0.00 N ATOM 378 CA THR A 234 -7.915 8.013 3.098 1.00 0.00 C ATOM 379 C THR A 234 -9.230 8.783 3.160 1.00 0.00 C ATOM 380 O THR A 234 -9.242 9.991 3.394 1.00 0.00 O ATOM 381 CB THR A 234 -7.756 7.158 4.356 1.00 0.00 C ATOM 382 OG1 THR A 234 -7.932 7.944 5.521 1.00 0.00 O ATOM 383 CG2 THR A 234 -6.403 6.487 4.454 1.00 0.00 C ATOM 0 H THR A 234 -6.574 9.469 3.790 1.00 0.00 H new ATOM 0 HA THR A 234 -7.934 7.362 2.224 1.00 0.00 H new ATOM 0 HB THR A 234 -8.522 6.386 4.282 1.00 0.00 H new ATOM 0 HG1 THR A 234 -7.747 8.884 5.313 1.00 0.00 H new ATOM 0 HG21 THR A 234 -6.355 5.896 5.369 1.00 0.00 H new ATOM 0 HG22 THR A 234 -6.257 5.835 3.593 1.00 0.00 H new ATOM 0 HG23 THR A 234 -5.621 7.246 4.471 1.00 0.00 H new ATOM 391 N ASP A 235 -10.334 8.075 2.949 1.00 0.00 N ATOM 392 CA ASP A 235 -11.656 8.691 2.981 1.00 0.00 C ATOM 393 C ASP A 235 -12.222 8.720 4.401 1.00 0.00 C ATOM 394 O ASP A 235 -13.291 9.284 4.637 1.00 0.00 O ATOM 395 CB ASP A 235 -12.613 7.938 2.056 1.00 0.00 C ATOM 396 CG ASP A 235 -12.539 8.430 0.623 1.00 0.00 C ATOM 397 OD1 ASP A 235 -13.164 9.467 0.320 1.00 0.00 O ATOM 398 OD2 ASP A 235 -11.857 7.777 -0.194 1.00 0.00 O ATOM 0 H ASP A 235 -10.340 7.074 2.754 1.00 0.00 H new ATOM 0 HA ASP A 235 -11.553 9.719 2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 235 -12.379 6.874 2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 235 -13.633 8.050 2.424 1.00 0.00 H new ATOM 403 N PHE A 236 -11.506 8.115 5.344 1.00 0.00 N ATOM 404 CA PHE A 236 -11.950 8.081 6.735 1.00 0.00 C ATOM 405 C PHE A 236 -10.921 8.725 7.667 1.00 0.00 C ATOM 406 O PHE A 236 -11.236 9.069 8.806 1.00 0.00 O ATOM 407 CB PHE A 236 -12.227 6.635 7.172 1.00 0.00 C ATOM 408 CG PHE A 236 -10.995 5.862 7.562 1.00 0.00 C ATOM 409 CD1 PHE A 236 -9.979 5.635 6.646 1.00 0.00 C ATOM 410 CD2 PHE A 236 -10.854 5.367 8.849 1.00 0.00 C ATOM 411 CE1 PHE A 236 -8.848 4.926 7.007 1.00 0.00 C ATOM 412 CE2 PHE A 236 -9.726 4.658 9.214 1.00 0.00 C ATOM 413 CZ PHE A 236 -8.721 4.438 8.292 1.00 0.00 C ATOM 0 H PHE A 236 -10.618 7.643 5.172 1.00 0.00 H new ATOM 0 HA PHE A 236 -12.873 8.658 6.803 1.00 0.00 H new ATOM 0 HB2 PHE A 236 -12.917 6.648 8.016 1.00 0.00 H new ATOM 0 HB3 PHE A 236 -12.729 6.111 6.358 1.00 0.00 H new ATOM 0 HD1 PHE A 236 -10.072 6.016 5.640 1.00 0.00 H new ATOM 0 HD2 PHE A 236 -11.635 5.538 9.575 1.00 0.00 H new ATOM 0 HE1 PHE A 236 -8.064 4.754 6.284 1.00 0.00 H new ATOM 0 HE2 PHE A 236 -9.630 4.276 10.220 1.00 0.00 H new ATOM 0 HZ PHE A 236 -7.838 3.885 8.576 1.00 0.00 H new ATOM 423 N ALA A 237 -9.693 8.883 7.180 1.00 0.00 N ATOM 424 CA ALA A 237 -8.630 9.482 7.978 1.00 0.00 C ATOM 425 C ALA A 237 -8.079 10.737 7.309 1.00 0.00 C ATOM 426 O ALA A 237 -7.898 10.775 6.093 1.00 0.00 O ATOM 427 CB ALA A 237 -7.516 8.475 8.212 1.00 0.00 C ATOM 0 H ALA A 237 -9.411 8.605 6.240 1.00 0.00 H new ATOM 0 HA ALA A 237 -9.052 9.772 8.940 1.00 0.00 H new ATOM 0 HB1 ALA A 237 -6.729 8.935 8.809 1.00 0.00 H new ATOM 0 HB2 ALA A 237 -7.914 7.609 8.741 1.00 0.00 H new ATOM 0 HB3 ALA A 237 -7.105 8.157 7.254 1.00 0.00 H new ATOM 433 N LYS A 238 -7.813 11.761 8.113 1.00 0.00 N ATOM 434 CA LYS A 238 -7.280 13.017 7.600 1.00 0.00 C ATOM 435 C LYS A 238 -5.755 12.989 7.566 1.00 0.00 C ATOM 436 O LYS A 238 -5.111 12.585 8.536 1.00 0.00 O ATOM 437 CB LYS A 238 -7.760 14.189 8.459 1.00 0.00 C ATOM 438 CG LYS A 238 -9.258 14.177 8.722 1.00 0.00 C ATOM 439 CD LYS A 238 -9.682 15.363 9.573 1.00 0.00 C ATOM 440 CE LYS A 238 -9.824 14.977 11.036 1.00 0.00 C ATOM 441 NZ LYS A 238 -10.687 15.934 11.782 1.00 0.00 N ATOM 0 H LYS A 238 -7.958 11.745 9.123 1.00 0.00 H new ATOM 0 HA LYS A 238 -7.646 13.147 6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -7.232 14.170 9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -7.494 15.124 7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -9.795 14.197 7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -9.533 13.250 9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -8.947 16.162 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -10.630 15.755 9.206 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -10.247 13.975 11.108 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -8.838 14.940 11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -10.758 15.635 12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -10.270 16.886 11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -11.636 15.950 11.356 1.00 0.00 H new ATOM 455 N GLY A 239 -5.183 13.419 6.447 1.00 0.00 N ATOM 456 CA GLY A 239 -3.738 13.434 6.309 1.00 0.00 C ATOM 457 C GLY A 239 -3.245 12.469 5.248 1.00 0.00 C ATOM 458 O GLY A 239 -4.027 11.974 4.439 1.00 0.00 O ATOM 0 H GLY A 239 -5.694 13.758 5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 239 -3.411 14.443 6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 239 -3.282 13.180 7.266 1.00 0.00 H new ATOM 462 N GLU A 240 -1.942 12.205 5.254 1.00 0.00 N ATOM 463 CA GLU A 240 -1.343 11.294 4.285 1.00 0.00 C ATOM 464 C GLU A 240 -1.225 9.887 4.860 1.00 0.00 C ATOM 465 O GLU A 240 -0.734 9.699 5.974 1.00 0.00 O ATOM 466 CB GLU A 240 0.036 11.802 3.862 1.00 0.00 C ATOM 467 CG GLU A 240 1.007 11.963 5.021 1.00 0.00 C ATOM 468 CD GLU A 240 2.408 12.319 4.563 1.00 0.00 C ATOM 469 OE1 GLU A 240 2.548 12.867 3.449 1.00 0.00 O ATOM 470 OE2 GLU A 240 3.365 12.049 5.319 1.00 0.00 O ATOM 0 H GLU A 240 -1.282 12.609 5.918 1.00 0.00 H new ATOM 0 HA GLU A 240 -1.993 11.255 3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 240 0.462 11.110 3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 240 -0.078 12.762 3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 240 0.640 12.739 5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 240 1.040 11.036 5.594 1.00 0.00 H new ATOM 477 N TRP A 241 -1.678 8.899 4.094 1.00 0.00 N ATOM 478 CA TRP A 241 -1.624 7.509 4.528 1.00 0.00 C ATOM 479 C TRP A 241 -0.985 6.630 3.457 1.00 0.00 C ATOM 480 O TRP A 241 -0.776 7.067 2.325 1.00 0.00 O ATOM 481 CB TRP A 241 -3.030 7.000 4.853 1.00 0.00 C ATOM 482 CG TRP A 241 -3.628 7.643 6.065 1.00 0.00 C ATOM 483 CD1 TRP A 241 -4.105 8.919 6.164 1.00 0.00 C ATOM 484 CD2 TRP A 241 -3.808 7.045 7.352 1.00 0.00 C ATOM 485 NE1 TRP A 241 -4.572 9.150 7.434 1.00 0.00 N ATOM 486 CE2 TRP A 241 -4.402 8.014 8.183 1.00 0.00 C ATOM 487 CE3 TRP A 241 -3.528 5.783 7.884 1.00 0.00 C ATOM 488 CZ2 TRP A 241 -4.718 7.760 9.516 1.00 0.00 C ATOM 489 CZ3 TRP A 241 -3.842 5.533 9.206 1.00 0.00 C ATOM 490 CH2 TRP A 241 -4.432 6.516 10.010 1.00 0.00 C ATOM 0 H TRP A 241 -2.086 9.036 3.170 1.00 0.00 H new ATOM 0 HA TRP A 241 -1.010 7.457 5.427 1.00 0.00 H new ATOM 0 HB2 TRP A 241 -3.680 7.179 3.997 1.00 0.00 H new ATOM 0 HB3 TRP A 241 -2.992 5.921 5.004 1.00 0.00 H new ATOM 0 HD1 TRP A 241 -4.114 9.641 5.361 1.00 0.00 H new ATOM 0 HE1 TRP A 241 -4.979 10.024 7.766 1.00 0.00 H new ATOM 0 HE3 TRP A 241 -3.074 5.017 7.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 241 -5.172 8.518 10.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 241 -3.628 4.562 9.627 1.00 0.00 H new ATOM 0 HH2 TRP A 241 -4.666 6.288 11.039 1.00 0.00 H new ATOM 501 N CYS A 242 -0.676 5.389 3.821 1.00 0.00 N ATOM 502 CA CYS A 242 -0.062 4.453 2.887 1.00 0.00 C ATOM 503 C CYS A 242 -0.699 3.070 2.999 1.00 0.00 C ATOM 504 O CYS A 242 -1.260 2.713 4.035 1.00 0.00 O ATOM 505 CB CYS A 242 1.446 4.361 3.140 1.00 0.00 C ATOM 506 SG CYS A 242 2.300 3.134 2.121 1.00 0.00 S ATOM 0 H CYS A 242 -0.840 5.010 4.753 1.00 0.00 H new ATOM 0 HA CYS A 242 -0.230 4.825 1.876 1.00 0.00 H new ATOM 0 HB2 CYS A 242 1.893 5.339 2.961 1.00 0.00 H new ATOM 0 HB3 CYS A 242 1.612 4.122 4.191 1.00 0.00 H new ATOM 0 HG CYS A 242 3.568 3.137 2.410 1.00 0.00 H new ATOM 512 N GLY A 243 -0.603 2.301 1.921 1.00 0.00 N ATOM 513 CA GLY A 243 -1.167 0.965 1.899 1.00 0.00 C ATOM 514 C GLY A 243 -0.104 -0.101 1.739 1.00 0.00 C ATOM 515 O GLY A 243 0.697 -0.052 0.805 1.00 0.00 O ATOM 0 H GLY A 243 -0.141 2.582 1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -1.719 0.790 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -1.883 0.888 1.081 1.00 0.00 H new ATOM 519 N VAL A 244 -0.092 -1.063 2.653 1.00 0.00 N ATOM 520 CA VAL A 244 0.888 -2.140 2.608 1.00 0.00 C ATOM 521 C VAL A 244 0.208 -3.502 2.695 1.00 0.00 C ATOM 522 O VAL A 244 -0.644 -3.728 3.554 1.00 0.00 O ATOM 523 CB VAL A 244 1.911 -2.023 3.758 1.00 0.00 C ATOM 524 CG1 VAL A 244 3.127 -2.892 3.489 1.00 0.00 C ATOM 525 CG2 VAL A 244 2.324 -0.573 3.974 1.00 0.00 C ATOM 0 H VAL A 244 -0.748 -1.119 3.432 1.00 0.00 H new ATOM 0 HA VAL A 244 1.410 -2.051 1.655 1.00 0.00 H new ATOM 0 HB VAL A 244 1.433 -2.379 4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 244 3.834 -2.793 4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 244 2.817 -3.933 3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 244 3.604 -2.574 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 244 3.045 -0.518 4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 244 2.777 -0.184 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 244 1.446 0.022 4.225 1.00 0.00 H new ATOM 535 N GLU A 245 0.600 -4.411 1.809 1.00 0.00 N ATOM 536 CA GLU A 245 0.039 -5.755 1.795 1.00 0.00 C ATOM 537 C GLU A 245 0.775 -6.632 2.798 1.00 0.00 C ATOM 538 O GLU A 245 1.953 -6.938 2.622 1.00 0.00 O ATOM 539 CB GLU A 245 0.135 -6.361 0.395 1.00 0.00 C ATOM 540 CG GLU A 245 -0.468 -7.753 0.291 1.00 0.00 C ATOM 541 CD GLU A 245 -0.834 -8.125 -1.132 1.00 0.00 C ATOM 542 OE1 GLU A 245 -0.185 -7.609 -2.067 1.00 0.00 O ATOM 543 OE2 GLU A 245 -1.770 -8.932 -1.313 1.00 0.00 O ATOM 0 H GLU A 245 1.304 -4.240 1.091 1.00 0.00 H new ATOM 0 HA GLU A 245 -1.013 -5.699 2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -0.369 -5.702 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 245 1.183 -6.405 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 245 0.241 -8.482 0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -1.359 -7.807 0.917 1.00 0.00 H new ATOM 550 N LEU A 246 0.079 -7.019 3.861 1.00 0.00 N ATOM 551 CA LEU A 246 0.680 -7.841 4.900 1.00 0.00 C ATOM 552 C LEU A 246 1.006 -9.240 4.389 1.00 0.00 C ATOM 553 O LEU A 246 0.258 -9.816 3.598 1.00 0.00 O ATOM 554 CB LEU A 246 -0.254 -7.931 6.109 1.00 0.00 C ATOM 555 CG LEU A 246 -0.717 -6.584 6.669 1.00 0.00 C ATOM 556 CD1 LEU A 246 -1.684 -6.790 7.822 1.00 0.00 C ATOM 557 CD2 LEU A 246 0.478 -5.756 7.116 1.00 0.00 C ATOM 0 H LEU A 246 -0.898 -6.777 4.024 1.00 0.00 H new ATOM 0 HA LEU A 246 1.614 -7.366 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -1.132 -8.512 5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 246 0.253 -8.482 6.901 1.00 0.00 H new ATOM 0 HG LEU A 246 -1.236 -6.042 5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -2.002 -5.821 8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -2.554 -7.345 7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -1.190 -7.351 8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 246 0.132 -4.801 7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 246 1.024 -6.294 7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 246 1.136 -5.579 6.266 1.00 0.00 H new ATOM 569 N ASP A 247 2.133 -9.772 4.848 1.00 0.00 N ATOM 570 CA ASP A 247 2.578 -11.102 4.445 1.00 0.00 C ATOM 571 C ASP A 247 1.661 -12.182 5.014 1.00 0.00 C ATOM 572 O ASP A 247 1.538 -13.265 4.444 1.00 0.00 O ATOM 573 CB ASP A 247 4.015 -11.335 4.915 1.00 0.00 C ATOM 574 CG ASP A 247 4.929 -10.172 4.582 1.00 0.00 C ATOM 575 OD1 ASP A 247 4.761 -9.092 5.187 1.00 0.00 O ATOM 576 OD2 ASP A 247 5.814 -10.341 3.717 1.00 0.00 O ATOM 0 H ASP A 247 2.758 -9.301 5.502 1.00 0.00 H new ATOM 0 HA ASP A 247 2.540 -11.161 3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 247 4.020 -11.500 5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 247 4.403 -12.242 4.452 1.00 0.00 H new ATOM 581 N GLU A 248 1.020 -11.878 6.138 1.00 0.00 N ATOM 582 CA GLU A 248 0.114 -12.822 6.782 1.00 0.00 C ATOM 583 C GLU A 248 -1.175 -12.124 7.213 1.00 0.00 C ATOM 584 O GLU A 248 -1.258 -10.897 7.193 1.00 0.00 O ATOM 585 CB GLU A 248 0.797 -13.465 7.994 1.00 0.00 C ATOM 586 CG GLU A 248 1.261 -14.890 7.744 1.00 0.00 C ATOM 587 CD GLU A 248 2.732 -15.089 8.057 1.00 0.00 C ATOM 588 OE1 GLU A 248 3.540 -14.209 7.697 1.00 0.00 O ATOM 589 OE2 GLU A 248 3.074 -16.126 8.664 1.00 0.00 O ATOM 0 H GLU A 248 1.111 -10.985 6.622 1.00 0.00 H new ATOM 0 HA GLU A 248 -0.140 -13.601 6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 248 1.655 -12.857 8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 248 0.105 -13.459 8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 248 0.668 -15.573 8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 248 1.077 -15.150 6.702 1.00 0.00 H new ATOM 596 N PRO A 249 -2.200 -12.900 7.612 1.00 0.00 N ATOM 597 CA PRO A 249 -3.485 -12.342 8.049 1.00 0.00 C ATOM 598 C PRO A 249 -3.358 -11.553 9.350 1.00 0.00 C ATOM 599 O PRO A 249 -3.853 -11.974 10.395 1.00 0.00 O ATOM 600 CB PRO A 249 -4.366 -13.578 8.253 1.00 0.00 C ATOM 601 CG PRO A 249 -3.409 -14.695 8.487 1.00 0.00 C ATOM 602 CD PRO A 249 -2.190 -14.372 7.669 1.00 0.00 C ATOM 0 HA PRO A 249 -3.889 -11.635 7.324 1.00 0.00 H new ATOM 0 HB2 PRO A 249 -5.038 -13.449 9.102 1.00 0.00 H new ATOM 0 HB3 PRO A 249 -4.989 -13.768 7.379 1.00 0.00 H new ATOM 0 HG2 PRO A 249 -3.159 -14.780 9.544 1.00 0.00 H new ATOM 0 HG3 PRO A 249 -3.841 -15.649 8.184 1.00 0.00 H new ATOM 0 HD2 PRO A 249 -1.281 -14.750 8.136 1.00 0.00 H new ATOM 0 HD3 PRO A 249 -2.245 -14.813 6.674 1.00 0.00 H new ATOM 610 N LEU A 250 -2.686 -10.410 9.275 1.00 0.00 N ATOM 611 CA LEU A 250 -2.486 -9.559 10.442 1.00 0.00 C ATOM 612 C LEU A 250 -2.956 -8.133 10.169 1.00 0.00 C ATOM 613 O LEU A 250 -2.444 -7.179 10.756 1.00 0.00 O ATOM 614 CB LEU A 250 -1.012 -9.555 10.849 1.00 0.00 C ATOM 615 CG LEU A 250 -0.017 -9.531 9.683 1.00 0.00 C ATOM 616 CD1 LEU A 250 1.014 -8.431 9.877 1.00 0.00 C ATOM 617 CD2 LEU A 250 0.668 -10.881 9.540 1.00 0.00 C ATOM 0 H LEU A 250 -2.270 -10.051 8.416 1.00 0.00 H new ATOM 0 HA LEU A 250 -3.081 -9.964 11.260 1.00 0.00 H new ATOM 0 HB2 LEU A 250 -0.828 -8.687 11.482 1.00 0.00 H new ATOM 0 HB3 LEU A 250 -0.816 -10.439 11.456 1.00 0.00 H new ATOM 0 HG LEU A 250 -0.570 -9.324 8.767 1.00 0.00 H new ATOM 0 HD11 LEU A 250 1.710 -8.432 9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.511 -7.466 9.929 1.00 0.00 H new ATOM 0 HD13 LEU A 250 1.562 -8.605 10.803 1.00 0.00 H new ATOM 0 HD21 LEU A 250 1.371 -10.846 8.708 1.00 0.00 H new ATOM 0 HD22 LEU A 250 1.205 -11.116 10.459 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -0.080 -11.651 9.351 1.00 0.00 H new ATOM 629 N GLY A 251 -3.931 -7.994 9.277 1.00 0.00 N ATOM 630 CA GLY A 251 -4.450 -6.679 8.947 1.00 0.00 C ATOM 631 C GLY A 251 -5.870 -6.477 9.437 1.00 0.00 C ATOM 632 O GLY A 251 -6.374 -7.263 10.241 1.00 0.00 O ATOM 0 H GLY A 251 -4.371 -8.767 8.777 1.00 0.00 H new ATOM 0 HA2 GLY A 251 -3.806 -5.917 9.385 1.00 0.00 H new ATOM 0 HA3 GLY A 251 -4.418 -6.540 7.866 1.00 0.00 H new ATOM 636 N LYS A 252 -6.518 -5.419 8.957 1.00 0.00 N ATOM 637 CA LYS A 252 -7.888 -5.118 9.360 1.00 0.00 C ATOM 638 C LYS A 252 -8.835 -5.146 8.162 1.00 0.00 C ATOM 639 O LYS A 252 -9.997 -5.532 8.288 1.00 0.00 O ATOM 640 CB LYS A 252 -7.953 -3.748 10.038 1.00 0.00 C ATOM 641 CG LYS A 252 -6.790 -3.474 10.977 1.00 0.00 C ATOM 642 CD LYS A 252 -6.817 -4.399 12.184 1.00 0.00 C ATOM 643 CE LYS A 252 -5.414 -4.711 12.679 1.00 0.00 C ATOM 644 NZ LYS A 252 -5.315 -6.090 13.233 1.00 0.00 N ATOM 0 H LYS A 252 -6.118 -4.758 8.291 1.00 0.00 H new ATOM 0 HA LYS A 252 -8.204 -5.886 10.066 1.00 0.00 H new ATOM 0 HB2 LYS A 252 -7.979 -2.974 9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 252 -8.885 -3.674 10.598 1.00 0.00 H new ATOM 0 HG2 LYS A 252 -5.850 -3.602 10.440 1.00 0.00 H new ATOM 0 HG3 LYS A 252 -6.828 -2.437 11.311 1.00 0.00 H new ATOM 0 HD2 LYS A 252 -7.392 -3.936 12.986 1.00 0.00 H new ATOM 0 HD3 LYS A 252 -7.326 -5.326 11.921 1.00 0.00 H new ATOM 0 HE2 LYS A 252 -4.706 -4.598 11.858 1.00 0.00 H new ATOM 0 HE3 LYS A 252 -5.131 -3.990 13.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 -4.343 -6.264 13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 -5.972 -6.191 14.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 -5.560 -6.779 12.494 1.00 0.00 H new ATOM 658 N ASN A 253 -8.334 -4.731 7.002 1.00 0.00 N ATOM 659 CA ASN A 253 -9.144 -4.709 5.787 1.00 0.00 C ATOM 660 C ASN A 253 -8.539 -5.599 4.706 1.00 0.00 C ATOM 661 O ASN A 253 -7.423 -6.099 4.849 1.00 0.00 O ATOM 662 CB ASN A 253 -9.280 -3.275 5.267 1.00 0.00 C ATOM 663 CG ASN A 253 -7.954 -2.692 4.818 1.00 0.00 C ATOM 664 OD1 ASN A 253 -7.691 -2.567 3.622 1.00 0.00 O ATOM 665 ND2 ASN A 253 -7.111 -2.333 5.779 1.00 0.00 N ATOM 0 H ASN A 253 -7.375 -4.407 6.877 1.00 0.00 H new ATOM 0 HA ASN A 253 -10.132 -5.096 6.035 1.00 0.00 H new ATOM 0 HB2 ASN A 253 -9.981 -3.259 4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 253 -9.703 -2.646 6.051 1.00 0.00 H new ATOM 0 HD21 ASN A 253 -6.203 -1.935 5.539 1.00 0.00 H new ATOM 0 HD22 ASN A 253 -7.371 -2.455 6.758 1.00 0.00 H new ATOM 672 N ASP A 254 -9.288 -5.793 3.624 1.00 0.00 N ATOM 673 CA ASP A 254 -8.832 -6.623 2.515 1.00 0.00 C ATOM 674 C ASP A 254 -8.370 -5.765 1.339 1.00 0.00 C ATOM 675 O ASP A 254 -8.396 -6.204 0.190 1.00 0.00 O ATOM 676 CB ASP A 254 -9.949 -7.569 2.068 1.00 0.00 C ATOM 677 CG ASP A 254 -11.142 -6.829 1.497 1.00 0.00 C ATOM 678 OD1 ASP A 254 -11.565 -5.825 2.104 1.00 0.00 O ATOM 679 OD2 ASP A 254 -11.654 -7.254 0.439 1.00 0.00 O ATOM 0 H ASP A 254 -10.214 -5.386 3.492 1.00 0.00 H new ATOM 0 HA ASP A 254 -7.982 -7.212 2.861 1.00 0.00 H new ATOM 0 HB2 ASP A 254 -9.559 -8.257 1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 254 -10.272 -8.172 2.917 1.00 0.00 H new ATOM 684 N GLY A 255 -7.944 -4.538 1.634 1.00 0.00 N ATOM 685 CA GLY A 255 -7.479 -3.644 0.589 1.00 0.00 C ATOM 686 C GLY A 255 -8.455 -2.518 0.295 1.00 0.00 C ATOM 687 O GLY A 255 -8.327 -1.826 -0.717 1.00 0.00 O ATOM 0 H GLY A 255 -7.913 -4.149 2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 255 -6.519 -3.218 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 255 -7.308 -4.217 -0.322 1.00 0.00 H new ATOM 691 N ALA A 256 -9.431 -2.328 1.177 1.00 0.00 N ATOM 692 CA ALA A 256 -10.424 -1.276 1.000 1.00 0.00 C ATOM 693 C ALA A 256 -10.717 -0.566 2.317 1.00 0.00 C ATOM 694 O ALA A 256 -10.472 -1.109 3.394 1.00 0.00 O ATOM 695 CB ALA A 256 -11.703 -1.851 0.411 1.00 0.00 C ATOM 0 H ALA A 256 -9.555 -2.888 2.020 1.00 0.00 H new ATOM 0 HA ALA A 256 -10.016 -0.541 0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 256 -12.436 -1.054 0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 256 -11.487 -2.302 -0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 256 -12.104 -2.609 1.083 1.00 0.00 H new ATOM 701 N VAL A 257 -11.239 0.652 2.222 1.00 0.00 N ATOM 702 CA VAL A 257 -11.563 1.441 3.405 1.00 0.00 C ATOM 703 C VAL A 257 -12.892 2.171 3.233 1.00 0.00 C ATOM 704 O VAL A 257 -13.048 2.991 2.328 1.00 0.00 O ATOM 705 CB VAL A 257 -10.458 2.471 3.713 1.00 0.00 C ATOM 706 CG1 VAL A 257 -10.765 3.225 5.000 1.00 0.00 C ATOM 707 CG2 VAL A 257 -9.101 1.787 3.795 1.00 0.00 C ATOM 0 H VAL A 257 -11.447 1.115 1.337 1.00 0.00 H new ATOM 0 HA VAL A 257 -11.641 0.744 4.239 1.00 0.00 H new ATOM 0 HB VAL A 257 -10.427 3.195 2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -9.972 3.946 5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -11.715 3.749 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -10.828 2.520 5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -8.332 2.528 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -9.118 1.038 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -8.879 1.303 2.844 1.00 0.00 H new ATOM 717 N ALA A 258 -13.845 1.867 4.109 1.00 0.00 N ATOM 718 CA ALA A 258 -15.159 2.496 4.058 1.00 0.00 C ATOM 719 C ALA A 258 -15.832 2.263 2.709 1.00 0.00 C ATOM 720 O ALA A 258 -16.666 3.060 2.275 1.00 0.00 O ATOM 721 CB ALA A 258 -15.044 3.985 4.342 1.00 0.00 C ATOM 0 H ALA A 258 -13.731 1.189 4.862 1.00 0.00 H new ATOM 0 HA ALA A 258 -15.781 2.037 4.827 1.00 0.00 H new ATOM 0 HB1 ALA A 258 -16.033 4.441 4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 258 -14.617 4.134 5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 258 -14.399 4.449 3.596 1.00 0.00 H new ATOM 727 N GLY A 259 -15.467 1.169 2.047 1.00 0.00 N ATOM 728 CA GLY A 259 -16.050 0.858 0.755 1.00 0.00 C ATOM 729 C GLY A 259 -15.188 1.324 -0.406 1.00 0.00 C ATOM 730 O GLY A 259 -15.477 1.011 -1.561 1.00 0.00 O ATOM 0 H GLY A 259 -14.779 0.494 2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -16.202 -0.219 0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -17.032 1.325 0.683 1.00 0.00 H new ATOM 734 N THR A 260 -14.129 2.069 -0.104 1.00 0.00 N ATOM 735 CA THR A 260 -13.231 2.573 -1.137 1.00 0.00 C ATOM 736 C THR A 260 -11.967 1.723 -1.218 1.00 0.00 C ATOM 737 O THR A 260 -11.179 1.672 -0.274 1.00 0.00 O ATOM 738 CB THR A 260 -12.861 4.030 -0.854 1.00 0.00 C ATOM 739 OG1 THR A 260 -14.026 4.815 -0.670 1.00 0.00 O ATOM 740 CG2 THR A 260 -12.049 4.666 -1.962 1.00 0.00 C ATOM 0 H THR A 260 -13.872 2.337 0.846 1.00 0.00 H new ATOM 0 HA THR A 260 -13.749 2.516 -2.094 1.00 0.00 H new ATOM 0 HB THR A 260 -12.254 4.005 0.051 1.00 0.00 H new ATOM 0 HG1 THR A 260 -13.770 5.743 -0.488 1.00 0.00 H new ATOM 0 HG21 THR A 260 -11.820 5.699 -1.699 1.00 0.00 H new ATOM 0 HG22 THR A 260 -11.120 4.111 -2.097 1.00 0.00 H new ATOM 0 HG23 THR A 260 -12.621 4.647 -2.890 1.00 0.00 H new ATOM 748 N ARG A 261 -11.779 1.056 -2.353 1.00 0.00 N ATOM 749 CA ARG A 261 -10.611 0.210 -2.558 1.00 0.00 C ATOM 750 C ARG A 261 -9.440 1.024 -3.096 1.00 0.00 C ATOM 751 O ARG A 261 -9.575 1.741 -4.087 1.00 0.00 O ATOM 752 CB ARG A 261 -10.943 -0.929 -3.522 1.00 0.00 C ATOM 753 CG ARG A 261 -9.890 -2.027 -3.553 1.00 0.00 C ATOM 754 CD ARG A 261 -9.978 -2.847 -4.829 1.00 0.00 C ATOM 755 NE ARG A 261 -10.946 -3.939 -4.715 1.00 0.00 N ATOM 756 CZ ARG A 261 -12.244 -3.813 -4.987 1.00 0.00 C ATOM 757 NH1 ARG A 261 -12.739 -2.651 -5.392 1.00 0.00 N ATOM 758 NH2 ARG A 261 -13.049 -4.859 -4.856 1.00 0.00 N ATOM 0 H ARG A 261 -12.422 1.086 -3.144 1.00 0.00 H new ATOM 0 HA ARG A 261 -10.324 -0.212 -1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -11.902 -1.364 -3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -11.061 -0.521 -4.526 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -8.898 -1.583 -3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -10.018 -2.680 -2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -10.260 -2.198 -5.658 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -8.996 -3.257 -5.065 1.00 0.00 H new ATOM 0 HE ARG A 261 -10.606 -4.851 -4.409 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -12.124 -1.844 -5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -13.734 -2.565 -5.598 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -12.674 -5.756 -4.548 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -14.043 -4.766 -5.063 1.00 0.00 H new ATOM 772 N TYR A 262 -8.293 0.911 -2.436 1.00 0.00 N ATOM 773 CA TYR A 262 -7.100 1.643 -2.850 1.00 0.00 C ATOM 774 C TYR A 262 -6.137 0.731 -3.604 1.00 0.00 C ATOM 775 O TYR A 262 -5.424 1.174 -4.504 1.00 0.00 O ATOM 776 CB TYR A 262 -6.403 2.252 -1.632 1.00 0.00 C ATOM 777 CG TYR A 262 -7.187 3.374 -0.987 1.00 0.00 C ATOM 778 CD1 TYR A 262 -8.275 3.104 -0.166 1.00 0.00 C ATOM 779 CD2 TYR A 262 -6.842 4.702 -1.204 1.00 0.00 C ATOM 780 CE1 TYR A 262 -8.996 4.126 0.421 1.00 0.00 C ATOM 781 CE2 TYR A 262 -7.558 5.730 -0.620 1.00 0.00 C ATOM 782 CZ TYR A 262 -8.633 5.436 0.192 1.00 0.00 C ATOM 783 OH TYR A 262 -9.350 6.457 0.774 1.00 0.00 O ATOM 0 H TYR A 262 -8.163 0.321 -1.614 1.00 0.00 H new ATOM 0 HA TYR A 262 -7.408 2.445 -3.520 1.00 0.00 H new ATOM 0 HB2 TYR A 262 -6.229 1.469 -0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 262 -5.425 2.629 -1.933 1.00 0.00 H new ATOM 0 HD1 TYR A 262 -8.562 2.079 0.016 1.00 0.00 H new ATOM 0 HD2 TYR A 262 -6.000 4.935 -1.840 1.00 0.00 H new ATOM 0 HE1 TYR A 262 -9.840 3.900 1.056 1.00 0.00 H new ATOM 0 HE2 TYR A 262 -7.277 6.757 -0.799 1.00 0.00 H new ATOM 0 HH TYR A 262 -10.126 6.672 0.215 1.00 0.00 H new ATOM 793 N PHE A 263 -6.126 -0.544 -3.233 1.00 0.00 N ATOM 794 CA PHE A 263 -5.255 -1.520 -3.879 1.00 0.00 C ATOM 795 C PHE A 263 -5.819 -2.929 -3.732 1.00 0.00 C ATOM 796 O PHE A 263 -6.793 -3.147 -3.011 1.00 0.00 O ATOM 797 CB PHE A 263 -3.844 -1.453 -3.289 1.00 0.00 C ATOM 798 CG PHE A 263 -3.819 -1.365 -1.790 1.00 0.00 C ATOM 799 CD1 PHE A 263 -4.000 -0.150 -1.152 1.00 0.00 C ATOM 800 CD2 PHE A 263 -3.611 -2.498 -1.018 1.00 0.00 C ATOM 801 CE1 PHE A 263 -3.976 -0.064 0.226 1.00 0.00 C ATOM 802 CE2 PHE A 263 -3.584 -2.418 0.360 1.00 0.00 C ATOM 803 CZ PHE A 263 -3.767 -1.199 0.984 1.00 0.00 C ATOM 0 H PHE A 263 -6.710 -0.926 -2.489 1.00 0.00 H new ATOM 0 HA PHE A 263 -5.203 -1.277 -4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 263 -3.287 -2.336 -3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 263 -3.327 -0.587 -3.703 1.00 0.00 H new ATOM 0 HD1 PHE A 263 -4.162 0.742 -1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 263 -3.469 -3.454 -1.500 1.00 0.00 H new ATOM 0 HE1 PHE A 263 -4.121 0.890 0.710 1.00 0.00 H new ATOM 0 HE2 PHE A 263 -3.420 -3.308 0.950 1.00 0.00 H new ATOM 0 HZ PHE A 263 -3.747 -1.134 2.062 1.00 0.00 H new ATOM 813 N GLN A 264 -5.203 -3.884 -4.421 1.00 0.00 N ATOM 814 CA GLN A 264 -5.649 -5.272 -4.368 1.00 0.00 C ATOM 815 C GLN A 264 -4.711 -6.114 -3.510 1.00 0.00 C ATOM 816 O GLN A 264 -3.496 -6.105 -3.706 1.00 0.00 O ATOM 817 CB GLN A 264 -5.733 -5.857 -5.779 1.00 0.00 C ATOM 818 CG GLN A 264 -6.621 -7.086 -5.875 1.00 0.00 C ATOM 819 CD GLN A 264 -8.064 -6.793 -5.512 1.00 0.00 C ATOM 820 OE1 GLN A 264 -8.735 -6.004 -6.177 1.00 0.00 O ATOM 821 NE2 GLN A 264 -8.548 -7.429 -4.451 1.00 0.00 N ATOM 0 H GLN A 264 -4.395 -3.723 -5.022 1.00 0.00 H new ATOM 0 HA GLN A 264 -6.640 -5.291 -3.915 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -6.110 -5.093 -6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -4.730 -6.117 -6.116 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -6.579 -7.482 -6.890 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -6.234 -7.862 -5.214 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -7.955 -8.075 -3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -9.512 -7.272 -4.158 1.00 0.00 H new ATOM 830 N CYS A 265 -5.287 -6.845 -2.561 1.00 0.00 N ATOM 831 CA CYS A 265 -4.507 -7.697 -1.672 1.00 0.00 C ATOM 832 C CYS A 265 -5.356 -8.848 -1.144 1.00 0.00 C ATOM 833 O CYS A 265 -6.586 -8.788 -1.169 1.00 0.00 O ATOM 834 CB CYS A 265 -3.950 -6.880 -0.505 1.00 0.00 C ATOM 835 SG CYS A 265 -5.164 -5.795 0.282 1.00 0.00 S ATOM 0 H CYS A 265 -6.292 -6.864 -2.388 1.00 0.00 H new ATOM 0 HA CYS A 265 -3.676 -8.112 -2.242 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -3.549 -7.563 0.244 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -3.117 -6.276 -0.864 1.00 0.00 H new ATOM 0 HG CYS A 265 -4.704 -4.579 0.312 1.00 0.00 H new ATOM 841 N GLN A 266 -4.694 -9.894 -0.665 1.00 0.00 N ATOM 842 CA GLN A 266 -5.390 -11.059 -0.129 1.00 0.00 C ATOM 843 C GLN A 266 -6.258 -10.669 1.063 1.00 0.00 C ATOM 844 O GLN A 266 -6.109 -9.583 1.622 1.00 0.00 O ATOM 845 CB GLN A 266 -4.385 -12.134 0.288 1.00 0.00 C ATOM 846 CG GLN A 266 -3.884 -12.981 -0.870 1.00 0.00 C ATOM 847 CD GLN A 266 -3.041 -14.156 -0.410 1.00 0.00 C ATOM 848 OE1 GLN A 266 -1.914 -14.343 -0.867 1.00 0.00 O ATOM 849 NE2 GLN A 266 -3.587 -14.955 0.500 1.00 0.00 N ATOM 0 H GLN A 266 -3.677 -9.960 -0.636 1.00 0.00 H new ATOM 0 HA GLN A 266 -6.034 -11.459 -0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 266 -3.534 -11.655 0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 266 -4.849 -12.785 1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 266 -4.736 -13.351 -1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 266 -3.296 -12.358 -1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 266 -4.525 -14.762 0.851 1.00 0.00 H new ATOM 0 HE22 GLN A 266 -3.068 -15.762 0.847 1.00 0.00 H new ATOM 858 N PRO A 267 -7.185 -11.554 1.470 1.00 0.00 N ATOM 859 CA PRO A 267 -8.078 -11.293 2.604 1.00 0.00 C ATOM 860 C PRO A 267 -7.308 -11.063 3.900 1.00 0.00 C ATOM 861 O PRO A 267 -6.438 -11.855 4.264 1.00 0.00 O ATOM 862 CB PRO A 267 -8.923 -12.569 2.703 1.00 0.00 C ATOM 863 CG PRO A 267 -8.804 -13.220 1.368 1.00 0.00 C ATOM 864 CD PRO A 267 -7.436 -12.870 0.862 1.00 0.00 C ATOM 0 HA PRO A 267 -8.670 -10.390 2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -8.557 -13.223 3.494 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -9.962 -12.336 2.937 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -8.927 -14.300 1.448 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -9.576 -12.861 0.688 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -6.692 -13.605 1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -7.408 -12.824 -0.227 1.00 0.00 H new ATOM 872 N LYS A 268 -7.635 -9.977 4.591 1.00 0.00 N ATOM 873 CA LYS A 268 -6.973 -9.640 5.848 1.00 0.00 C ATOM 874 C LYS A 268 -5.477 -9.404 5.644 1.00 0.00 C ATOM 875 O LYS A 268 -4.697 -9.474 6.592 1.00 0.00 O ATOM 876 CB LYS A 268 -7.188 -10.755 6.874 1.00 0.00 C ATOM 877 CG LYS A 268 -8.486 -10.624 7.654 1.00 0.00 C ATOM 878 CD LYS A 268 -8.263 -9.955 8.999 1.00 0.00 C ATOM 879 CE LYS A 268 -9.511 -9.228 9.474 1.00 0.00 C ATOM 880 NZ LYS A 268 -9.659 -9.286 10.954 1.00 0.00 N ATOM 0 H LYS A 268 -8.355 -9.314 4.303 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.415 -8.716 6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -7.178 -11.716 6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -6.352 -10.759 7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -9.204 -10.045 7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -8.922 -11.612 7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -7.975 -10.705 9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -7.436 -9.249 8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -9.468 -8.187 9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -10.389 -9.670 9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -10.522 -8.779 11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -9.726 -10.278 11.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -8.833 -8.841 11.403 1.00 0.00 H new ATOM 894 N TYR A 269 -5.084 -9.119 4.405 1.00 0.00 N ATOM 895 CA TYR A 269 -3.681 -8.868 4.089 1.00 0.00 C ATOM 896 C TYR A 269 -3.460 -7.407 3.707 1.00 0.00 C ATOM 897 O TYR A 269 -2.477 -7.073 3.046 1.00 0.00 O ATOM 898 CB TYR A 269 -3.218 -9.774 2.946 1.00 0.00 C ATOM 899 CG TYR A 269 -2.730 -11.133 3.400 1.00 0.00 C ATOM 900 CD1 TYR A 269 -3.414 -11.852 4.372 1.00 0.00 C ATOM 901 CD2 TYR A 269 -1.585 -11.696 2.853 1.00 0.00 C ATOM 902 CE1 TYR A 269 -2.971 -13.094 4.785 1.00 0.00 C ATOM 903 CE2 TYR A 269 -1.134 -12.937 3.262 1.00 0.00 C ATOM 904 CZ TYR A 269 -1.830 -13.631 4.228 1.00 0.00 C ATOM 905 OH TYR A 269 -1.386 -14.868 4.636 1.00 0.00 O ATOM 0 H TYR A 269 -5.715 -9.056 3.606 1.00 0.00 H new ATOM 0 HA TYR A 269 -3.094 -9.089 4.981 1.00 0.00 H new ATOM 0 HB2 TYR A 269 -4.043 -9.910 2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 269 -2.417 -9.275 2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 269 -4.307 -11.433 4.812 1.00 0.00 H new ATOM 0 HD2 TYR A 269 -1.037 -11.155 2.095 1.00 0.00 H new ATOM 0 HE1 TYR A 269 -3.516 -13.641 5.540 1.00 0.00 H new ATOM 0 HE2 TYR A 269 -0.241 -13.361 2.827 1.00 0.00 H new ATOM 0 HH TYR A 269 -0.571 -15.101 4.145 1.00 0.00 H new ATOM 915 N GLY A 270 -4.378 -6.540 4.123 1.00 0.00 N ATOM 916 CA GLY A 270 -4.259 -5.128 3.810 1.00 0.00 C ATOM 917 C GLY A 270 -4.253 -4.255 5.048 1.00 0.00 C ATOM 918 O GLY A 270 -5.155 -4.340 5.882 1.00 0.00 O ATOM 0 H GLY A 270 -5.201 -6.790 4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -3.340 -4.961 3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -5.086 -4.832 3.165 1.00 0.00 H new ATOM 922 N LEU A 271 -3.232 -3.411 5.169 1.00 0.00 N ATOM 923 CA LEU A 271 -3.111 -2.517 6.314 1.00 0.00 C ATOM 924 C LEU A 271 -2.810 -1.093 5.856 1.00 0.00 C ATOM 925 O LEU A 271 -1.915 -0.868 5.041 1.00 0.00 O ATOM 926 CB LEU A 271 -2.011 -3.010 7.257 1.00 0.00 C ATOM 927 CG LEU A 271 -2.195 -2.620 8.726 1.00 0.00 C ATOM 928 CD1 LEU A 271 -3.440 -3.282 9.303 1.00 0.00 C ATOM 929 CD2 LEU A 271 -0.962 -2.998 9.535 1.00 0.00 C ATOM 0 H LEU A 271 -2.477 -3.328 4.488 1.00 0.00 H new ATOM 0 HA LEU A 271 -4.061 -2.515 6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -1.955 -4.096 7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -1.054 -2.620 6.910 1.00 0.00 H new ATOM 0 HG LEU A 271 -2.325 -1.539 8.783 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -3.555 -2.993 10.348 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -4.317 -2.962 8.740 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -3.341 -4.365 9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -1.109 -2.714 10.577 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -0.801 -4.074 9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 271 -0.092 -2.477 9.136 1.00 0.00 H new ATOM 941 N PHE A 272 -3.569 -0.136 6.380 1.00 0.00 N ATOM 942 CA PHE A 272 -3.391 1.267 6.020 1.00 0.00 C ATOM 943 C PHE A 272 -2.706 2.040 7.143 1.00 0.00 C ATOM 944 O PHE A 272 -3.285 2.236 8.210 1.00 0.00 O ATOM 945 CB PHE A 272 -4.747 1.905 5.712 1.00 0.00 C ATOM 946 CG PHE A 272 -5.291 1.548 4.359 1.00 0.00 C ATOM 947 CD1 PHE A 272 -5.429 0.222 3.980 1.00 0.00 C ATOM 948 CD2 PHE A 272 -5.668 2.539 3.467 1.00 0.00 C ATOM 949 CE1 PHE A 272 -5.933 -0.109 2.737 1.00 0.00 C ATOM 950 CE2 PHE A 272 -6.172 2.214 2.222 1.00 0.00 C ATOM 951 CZ PHE A 272 -6.306 0.889 1.856 1.00 0.00 C ATOM 0 H PHE A 272 -4.314 -0.306 7.056 1.00 0.00 H new ATOM 0 HA PHE A 272 -2.757 1.310 5.134 1.00 0.00 H new ATOM 0 HB2 PHE A 272 -5.464 1.599 6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -4.652 2.989 5.781 1.00 0.00 H new ATOM 0 HD1 PHE A 272 -5.139 -0.562 4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 272 -5.567 3.577 3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 272 -6.035 -1.146 2.454 1.00 0.00 H new ATOM 0 HE2 PHE A 272 -6.461 2.996 1.535 1.00 0.00 H new ATOM 0 HZ PHE A 272 -6.701 0.633 0.884 1.00 0.00 H new ATOM 961 N ALA A 273 -1.478 2.489 6.896 1.00 0.00 N ATOM 962 CA ALA A 273 -0.732 3.252 7.891 1.00 0.00 C ATOM 963 C ALA A 273 0.062 4.384 7.237 1.00 0.00 C ATOM 964 O ALA A 273 0.508 4.265 6.096 1.00 0.00 O ATOM 965 CB ALA A 273 0.199 2.346 8.683 1.00 0.00 C ATOM 0 H ALA A 273 -0.980 2.338 6.018 1.00 0.00 H new ATOM 0 HA ALA A 273 -1.454 3.693 8.578 1.00 0.00 H new ATOM 0 HB1 ALA A 273 0.744 2.938 9.418 1.00 0.00 H new ATOM 0 HB2 ALA A 273 -0.386 1.581 9.194 1.00 0.00 H new ATOM 0 HB3 ALA A 273 0.906 1.869 8.005 1.00 0.00 H new ATOM 971 N PRO A 274 0.249 5.498 7.964 1.00 0.00 N ATOM 972 CA PRO A 274 0.990 6.661 7.466 1.00 0.00 C ATOM 973 C PRO A 274 2.324 6.281 6.832 1.00 0.00 C ATOM 974 O PRO A 274 2.839 5.186 7.051 1.00 0.00 O ATOM 975 CB PRO A 274 1.231 7.487 8.725 1.00 0.00 C ATOM 976 CG PRO A 274 0.107 7.137 9.635 1.00 0.00 C ATOM 977 CD PRO A 274 -0.254 5.709 9.333 1.00 0.00 C ATOM 0 HA PRO A 274 0.440 7.184 6.684 1.00 0.00 H new ATOM 0 HB2 PRO A 274 2.194 7.247 9.176 1.00 0.00 H new ATOM 0 HB3 PRO A 274 1.241 8.554 8.502 1.00 0.00 H new ATOM 0 HG2 PRO A 274 0.402 7.251 10.678 1.00 0.00 H new ATOM 0 HG3 PRO A 274 -0.745 7.796 9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 274 0.211 5.021 10.040 1.00 0.00 H new ATOM 0 HD3 PRO A 274 -1.330 5.548 9.392 1.00 0.00 H new ATOM 985 N VAL A 275 2.881 7.201 6.050 1.00 0.00 N ATOM 986 CA VAL A 275 4.158 6.971 5.391 1.00 0.00 C ATOM 987 C VAL A 275 5.301 6.968 6.404 1.00 0.00 C ATOM 988 O VAL A 275 6.274 6.231 6.252 1.00 0.00 O ATOM 989 CB VAL A 275 4.436 8.040 4.314 1.00 0.00 C ATOM 990 CG1 VAL A 275 4.499 9.426 4.937 1.00 0.00 C ATOM 991 CG2 VAL A 275 5.723 7.724 3.564 1.00 0.00 C ATOM 0 H VAL A 275 2.466 8.113 5.858 1.00 0.00 H new ATOM 0 HA VAL A 275 4.099 5.995 4.910 1.00 0.00 H new ATOM 0 HB VAL A 275 3.614 8.027 3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 275 4.696 10.165 4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 275 3.548 9.651 5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 275 5.298 9.456 5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 275 5.901 8.490 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 275 6.557 7.705 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 275 5.633 6.751 3.080 1.00 0.00 H new ATOM 1001 N HIS A 276 5.174 7.795 7.438 1.00 0.00 N ATOM 1002 CA HIS A 276 6.199 7.880 8.474 1.00 0.00 C ATOM 1003 C HIS A 276 6.134 6.676 9.408 1.00 0.00 C ATOM 1004 O HIS A 276 7.138 6.292 10.008 1.00 0.00 O ATOM 1005 CB HIS A 276 6.056 9.178 9.276 1.00 0.00 C ATOM 1006 CG HIS A 276 4.647 9.509 9.661 1.00 0.00 C ATOM 1007 ND1 HIS A 276 3.674 8.747 10.215 1.00 0.00 N flip ATOM 1008 CD2 HIS A 276 4.097 10.763 9.489 1.00 0.00 C flip ATOM 1009 CE1 HIS A 276 2.569 9.548 10.367 1.00 0.00 C flip ATOM 1010 NE2 HIS A 276 2.848 10.757 9.923 1.00 0.00 N flip ATOM 0 H HIS A 276 4.375 8.413 7.581 1.00 0.00 H new ATOM 0 HA HIS A 276 7.171 7.881 7.980 1.00 0.00 H new ATOM 0 HB2 HIS A 276 6.660 9.102 10.180 1.00 0.00 H new ATOM 0 HB3 HIS A 276 6.464 10.001 8.689 1.00 0.00 H new ATOM 0 HD2 HIS A 276 4.607 11.616 9.066 1.00 0.00 H new ATOM 0 HE1 HIS A 276 1.623 9.237 10.784 1.00 0.00 H new ATOM 0 HE2 HIS A 276 2.209 11.552 9.915 1.00 0.00 H new ATOM 1019 N LYS A 277 4.951 6.075 9.521 1.00 0.00 N ATOM 1020 CA LYS A 277 4.771 4.907 10.375 1.00 0.00 C ATOM 1021 C LYS A 277 5.311 3.653 9.699 1.00 0.00 C ATOM 1022 O LYS A 277 5.595 2.654 10.361 1.00 0.00 O ATOM 1023 CB LYS A 277 3.293 4.712 10.718 1.00 0.00 C ATOM 1024 CG LYS A 277 2.810 5.587 11.864 1.00 0.00 C ATOM 1025 CD LYS A 277 2.331 4.750 13.041 1.00 0.00 C ATOM 1026 CE LYS A 277 3.449 4.494 14.041 1.00 0.00 C ATOM 1027 NZ LYS A 277 4.640 3.867 13.406 1.00 0.00 N ATOM 0 H LYS A 277 4.108 6.377 9.034 1.00 0.00 H new ATOM 0 HA LYS A 277 5.329 5.078 11.295 1.00 0.00 H new ATOM 0 HB2 LYS A 277 2.693 4.924 9.833 1.00 0.00 H new ATOM 0 HB3 LYS A 277 3.124 3.666 10.975 1.00 0.00 H new ATOM 0 HG2 LYS A 277 3.618 6.243 12.188 1.00 0.00 H new ATOM 0 HG3 LYS A 277 1.999 6.227 11.517 1.00 0.00 H new ATOM 0 HD2 LYS A 277 1.507 5.261 13.539 1.00 0.00 H new ATOM 0 HD3 LYS A 277 1.943 3.799 12.677 1.00 0.00 H new ATOM 0 HE2 LYS A 277 3.741 5.436 14.506 1.00 0.00 H new ATOM 0 HE3 LYS A 277 3.081 3.847 14.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 277 5.090 3.216 14.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 277 4.345 3.340 12.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 277 5.318 4.607 13.134 1.00 0.00 H new ATOM 1041 N VAL A 278 5.452 3.711 8.379 1.00 0.00 N ATOM 1042 CA VAL A 278 5.961 2.576 7.624 1.00 0.00 C ATOM 1043 C VAL A 278 7.460 2.703 7.384 1.00 0.00 C ATOM 1044 O VAL A 278 7.970 3.793 7.124 1.00 0.00 O ATOM 1045 CB VAL A 278 5.247 2.427 6.268 1.00 0.00 C ATOM 1046 CG1 VAL A 278 5.661 1.135 5.590 1.00 0.00 C ATOM 1047 CG2 VAL A 278 3.738 2.473 6.446 1.00 0.00 C ATOM 0 H VAL A 278 5.222 4.528 7.814 1.00 0.00 H new ATOM 0 HA VAL A 278 5.764 1.689 8.225 1.00 0.00 H new ATOM 0 HB VAL A 278 5.542 3.262 5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 278 5.147 1.045 4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 278 6.738 1.140 5.424 1.00 0.00 H new ATOM 0 HG13 VAL A 278 5.395 0.290 6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 278 3.254 2.366 5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 278 3.424 1.660 7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 278 3.453 3.427 6.890 1.00 0.00 H new ATOM 1057 N THR A 279 8.162 1.579 7.477 1.00 0.00 N ATOM 1058 CA THR A 279 9.604 1.560 7.274 1.00 0.00 C ATOM 1059 C THR A 279 10.012 0.388 6.388 1.00 0.00 C ATOM 1060 O THR A 279 9.387 -0.671 6.415 1.00 0.00 O ATOM 1061 CB THR A 279 10.327 1.473 8.620 1.00 0.00 C ATOM 1062 OG1 THR A 279 9.455 1.822 9.681 1.00 0.00 O ATOM 1063 CG2 THR A 279 11.537 2.376 8.706 1.00 0.00 C ATOM 0 H THR A 279 7.754 0.669 7.692 1.00 0.00 H new ATOM 0 HA THR A 279 9.889 2.486 6.775 1.00 0.00 H new ATOM 0 HB THR A 279 10.658 0.438 8.705 1.00 0.00 H new ATOM 0 HG1 THR A 279 9.935 1.759 10.533 1.00 0.00 H new ATOM 0 HG21 THR A 279 12.004 2.267 9.685 1.00 0.00 H new ATOM 0 HG22 THR A 279 12.252 2.101 7.930 1.00 0.00 H new ATOM 0 HG23 THR A 279 11.229 3.412 8.565 1.00 0.00 H new ATOM 1071 N LYS A 280 11.066 0.587 5.603 1.00 0.00 N ATOM 1072 CA LYS A 280 11.558 -0.455 4.710 1.00 0.00 C ATOM 1073 C LYS A 280 12.216 -1.581 5.502 1.00 0.00 C ATOM 1074 O LYS A 280 13.022 -1.334 6.398 1.00 0.00 O ATOM 1075 CB LYS A 280 12.553 0.134 3.706 1.00 0.00 C ATOM 1076 CG LYS A 280 12.179 -0.126 2.257 1.00 0.00 C ATOM 1077 CD LYS A 280 13.406 -0.143 1.359 1.00 0.00 C ATOM 1078 CE LYS A 280 14.067 -1.511 1.343 1.00 0.00 C ATOM 1079 NZ LYS A 280 14.515 -1.895 -0.026 1.00 0.00 N ATOM 0 H LYS A 280 11.595 1.459 5.567 1.00 0.00 H new ATOM 0 HA LYS A 280 10.708 -0.868 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 280 12.625 1.210 3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.541 -0.284 3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 280 11.658 -1.080 2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 280 11.487 0.644 1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 280 13.120 0.135 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 280 14.121 0.604 1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 280 14.923 -1.509 2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 280 13.367 -2.257 1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 13.929 -2.680 -0.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 14.419 -1.080 -0.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 15.511 -2.194 0.006 1.00 0.00 H new ATOM 1093 N ILE A 281 11.864 -2.818 5.165 1.00 0.00 N ATOM 1094 CA ILE A 281 12.420 -3.981 5.844 1.00 0.00 C ATOM 1095 C ILE A 281 13.624 -4.538 5.088 1.00 0.00 C ATOM 1096 O ILE A 281 14.494 -5.182 5.675 1.00 0.00 O ATOM 1097 CB ILE A 281 11.364 -5.093 6.010 1.00 0.00 C ATOM 1098 CG1 ILE A 281 11.942 -6.271 6.799 1.00 0.00 C ATOM 1099 CG2 ILE A 281 10.855 -5.555 4.652 1.00 0.00 C ATOM 1100 CD1 ILE A 281 10.887 -7.195 7.366 1.00 0.00 C ATOM 0 H ILE A 281 11.197 -3.040 4.426 1.00 0.00 H new ATOM 0 HA ILE A 281 12.741 -3.649 6.831 1.00 0.00 H new ATOM 0 HB ILE A 281 10.522 -4.686 6.570 1.00 0.00 H new ATOM 0 HG12 ILE A 281 12.603 -6.844 6.149 1.00 0.00 H new ATOM 0 HG13 ILE A 281 12.553 -5.886 7.616 1.00 0.00 H new ATOM 0 HG21 ILE A 281 10.111 -6.340 4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 281 10.402 -4.714 4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 281 11.687 -5.943 4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 281 11.369 -8.006 7.912 1.00 0.00 H new ATOM 0 HD12 ILE A 281 10.240 -6.637 8.042 1.00 0.00 H new ATOM 0 HD13 ILE A 281 10.291 -7.609 6.553 1.00 0.00 H new ATOM 1112 N GLY A 282 13.669 -4.285 3.783 1.00 0.00 N ATOM 1113 CA GLY A 282 14.771 -4.768 2.973 1.00 0.00 C ATOM 1114 C GLY A 282 15.932 -3.794 2.939 1.00 0.00 C ATOM 1115 O GLY A 282 15.891 -2.746 3.583 1.00 0.00 O ATOM 0 H GLY A 282 12.962 -3.755 3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 282 15.114 -5.725 3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 282 14.420 -4.947 1.957 1.00 0.00 H new ATOM 1119 N PHE A 283 16.970 -4.141 2.185 1.00 0.00 N ATOM 1120 CA PHE A 283 18.149 -3.290 2.070 1.00 0.00 C ATOM 1121 C PHE A 283 17.996 -2.307 0.910 1.00 0.00 C ATOM 1122 O PHE A 283 17.441 -2.648 -0.134 1.00 0.00 O ATOM 1123 CB PHE A 283 19.402 -4.145 1.870 1.00 0.00 C ATOM 1124 CG PHE A 283 20.590 -3.659 2.648 1.00 0.00 C ATOM 1125 CD1 PHE A 283 20.677 -3.875 4.015 1.00 0.00 C ATOM 1126 CD2 PHE A 283 21.622 -2.986 2.014 1.00 0.00 C ATOM 1127 CE1 PHE A 283 21.769 -3.428 4.734 1.00 0.00 C ATOM 1128 CE2 PHE A 283 22.717 -2.538 2.727 1.00 0.00 C ATOM 1129 CZ PHE A 283 22.790 -2.759 4.088 1.00 0.00 C ATOM 0 H PHE A 283 17.019 -5.005 1.645 1.00 0.00 H new ATOM 0 HA PHE A 283 18.251 -2.721 2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 283 19.182 -5.172 2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 283 19.655 -4.163 0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 283 19.882 -4.399 4.524 1.00 0.00 H new ATOM 0 HD2 PHE A 283 21.570 -2.810 0.950 1.00 0.00 H new ATOM 0 HE1 PHE A 283 21.824 -3.601 5.799 1.00 0.00 H new ATOM 0 HE2 PHE A 283 23.515 -2.016 2.221 1.00 0.00 H new ATOM 0 HZ PHE A 283 23.645 -2.409 4.647 1.00 0.00 H new TER 1139 PHE A 283 ATOM 1140 N GLY B 444 0.454 10.065 24.450 1.00 0.00 N ATOM 1141 CA GLY B 444 0.662 9.659 23.072 1.00 0.00 C ATOM 1142 C GLY B 444 0.709 8.153 22.912 1.00 0.00 C ATOM 1143 O GLY B 444 0.965 7.428 23.873 1.00 0.00 O ATOM 0 HA2 GLY B 444 -0.139 10.062 22.453 1.00 0.00 H new ATOM 0 HA3 GLY B 444 1.594 10.089 22.707 1.00 0.00 H new ATOM 1146 N GLU B 445 0.463 7.679 21.695 1.00 0.00 N ATOM 1147 CA GLU B 445 0.478 6.249 21.413 1.00 0.00 C ATOM 1148 C GLU B 445 1.089 5.970 20.043 1.00 0.00 C ATOM 1149 O GLU B 445 0.560 6.399 19.017 1.00 0.00 O ATOM 1150 CB GLU B 445 -0.941 5.679 21.479 1.00 0.00 C ATOM 1151 CG GLU B 445 -1.021 4.326 22.167 1.00 0.00 C ATOM 1152 CD GLU B 445 -1.631 4.412 23.552 1.00 0.00 C ATOM 1153 OE1 GLU B 445 -2.875 4.483 23.650 1.00 0.00 O ATOM 1154 OE2 GLU B 445 -0.867 4.407 24.540 1.00 0.00 O ATOM 0 H GLU B 445 0.251 8.265 20.888 1.00 0.00 H new ATOM 0 HA GLU B 445 1.093 5.762 22.170 1.00 0.00 H new ATOM 0 HB2 GLU B 445 -1.583 6.384 22.007 1.00 0.00 H new ATOM 0 HB3 GLU B 445 -1.334 5.586 20.467 1.00 0.00 H new ATOM 0 HG2 GLU B 445 -1.613 3.646 21.555 1.00 0.00 H new ATOM 0 HG3 GLU B 445 -0.020 3.900 22.240 1.00 0.00 H new ATOM 1161 N GLU B 446 2.206 5.251 20.035 1.00 0.00 N ATOM 1162 CA GLU B 446 2.891 4.915 18.792 1.00 0.00 C ATOM 1163 C GLU B 446 1.983 4.099 17.874 1.00 0.00 C ATOM 1164 O GLU B 446 1.942 4.325 16.665 1.00 0.00 O ATOM 1165 CB GLU B 446 4.175 4.136 19.087 1.00 0.00 C ATOM 1166 CG GLU B 446 5.386 4.646 18.322 1.00 0.00 C ATOM 1167 CD GLU B 446 6.633 3.829 18.593 1.00 0.00 C ATOM 1168 OE1 GLU B 446 7.320 4.110 19.598 1.00 0.00 O ATOM 1169 OE2 GLU B 446 6.923 2.908 17.802 1.00 0.00 O ATOM 0 H GLU B 446 2.657 4.889 20.876 1.00 0.00 H new ATOM 0 HA GLU B 446 3.149 5.845 18.284 1.00 0.00 H new ATOM 0 HB2 GLU B 446 4.383 4.187 20.156 1.00 0.00 H new ATOM 0 HB3 GLU B 446 4.017 3.086 18.842 1.00 0.00 H new ATOM 0 HG2 GLU B 446 5.170 4.629 17.254 1.00 0.00 H new ATOM 0 HG3 GLU B 446 5.571 5.685 18.593 1.00 0.00 H new ATOM 1176 N GLU B 447 1.260 3.150 18.458 1.00 0.00 N ATOM 1177 CA GLU B 447 0.353 2.301 17.694 1.00 0.00 C ATOM 1178 C GLU B 447 -1.044 2.911 17.636 1.00 0.00 C ATOM 1179 O GLU B 447 -1.379 3.793 18.426 1.00 0.00 O ATOM 1180 CB GLU B 447 0.287 0.903 18.311 1.00 0.00 C ATOM 1181 CG GLU B 447 1.652 0.302 18.605 1.00 0.00 C ATOM 1182 CD GLU B 447 1.606 -0.733 19.713 1.00 0.00 C ATOM 1183 OE1 GLU B 447 1.565 -0.334 20.895 1.00 0.00 O ATOM 1184 OE2 GLU B 447 1.612 -1.941 19.396 1.00 0.00 O ATOM 0 H GLU B 447 1.284 2.949 19.458 1.00 0.00 H new ATOM 0 HA GLU B 447 0.738 2.223 16.677 1.00 0.00 H new ATOM 0 HB2 GLU B 447 -0.287 0.950 19.237 1.00 0.00 H new ATOM 0 HB3 GLU B 447 -0.254 0.241 17.634 1.00 0.00 H new ATOM 0 HG2 GLU B 447 2.045 -0.158 17.699 1.00 0.00 H new ATOM 0 HG3 GLU B 447 2.343 1.098 18.884 1.00 0.00 H new ATOM 1191 N GLY B 448 -1.853 2.437 16.693 1.00 0.00 N ATOM 1192 CA GLY B 448 -3.203 2.950 16.550 1.00 0.00 C ATOM 1193 C GLY B 448 -3.355 3.870 15.351 1.00 0.00 C ATOM 1194 O GLY B 448 -4.453 4.350 15.068 1.00 0.00 O ATOM 0 H GLY B 448 -1.598 1.708 16.027 1.00 0.00 H new ATOM 0 HA2 GLY B 448 -3.897 2.115 16.452 1.00 0.00 H new ATOM 0 HA3 GLY B 448 -3.480 3.490 17.455 1.00 0.00 H new ATOM 1198 N GLU B 449 -2.254 4.118 14.645 1.00 0.00 N ATOM 1199 CA GLU B 449 -2.278 4.988 13.476 1.00 0.00 C ATOM 1200 C GLU B 449 -2.414 4.178 12.194 1.00 0.00 C ATOM 1201 O GLU B 449 -1.989 4.621 11.130 1.00 0.00 O ATOM 1202 CB GLU B 449 -1.000 5.826 13.400 1.00 0.00 C ATOM 1203 CG GLU B 449 -0.447 6.232 14.757 1.00 0.00 C ATOM 1204 CD GLU B 449 0.446 7.455 14.681 1.00 0.00 C ATOM 1205 OE1 GLU B 449 0.143 8.361 13.878 1.00 0.00 O ATOM 1206 OE2 GLU B 449 1.449 7.504 15.423 1.00 0.00 O ATOM 0 H GLU B 449 -1.337 3.729 14.863 1.00 0.00 H new ATOM 0 HA GLU B 449 -3.141 5.646 13.577 1.00 0.00 H new ATOM 0 HB2 GLU B 449 -0.238 5.261 12.863 1.00 0.00 H new ATOM 0 HB3 GLU B 449 -1.201 6.725 12.817 1.00 0.00 H new ATOM 0 HG2 GLU B 449 -1.275 6.433 15.437 1.00 0.00 H new ATOM 0 HG3 GLU B 449 0.117 5.400 15.179 1.00 0.00 H new ATOM 1213 N GLU B 450 -2.997 2.991 12.293 1.00 0.00 N ATOM 1214 CA GLU B 450 -3.166 2.144 11.122 1.00 0.00 C ATOM 1215 C GLU B 450 -4.523 1.445 11.132 1.00 0.00 C ATOM 1216 O GLU B 450 -5.114 1.223 12.190 1.00 0.00 O ATOM 1217 CB GLU B 450 -2.031 1.119 11.042 1.00 0.00 C ATOM 1218 CG GLU B 450 -2.183 -0.050 12.005 1.00 0.00 C ATOM 1219 CD GLU B 450 -0.874 -0.438 12.663 1.00 0.00 C ATOM 1220 OE1 GLU B 450 0.054 -0.855 11.938 1.00 0.00 O ATOM 1221 OE2 GLU B 450 -0.776 -0.324 13.903 1.00 0.00 O ATOM 0 H GLU B 450 -3.357 2.597 13.162 1.00 0.00 H new ATOM 0 HA GLU B 450 -3.129 2.779 10.237 1.00 0.00 H new ATOM 0 HB2 GLU B 450 -1.975 0.733 10.024 1.00 0.00 H new ATOM 0 HB3 GLU B 450 -1.086 1.622 11.244 1.00 0.00 H new ATOM 0 HG2 GLU B 450 -2.909 0.211 12.775 1.00 0.00 H new ATOM 0 HG3 GLU B 450 -2.584 -0.909 11.467 1.00 0.00 H new ATOM 1228 N TYR B 451 -5.010 1.106 9.944 1.00 0.00 N ATOM 1229 CA TYR B 451 -6.298 0.437 9.804 1.00 0.00 C ATOM 1230 C TYR B 451 -6.213 -0.704 8.798 1.00 0.00 C ATOM 1231 O TYR B 451 -5.089 -1.186 8.542 1.00 0.00 O ATOM 1232 CB TYR B 451 -7.367 1.439 9.366 1.00 0.00 C ATOM 1233 CG TYR B 451 -7.912 2.276 10.501 1.00 0.00 C ATOM 1234 CD1 TYR B 451 -7.229 3.400 10.948 1.00 0.00 C ATOM 1235 CD2 TYR B 451 -9.109 1.945 11.124 1.00 0.00 C ATOM 1236 CE1 TYR B 451 -7.722 4.170 11.985 1.00 0.00 C ATOM 1237 CE2 TYR B 451 -9.608 2.710 12.161 1.00 0.00 C ATOM 1238 CZ TYR B 451 -8.911 3.820 12.588 1.00 0.00 C ATOM 1239 OH TYR B 451 -9.405 4.583 13.620 1.00 0.00 O ATOM 1240 OXT TYR B 451 -7.272 -1.110 8.274 1.00 0.00 O ATOM 0 H TYR B 451 -4.531 1.284 9.061 1.00 0.00 H new ATOM 0 HA TYR B 451 -6.572 0.021 10.774 1.00 0.00 H new ATOM 0 HB2 TYR B 451 -6.946 2.099 8.608 1.00 0.00 H new ATOM 0 HB3 TYR B 451 -8.189 0.899 8.896 1.00 0.00 H new ATOM 0 HD1 TYR B 451 -6.297 3.677 10.478 1.00 0.00 H new ATOM 0 HD2 TYR B 451 -9.658 1.076 10.793 1.00 0.00 H new ATOM 0 HE1 TYR B 451 -7.179 5.041 12.321 1.00 0.00 H new ATOM 0 HE2 TYR B 451 -10.540 2.439 12.635 1.00 0.00 H new ATOM 0 HH TYR B 451 -10.251 4.201 13.933 1.00 0.00 H new TER 1250 TYR B 451