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+ 161:sc= -0.0317 (180deg=-0.25) USER MOD Single : A 223 THR OG1 : rot 180:sc= 0.0054 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 THR OG1 : rot -23:sc= -2.44! USER MOD Single : A 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 CYS SG : rot 180:sc= -5.08! USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 ASN : amide:sc= 0.485 K(o=0.49,f=-7.9!) USER MOD Single : A 260 THR OG1 : rot 180:sc= 0 USER MOD Single : A 262 TYR OH : rot 0:sc= -1.11 USER MOD Single : A 264 GLN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 265 CYS SG : rot -0:sc= -0.301 USER MOD Single : A 266 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.0023) USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 269 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 276 HIS : no HD1:sc= -4.18! K(o=-4.2!,f=-3.7) USER MOD Single : A 277 LYS NZ :NH3+ -106:sc= 0.345 (180deg=-3.71!) USER MOD Single : A 279 THR OG1 : rot 180:sc= 0 USER MOD Single : A 280 LYS NZ :NH3+ 168:sc=-0.00253 (180deg=-0.0636) USER MOD Single : B 451 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 210 14.029 10.451 2.204 1.00 0.00 N ATOM 2 CA ARG A 210 13.516 9.085 2.219 1.00 0.00 C ATOM 3 C ARG A 210 12.060 9.047 1.768 1.00 0.00 C ATOM 4 O ARG A 210 11.272 9.934 2.101 1.00 0.00 O ATOM 5 CB ARG A 210 13.644 8.486 3.622 1.00 0.00 C ATOM 6 CG ARG A 210 12.799 9.197 4.668 1.00 0.00 C ATOM 7 CD ARG A 210 13.484 10.456 5.178 1.00 0.00 C ATOM 8 NE ARG A 210 12.692 11.655 4.913 1.00 0.00 N ATOM 9 CZ ARG A 210 11.501 11.894 5.455 1.00 0.00 C ATOM 10 NH1 ARG A 210 10.957 11.016 6.291 1.00 0.00 N ATOM 11 NH2 ARG A 210 10.849 13.010 5.161 1.00 0.00 N ATOM 0 HA ARG A 210 14.109 8.492 1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 210 13.355 7.435 3.587 1.00 0.00 H new ATOM 0 HB3 ARG A 210 14.690 8.519 3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 210 11.831 9.457 4.240 1.00 0.00 H new ATOM 0 HG3 ARG A 210 12.608 8.522 5.502 1.00 0.00 H new ATOM 0 HD2 ARG A 210 13.657 10.366 6.250 1.00 0.00 H new ATOM 0 HD3 ARG A 210 14.461 10.555 4.704 1.00 0.00 H new ATOM 0 HE ARG A 210 13.076 12.351 4.274 1.00 0.00 H new ATOM 0 HH11 ARG A 210 11.453 10.154 6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 210 10.044 11.204 6.704 1.00 0.00 H new ATOM 0 HH21 ARG A 210 11.260 13.687 4.518 1.00 0.00 H new ATOM 0 HH22 ARG A 210 9.936 13.192 5.577 1.00 0.00 H new ATOM 24 N GLU A 211 11.709 8.015 1.007 1.00 0.00 N ATOM 25 CA GLU A 211 10.347 7.862 0.510 1.00 0.00 C ATOM 26 C GLU A 211 10.023 6.393 0.254 1.00 0.00 C ATOM 27 O GLU A 211 10.922 5.557 0.161 1.00 0.00 O ATOM 28 CB GLU A 211 10.158 8.669 -0.776 1.00 0.00 C ATOM 29 CG GLU A 211 8.705 8.979 -1.093 1.00 0.00 C ATOM 30 CD GLU A 211 8.553 10.151 -2.043 1.00 0.00 C ATOM 31 OE1 GLU A 211 8.789 9.965 -3.256 1.00 0.00 O ATOM 32 OE2 GLU A 211 8.197 11.252 -1.575 1.00 0.00 O ATOM 0 H GLU A 211 12.348 7.273 0.722 1.00 0.00 H new ATOM 0 HA GLU A 211 9.664 8.239 1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 211 10.710 9.605 -0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 211 10.593 8.116 -1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 211 8.237 8.098 -1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 211 8.173 9.196 -0.167 1.00 0.00 H new ATOM 39 N LEU A 212 8.736 6.087 0.141 1.00 0.00 N ATOM 40 CA LEU A 212 8.295 4.719 -0.106 1.00 0.00 C ATOM 41 C LEU A 212 7.673 4.589 -1.492 1.00 0.00 C ATOM 42 O LEU A 212 7.058 5.527 -1.999 1.00 0.00 O ATOM 43 CB LEU A 212 7.284 4.287 0.959 1.00 0.00 C ATOM 44 CG LEU A 212 7.858 4.121 2.368 1.00 0.00 C ATOM 45 CD1 LEU A 212 6.756 3.778 3.358 1.00 0.00 C ATOM 46 CD2 LEU A 212 8.940 3.051 2.380 1.00 0.00 C ATOM 0 H LEU A 212 7.980 6.767 0.216 1.00 0.00 H new ATOM 0 HA LEU A 212 9.168 4.069 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 212 6.480 5.023 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 212 6.837 3.342 0.652 1.00 0.00 H new ATOM 0 HG LEU A 212 8.307 5.067 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 212 7.184 3.664 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 212 6.016 4.578 3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 212 6.277 2.845 3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 212 9.337 2.946 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 212 8.515 2.101 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 212 9.744 3.339 1.702 1.00 0.00 H new ATOM 58 N LYS A 213 7.840 3.420 -2.100 1.00 0.00 N ATOM 59 CA LYS A 213 7.296 3.164 -3.430 1.00 0.00 C ATOM 60 C LYS A 213 6.534 1.844 -3.460 1.00 0.00 C ATOM 61 O LYS A 213 6.874 0.903 -2.742 1.00 0.00 O ATOM 62 CB LYS A 213 8.419 3.143 -4.466 1.00 0.00 C ATOM 63 CG LYS A 213 9.309 4.374 -4.424 1.00 0.00 C ATOM 64 CD LYS A 213 10.625 4.087 -3.717 1.00 0.00 C ATOM 65 CE LYS A 213 11.675 3.565 -4.684 1.00 0.00 C ATOM 66 NZ LYS A 213 12.147 4.624 -5.618 1.00 0.00 N ATOM 0 H LYS A 213 8.348 2.634 -1.694 1.00 0.00 H new ATOM 0 HA LYS A 213 6.602 3.968 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 213 9.032 2.256 -4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 213 7.983 3.054 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 213 9.508 4.715 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 213 8.789 5.183 -3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 213 10.989 4.997 -3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 213 10.462 3.355 -2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 213 12.523 3.173 -4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 213 11.261 2.735 -5.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 213 13.059 4.342 -6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 213 11.448 4.753 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 213 12.264 5.518 -5.099 1.00 0.00 H new ATOM 80 N ILE A 214 5.505 1.778 -4.298 1.00 0.00 N ATOM 81 CA ILE A 214 4.697 0.570 -4.422 1.00 0.00 C ATOM 82 C ILE A 214 5.555 -0.617 -4.853 1.00 0.00 C ATOM 83 O ILE A 214 6.431 -0.484 -5.708 1.00 0.00 O ATOM 84 CB ILE A 214 3.549 0.764 -5.434 1.00 0.00 C ATOM 85 CG1 ILE A 214 2.694 1.971 -5.038 1.00 0.00 C ATOM 86 CG2 ILE A 214 2.695 -0.495 -5.523 1.00 0.00 C ATOM 87 CD1 ILE A 214 2.405 2.911 -6.187 1.00 0.00 C ATOM 0 H ILE A 214 5.211 2.546 -4.901 1.00 0.00 H new ATOM 0 HA ILE A 214 4.269 0.367 -3.440 1.00 0.00 H new ATOM 0 HB ILE A 214 3.979 0.952 -6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 214 1.750 1.617 -4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 214 3.203 2.523 -4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 214 1.891 -0.339 -6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 214 3.314 -1.332 -5.847 1.00 0.00 H new ATOM 0 HG23 ILE A 214 2.269 -0.716 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 214 1.795 3.742 -5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 214 3.343 3.295 -6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 214 1.868 2.375 -6.970 1.00 0.00 H new ATOM 99 N GLY A 215 5.299 -1.773 -4.252 1.00 0.00 N ATOM 100 CA GLY A 215 6.059 -2.964 -4.581 1.00 0.00 C ATOM 101 C GLY A 215 7.274 -3.148 -3.690 1.00 0.00 C ATOM 102 O GLY A 215 7.988 -4.144 -3.804 1.00 0.00 O ATOM 0 H GLY A 215 4.578 -1.907 -3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 215 5.413 -3.838 -4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 215 6.381 -2.909 -5.621 1.00 0.00 H new ATOM 106 N ASP A 216 7.513 -2.183 -2.803 1.00 0.00 N ATOM 107 CA ASP A 216 8.652 -2.245 -1.896 1.00 0.00 C ATOM 108 C ASP A 216 8.256 -2.867 -0.560 1.00 0.00 C ATOM 109 O ASP A 216 7.167 -2.616 -0.046 1.00 0.00 O ATOM 110 CB ASP A 216 9.227 -0.846 -1.670 1.00 0.00 C ATOM 111 CG ASP A 216 10.037 -0.356 -2.854 1.00 0.00 C ATOM 112 OD1 ASP A 216 9.473 -0.273 -3.965 1.00 0.00 O ATOM 113 OD2 ASP A 216 11.235 -0.057 -2.670 1.00 0.00 O ATOM 0 H ASP A 216 6.933 -1.351 -2.695 1.00 0.00 H new ATOM 0 HA ASP A 216 9.414 -2.875 -2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.412 -0.148 -1.477 1.00 0.00 H new ATOM 0 HB3 ASP A 216 9.857 -0.854 -0.781 1.00 0.00 H new ATOM 118 N ARG A 217 9.152 -3.676 -0.003 1.00 0.00 N ATOM 119 CA ARG A 217 8.899 -4.330 1.275 1.00 0.00 C ATOM 120 C ARG A 217 9.076 -3.345 2.424 1.00 0.00 C ATOM 121 O ARG A 217 10.078 -2.636 2.497 1.00 0.00 O ATOM 122 CB ARG A 217 9.841 -5.522 1.458 1.00 0.00 C ATOM 123 CG ARG A 217 9.231 -6.663 2.257 1.00 0.00 C ATOM 124 CD ARG A 217 8.273 -7.484 1.409 1.00 0.00 C ATOM 125 NE ARG A 217 8.950 -8.585 0.729 1.00 0.00 N ATOM 126 CZ ARG A 217 8.315 -9.579 0.114 1.00 0.00 C ATOM 127 NH1 ARG A 217 6.987 -9.615 0.089 1.00 0.00 N ATOM 128 NH2 ARG A 217 9.007 -10.540 -0.483 1.00 0.00 N ATOM 0 H ARG A 217 10.059 -3.894 -0.417 1.00 0.00 H new ATOM 0 HA ARG A 217 7.870 -4.689 1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 217 10.137 -5.894 0.477 1.00 0.00 H new ATOM 0 HB3 ARG A 217 10.748 -5.184 1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 217 10.024 -7.306 2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 217 8.702 -6.262 3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 217 7.479 -7.882 2.041 1.00 0.00 H new ATOM 0 HD3 ARG A 217 7.799 -6.838 0.670 1.00 0.00 H new ATOM 0 HE ARG A 217 9.970 -8.592 0.725 1.00 0.00 H new ATOM 0 HH11 ARG A 217 6.448 -8.878 0.543 1.00 0.00 H new ATOM 0 HH12 ARG A 217 6.506 -10.380 -0.384 1.00 0.00 H new ATOM 0 HH21 ARG A 217 10.027 -10.517 -0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 217 8.520 -11.302 -0.954 1.00 0.00 H new ATOM 142 N VAL A 218 8.092 -3.299 3.314 1.00 0.00 N ATOM 143 CA VAL A 218 8.138 -2.392 4.451 1.00 0.00 C ATOM 144 C VAL A 218 7.391 -2.959 5.651 1.00 0.00 C ATOM 145 O VAL A 218 6.880 -4.079 5.609 1.00 0.00 O ATOM 146 CB VAL A 218 7.526 -1.023 4.092 1.00 0.00 C ATOM 147 CG1 VAL A 218 8.175 -0.458 2.838 1.00 0.00 C ATOM 148 CG2 VAL A 218 6.016 -1.139 3.915 1.00 0.00 C ATOM 0 H VAL A 218 7.254 -3.879 3.269 1.00 0.00 H new ATOM 0 HA VAL A 218 9.190 -2.269 4.710 1.00 0.00 H new ATOM 0 HB VAL A 218 7.720 -0.335 4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 218 7.729 0.508 2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 218 9.245 -0.333 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 218 8.017 -1.144 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 218 5.603 -0.162 3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 218 5.797 -1.844 3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 218 5.567 -1.493 4.843 1.00 0.00 H new ATOM 158 N LEU A 219 7.316 -2.167 6.713 1.00 0.00 N ATOM 159 CA LEU A 219 6.615 -2.569 7.923 1.00 0.00 C ATOM 160 C LEU A 219 5.550 -1.544 8.279 1.00 0.00 C ATOM 161 O LEU A 219 5.854 -0.372 8.492 1.00 0.00 O ATOM 162 CB LEU A 219 7.584 -2.719 9.096 1.00 0.00 C ATOM 163 CG LEU A 219 8.659 -3.796 8.934 1.00 0.00 C ATOM 164 CD1 LEU A 219 9.379 -4.022 10.253 1.00 0.00 C ATOM 165 CD2 LEU A 219 8.047 -5.094 8.429 1.00 0.00 C ATOM 0 H LEU A 219 7.735 -1.238 6.759 1.00 0.00 H new ATOM 0 HA LEU A 219 6.145 -3.534 7.731 1.00 0.00 H new ATOM 0 HB2 LEU A 219 8.077 -1.761 9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 219 7.007 -2.939 9.994 1.00 0.00 H new ATOM 0 HG LEU A 219 9.384 -3.453 8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 219 10.141 -4.790 10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 219 9.851 -3.093 10.574 1.00 0.00 H new ATOM 0 HD13 LEU A 219 8.662 -4.345 11.008 1.00 0.00 H new ATOM 0 HD21 LEU A 219 8.828 -5.847 8.321 1.00 0.00 H new ATOM 0 HD22 LEU A 219 7.301 -5.446 9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 219 7.573 -4.921 7.463 1.00 0.00 H new ATOM 177 N VAL A 220 4.306 -1.989 8.353 1.00 0.00 N ATOM 178 CA VAL A 220 3.205 -1.097 8.696 1.00 0.00 C ATOM 179 C VAL A 220 3.002 -1.073 10.206 1.00 0.00 C ATOM 180 O VAL A 220 2.594 -2.068 10.808 1.00 0.00 O ATOM 181 CB VAL A 220 1.879 -1.495 7.999 1.00 0.00 C ATOM 182 CG1 VAL A 220 1.333 -0.329 7.185 1.00 0.00 C ATOM 183 CG2 VAL A 220 2.062 -2.724 7.117 1.00 0.00 C ATOM 0 H VAL A 220 4.032 -2.956 8.182 1.00 0.00 H new ATOM 0 HA VAL A 220 3.477 -0.104 8.340 1.00 0.00 H new ATOM 0 HB VAL A 220 1.157 -1.747 8.775 1.00 0.00 H new ATOM 0 HG11 VAL A 220 0.402 -0.626 6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 220 1.146 0.519 7.844 1.00 0.00 H new ATOM 0 HG13 VAL A 220 2.060 -0.044 6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 220 1.113 -2.976 6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 220 2.806 -2.513 6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 220 2.397 -3.563 7.727 1.00 0.00 H new ATOM 193 N GLY A 221 3.310 0.067 10.815 1.00 0.00 N ATOM 194 CA GLY A 221 3.175 0.204 12.252 1.00 0.00 C ATOM 195 C GLY A 221 4.419 -0.248 13.000 1.00 0.00 C ATOM 196 O GLY A 221 4.511 -0.084 14.216 1.00 0.00 O ATOM 0 H GLY A 221 3.652 0.901 10.337 1.00 0.00 H new ATOM 0 HA2 GLY A 221 2.967 1.246 12.496 1.00 0.00 H new ATOM 0 HA3 GLY A 221 2.319 -0.380 12.591 1.00 0.00 H new ATOM 200 N GLY A 222 5.379 -0.817 12.270 1.00 0.00 N ATOM 201 CA GLY A 222 6.608 -1.282 12.889 1.00 0.00 C ATOM 202 C GLY A 222 6.524 -2.726 13.344 1.00 0.00 C ATOM 203 O GLY A 222 7.543 -3.410 13.449 1.00 0.00 O ATOM 0 H GLY A 222 5.326 -0.963 11.262 1.00 0.00 H new ATOM 0 HA2 GLY A 222 7.430 -1.176 12.181 1.00 0.00 H new ATOM 0 HA3 GLY A 222 6.841 -0.649 13.745 1.00 0.00 H new ATOM 207 N THR A 223 5.311 -3.190 13.618 1.00 0.00 N ATOM 208 CA THR A 223 5.100 -4.559 14.066 1.00 0.00 C ATOM 209 C THR A 223 4.603 -5.434 12.924 1.00 0.00 C ATOM 210 O THR A 223 4.818 -6.646 12.916 1.00 0.00 O ATOM 211 CB THR A 223 4.097 -4.583 15.217 1.00 0.00 C ATOM 212 OG1 THR A 223 2.947 -3.820 14.897 1.00 0.00 O ATOM 213 CG2 THR A 223 4.662 -4.038 16.509 1.00 0.00 C ATOM 0 H THR A 223 4.458 -2.637 13.537 1.00 0.00 H new ATOM 0 HA THR A 223 6.054 -4.957 14.412 1.00 0.00 H new ATOM 0 HB THR A 223 3.846 -5.634 15.361 1.00 0.00 H new ATOM 0 HG1 THR A 223 2.316 -3.849 15.646 1.00 0.00 H new ATOM 0 HG21 THR A 223 3.900 -4.083 17.287 1.00 0.00 H new ATOM 0 HG22 THR A 223 5.523 -4.635 16.810 1.00 0.00 H new ATOM 0 HG23 THR A 223 4.971 -3.003 16.363 1.00 0.00 H new ATOM 221 N LYS A 224 3.933 -4.813 11.959 1.00 0.00 N ATOM 222 CA LYS A 224 3.403 -5.536 10.811 1.00 0.00 C ATOM 223 C LYS A 224 4.324 -5.374 9.605 1.00 0.00 C ATOM 224 O LYS A 224 4.956 -4.333 9.433 1.00 0.00 O ATOM 225 CB LYS A 224 1.995 -5.034 10.467 1.00 0.00 C ATOM 226 CG LYS A 224 1.177 -4.600 11.679 1.00 0.00 C ATOM 227 CD LYS A 224 0.454 -5.776 12.318 1.00 0.00 C ATOM 228 CE LYS A 224 1.430 -6.778 12.912 1.00 0.00 C ATOM 229 NZ LYS A 224 0.833 -7.523 14.056 1.00 0.00 N ATOM 0 H LYS A 224 3.745 -3.811 11.950 1.00 0.00 H new ATOM 0 HA LYS A 224 3.347 -6.594 11.068 1.00 0.00 H new ATOM 0 HB2 LYS A 224 2.078 -4.193 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 224 1.457 -5.824 9.943 1.00 0.00 H new ATOM 0 HG2 LYS A 224 1.834 -4.133 12.413 1.00 0.00 H new ATOM 0 HG3 LYS A 224 0.450 -3.846 11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -0.215 -5.412 13.098 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -0.167 -6.271 11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 224 1.740 -7.484 12.141 1.00 0.00 H new ATOM 0 HE3 LYS A 224 2.327 -6.257 13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 1.530 -8.196 14.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 0.560 -6.852 14.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -0.008 -8.041 13.732 1.00 0.00 H new ATOM 243 N ALA A 225 4.397 -6.408 8.773 1.00 0.00 N ATOM 244 CA ALA A 225 5.243 -6.372 7.586 1.00 0.00 C ATOM 245 C ALA A 225 4.425 -6.591 6.324 1.00 0.00 C ATOM 246 O ALA A 225 3.456 -7.350 6.327 1.00 0.00 O ATOM 247 CB ALA A 225 6.341 -7.418 7.683 1.00 0.00 C ATOM 0 H ALA A 225 3.882 -7.279 8.899 1.00 0.00 H new ATOM 0 HA ALA A 225 5.699 -5.384 7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 225 6.963 -7.377 6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 225 6.955 -7.220 8.561 1.00 0.00 H new ATOM 0 HB3 ALA A 225 5.894 -8.408 7.769 1.00 0.00 H new ATOM 253 N GLY A 226 4.818 -5.927 5.243 1.00 0.00 N ATOM 254 CA GLY A 226 4.103 -6.070 3.991 1.00 0.00 C ATOM 255 C GLY A 226 4.754 -5.313 2.850 1.00 0.00 C ATOM 256 O GLY A 226 5.895 -4.867 2.960 1.00 0.00 O ATOM 0 H GLY A 226 5.617 -5.294 5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 226 4.043 -7.127 3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 226 3.081 -5.715 4.120 1.00 0.00 H new ATOM 260 N VAL A 227 4.021 -5.174 1.751 1.00 0.00 N ATOM 261 CA VAL A 227 4.522 -4.471 0.576 1.00 0.00 C ATOM 262 C VAL A 227 3.642 -3.271 0.239 1.00 0.00 C ATOM 263 O VAL A 227 2.419 -3.379 0.206 1.00 0.00 O ATOM 264 CB VAL A 227 4.588 -5.412 -0.647 1.00 0.00 C ATOM 265 CG1 VAL A 227 4.923 -4.637 -1.914 1.00 0.00 C ATOM 266 CG2 VAL A 227 5.602 -6.520 -0.411 1.00 0.00 C ATOM 0 H VAL A 227 3.074 -5.540 1.649 1.00 0.00 H new ATOM 0 HA VAL A 227 5.527 -4.122 0.813 1.00 0.00 H new ATOM 0 HB VAL A 227 3.606 -5.865 -0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 227 4.963 -5.323 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 227 4.156 -3.884 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 227 5.890 -4.148 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 227 5.636 -7.174 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 227 6.587 -6.083 -0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.311 -7.099 0.466 1.00 0.00 H new ATOM 276 N VAL A 228 4.275 -2.134 -0.023 1.00 0.00 N ATOM 277 CA VAL A 228 3.545 -0.922 -0.369 1.00 0.00 C ATOM 278 C VAL A 228 2.743 -1.126 -1.648 1.00 0.00 C ATOM 279 O VAL A 228 3.269 -1.604 -2.652 1.00 0.00 O ATOM 280 CB VAL A 228 4.502 0.273 -0.550 1.00 0.00 C ATOM 281 CG1 VAL A 228 3.720 1.559 -0.770 1.00 0.00 C ATOM 282 CG2 VAL A 228 5.427 0.398 0.652 1.00 0.00 C ATOM 0 H VAL A 228 5.289 -2.026 -0.002 1.00 0.00 H new ATOM 0 HA VAL A 228 2.864 -0.704 0.454 1.00 0.00 H new ATOM 0 HB VAL A 228 5.114 0.096 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 228 4.414 2.390 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 228 3.105 1.462 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 228 3.080 1.748 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 228 6.097 1.246 0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 228 4.834 0.552 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 228 6.014 -0.514 0.756 1.00 0.00 H new ATOM 292 N ARG A 229 1.461 -0.782 -1.602 1.00 0.00 N ATOM 293 CA ARG A 229 0.587 -0.950 -2.758 1.00 0.00 C ATOM 294 C ARG A 229 0.019 0.384 -3.236 1.00 0.00 C ATOM 295 O ARG A 229 -0.209 0.575 -4.430 1.00 0.00 O ATOM 296 CB ARG A 229 -0.549 -1.913 -2.408 1.00 0.00 C ATOM 297 CG ARG A 229 -0.066 -3.275 -1.936 1.00 0.00 C ATOM 298 CD ARG A 229 0.911 -3.892 -2.924 1.00 0.00 C ATOM 299 NE ARG A 229 0.674 -5.321 -3.108 1.00 0.00 N ATOM 300 CZ ARG A 229 1.109 -6.017 -4.155 1.00 0.00 C ATOM 301 NH1 ARG A 229 1.810 -5.423 -5.113 1.00 0.00 N ATOM 302 NH2 ARG A 229 0.844 -7.314 -4.246 1.00 0.00 N ATOM 0 H ARG A 229 1.005 -0.386 -0.780 1.00 0.00 H new ATOM 0 HA ARG A 229 1.181 -1.364 -3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 229 -1.167 -1.466 -1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 229 -1.185 -2.045 -3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 229 0.414 -3.175 -0.962 1.00 0.00 H new ATOM 0 HG3 ARG A 229 -0.920 -3.939 -1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 229 0.825 -3.384 -3.884 1.00 0.00 H new ATOM 0 HD3 ARG A 229 1.930 -3.736 -2.571 1.00 0.00 H new ATOM 0 HE ARG A 229 0.143 -5.815 -2.391 1.00 0.00 H new ATOM 0 HH11 ARG A 229 2.018 -4.427 -5.049 1.00 0.00 H new ATOM 0 HH12 ARG A 229 2.140 -5.963 -5.913 1.00 0.00 H new ATOM 0 HH21 ARG A 229 0.307 -7.777 -3.513 1.00 0.00 H new ATOM 0 HH22 ARG A 229 1.178 -7.848 -5.049 1.00 0.00 H new ATOM 316 N PHE A 230 -0.208 1.303 -2.305 1.00 0.00 N ATOM 317 CA PHE A 230 -0.748 2.614 -2.646 1.00 0.00 C ATOM 318 C PHE A 230 -0.402 3.639 -1.573 1.00 0.00 C ATOM 319 O PHE A 230 -0.290 3.303 -0.401 1.00 0.00 O ATOM 320 CB PHE A 230 -2.266 2.533 -2.820 1.00 0.00 C ATOM 321 CG PHE A 230 -2.842 3.673 -3.613 1.00 0.00 C ATOM 322 CD1 PHE A 230 -2.621 3.767 -4.977 1.00 0.00 C ATOM 323 CD2 PHE A 230 -3.606 4.648 -2.992 1.00 0.00 C ATOM 324 CE1 PHE A 230 -3.150 4.814 -5.709 1.00 0.00 C ATOM 325 CE2 PHE A 230 -4.137 5.697 -3.718 1.00 0.00 C ATOM 326 CZ PHE A 230 -3.910 5.780 -5.077 1.00 0.00 C ATOM 0 H PHE A 230 -0.027 1.165 -1.311 1.00 0.00 H new ATOM 0 HA PHE A 230 -0.298 2.932 -3.586 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -2.517 1.594 -3.314 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -2.736 2.512 -1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -2.028 3.014 -5.475 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -3.788 4.587 -1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -2.970 4.877 -6.772 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -4.729 6.452 -3.222 1.00 0.00 H new ATOM 0 HZ PHE A 230 -4.326 6.599 -5.646 1.00 0.00 H new ATOM 336 N LEU A 231 -0.230 4.891 -1.980 1.00 0.00 N ATOM 337 CA LEU A 231 0.102 5.954 -1.037 1.00 0.00 C ATOM 338 C LEU A 231 -0.759 7.189 -1.280 1.00 0.00 C ATOM 339 O LEU A 231 -0.729 7.775 -2.361 1.00 0.00 O ATOM 340 CB LEU A 231 1.585 6.314 -1.138 1.00 0.00 C ATOM 341 CG LEU A 231 2.540 5.117 -1.200 1.00 0.00 C ATOM 342 CD1 LEU A 231 3.262 5.076 -2.538 1.00 0.00 C ATOM 343 CD2 LEU A 231 3.540 5.169 -0.055 1.00 0.00 C ATOM 0 H LEU A 231 -0.314 5.195 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 231 -0.103 5.588 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 231 1.735 6.926 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 231 1.853 6.929 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 231 1.951 4.205 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 231 3.935 4.219 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 231 2.532 4.987 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 231 3.837 5.993 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 231 4.209 4.311 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 231 4.122 6.088 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 231 3.007 5.146 0.895 1.00 0.00 H new ATOM 355 N GLY A 232 -1.525 7.576 -0.264 1.00 0.00 N ATOM 356 CA GLY A 232 -2.383 8.738 -0.383 1.00 0.00 C ATOM 357 C GLY A 232 -3.273 8.927 0.829 1.00 0.00 C ATOM 358 O GLY A 232 -3.127 8.225 1.829 1.00 0.00 O ATOM 0 H GLY A 232 -1.566 7.104 0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 232 -1.768 9.627 -0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 232 -3.003 8.638 -1.274 1.00 0.00 H new ATOM 362 N GLU A 233 -4.197 9.877 0.739 1.00 0.00 N ATOM 363 CA GLU A 233 -5.114 10.156 1.840 1.00 0.00 C ATOM 364 C GLU A 233 -6.256 9.145 1.865 1.00 0.00 C ATOM 365 O GLU A 233 -6.510 8.456 0.877 1.00 0.00 O ATOM 366 CB GLU A 233 -5.674 11.575 1.718 1.00 0.00 C ATOM 367 CG GLU A 233 -4.606 12.635 1.503 1.00 0.00 C ATOM 368 CD GLU A 233 -5.189 13.990 1.159 1.00 0.00 C ATOM 369 OE1 GLU A 233 -6.186 14.034 0.408 1.00 0.00 O ATOM 370 OE2 GLU A 233 -4.648 15.009 1.639 1.00 0.00 O ATOM 0 H GLU A 233 -4.332 10.466 -0.083 1.00 0.00 H new ATOM 0 HA GLU A 233 -4.558 10.072 2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -6.379 11.608 0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -6.235 11.814 2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -4.000 12.723 2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -3.940 12.316 0.701 1.00 0.00 H new ATOM 377 N THR A 234 -6.941 9.062 3.001 1.00 0.00 N ATOM 378 CA THR A 234 -8.055 8.135 3.155 1.00 0.00 C ATOM 379 C THR A 234 -9.378 8.886 3.261 1.00 0.00 C ATOM 380 O THR A 234 -9.402 10.092 3.507 1.00 0.00 O ATOM 381 CB THR A 234 -7.852 7.261 4.393 1.00 0.00 C ATOM 382 OG1 THR A 234 -8.009 8.023 5.575 1.00 0.00 O ATOM 383 CG2 THR A 234 -6.490 6.603 4.445 1.00 0.00 C ATOM 0 H THR A 234 -6.744 9.626 3.828 1.00 0.00 H new ATOM 0 HA THR A 234 -8.089 7.498 2.271 1.00 0.00 H new ATOM 0 HB THR A 234 -8.610 6.481 4.324 1.00 0.00 H new ATOM 0 HG1 THR A 234 -7.855 8.970 5.376 1.00 0.00 H new ATOM 0 HG21 THR A 234 -6.413 5.998 5.348 1.00 0.00 H new ATOM 0 HG22 THR A 234 -6.360 5.967 3.570 1.00 0.00 H new ATOM 0 HG23 THR A 234 -5.716 7.370 4.455 1.00 0.00 H new ATOM 391 N ASP A 235 -10.477 8.164 3.073 1.00 0.00 N ATOM 392 CA ASP A 235 -11.805 8.761 3.146 1.00 0.00 C ATOM 393 C ASP A 235 -12.349 8.741 4.576 1.00 0.00 C ATOM 394 O ASP A 235 -13.425 9.276 4.844 1.00 0.00 O ATOM 395 CB ASP A 235 -12.769 8.024 2.215 1.00 0.00 C ATOM 396 CG ASP A 235 -13.837 8.938 1.647 1.00 0.00 C ATOM 397 OD1 ASP A 235 -13.540 9.672 0.682 1.00 0.00 O ATOM 398 OD2 ASP A 235 -14.972 8.920 2.170 1.00 0.00 O ATOM 0 H ASP A 235 -10.474 7.165 2.869 1.00 0.00 H new ATOM 0 HA ASP A 235 -11.719 9.800 2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 235 -12.207 7.574 1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 235 -13.245 7.209 2.760 1.00 0.00 H new ATOM 403 N PHE A 236 -11.605 8.124 5.490 1.00 0.00 N ATOM 404 CA PHE A 236 -12.028 8.042 6.886 1.00 0.00 C ATOM 405 C PHE A 236 -10.989 8.661 7.824 1.00 0.00 C ATOM 406 O PHE A 236 -11.290 8.963 8.980 1.00 0.00 O ATOM 407 CB PHE A 236 -12.290 6.583 7.282 1.00 0.00 C ATOM 408 CG PHE A 236 -11.048 5.805 7.630 1.00 0.00 C ATOM 409 CD1 PHE A 236 -10.045 5.612 6.694 1.00 0.00 C ATOM 410 CD2 PHE A 236 -10.888 5.268 8.897 1.00 0.00 C ATOM 411 CE1 PHE A 236 -8.905 4.900 7.016 1.00 0.00 C ATOM 412 CE2 PHE A 236 -9.751 4.555 9.224 1.00 0.00 C ATOM 413 CZ PHE A 236 -8.758 4.370 8.283 1.00 0.00 C ATOM 0 H PHE A 236 -10.711 7.675 5.291 1.00 0.00 H new ATOM 0 HA PHE A 236 -12.953 8.611 6.984 1.00 0.00 H new ATOM 0 HB2 PHE A 236 -12.967 6.566 8.136 1.00 0.00 H new ATOM 0 HB3 PHE A 236 -12.801 6.081 6.460 1.00 0.00 H new ATOM 0 HD1 PHE A 236 -10.155 6.023 5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 236 -11.661 5.408 9.638 1.00 0.00 H new ATOM 0 HE1 PHE A 236 -8.130 4.758 6.278 1.00 0.00 H new ATOM 0 HE2 PHE A 236 -9.639 4.142 10.216 1.00 0.00 H new ATOM 0 HZ PHE A 236 -7.869 3.812 8.537 1.00 0.00 H new ATOM 423 N ALA A 237 -9.769 8.847 7.327 1.00 0.00 N ATOM 424 CA ALA A 237 -8.700 9.426 8.130 1.00 0.00 C ATOM 425 C ALA A 237 -8.170 10.710 7.501 1.00 0.00 C ATOM 426 O ALA A 237 -8.007 10.798 6.285 1.00 0.00 O ATOM 427 CB ALA A 237 -7.572 8.422 8.308 1.00 0.00 C ATOM 0 H ALA A 237 -9.498 8.605 6.374 1.00 0.00 H new ATOM 0 HA ALA A 237 -9.111 9.675 9.108 1.00 0.00 H new ATOM 0 HB1 ALA A 237 -6.780 8.868 8.910 1.00 0.00 H new ATOM 0 HB2 ALA A 237 -7.952 7.532 8.810 1.00 0.00 H new ATOM 0 HB3 ALA A 237 -7.174 8.145 7.332 1.00 0.00 H new ATOM 433 N LYS A 238 -7.904 11.706 8.342 1.00 0.00 N ATOM 434 CA LYS A 238 -7.390 12.987 7.869 1.00 0.00 C ATOM 435 C LYS A 238 -5.869 12.951 7.750 1.00 0.00 C ATOM 436 O LYS A 238 -5.176 12.500 8.661 1.00 0.00 O ATOM 437 CB LYS A 238 -7.812 14.110 8.819 1.00 0.00 C ATOM 438 CG LYS A 238 -7.225 13.979 10.215 1.00 0.00 C ATOM 439 CD LYS A 238 -8.060 14.728 11.242 1.00 0.00 C ATOM 440 CE LYS A 238 -7.431 16.064 11.606 1.00 0.00 C ATOM 441 NZ LYS A 238 -8.339 16.897 12.442 1.00 0.00 N ATOM 0 H LYS A 238 -8.036 11.651 9.352 1.00 0.00 H new ATOM 0 HA LYS A 238 -7.810 13.178 6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -7.508 15.067 8.395 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -8.900 14.124 8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -7.167 12.926 10.489 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -6.206 14.366 10.220 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -9.063 14.892 10.847 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -8.167 14.119 12.139 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -6.499 15.892 12.144 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -7.178 16.606 10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -7.873 17.799 12.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -9.219 17.083 11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -8.561 16.391 13.323 1.00 0.00 H new ATOM 455 N GLY A 239 -5.358 13.431 6.621 1.00 0.00 N ATOM 456 CA GLY A 239 -3.922 13.444 6.403 1.00 0.00 C ATOM 457 C GLY A 239 -3.487 12.469 5.328 1.00 0.00 C ATOM 458 O GLY A 239 -4.315 11.958 4.571 1.00 0.00 O ATOM 0 H GLY A 239 -5.912 13.811 5.853 1.00 0.00 H new ATOM 0 HA2 GLY A 239 -3.610 14.450 6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 239 -3.414 13.200 7.336 1.00 0.00 H new ATOM 462 N GLU A 240 -2.185 12.208 5.258 1.00 0.00 N ATOM 463 CA GLU A 240 -1.640 11.287 4.267 1.00 0.00 C ATOM 464 C GLU A 240 -1.452 9.897 4.862 1.00 0.00 C ATOM 465 O GLU A 240 -0.983 9.751 5.991 1.00 0.00 O ATOM 466 CB GLU A 240 -0.306 11.811 3.732 1.00 0.00 C ATOM 467 CG GLU A 240 0.784 11.893 4.787 1.00 0.00 C ATOM 468 CD GLU A 240 2.106 12.378 4.225 1.00 0.00 C ATOM 469 OE1 GLU A 240 2.086 13.258 3.339 1.00 0.00 O ATOM 470 OE2 GLU A 240 3.159 11.878 4.669 1.00 0.00 O ATOM 0 H GLU A 240 -1.488 12.622 5.877 1.00 0.00 H new ATOM 0 HA GLU A 240 -2.351 11.216 3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 240 0.031 11.163 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 240 -0.460 12.801 3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 240 0.464 12.565 5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 240 0.924 10.910 5.237 1.00 0.00 H new ATOM 477 N TRP A 241 -1.824 8.875 4.097 1.00 0.00 N ATOM 478 CA TRP A 241 -1.698 7.495 4.548 1.00 0.00 C ATOM 479 C TRP A 241 -1.076 6.622 3.462 1.00 0.00 C ATOM 480 O TRP A 241 -0.936 7.047 2.316 1.00 0.00 O ATOM 481 CB TRP A 241 -3.067 6.941 4.945 1.00 0.00 C ATOM 482 CG TRP A 241 -3.651 7.612 6.149 1.00 0.00 C ATOM 483 CD1 TRP A 241 -4.106 8.897 6.231 1.00 0.00 C ATOM 484 CD2 TRP A 241 -3.840 7.036 7.445 1.00 0.00 C ATOM 485 NE1 TRP A 241 -4.569 9.153 7.499 1.00 0.00 N ATOM 486 CE2 TRP A 241 -4.416 8.026 8.264 1.00 0.00 C ATOM 487 CE3 TRP A 241 -3.580 5.777 7.994 1.00 0.00 C ATOM 488 CZ2 TRP A 241 -4.735 7.795 9.600 1.00 0.00 C ATOM 489 CZ3 TRP A 241 -3.897 5.550 9.319 1.00 0.00 C ATOM 490 CH2 TRP A 241 -4.469 6.554 10.110 1.00 0.00 C ATOM 0 H TRP A 241 -2.216 8.978 3.161 1.00 0.00 H new ATOM 0 HA TRP A 241 -1.042 7.481 5.418 1.00 0.00 H new ATOM 0 HB2 TRP A 241 -3.754 7.053 4.106 1.00 0.00 H new ATOM 0 HB3 TRP A 241 -2.976 5.873 5.141 1.00 0.00 H new ATOM 0 HD1 TRP A 241 -4.102 9.608 5.418 1.00 0.00 H new ATOM 0 HE1 TRP A 241 -4.963 10.038 7.819 1.00 0.00 H new ATOM 0 HE3 TRP A 241 -3.139 4.996 7.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 241 -5.177 8.568 10.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 241 -3.700 4.581 9.753 1.00 0.00 H new ATOM 0 HH2 TRP A 241 -4.705 6.344 11.143 1.00 0.00 H new ATOM 501 N CYS A 242 -0.706 5.400 3.831 1.00 0.00 N ATOM 502 CA CYS A 242 -0.100 4.467 2.889 1.00 0.00 C ATOM 503 C CYS A 242 -0.731 3.084 3.008 1.00 0.00 C ATOM 504 O CYS A 242 -1.280 2.724 4.049 1.00 0.00 O ATOM 505 CB CYS A 242 1.412 4.379 3.124 1.00 0.00 C ATOM 506 SG CYS A 242 2.259 3.167 2.083 1.00 0.00 S ATOM 0 H CYS A 242 -0.815 5.033 4.776 1.00 0.00 H new ATOM 0 HA CYS A 242 -0.280 4.840 1.881 1.00 0.00 H new ATOM 0 HB2 CYS A 242 1.852 5.361 2.950 1.00 0.00 H new ATOM 0 HB3 CYS A 242 1.591 4.130 4.170 1.00 0.00 H new ATOM 0 HG CYS A 242 3.530 3.172 2.357 1.00 0.00 H new ATOM 512 N GLY A 243 -0.642 2.314 1.930 1.00 0.00 N ATOM 513 CA GLY A 243 -1.199 0.976 1.912 1.00 0.00 C ATOM 514 C GLY A 243 -0.130 -0.084 1.761 1.00 0.00 C ATOM 515 O GLY A 243 0.685 -0.024 0.840 1.00 0.00 O ATOM 0 H GLY A 243 -0.189 2.597 1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -1.753 0.802 2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -1.911 0.891 1.091 1.00 0.00 H new ATOM 519 N VAL A 244 -0.123 -1.053 2.667 1.00 0.00 N ATOM 520 CA VAL A 244 0.862 -2.126 2.626 1.00 0.00 C ATOM 521 C VAL A 244 0.190 -3.491 2.711 1.00 0.00 C ATOM 522 O VAL A 244 -0.661 -3.723 3.570 1.00 0.00 O ATOM 523 CB VAL A 244 1.883 -1.999 3.776 1.00 0.00 C ATOM 524 CG1 VAL A 244 3.102 -2.868 3.507 1.00 0.00 C ATOM 525 CG2 VAL A 244 2.294 -0.549 3.983 1.00 0.00 C ATOM 0 H VAL A 244 -0.787 -1.118 3.438 1.00 0.00 H new ATOM 0 HA VAL A 244 1.385 -2.037 1.674 1.00 0.00 H new ATOM 0 HB VAL A 244 1.405 -2.348 4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 244 3.811 -2.765 4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 244 2.794 -3.910 3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 244 3.576 -2.552 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 244 3.014 -0.488 4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 244 2.748 -0.165 3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 244 1.415 0.047 4.229 1.00 0.00 H new ATOM 535 N GLU A 245 0.587 -4.397 1.822 1.00 0.00 N ATOM 536 CA GLU A 245 0.032 -5.744 1.808 1.00 0.00 C ATOM 537 C GLU A 245 0.774 -6.622 2.806 1.00 0.00 C ATOM 538 O GLU A 245 1.951 -6.928 2.621 1.00 0.00 O ATOM 539 CB GLU A 245 0.129 -6.346 0.405 1.00 0.00 C ATOM 540 CG GLU A 245 -0.438 -7.753 0.307 1.00 0.00 C ATOM 541 CD GLU A 245 -0.930 -8.088 -1.088 1.00 0.00 C ATOM 542 OE1 GLU A 245 -0.522 -7.395 -2.043 1.00 0.00 O ATOM 543 OE2 GLU A 245 -1.723 -9.043 -1.224 1.00 0.00 O ATOM 0 H GLU A 245 1.290 -4.222 1.104 1.00 0.00 H new ATOM 0 HA GLU A 245 -1.019 -5.692 2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -0.400 -5.700 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 245 1.174 -6.362 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 245 0.328 -8.471 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -1.261 -7.859 1.014 1.00 0.00 H new ATOM 550 N LEU A 246 0.086 -7.010 3.871 1.00 0.00 N ATOM 551 CA LEU A 246 0.691 -7.835 4.908 1.00 0.00 C ATOM 552 C LEU A 246 1.011 -9.233 4.390 1.00 0.00 C ATOM 553 O LEU A 246 0.250 -9.813 3.617 1.00 0.00 O ATOM 554 CB LEU A 246 -0.236 -7.923 6.121 1.00 0.00 C ATOM 555 CG LEU A 246 -0.543 -6.586 6.797 1.00 0.00 C ATOM 556 CD1 LEU A 246 -1.529 -6.780 7.938 1.00 0.00 C ATOM 557 CD2 LEU A 246 0.738 -5.937 7.299 1.00 0.00 C ATOM 0 H LEU A 246 -0.890 -6.767 4.040 1.00 0.00 H new ATOM 0 HA LEU A 246 1.628 -7.364 5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -1.175 -8.380 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 246 0.214 -8.590 6.856 1.00 0.00 H new ATOM 0 HG LEU A 246 -0.998 -5.923 6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -1.736 -5.818 8.408 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -2.456 -7.201 7.550 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -1.103 -7.460 8.676 1.00 0.00 H new ATOM 0 HD21 LEU A 246 0.501 -4.987 7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 246 1.221 -6.596 8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 246 1.411 -5.763 6.459 1.00 0.00 H new ATOM 569 N ASP A 247 2.148 -9.764 4.827 1.00 0.00 N ATOM 570 CA ASP A 247 2.589 -11.092 4.418 1.00 0.00 C ATOM 571 C ASP A 247 1.685 -12.174 5.006 1.00 0.00 C ATOM 572 O ASP A 247 1.544 -13.254 4.434 1.00 0.00 O ATOM 573 CB ASP A 247 4.036 -11.323 4.857 1.00 0.00 C ATOM 574 CG ASP A 247 5.036 -10.674 3.919 1.00 0.00 C ATOM 575 OD1 ASP A 247 4.811 -10.717 2.690 1.00 0.00 O ATOM 576 OD2 ASP A 247 6.042 -10.125 4.413 1.00 0.00 O ATOM 0 H ASP A 247 2.784 -9.291 5.469 1.00 0.00 H new ATOM 0 HA ASP A 247 2.530 -11.151 3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 247 4.175 -10.927 5.863 1.00 0.00 H new ATOM 0 HB3 ASP A 247 4.231 -12.394 4.907 1.00 0.00 H new ATOM 581 N GLU A 248 1.077 -11.875 6.148 1.00 0.00 N ATOM 582 CA GLU A 248 0.186 -12.823 6.811 1.00 0.00 C ATOM 583 C GLU A 248 -1.102 -12.132 7.254 1.00 0.00 C ATOM 584 O GLU A 248 -1.193 -10.904 7.238 1.00 0.00 O ATOM 585 CB GLU A 248 0.889 -13.453 8.017 1.00 0.00 C ATOM 586 CG GLU A 248 1.405 -14.857 7.752 1.00 0.00 C ATOM 587 CD GLU A 248 2.747 -15.120 8.409 1.00 0.00 C ATOM 588 OE1 GLU A 248 3.537 -14.161 8.544 1.00 0.00 O ATOM 589 OE2 GLU A 248 3.006 -16.280 8.789 1.00 0.00 O ATOM 0 H GLU A 248 1.184 -10.985 6.635 1.00 0.00 H new ATOM 0 HA GLU A 248 -0.071 -13.609 6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 248 1.724 -12.818 8.314 1.00 0.00 H new ATOM 0 HB3 GLU A 248 0.196 -13.482 8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 248 0.678 -15.582 8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 248 1.495 -15.010 6.677 1.00 0.00 H new ATOM 596 N PRO A 249 -2.119 -12.914 7.657 1.00 0.00 N ATOM 597 CA PRO A 249 -3.405 -12.365 8.105 1.00 0.00 C ATOM 598 C PRO A 249 -3.274 -11.575 9.404 1.00 0.00 C ATOM 599 O PRO A 249 -3.767 -11.994 10.452 1.00 0.00 O ATOM 600 CB PRO A 249 -4.275 -13.608 8.317 1.00 0.00 C ATOM 601 CG PRO A 249 -3.309 -14.719 8.539 1.00 0.00 C ATOM 602 CD PRO A 249 -2.101 -14.387 7.709 1.00 0.00 C ATOM 0 HA PRO A 249 -3.820 -11.661 7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 249 -4.938 -13.484 9.173 1.00 0.00 H new ATOM 0 HB3 PRO A 249 -4.906 -13.801 7.450 1.00 0.00 H new ATOM 0 HG2 PRO A 249 -3.047 -14.804 9.594 1.00 0.00 H new ATOM 0 HG3 PRO A 249 -3.738 -15.675 8.239 1.00 0.00 H new ATOM 0 HD2 PRO A 249 -1.185 -14.762 8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 249 -2.164 -14.825 6.713 1.00 0.00 H new ATOM 610 N LEU A 250 -2.607 -10.429 9.326 1.00 0.00 N ATOM 611 CA LEU A 250 -2.409 -9.576 10.492 1.00 0.00 C ATOM 612 C LEU A 250 -2.882 -8.151 10.217 1.00 0.00 C ATOM 613 O LEU A 250 -2.389 -7.197 10.818 1.00 0.00 O ATOM 614 CB LEU A 250 -0.933 -9.564 10.895 1.00 0.00 C ATOM 615 CG LEU A 250 0.057 -9.531 9.725 1.00 0.00 C ATOM 616 CD1 LEU A 250 1.111 -8.456 9.942 1.00 0.00 C ATOM 617 CD2 LEU A 250 0.713 -10.891 9.545 1.00 0.00 C ATOM 0 H LEU A 250 -2.194 -10.069 8.466 1.00 0.00 H new ATOM 0 HA LEU A 250 -3.002 -9.983 11.311 1.00 0.00 H new ATOM 0 HB2 LEU A 250 -0.752 -8.696 11.529 1.00 0.00 H new ATOM 0 HB3 LEU A 250 -0.729 -10.448 11.499 1.00 0.00 H new ATOM 0 HG LEU A 250 -0.495 -9.290 8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 250 1.803 -8.450 9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.627 -7.483 10.021 1.00 0.00 H new ATOM 0 HD13 LEU A 250 1.659 -8.664 10.861 1.00 0.00 H new ATOM 0 HD21 LEU A 250 1.413 -10.850 8.710 1.00 0.00 H new ATOM 0 HD22 LEU A 250 1.249 -11.160 10.455 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -0.052 -11.640 9.340 1.00 0.00 H new ATOM 629 N GLY A 251 -3.842 -8.013 9.307 1.00 0.00 N ATOM 630 CA GLY A 251 -4.361 -6.699 8.972 1.00 0.00 C ATOM 631 C GLY A 251 -5.781 -6.497 9.459 1.00 0.00 C ATOM 632 O GLY A 251 -6.244 -7.200 10.357 1.00 0.00 O ATOM 0 H GLY A 251 -4.269 -8.786 8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 251 -3.718 -5.935 9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 251 -4.328 -6.563 7.891 1.00 0.00 H new ATOM 636 N LYS A 252 -6.478 -5.531 8.868 1.00 0.00 N ATOM 637 CA LYS A 252 -7.854 -5.237 9.251 1.00 0.00 C ATOM 638 C LYS A 252 -8.786 -5.273 8.043 1.00 0.00 C ATOM 639 O LYS A 252 -9.923 -5.735 8.137 1.00 0.00 O ATOM 640 CB LYS A 252 -7.936 -3.867 9.928 1.00 0.00 C ATOM 641 CG LYS A 252 -6.831 -3.622 10.942 1.00 0.00 C ATOM 642 CD LYS A 252 -7.103 -4.350 12.250 1.00 0.00 C ATOM 643 CE LYS A 252 -5.812 -4.695 12.973 1.00 0.00 C ATOM 644 NZ LYS A 252 -5.894 -6.018 13.653 1.00 0.00 N ATOM 0 H LYS A 252 -6.112 -4.939 8.122 1.00 0.00 H new ATOM 0 HA LYS A 252 -8.175 -6.006 9.953 1.00 0.00 H new ATOM 0 HB2 LYS A 252 -7.895 -3.091 9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 252 -8.901 -3.774 10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 252 -5.878 -3.955 10.531 1.00 0.00 H new ATOM 0 HG3 LYS A 252 -6.740 -2.552 11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 252 -7.726 -3.727 12.892 1.00 0.00 H new ATOM 0 HD3 LYS A 252 -7.665 -5.263 12.050 1.00 0.00 H new ATOM 0 HE2 LYS A 252 -4.988 -4.703 12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 252 -5.590 -3.922 13.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 -4.994 -6.217 14.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 -6.664 -6.002 14.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 -6.081 -6.760 12.948 1.00 0.00 H new ATOM 658 N ASN A 253 -8.299 -4.782 6.905 1.00 0.00 N ATOM 659 CA ASN A 253 -9.095 -4.760 5.682 1.00 0.00 C ATOM 660 C ASN A 253 -8.437 -5.593 4.586 1.00 0.00 C ATOM 661 O ASN A 253 -7.277 -5.989 4.702 1.00 0.00 O ATOM 662 CB ASN A 253 -9.287 -3.320 5.199 1.00 0.00 C ATOM 663 CG ASN A 253 -7.983 -2.672 4.773 1.00 0.00 C ATOM 664 OD1 ASN A 253 -7.715 -2.513 3.582 1.00 0.00 O ATOM 665 ND2 ASN A 253 -7.165 -2.293 5.748 1.00 0.00 N ATOM 0 H ASN A 253 -7.360 -4.396 6.805 1.00 0.00 H new ATOM 0 HA ASN A 253 -10.069 -5.194 5.906 1.00 0.00 H new ATOM 0 HB2 ASN A 253 -9.984 -3.311 4.361 1.00 0.00 H new ATOM 0 HB3 ASN A 253 -9.739 -2.730 5.996 1.00 0.00 H new ATOM 0 HD21 ASN A 253 -6.274 -1.850 5.523 1.00 0.00 H new ATOM 0 HD22 ASN A 253 -7.428 -2.444 6.722 1.00 0.00 H new ATOM 672 N ASP A 254 -9.189 -5.856 3.522 1.00 0.00 N ATOM 673 CA ASP A 254 -8.684 -6.641 2.401 1.00 0.00 C ATOM 674 C ASP A 254 -8.209 -5.736 1.266 1.00 0.00 C ATOM 675 O ASP A 254 -8.195 -6.139 0.103 1.00 0.00 O ATOM 676 CB ASP A 254 -9.766 -7.594 1.889 1.00 0.00 C ATOM 677 CG ASP A 254 -10.995 -6.858 1.391 1.00 0.00 C ATOM 678 OD1 ASP A 254 -10.845 -5.969 0.526 1.00 0.00 O ATOM 679 OD2 ASP A 254 -12.108 -7.171 1.863 1.00 0.00 O ATOM 0 H ASP A 254 -10.151 -5.537 3.412 1.00 0.00 H new ATOM 0 HA ASP A 254 -7.833 -7.223 2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 254 -9.358 -8.203 1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 254 -10.054 -8.276 2.689 1.00 0.00 H new ATOM 684 N GLY A 255 -7.821 -4.511 1.611 1.00 0.00 N ATOM 685 CA GLY A 255 -7.350 -3.573 0.609 1.00 0.00 C ATOM 686 C GLY A 255 -8.368 -2.492 0.293 1.00 0.00 C ATOM 687 O GLY A 255 -8.294 -1.849 -0.755 1.00 0.00 O ATOM 0 H GLY A 255 -7.825 -4.152 2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 255 -6.428 -3.107 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 255 -7.107 -4.115 -0.305 1.00 0.00 H new ATOM 691 N ALA A 256 -9.319 -2.290 1.199 1.00 0.00 N ATOM 692 CA ALA A 256 -10.351 -1.278 1.006 1.00 0.00 C ATOM 693 C ALA A 256 -10.620 -0.513 2.296 1.00 0.00 C ATOM 694 O ALA A 256 -10.313 -0.990 3.389 1.00 0.00 O ATOM 695 CB ALA A 256 -11.631 -1.921 0.494 1.00 0.00 C ATOM 0 H ALA A 256 -9.396 -2.812 2.072 1.00 0.00 H new ATOM 0 HA ALA A 256 -9.992 -0.567 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 256 -12.393 -1.154 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 256 -11.435 -2.415 -0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 256 -11.984 -2.655 1.218 1.00 0.00 H new ATOM 701 N VAL A 257 -11.193 0.680 2.162 1.00 0.00 N ATOM 702 CA VAL A 257 -11.501 1.514 3.316 1.00 0.00 C ATOM 703 C VAL A 257 -12.801 2.285 3.105 1.00 0.00 C ATOM 704 O VAL A 257 -12.931 3.054 2.154 1.00 0.00 O ATOM 705 CB VAL A 257 -10.363 2.513 3.605 1.00 0.00 C ATOM 706 CG1 VAL A 257 -10.673 3.344 4.844 1.00 0.00 C ATOM 707 CG2 VAL A 257 -9.038 1.781 3.762 1.00 0.00 C ATOM 0 H VAL A 257 -11.453 1.089 1.265 1.00 0.00 H new ATOM 0 HA VAL A 257 -11.613 0.846 4.170 1.00 0.00 H new ATOM 0 HB VAL A 257 -10.280 3.192 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -9.856 4.042 5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -11.597 3.901 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -10.788 2.685 5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -8.246 2.502 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -9.108 1.075 4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -8.810 1.241 2.843 1.00 0.00 H new ATOM 717 N ALA A 258 -13.759 2.074 4.002 1.00 0.00 N ATOM 718 CA ALA A 258 -15.048 2.751 3.920 1.00 0.00 C ATOM 719 C ALA A 258 -15.732 2.487 2.582 1.00 0.00 C ATOM 720 O ALA A 258 -16.554 3.284 2.127 1.00 0.00 O ATOM 721 CB ALA A 258 -14.872 4.246 4.137 1.00 0.00 C ATOM 0 H ALA A 258 -13.667 1.439 4.795 1.00 0.00 H new ATOM 0 HA ALA A 258 -15.687 2.350 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 258 -15.842 4.740 4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 258 -14.439 4.422 5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 258 -14.209 4.649 3.372 1.00 0.00 H new ATOM 727 N GLY A 259 -15.387 1.367 1.953 1.00 0.00 N ATOM 728 CA GLY A 259 -15.981 1.026 0.673 1.00 0.00 C ATOM 729 C GLY A 259 -15.110 1.424 -0.505 1.00 0.00 C ATOM 730 O GLY A 259 -15.427 1.104 -1.650 1.00 0.00 O ATOM 0 H GLY A 259 -14.709 0.692 2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -16.164 -0.048 0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -16.950 1.517 0.585 1.00 0.00 H new ATOM 734 N THR A 260 -14.012 2.121 -0.228 1.00 0.00 N ATOM 735 CA THR A 260 -13.100 2.556 -1.279 1.00 0.00 C ATOM 736 C THR A 260 -11.864 1.666 -1.329 1.00 0.00 C ATOM 737 O THR A 260 -11.093 1.602 -0.370 1.00 0.00 O ATOM 738 CB THR A 260 -12.686 4.012 -1.055 1.00 0.00 C ATOM 739 OG1 THR A 260 -13.825 4.845 -0.937 1.00 0.00 O ATOM 740 CG2 THR A 260 -11.824 4.567 -2.168 1.00 0.00 C ATOM 0 H THR A 260 -13.733 2.396 0.714 1.00 0.00 H new ATOM 0 HA THR A 260 -13.621 2.477 -2.233 1.00 0.00 H new ATOM 0 HB THR A 260 -12.103 4.008 -0.134 1.00 0.00 H new ATOM 0 HG1 THR A 260 -13.539 5.771 -0.793 1.00 0.00 H new ATOM 0 HG21 THR A 260 -11.566 5.603 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 260 -10.912 3.976 -2.251 1.00 0.00 H new ATOM 0 HG23 THR A 260 -12.372 4.523 -3.109 1.00 0.00 H new ATOM 748 N ARG A 261 -11.678 0.979 -2.451 1.00 0.00 N ATOM 749 CA ARG A 261 -10.534 0.092 -2.623 1.00 0.00 C ATOM 750 C ARG A 261 -9.349 0.845 -3.220 1.00 0.00 C ATOM 751 O ARG A 261 -9.436 1.385 -4.322 1.00 0.00 O ATOM 752 CB ARG A 261 -10.907 -1.090 -3.520 1.00 0.00 C ATOM 753 CG ARG A 261 -9.766 -2.067 -3.744 1.00 0.00 C ATOM 754 CD ARG A 261 -10.172 -3.191 -4.684 1.00 0.00 C ATOM 755 NE ARG A 261 -9.959 -2.836 -6.086 1.00 0.00 N ATOM 756 CZ ARG A 261 -10.518 -3.483 -7.107 1.00 0.00 C ATOM 757 NH1 ARG A 261 -11.321 -4.517 -6.888 1.00 0.00 N ATOM 758 NH2 ARG A 261 -10.272 -3.095 -8.350 1.00 0.00 N ATOM 0 H ARG A 261 -12.305 1.020 -3.255 1.00 0.00 H new ATOM 0 HA ARG A 261 -10.246 -0.284 -1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -11.748 -1.622 -3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -11.244 -0.711 -4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -8.908 -1.537 -4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -9.451 -2.486 -2.788 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -9.599 -4.087 -4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -11.223 -3.433 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 261 -9.347 -2.047 -6.294 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -11.513 -4.820 -5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -11.746 -5.008 -7.674 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -9.655 -2.302 -8.524 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -10.700 -3.590 -9.133 1.00 0.00 H new ATOM 772 N TYR A 262 -8.243 0.875 -2.485 1.00 0.00 N ATOM 773 CA TYR A 262 -7.041 1.563 -2.943 1.00 0.00 C ATOM 774 C TYR A 262 -6.113 0.599 -3.676 1.00 0.00 C ATOM 775 O TYR A 262 -5.453 0.974 -4.645 1.00 0.00 O ATOM 776 CB TYR A 262 -6.311 2.198 -1.758 1.00 0.00 C ATOM 777 CG TYR A 262 -7.076 3.331 -1.112 1.00 0.00 C ATOM 778 CD1 TYR A 262 -8.174 3.080 -0.297 1.00 0.00 C ATOM 779 CD2 TYR A 262 -6.702 4.653 -1.319 1.00 0.00 C ATOM 780 CE1 TYR A 262 -8.876 4.113 0.293 1.00 0.00 C ATOM 781 CE2 TYR A 262 -7.400 5.691 -0.732 1.00 0.00 C ATOM 782 CZ TYR A 262 -8.486 5.415 0.072 1.00 0.00 C ATOM 783 OH TYR A 262 -9.183 6.447 0.658 1.00 0.00 O ATOM 0 H TYR A 262 -8.153 0.432 -1.571 1.00 0.00 H new ATOM 0 HA TYR A 262 -7.339 2.349 -3.637 1.00 0.00 H new ATOM 0 HB2 TYR A 262 -6.114 1.430 -1.010 1.00 0.00 H new ATOM 0 HB3 TYR A 262 -5.343 2.570 -2.095 1.00 0.00 H new ATOM 0 HD1 TYR A 262 -8.483 2.060 -0.122 1.00 0.00 H new ATOM 0 HD2 TYR A 262 -5.852 4.873 -1.949 1.00 0.00 H new ATOM 0 HE1 TYR A 262 -9.726 3.901 0.924 1.00 0.00 H new ATOM 0 HE2 TYR A 262 -7.097 6.713 -0.902 1.00 0.00 H new ATOM 0 HH TYR A 262 -9.919 6.083 1.193 1.00 0.00 H new ATOM 793 N PHE A 263 -6.071 -0.643 -3.209 1.00 0.00 N ATOM 794 CA PHE A 263 -5.230 -1.665 -3.820 1.00 0.00 C ATOM 795 C PHE A 263 -5.834 -3.051 -3.622 1.00 0.00 C ATOM 796 O PHE A 263 -6.756 -3.227 -2.825 1.00 0.00 O ATOM 797 CB PHE A 263 -3.818 -1.617 -3.228 1.00 0.00 C ATOM 798 CG PHE A 263 -3.796 -1.486 -1.732 1.00 0.00 C ATOM 799 CD1 PHE A 263 -4.007 -0.257 -1.129 1.00 0.00 C ATOM 800 CD2 PHE A 263 -3.562 -2.592 -0.930 1.00 0.00 C ATOM 801 CE1 PHE A 263 -3.985 -0.133 0.247 1.00 0.00 C ATOM 802 CE2 PHE A 263 -3.539 -2.472 0.446 1.00 0.00 C ATOM 803 CZ PHE A 263 -3.750 -1.242 1.035 1.00 0.00 C ATOM 0 H PHE A 263 -6.611 -0.967 -2.407 1.00 0.00 H new ATOM 0 HA PHE A 263 -5.171 -1.463 -4.890 1.00 0.00 H new ATOM 0 HB2 PHE A 263 -3.283 -2.523 -3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 263 -3.278 -0.777 -3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 263 -4.191 0.614 -1.741 1.00 0.00 H new ATOM 0 HD2 PHE A 263 -3.396 -3.557 -1.385 1.00 0.00 H new ATOM 0 HE1 PHE A 263 -4.151 0.831 0.706 1.00 0.00 H new ATOM 0 HE2 PHE A 263 -3.356 -3.341 1.061 1.00 0.00 H new ATOM 0 HZ PHE A 263 -3.731 -1.147 2.111 1.00 0.00 H new ATOM 813 N GLN A 264 -5.314 -4.032 -4.352 1.00 0.00 N ATOM 814 CA GLN A 264 -5.808 -5.400 -4.254 1.00 0.00 C ATOM 815 C GLN A 264 -4.840 -6.279 -3.470 1.00 0.00 C ATOM 816 O GLN A 264 -3.640 -6.299 -3.745 1.00 0.00 O ATOM 817 CB GLN A 264 -6.031 -5.985 -5.650 1.00 0.00 C ATOM 818 CG GLN A 264 -6.715 -7.342 -5.639 1.00 0.00 C ATOM 819 CD GLN A 264 -8.209 -7.240 -5.410 1.00 0.00 C ATOM 820 OE1 GLN A 264 -8.990 -7.138 -6.357 1.00 0.00 O ATOM 821 NE2 GLN A 264 -8.617 -7.266 -4.145 1.00 0.00 N ATOM 0 H GLN A 264 -4.551 -3.905 -5.017 1.00 0.00 H new ATOM 0 HA GLN A 264 -6.758 -5.376 -3.720 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -6.633 -5.289 -6.235 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -5.069 -6.076 -6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -6.530 -7.845 -6.588 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -6.273 -7.961 -4.858 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -7.935 -7.352 -3.391 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -9.612 -7.200 -3.928 1.00 0.00 H new ATOM 830 N CYS A 265 -5.371 -7.007 -2.492 1.00 0.00 N ATOM 831 CA CYS A 265 -4.555 -7.890 -1.668 1.00 0.00 C ATOM 832 C CYS A 265 -5.394 -9.028 -1.092 1.00 0.00 C ATOM 833 O CYS A 265 -6.624 -8.974 -1.107 1.00 0.00 O ATOM 834 CB CYS A 265 -3.898 -7.103 -0.534 1.00 0.00 C ATOM 835 SG CYS A 265 -5.055 -6.121 0.450 1.00 0.00 S ATOM 0 H CYS A 265 -6.362 -7.002 -2.252 1.00 0.00 H new ATOM 0 HA CYS A 265 -3.778 -8.319 -2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -3.378 -7.800 0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -3.143 -6.440 -0.956 1.00 0.00 H new ATOM 0 HG CYS A 265 -6.259 -6.276 -0.014 1.00 0.00 H new ATOM 841 N GLN A 266 -4.721 -10.054 -0.584 1.00 0.00 N ATOM 842 CA GLN A 266 -5.401 -11.205 0.000 1.00 0.00 C ATOM 843 C GLN A 266 -6.260 -10.782 1.189 1.00 0.00 C ATOM 844 O GLN A 266 -6.109 -9.677 1.711 1.00 0.00 O ATOM 845 CB GLN A 266 -4.381 -12.255 0.444 1.00 0.00 C ATOM 846 CG GLN A 266 -4.066 -13.288 -0.626 1.00 0.00 C ATOM 847 CD GLN A 266 -3.359 -14.508 -0.068 1.00 0.00 C ATOM 848 OE1 GLN A 266 -2.283 -14.884 -0.533 1.00 0.00 O ATOM 849 NE2 GLN A 266 -3.965 -15.134 0.934 1.00 0.00 N ATOM 0 H GLN A 266 -3.703 -10.113 -0.565 1.00 0.00 H new ATOM 0 HA GLN A 266 -6.050 -11.637 -0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 266 -3.458 -11.753 0.735 1.00 0.00 H new ATOM 0 HB3 GLN A 266 -4.759 -12.765 1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 266 -4.992 -13.599 -1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 266 -3.443 -12.831 -1.395 1.00 0.00 H new ATOM 0 HE21 GLN A 266 -4.856 -14.787 1.288 1.00 0.00 H new ATOM 0 HE22 GLN A 266 -3.539 -15.962 1.350 1.00 0.00 H new ATOM 858 N PRO A 267 -7.175 -11.658 1.639 1.00 0.00 N ATOM 859 CA PRO A 267 -8.052 -11.364 2.776 1.00 0.00 C ATOM 860 C PRO A 267 -7.260 -11.122 4.058 1.00 0.00 C ATOM 861 O PRO A 267 -6.399 -11.920 4.426 1.00 0.00 O ATOM 862 CB PRO A 267 -8.915 -12.623 2.910 1.00 0.00 C ATOM 863 CG PRO A 267 -8.161 -13.690 2.193 1.00 0.00 C ATOM 864 CD PRO A 267 -7.426 -12.999 1.083 1.00 0.00 C ATOM 0 HA PRO A 267 -8.634 -10.456 2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -9.070 -12.885 3.957 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -9.901 -12.474 2.470 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -7.468 -14.197 2.864 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -8.837 -14.449 1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -6.498 -13.512 0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -8.022 -12.953 0.171 1.00 0.00 H new ATOM 872 N LYS A 268 -7.558 -10.014 4.729 1.00 0.00 N ATOM 873 CA LYS A 268 -6.873 -9.662 5.969 1.00 0.00 C ATOM 874 C LYS A 268 -5.384 -9.417 5.729 1.00 0.00 C ATOM 875 O LYS A 268 -4.581 -9.475 6.660 1.00 0.00 O ATOM 876 CB LYS A 268 -7.059 -10.764 7.015 1.00 0.00 C ATOM 877 CG LYS A 268 -8.502 -10.943 7.459 1.00 0.00 C ATOM 878 CD LYS A 268 -8.962 -9.790 8.341 1.00 0.00 C ATOM 879 CE LYS A 268 -10.090 -9.005 7.689 1.00 0.00 C ATOM 880 NZ LYS A 268 -11.429 -9.495 8.121 1.00 0.00 N ATOM 0 H LYS A 268 -8.269 -9.344 4.435 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.316 -8.738 6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -6.693 -11.706 6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -6.445 -10.534 7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -9.147 -11.012 6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -8.602 -11.882 8.004 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -9.296 -10.178 9.303 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -8.122 -9.125 8.540 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -9.991 -7.949 7.941 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -10.007 -9.083 6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -12.171 -8.935 7.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -11.534 -10.496 7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -11.518 -9.397 9.153 1.00 0.00 H new ATOM 894 N TYR A 269 -5.021 -9.139 4.480 1.00 0.00 N ATOM 895 CA TYR A 269 -3.628 -8.881 4.127 1.00 0.00 C ATOM 896 C TYR A 269 -3.426 -7.420 3.733 1.00 0.00 C ATOM 897 O TYR A 269 -2.463 -7.083 3.046 1.00 0.00 O ATOM 898 CB TYR A 269 -3.187 -9.788 2.976 1.00 0.00 C ATOM 899 CG TYR A 269 -2.700 -11.148 3.420 1.00 0.00 C ATOM 900 CD1 TYR A 269 -3.375 -11.867 4.398 1.00 0.00 C ATOM 901 CD2 TYR A 269 -1.565 -11.718 2.855 1.00 0.00 C ATOM 902 CE1 TYR A 269 -2.933 -13.111 4.802 1.00 0.00 C ATOM 903 CE2 TYR A 269 -1.117 -12.962 3.255 1.00 0.00 C ATOM 904 CZ TYR A 269 -1.804 -13.654 4.228 1.00 0.00 C ATOM 905 OH TYR A 269 -1.361 -14.894 4.629 1.00 0.00 O ATOM 0 H TYR A 269 -5.671 -9.087 3.696 1.00 0.00 H new ATOM 0 HA TYR A 269 -3.018 -9.095 5.005 1.00 0.00 H new ATOM 0 HB2 TYR A 269 -4.023 -9.919 2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 269 -2.392 -9.292 2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 269 -4.261 -11.446 4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 269 -1.025 -11.179 2.091 1.00 0.00 H new ATOM 0 HE1 TYR A 269 -3.470 -13.656 5.564 1.00 0.00 H new ATOM 0 HE2 TYR A 269 -0.232 -13.390 2.807 1.00 0.00 H new ATOM 0 HH TYR A 269 -0.554 -15.132 4.126 1.00 0.00 H new ATOM 915 N GLY A 270 -4.340 -6.556 4.167 1.00 0.00 N ATOM 916 CA GLY A 270 -4.237 -5.145 3.842 1.00 0.00 C ATOM 917 C GLY A 270 -4.235 -4.264 5.076 1.00 0.00 C ATOM 918 O GLY A 270 -5.125 -4.362 5.920 1.00 0.00 O ATOM 0 H GLY A 270 -5.148 -6.808 4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -3.323 -4.972 3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -5.070 -4.862 3.199 1.00 0.00 H new ATOM 922 N LEU A 271 -3.231 -3.399 5.178 1.00 0.00 N ATOM 923 CA LEU A 271 -3.113 -2.495 6.315 1.00 0.00 C ATOM 924 C LEU A 271 -2.822 -1.073 5.846 1.00 0.00 C ATOM 925 O LEU A 271 -1.964 -0.854 4.991 1.00 0.00 O ATOM 926 CB LEU A 271 -2.011 -2.972 7.262 1.00 0.00 C ATOM 927 CG LEU A 271 -2.201 -2.582 8.728 1.00 0.00 C ATOM 928 CD1 LEU A 271 -3.430 -3.267 9.309 1.00 0.00 C ATOM 929 CD2 LEU A 271 -0.960 -2.931 9.538 1.00 0.00 C ATOM 0 H LEU A 271 -2.487 -3.305 4.486 1.00 0.00 H new ATOM 0 HA LEU A 271 -4.062 -2.495 6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -1.943 -4.058 7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -1.058 -2.571 6.916 1.00 0.00 H new ATOM 0 HG LEU A 271 -2.353 -1.504 8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -3.549 -2.977 10.353 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -4.314 -2.967 8.746 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -3.309 -4.348 9.244 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -1.113 -2.646 10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -0.776 -4.004 9.478 1.00 0.00 H new ATOM 0 HD23 LEU A 271 -0.101 -2.393 9.137 1.00 0.00 H new ATOM 941 N PHE A 272 -3.549 -0.110 6.404 1.00 0.00 N ATOM 942 CA PHE A 272 -3.375 1.291 6.036 1.00 0.00 C ATOM 943 C PHE A 272 -2.694 2.072 7.157 1.00 0.00 C ATOM 944 O PHE A 272 -3.276 2.276 8.219 1.00 0.00 O ATOM 945 CB PHE A 272 -4.733 1.925 5.727 1.00 0.00 C ATOM 946 CG PHE A 272 -5.286 1.549 4.381 1.00 0.00 C ATOM 947 CD1 PHE A 272 -5.399 0.218 4.010 1.00 0.00 C ATOM 948 CD2 PHE A 272 -5.699 2.527 3.491 1.00 0.00 C ATOM 949 CE1 PHE A 272 -5.912 -0.128 2.775 1.00 0.00 C ATOM 950 CE2 PHE A 272 -6.212 2.186 2.253 1.00 0.00 C ATOM 951 CZ PHE A 272 -6.320 0.856 1.896 1.00 0.00 C ATOM 0 H PHE A 272 -4.264 -0.274 7.113 1.00 0.00 H new ATOM 0 HA PHE A 272 -2.742 1.330 5.150 1.00 0.00 H new ATOM 0 HB2 PHE A 272 -5.445 1.629 6.497 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -4.638 3.010 5.780 1.00 0.00 H new ATOM 0 HD1 PHE A 272 -5.083 -0.556 4.693 1.00 0.00 H new ATOM 0 HD2 PHE A 272 -5.619 3.568 3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 272 -5.994 -1.168 2.497 1.00 0.00 H new ATOM 0 HE2 PHE A 272 -6.528 2.958 1.567 1.00 0.00 H new ATOM 0 HZ PHE A 272 -6.723 0.586 0.931 1.00 0.00 H new ATOM 961 N ALA A 273 -1.465 2.520 6.908 1.00 0.00 N ATOM 962 CA ALA A 273 -0.722 3.292 7.900 1.00 0.00 C ATOM 963 C ALA A 273 0.068 4.420 7.241 1.00 0.00 C ATOM 964 O ALA A 273 0.491 4.307 6.091 1.00 0.00 O ATOM 965 CB ALA A 273 0.213 2.395 8.700 1.00 0.00 C ATOM 0 H ALA A 273 -0.965 2.363 6.033 1.00 0.00 H new ATOM 0 HA ALA A 273 -1.448 3.734 8.583 1.00 0.00 H new ATOM 0 HB1 ALA A 273 0.755 2.994 9.432 1.00 0.00 H new ATOM 0 HB2 ALA A 273 -0.369 1.631 9.216 1.00 0.00 H new ATOM 0 HB3 ALA A 273 0.923 1.917 8.026 1.00 0.00 H new ATOM 971 N PRO A 274 0.275 5.529 7.970 1.00 0.00 N ATOM 972 CA PRO A 274 1.015 6.688 7.466 1.00 0.00 C ATOM 973 C PRO A 274 2.350 6.302 6.839 1.00 0.00 C ATOM 974 O PRO A 274 2.861 5.206 7.068 1.00 0.00 O ATOM 975 CB PRO A 274 1.253 7.530 8.717 1.00 0.00 C ATOM 976 CG PRO A 274 0.147 7.166 9.644 1.00 0.00 C ATOM 977 CD PRO A 274 -0.202 5.733 9.350 1.00 0.00 C ATOM 0 HA PRO A 274 0.465 7.204 6.679 1.00 0.00 H new ATOM 0 HB2 PRO A 274 2.226 7.313 9.159 1.00 0.00 H new ATOM 0 HB3 PRO A 274 1.238 8.595 8.484 1.00 0.00 H new ATOM 0 HG2 PRO A 274 0.456 7.285 10.682 1.00 0.00 H new ATOM 0 HG3 PRO A 274 -0.716 7.814 9.492 1.00 0.00 H new ATOM 0 HD2 PRO A 274 0.286 5.052 10.047 1.00 0.00 H new ATOM 0 HD3 PRO A 274 -1.275 5.558 9.432 1.00 0.00 H new ATOM 985 N VAL A 275 2.914 7.214 6.056 1.00 0.00 N ATOM 986 CA VAL A 275 4.199 6.971 5.405 1.00 0.00 C ATOM 987 C VAL A 275 5.315 6.920 6.435 1.00 0.00 C ATOM 988 O VAL A 275 6.176 6.041 6.395 1.00 0.00 O ATOM 989 CB VAL A 275 4.558 8.055 4.360 1.00 0.00 C ATOM 990 CG1 VAL A 275 5.174 7.419 3.124 1.00 0.00 C ATOM 991 CG2 VAL A 275 3.347 8.892 3.983 1.00 0.00 C ATOM 0 H VAL A 275 2.504 8.126 5.856 1.00 0.00 H new ATOM 0 HA VAL A 275 4.099 6.015 4.891 1.00 0.00 H new ATOM 0 HB VAL A 275 5.291 8.722 4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 275 5.420 8.195 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 275 6.081 6.883 3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 275 4.463 6.722 2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 275 3.638 9.642 3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 275 2.577 8.248 3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 275 2.956 9.388 4.872 1.00 0.00 H new ATOM 1001 N HIS A 276 5.298 7.878 7.355 1.00 0.00 N ATOM 1002 CA HIS A 276 6.314 7.950 8.393 1.00 0.00 C ATOM 1003 C HIS A 276 6.222 6.756 9.339 1.00 0.00 C ATOM 1004 O HIS A 276 7.211 6.368 9.959 1.00 0.00 O ATOM 1005 CB HIS A 276 6.196 9.260 9.179 1.00 0.00 C ATOM 1006 CG HIS A 276 4.788 9.635 9.532 1.00 0.00 C ATOM 1007 ND1 HIS A 276 4.286 10.908 9.360 1.00 0.00 N ATOM 1008 CD2 HIS A 276 3.776 8.900 10.052 1.00 0.00 C ATOM 1009 CE1 HIS A 276 3.027 10.939 9.762 1.00 0.00 C ATOM 1010 NE2 HIS A 276 2.694 9.735 10.184 1.00 0.00 N ATOM 0 H HIS A 276 4.592 8.613 7.401 1.00 0.00 H new ATOM 0 HA HIS A 276 7.288 7.923 7.905 1.00 0.00 H new ATOM 0 HB2 HIS A 276 6.779 9.175 10.096 1.00 0.00 H new ATOM 0 HB3 HIS A 276 6.639 10.065 8.592 1.00 0.00 H new ATOM 0 HD2 HIS A 276 3.813 7.853 10.314 1.00 0.00 H new ATOM 0 HE1 HIS A 276 2.381 11.804 9.747 1.00 0.00 H new ATOM 0 HE2 HIS A 276 1.780 9.467 10.549 1.00 0.00 H new ATOM 1019 N LYS A 277 5.030 6.170 9.442 1.00 0.00 N ATOM 1020 CA LYS A 277 4.822 5.016 10.308 1.00 0.00 C ATOM 1021 C LYS A 277 5.347 3.743 9.660 1.00 0.00 C ATOM 1022 O LYS A 277 5.617 2.754 10.343 1.00 0.00 O ATOM 1023 CB LYS A 277 3.339 4.852 10.640 1.00 0.00 C ATOM 1024 CG LYS A 277 2.865 5.746 11.773 1.00 0.00 C ATOM 1025 CD LYS A 277 2.607 4.940 13.036 1.00 0.00 C ATOM 1026 CE LYS A 277 3.010 5.709 14.286 1.00 0.00 C ATOM 1027 NZ LYS A 277 2.611 7.141 14.211 1.00 0.00 N ATOM 0 H LYS A 277 4.198 6.476 8.938 1.00 0.00 H new ATOM 0 HA LYS A 277 5.376 5.191 11.230 1.00 0.00 H new ATOM 0 HB2 LYS A 277 2.750 5.067 9.748 1.00 0.00 H new ATOM 0 HB3 LYS A 277 3.148 3.812 10.905 1.00 0.00 H new ATOM 0 HG2 LYS A 277 3.614 6.512 11.974 1.00 0.00 H new ATOM 0 HG3 LYS A 277 1.953 6.263 11.475 1.00 0.00 H new ATOM 0 HD2 LYS A 277 1.550 4.681 13.093 1.00 0.00 H new ATOM 0 HD3 LYS A 277 3.163 4.003 12.990 1.00 0.00 H new ATOM 0 HE2 LYS A 277 2.548 5.249 15.160 1.00 0.00 H new ATOM 0 HE3 LYS A 277 4.089 5.640 14.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 277 3.453 7.728 14.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 277 1.935 7.273 13.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 277 2.166 7.425 15.107 1.00 0.00 H new ATOM 1041 N VAL A 278 5.496 3.771 8.341 1.00 0.00 N ATOM 1042 CA VAL A 278 5.996 2.612 7.615 1.00 0.00 C ATOM 1043 C VAL A 278 7.501 2.705 7.409 1.00 0.00 C ATOM 1044 O VAL A 278 8.033 3.767 7.091 1.00 0.00 O ATOM 1045 CB VAL A 278 5.311 2.450 6.246 1.00 0.00 C ATOM 1046 CG1 VAL A 278 5.694 1.123 5.620 1.00 0.00 C ATOM 1047 CG2 VAL A 278 3.800 2.559 6.378 1.00 0.00 C ATOM 0 H VAL A 278 5.279 4.578 7.756 1.00 0.00 H new ATOM 0 HA VAL A 278 5.763 1.740 8.226 1.00 0.00 H new ATOM 0 HB VAL A 278 5.653 3.256 5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 278 5.202 1.022 4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 278 6.775 1.083 5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 278 5.380 0.309 6.273 1.00 0.00 H new ATOM 0 HG21 VAL A 278 3.340 2.441 5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 278 3.436 1.778 7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 278 3.540 3.536 6.786 1.00 0.00 H new ATOM 1057 N THR A 279 8.184 1.582 7.602 1.00 0.00 N ATOM 1058 CA THR A 279 9.631 1.532 7.443 1.00 0.00 C ATOM 1059 C THR A 279 10.042 0.373 6.541 1.00 0.00 C ATOM 1060 O THR A 279 9.465 -0.712 6.607 1.00 0.00 O ATOM 1061 CB THR A 279 10.306 1.396 8.809 1.00 0.00 C ATOM 1062 OG1 THR A 279 9.412 1.752 9.849 1.00 0.00 O ATOM 1063 CG2 THR A 279 11.541 2.256 8.954 1.00 0.00 C ATOM 0 H THR A 279 7.758 0.694 7.869 1.00 0.00 H new ATOM 0 HA THR A 279 9.954 2.462 6.974 1.00 0.00 H new ATOM 0 HB THR A 279 10.600 0.349 8.882 1.00 0.00 H new ATOM 0 HG1 THR A 279 9.862 1.657 10.714 1.00 0.00 H new ATOM 0 HG21 THR A 279 11.970 2.112 9.945 1.00 0.00 H new ATOM 0 HG22 THR A 279 12.272 1.973 8.197 1.00 0.00 H new ATOM 0 HG23 THR A 279 11.272 3.304 8.824 1.00 0.00 H new ATOM 1071 N LYS A 280 11.042 0.610 5.700 1.00 0.00 N ATOM 1072 CA LYS A 280 11.532 -0.414 4.786 1.00 0.00 C ATOM 1073 C LYS A 280 12.239 -1.529 5.551 1.00 0.00 C ATOM 1074 O LYS A 280 13.116 -1.271 6.374 1.00 0.00 O ATOM 1075 CB LYS A 280 12.479 0.204 3.756 1.00 0.00 C ATOM 1076 CG LYS A 280 12.103 -0.111 2.317 1.00 0.00 C ATOM 1077 CD LYS A 280 13.285 0.075 1.380 1.00 0.00 C ATOM 1078 CE LYS A 280 14.075 -1.213 1.217 1.00 0.00 C ATOM 1079 NZ LYS A 280 13.363 -2.195 0.352 1.00 0.00 N ATOM 0 H LYS A 280 11.530 1.503 5.632 1.00 0.00 H new ATOM 0 HA LYS A 280 10.677 -0.845 4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 280 12.493 1.286 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.491 -0.154 3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 280 11.742 -1.137 2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 280 11.284 0.536 2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 280 12.929 0.410 0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 280 13.938 0.857 1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 280 15.050 -0.989 0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 280 14.255 -1.655 2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 14.011 -2.968 0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 12.546 -2.582 0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 13.035 -1.721 -0.514 1.00 0.00 H new ATOM 1093 N ILE A 281 11.850 -2.769 5.273 1.00 0.00 N ATOM 1094 CA ILE A 281 12.446 -3.924 5.934 1.00 0.00 C ATOM 1095 C ILE A 281 13.810 -4.256 5.336 1.00 0.00 C ATOM 1096 O ILE A 281 14.675 -4.814 6.012 1.00 0.00 O ATOM 1097 CB ILE A 281 11.530 -5.160 5.833 1.00 0.00 C ATOM 1098 CG1 ILE A 281 12.134 -6.338 6.603 1.00 0.00 C ATOM 1099 CG2 ILE A 281 11.294 -5.534 4.376 1.00 0.00 C ATOM 1100 CD1 ILE A 281 11.101 -7.313 7.124 1.00 0.00 C ATOM 0 H ILE A 281 11.124 -3.000 4.594 1.00 0.00 H new ATOM 0 HA ILE A 281 12.572 -3.662 6.985 1.00 0.00 H new ATOM 0 HB ILE A 281 10.568 -4.914 6.282 1.00 0.00 H new ATOM 0 HG12 ILE A 281 12.828 -6.870 5.952 1.00 0.00 H new ATOM 0 HG13 ILE A 281 12.715 -5.954 7.442 1.00 0.00 H new ATOM 0 HG21 ILE A 281 10.645 -6.409 4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 281 10.820 -4.700 3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 281 12.248 -5.762 3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 281 11.600 -8.121 7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 281 10.421 -6.796 7.801 1.00 0.00 H new ATOM 0 HD13 ILE A 281 10.536 -7.726 6.288 1.00 0.00 H new ATOM 1112 N GLY A 282 13.998 -3.909 4.067 1.00 0.00 N ATOM 1113 CA GLY A 282 15.258 -4.179 3.402 1.00 0.00 C ATOM 1114 C GLY A 282 15.205 -5.422 2.537 1.00 0.00 C ATOM 1115 O GLY A 282 16.227 -6.069 2.306 1.00 0.00 O ATOM 0 H GLY A 282 13.299 -3.445 3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 282 15.530 -3.323 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 282 16.042 -4.295 4.150 1.00 0.00 H new ATOM 1119 N PHE A 283 14.012 -5.759 2.059 1.00 0.00 N ATOM 1120 CA PHE A 283 13.832 -6.934 1.214 1.00 0.00 C ATOM 1121 C PHE A 283 13.410 -6.531 -0.198 1.00 0.00 C ATOM 1122 O PHE A 283 12.698 -5.544 -0.382 1.00 0.00 O ATOM 1123 CB PHE A 283 12.787 -7.873 1.823 1.00 0.00 C ATOM 1124 CG PHE A 283 13.359 -8.845 2.814 1.00 0.00 C ATOM 1125 CD1 PHE A 283 14.529 -9.534 2.536 1.00 0.00 C ATOM 1126 CD2 PHE A 283 12.726 -9.072 4.027 1.00 0.00 C ATOM 1127 CE1 PHE A 283 15.058 -10.429 3.447 1.00 0.00 C ATOM 1128 CE2 PHE A 283 13.248 -9.965 4.942 1.00 0.00 C ATOM 1129 CZ PHE A 283 14.416 -10.645 4.651 1.00 0.00 C ATOM 0 H PHE A 283 13.156 -5.236 2.242 1.00 0.00 H new ATOM 0 HA PHE A 283 14.787 -7.456 1.153 1.00 0.00 H new ATOM 0 HB2 PHE A 283 12.017 -7.277 2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 283 12.299 -8.428 1.022 1.00 0.00 H new ATOM 0 HD1 PHE A 283 15.034 -9.370 1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 283 11.813 -8.544 4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 283 15.971 -10.958 3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 283 12.745 -10.132 5.883 1.00 0.00 H new ATOM 0 HZ PHE A 283 14.826 -11.344 5.364 1.00 0.00 H new TER 1139 PHE A 283 ATOM 1140 N GLY B 444 -2.484 6.018 22.445 1.00 0.00 N ATOM 1141 CA GLY B 444 -1.145 6.266 22.947 1.00 0.00 C ATOM 1142 C GLY B 444 -0.474 7.437 22.258 1.00 0.00 C ATOM 1143 O GLY B 444 -0.709 8.594 22.612 1.00 0.00 O ATOM 0 HA2 GLY B 444 -1.192 6.458 24.019 1.00 0.00 H new ATOM 0 HA3 GLY B 444 -0.538 5.371 22.810 1.00 0.00 H new ATOM 1146 N GLU B 445 0.365 7.139 21.272 1.00 0.00 N ATOM 1147 CA GLU B 445 1.074 8.175 20.529 1.00 0.00 C ATOM 1148 C GLU B 445 1.587 7.637 19.199 1.00 0.00 C ATOM 1149 O GLU B 445 1.187 8.103 18.132 1.00 0.00 O ATOM 1150 CB GLU B 445 2.240 8.719 21.357 1.00 0.00 C ATOM 1151 CG GLU B 445 2.569 10.173 21.065 1.00 0.00 C ATOM 1152 CD GLU B 445 1.933 11.127 22.056 1.00 0.00 C ATOM 1153 OE1 GLU B 445 0.688 11.147 22.146 1.00 0.00 O ATOM 1154 OE2 GLU B 445 2.680 11.854 22.746 1.00 0.00 O ATOM 0 H GLU B 445 0.571 6.187 20.968 1.00 0.00 H new ATOM 0 HA GLU B 445 0.373 8.985 20.326 1.00 0.00 H new ATOM 0 HB2 GLU B 445 2.002 8.615 22.416 1.00 0.00 H new ATOM 0 HB3 GLU B 445 3.124 8.110 21.167 1.00 0.00 H new ATOM 0 HG2 GLU B 445 3.651 10.307 21.081 1.00 0.00 H new ATOM 0 HG3 GLU B 445 2.232 10.423 20.059 1.00 0.00 H new ATOM 1161 N GLU B 446 2.474 6.650 19.269 1.00 0.00 N ATOM 1162 CA GLU B 446 3.041 6.045 18.069 1.00 0.00 C ATOM 1163 C GLU B 446 2.361 4.716 17.757 1.00 0.00 C ATOM 1164 O GLU B 446 2.967 3.821 17.169 1.00 0.00 O ATOM 1165 CB GLU B 446 4.547 5.834 18.241 1.00 0.00 C ATOM 1166 CG GLU B 446 5.288 5.633 16.930 1.00 0.00 C ATOM 1167 CD GLU B 446 6.672 5.045 17.126 1.00 0.00 C ATOM 1168 OE1 GLU B 446 6.772 3.939 17.700 1.00 0.00 O ATOM 1169 OE2 GLU B 446 7.656 5.689 16.708 1.00 0.00 O ATOM 0 H GLU B 446 2.816 6.252 20.144 1.00 0.00 H new ATOM 0 HA GLU B 446 2.870 6.725 17.234 1.00 0.00 H new ATOM 0 HB2 GLU B 446 4.969 6.695 18.759 1.00 0.00 H new ATOM 0 HB3 GLU B 446 4.713 4.966 18.879 1.00 0.00 H new ATOM 0 HG2 GLU B 446 4.706 4.975 16.285 1.00 0.00 H new ATOM 0 HG3 GLU B 446 5.373 6.590 16.415 1.00 0.00 H new ATOM 1176 N GLU B 447 1.098 4.595 18.154 1.00 0.00 N ATOM 1177 CA GLU B 447 0.334 3.376 17.918 1.00 0.00 C ATOM 1178 C GLU B 447 -1.108 3.702 17.548 1.00 0.00 C ATOM 1179 O GLU B 447 -1.584 4.813 17.783 1.00 0.00 O ATOM 1180 CB GLU B 447 0.359 2.477 19.156 1.00 0.00 C ATOM 1181 CG GLU B 447 1.710 2.434 19.854 1.00 0.00 C ATOM 1182 CD GLU B 447 1.642 1.764 21.213 1.00 0.00 C ATOM 1183 OE1 GLU B 447 1.471 0.526 21.257 1.00 0.00 O ATOM 1184 OE2 GLU B 447 1.760 2.475 22.233 1.00 0.00 O ATOM 0 H GLU B 447 0.582 5.328 18.641 1.00 0.00 H new ATOM 0 HA GLU B 447 0.798 2.847 17.085 1.00 0.00 H new ATOM 0 HB2 GLU B 447 -0.394 2.826 19.863 1.00 0.00 H new ATOM 0 HB3 GLU B 447 0.078 1.465 18.865 1.00 0.00 H new ATOM 0 HG2 GLU B 447 2.423 1.901 19.225 1.00 0.00 H new ATOM 0 HG3 GLU B 447 2.087 3.450 19.972 1.00 0.00 H new ATOM 1191 N GLY B 448 -1.801 2.726 16.970 1.00 0.00 N ATOM 1192 CA GLY B 448 -3.182 2.929 16.580 1.00 0.00 C ATOM 1193 C GLY B 448 -3.327 3.874 15.401 1.00 0.00 C ATOM 1194 O GLY B 448 -4.409 4.409 15.158 1.00 0.00 O ATOM 0 H GLY B 448 -1.430 1.798 16.765 1.00 0.00 H new ATOM 0 HA2 GLY B 448 -3.628 1.967 16.326 1.00 0.00 H new ATOM 0 HA3 GLY B 448 -3.740 3.325 17.428 1.00 0.00 H new ATOM 1198 N GLU B 449 -2.238 4.082 14.667 1.00 0.00 N ATOM 1199 CA GLU B 449 -2.258 4.971 13.510 1.00 0.00 C ATOM 1200 C GLU B 449 -2.384 4.177 12.217 1.00 0.00 C ATOM 1201 O GLU B 449 -1.956 4.633 11.160 1.00 0.00 O ATOM 1202 CB GLU B 449 -0.985 5.819 13.453 1.00 0.00 C ATOM 1203 CG GLU B 449 -0.441 6.220 14.818 1.00 0.00 C ATOM 1204 CD GLU B 449 -0.397 7.723 15.011 1.00 0.00 C ATOM 1205 OE1 GLU B 449 -1.394 8.394 14.673 1.00 0.00 O ATOM 1206 OE2 GLU B 449 0.635 8.228 15.500 1.00 0.00 O ATOM 0 H GLU B 449 -1.333 3.649 14.852 1.00 0.00 H new ATOM 0 HA GLU B 449 -3.123 5.625 13.616 1.00 0.00 H new ATOM 0 HB2 GLU B 449 -0.216 5.264 12.916 1.00 0.00 H new ATOM 0 HB3 GLU B 449 -1.188 6.721 12.876 1.00 0.00 H new ATOM 0 HG2 GLU B 449 -1.061 5.776 15.597 1.00 0.00 H new ATOM 0 HG3 GLU B 449 0.563 5.813 14.939 1.00 0.00 H new ATOM 1213 N GLU B 450 -2.969 2.989 12.300 1.00 0.00 N ATOM 1214 CA GLU B 450 -3.133 2.153 11.121 1.00 0.00 C ATOM 1215 C GLU B 450 -4.485 1.445 11.127 1.00 0.00 C ATOM 1216 O GLU B 450 -5.080 1.228 12.182 1.00 0.00 O ATOM 1217 CB GLU B 450 -1.993 1.135 11.029 1.00 0.00 C ATOM 1218 CG GLU B 450 -2.120 -0.028 12.001 1.00 0.00 C ATOM 1219 CD GLU B 450 -0.909 -0.170 12.904 1.00 0.00 C ATOM 1220 OE1 GLU B 450 -0.400 0.867 13.379 1.00 0.00 O ATOM 1221 OE2 GLU B 450 -0.473 -1.316 13.137 1.00 0.00 O ATOM 0 H GLU B 450 -3.334 2.587 13.163 1.00 0.00 H new ATOM 0 HA GLU B 450 -3.100 2.798 10.243 1.00 0.00 H new ATOM 0 HB2 GLU B 450 -1.952 0.743 10.013 1.00 0.00 H new ATOM 0 HB3 GLU B 450 -1.048 1.646 11.212 1.00 0.00 H new ATOM 0 HG2 GLU B 450 -3.011 0.111 12.614 1.00 0.00 H new ATOM 0 HG3 GLU B 450 -2.260 -0.952 11.440 1.00 0.00 H new ATOM 1228 N TYR B 451 -4.963 1.091 9.938 1.00 0.00 N ATOM 1229 CA TYR B 451 -6.243 0.409 9.799 1.00 0.00 C ATOM 1230 C TYR B 451 -6.148 -0.731 8.790 1.00 0.00 C ATOM 1231 O TYR B 451 -5.017 -1.178 8.511 1.00 0.00 O ATOM 1232 CB TYR B 451 -7.323 1.401 9.364 1.00 0.00 C ATOM 1233 CG TYR B 451 -7.874 2.234 10.500 1.00 0.00 C ATOM 1234 CD1 TYR B 451 -7.231 3.394 10.911 1.00 0.00 C ATOM 1235 CD2 TYR B 451 -9.037 1.858 11.161 1.00 0.00 C ATOM 1236 CE1 TYR B 451 -7.731 4.158 11.950 1.00 0.00 C ATOM 1237 CE2 TYR B 451 -9.544 2.616 12.199 1.00 0.00 C ATOM 1238 CZ TYR B 451 -8.887 3.764 12.590 1.00 0.00 C ATOM 1239 OH TYR B 451 -9.388 4.521 13.624 1.00 0.00 O ATOM 1240 OXT TYR B 451 -7.206 -1.163 8.288 1.00 0.00 O ATOM 0 H TYR B 451 -4.481 1.266 9.056 1.00 0.00 H new ATOM 0 HA TYR B 451 -6.511 -0.012 10.768 1.00 0.00 H new ATOM 0 HB2 TYR B 451 -6.910 2.065 8.605 1.00 0.00 H new ATOM 0 HB3 TYR B 451 -8.141 0.853 8.897 1.00 0.00 H new ATOM 0 HD1 TYR B 451 -6.326 3.705 10.411 1.00 0.00 H new ATOM 0 HD2 TYR B 451 -9.553 0.959 10.859 1.00 0.00 H new ATOM 0 HE1 TYR B 451 -7.219 5.058 12.258 1.00 0.00 H new ATOM 0 HE2 TYR B 451 -10.450 2.311 12.702 1.00 0.00 H new ATOM 0 HH TYR B 451 -10.208 4.106 13.966 1.00 0.00 H new TER 1250 TYR B 451