USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 213 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 THR OG1 : rot 180:sc= 0.00206 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 THR OG1 : rot -40:sc= -4.33! USER MOD Single : A 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 CYS SG : rot 180:sc= -5.05! USER MOD Single : A 252 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 253 ASN : amide:sc= 0.116 K(o=0.12,f=-6.1!) USER MOD Single : A 260 THR OG1 : rot 180:sc= 0 USER MOD Single : A 262 TYR OH : rot -15:sc= -1.05 USER MOD Single : A 264 GLN : amide:sc= -0.668 X(o=-0.67,f=-0.31) USER MOD Single : A 265 CYS SG : rot -126:sc= -0.895 USER MOD Single : A 266 GLN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 269 TYR OH : rot 180:sc= 0 USER MOD Single : A 276 HIS :FLIP no HD1:sc= -4.69! C(o=-5.7!,f=-4.7!) USER MOD Single : A 277 LYS NZ :NH3+ 155:sc= 0.175 (180deg=-0.305) USER MOD Single : A 279 THR OG1 : rot 180:sc=-0.00518 USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 451 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 210 12.304 11.918 1.566 1.00 0.00 N ATOM 2 CA ARG A 210 11.936 10.722 2.314 1.00 0.00 C ATOM 3 C ARG A 210 10.529 10.261 1.945 1.00 0.00 C ATOM 4 O ARG A 210 9.540 10.894 2.316 1.00 0.00 O ATOM 5 CB ARG A 210 12.021 10.988 3.817 1.00 0.00 C ATOM 6 CG ARG A 210 13.443 11.151 4.328 1.00 0.00 C ATOM 7 CD ARG A 210 13.494 11.136 5.848 1.00 0.00 C ATOM 8 NE ARG A 210 12.967 9.890 6.401 1.00 0.00 N ATOM 9 CZ ARG A 210 12.572 9.749 7.664 1.00 0.00 C ATOM 10 NH1 ARG A 210 12.643 10.770 8.508 1.00 0.00 N ATOM 11 NH2 ARG A 210 12.106 8.581 8.085 1.00 0.00 N ATOM 0 HA ARG A 210 12.638 9.930 2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 210 11.455 11.890 4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 210 11.544 10.165 4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 210 14.067 10.348 3.934 1.00 0.00 H new ATOM 0 HG3 ARG A 210 13.858 12.088 3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 210 14.524 11.272 6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 210 12.921 11.977 6.238 1.00 0.00 H new ATOM 0 HE ARG A 210 12.898 9.081 5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 210 13.002 11.670 8.190 1.00 0.00 H new ATOM 0 HH12 ARG A 210 12.338 10.655 9.475 1.00 0.00 H new ATOM 0 HH21 ARG A 210 12.051 7.792 7.441 1.00 0.00 H new ATOM 0 HH22 ARG A 210 11.803 8.472 9.053 1.00 0.00 H new ATOM 24 N GLU A 211 10.447 9.155 1.212 1.00 0.00 N ATOM 25 CA GLU A 211 9.162 8.609 0.792 1.00 0.00 C ATOM 26 C GLU A 211 9.269 7.113 0.515 1.00 0.00 C ATOM 27 O GLU A 211 10.347 6.528 0.624 1.00 0.00 O ATOM 28 CB GLU A 211 8.657 9.338 -0.456 1.00 0.00 C ATOM 29 CG GLU A 211 7.764 10.527 -0.146 1.00 0.00 C ATOM 30 CD GLU A 211 6.484 10.524 -0.959 1.00 0.00 C ATOM 31 OE1 GLU A 211 6.493 9.970 -2.079 1.00 0.00 O ATOM 32 OE2 GLU A 211 5.473 11.077 -0.477 1.00 0.00 O ATOM 0 H GLU A 211 11.256 8.619 0.897 1.00 0.00 H new ATOM 0 HA GLU A 211 8.450 8.758 1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 211 9.513 9.679 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 211 8.107 8.634 -1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 211 7.516 10.523 0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 211 8.312 11.449 -0.342 1.00 0.00 H new ATOM 39 N LEU A 212 8.146 6.500 0.156 1.00 0.00 N ATOM 40 CA LEU A 212 8.113 5.072 -0.138 1.00 0.00 C ATOM 41 C LEU A 212 7.587 4.819 -1.546 1.00 0.00 C ATOM 42 O LEU A 212 6.831 5.623 -2.090 1.00 0.00 O ATOM 43 CB LEU A 212 7.244 4.339 0.886 1.00 0.00 C ATOM 44 CG LEU A 212 7.878 4.164 2.267 1.00 0.00 C ATOM 45 CD1 LEU A 212 6.841 3.693 3.276 1.00 0.00 C ATOM 46 CD2 LEU A 212 9.041 3.184 2.200 1.00 0.00 C ATOM 0 H LEU A 212 7.246 6.970 0.062 1.00 0.00 H new ATOM 0 HA LEU A 212 9.132 4.690 -0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 212 6.306 4.883 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 212 6.995 3.354 0.490 1.00 0.00 H new ATOM 0 HG LEU A 212 8.261 5.131 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 212 7.311 3.574 4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 212 6.041 4.430 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 212 6.428 2.737 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 212 9.480 3.072 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 212 8.682 2.216 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 212 9.796 3.561 1.510 1.00 0.00 H new ATOM 58 N LYS A 213 7.991 3.696 -2.130 1.00 0.00 N ATOM 59 CA LYS A 213 7.560 3.336 -3.476 1.00 0.00 C ATOM 60 C LYS A 213 6.773 2.029 -3.464 1.00 0.00 C ATOM 61 O LYS A 213 7.050 1.133 -2.667 1.00 0.00 O ATOM 62 CB LYS A 213 8.769 3.209 -4.405 1.00 0.00 C ATOM 63 CG LYS A 213 9.752 4.362 -4.283 1.00 0.00 C ATOM 64 CD LYS A 213 11.161 3.870 -3.989 1.00 0.00 C ATOM 65 CE LYS A 213 11.890 3.470 -5.263 1.00 0.00 C ATOM 66 NZ LYS A 213 13.364 3.416 -5.066 1.00 0.00 N ATOM 0 H LYS A 213 8.616 3.019 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 213 6.909 4.128 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 213 9.288 2.275 -4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 213 8.420 3.147 -5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 213 9.753 4.939 -5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 213 9.428 5.034 -3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 213 11.722 4.653 -3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 213 11.116 3.017 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 213 11.532 2.495 -5.595 1.00 0.00 H new ATOM 0 HE3 LYS A 213 11.655 4.182 -6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 213 13.823 3.140 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 213 13.710 4.352 -4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 213 13.590 2.718 -4.329 1.00 0.00 H new ATOM 80 N ILE A 214 5.791 1.927 -4.354 1.00 0.00 N ATOM 81 CA ILE A 214 4.965 0.730 -4.447 1.00 0.00 C ATOM 82 C ILE A 214 5.803 -0.485 -4.843 1.00 0.00 C ATOM 83 O ILE A 214 6.748 -0.371 -5.622 1.00 0.00 O ATOM 84 CB ILE A 214 3.823 0.916 -5.465 1.00 0.00 C ATOM 85 CG1 ILE A 214 2.964 2.122 -5.080 1.00 0.00 C ATOM 86 CG2 ILE A 214 2.969 -0.343 -5.551 1.00 0.00 C ATOM 87 CD1 ILE A 214 1.828 2.390 -6.042 1.00 0.00 C ATOM 0 H ILE A 214 5.548 2.660 -5.021 1.00 0.00 H new ATOM 0 HA ILE A 214 4.534 0.561 -3.460 1.00 0.00 H new ATOM 0 HB ILE A 214 4.260 1.098 -6.447 1.00 0.00 H new ATOM 0 HG12 ILE A 214 2.554 1.962 -4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 214 3.599 3.007 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 214 2.169 -0.191 -6.275 1.00 0.00 H new ATOM 0 HG22 ILE A 214 3.589 -1.182 -5.866 1.00 0.00 H new ATOM 0 HG23 ILE A 214 2.538 -0.558 -4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 214 1.263 3.259 -5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 214 2.231 2.583 -7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 214 1.170 1.522 -6.079 1.00 0.00 H new ATOM 99 N GLY A 215 5.448 -1.644 -4.297 1.00 0.00 N ATOM 100 CA GLY A 215 6.178 -2.861 -4.601 1.00 0.00 C ATOM 101 C GLY A 215 7.384 -3.063 -3.701 1.00 0.00 C ATOM 102 O GLY A 215 8.084 -4.068 -3.814 1.00 0.00 O ATOM 0 H GLY A 215 4.668 -1.762 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 215 5.509 -3.715 -4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 215 6.506 -2.833 -5.640 1.00 0.00 H new ATOM 106 N ASP A 216 7.628 -2.107 -2.807 1.00 0.00 N ATOM 107 CA ASP A 216 8.758 -2.190 -1.891 1.00 0.00 C ATOM 108 C ASP A 216 8.344 -2.806 -0.560 1.00 0.00 C ATOM 109 O ASP A 216 7.242 -2.563 -0.068 1.00 0.00 O ATOM 110 CB ASP A 216 9.356 -0.802 -1.657 1.00 0.00 C ATOM 111 CG ASP A 216 10.236 -0.350 -2.806 1.00 0.00 C ATOM 112 OD1 ASP A 216 10.674 -1.214 -3.595 1.00 0.00 O ATOM 113 OD2 ASP A 216 10.486 0.869 -2.917 1.00 0.00 O ATOM 0 H ASP A 216 7.058 -1.268 -2.699 1.00 0.00 H new ATOM 0 HA ASP A 216 9.511 -2.833 -2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 216 8.550 -0.082 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 216 9.941 -0.812 -0.737 1.00 0.00 H new ATOM 118 N ARG A 217 9.236 -3.601 0.021 1.00 0.00 N ATOM 119 CA ARG A 217 8.967 -4.246 1.299 1.00 0.00 C ATOM 120 C ARG A 217 9.112 -3.247 2.440 1.00 0.00 C ATOM 121 O ARG A 217 10.085 -2.495 2.500 1.00 0.00 O ATOM 122 CB ARG A 217 9.917 -5.427 1.514 1.00 0.00 C ATOM 123 CG ARG A 217 9.291 -6.582 2.279 1.00 0.00 C ATOM 124 CD ARG A 217 8.608 -7.565 1.345 1.00 0.00 C ATOM 125 NE ARG A 217 9.503 -8.644 0.934 1.00 0.00 N ATOM 126 CZ ARG A 217 9.784 -9.704 1.690 1.00 0.00 C ATOM 127 NH1 ARG A 217 9.246 -9.827 2.897 1.00 0.00 N ATOM 128 NH2 ARG A 217 10.605 -10.640 1.237 1.00 0.00 N ATOM 0 H ARG A 217 10.152 -3.814 -0.374 1.00 0.00 H new ATOM 0 HA ARG A 217 7.943 -4.618 1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 217 10.259 -5.788 0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 217 10.798 -5.080 2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 217 10.060 -7.099 2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 217 8.566 -6.195 2.995 1.00 0.00 H new ATOM 0 HD2 ARG A 217 7.734 -7.988 1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 217 8.249 -7.036 0.462 1.00 0.00 H new ATOM 0 HE ARG A 217 9.938 -8.582 0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 217 8.614 -9.108 3.249 1.00 0.00 H new ATOM 0 HH12 ARG A 217 9.464 -10.641 3.472 1.00 0.00 H new ATOM 0 HH21 ARG A 217 11.021 -10.548 0.310 1.00 0.00 H new ATOM 0 HH22 ARG A 217 10.821 -11.452 1.815 1.00 0.00 H new ATOM 142 N VAL A 218 8.131 -3.233 3.335 1.00 0.00 N ATOM 143 CA VAL A 218 8.147 -2.313 4.463 1.00 0.00 C ATOM 144 C VAL A 218 7.408 -2.888 5.664 1.00 0.00 C ATOM 145 O VAL A 218 6.935 -4.025 5.634 1.00 0.00 O ATOM 146 CB VAL A 218 7.500 -0.966 4.086 1.00 0.00 C ATOM 147 CG1 VAL A 218 8.113 -0.413 2.808 1.00 0.00 C ATOM 148 CG2 VAL A 218 5.990 -1.119 3.940 1.00 0.00 C ATOM 0 H VAL A 218 7.317 -3.847 3.301 1.00 0.00 H new ATOM 0 HA VAL A 218 9.193 -2.158 4.727 1.00 0.00 H new ATOM 0 HB VAL A 218 7.695 -0.256 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 218 7.642 0.538 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 218 9.182 -0.261 2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 218 7.955 -1.119 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 218 5.551 -0.158 3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 218 5.772 -1.847 3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 218 5.566 -1.462 4.884 1.00 0.00 H new ATOM 158 N LEU A 219 7.295 -2.079 6.711 1.00 0.00 N ATOM 159 CA LEU A 219 6.594 -2.481 7.919 1.00 0.00 C ATOM 160 C LEU A 219 5.490 -1.486 8.242 1.00 0.00 C ATOM 161 O LEU A 219 5.752 -0.302 8.436 1.00 0.00 O ATOM 162 CB LEU A 219 7.555 -2.573 9.105 1.00 0.00 C ATOM 163 CG LEU A 219 8.672 -3.609 8.973 1.00 0.00 C ATOM 164 CD1 LEU A 219 9.401 -3.768 10.297 1.00 0.00 C ATOM 165 CD2 LEU A 219 8.112 -4.944 8.504 1.00 0.00 C ATOM 0 H LEU A 219 7.683 -1.136 6.745 1.00 0.00 H new ATOM 0 HA LEU A 219 6.159 -3.465 7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 219 8.009 -1.594 9.259 1.00 0.00 H new ATOM 0 HB3 LEU A 219 6.977 -2.801 10.001 1.00 0.00 H new ATOM 0 HG LEU A 219 9.384 -3.259 8.226 1.00 0.00 H new ATOM 0 HD11 LEU A 219 10.194 -4.508 10.189 1.00 0.00 H new ATOM 0 HD12 LEU A 219 9.835 -2.812 10.591 1.00 0.00 H new ATOM 0 HD13 LEU A 219 8.698 -4.098 11.062 1.00 0.00 H new ATOM 0 HD21 LEU A 219 8.922 -5.668 8.416 1.00 0.00 H new ATOM 0 HD22 LEU A 219 7.379 -5.305 9.226 1.00 0.00 H new ATOM 0 HD23 LEU A 219 7.633 -4.817 7.533 1.00 0.00 H new ATOM 177 N VAL A 220 4.260 -1.971 8.308 1.00 0.00 N ATOM 178 CA VAL A 220 3.126 -1.109 8.619 1.00 0.00 C ATOM 179 C VAL A 220 2.924 -1.032 10.128 1.00 0.00 C ATOM 180 O VAL A 220 2.557 -2.018 10.769 1.00 0.00 O ATOM 181 CB VAL A 220 1.815 -1.581 7.939 1.00 0.00 C ATOM 182 CG1 VAL A 220 1.241 -0.478 7.063 1.00 0.00 C ATOM 183 CG2 VAL A 220 2.038 -2.850 7.125 1.00 0.00 C ATOM 0 H VAL A 220 4.020 -2.950 8.152 1.00 0.00 H new ATOM 0 HA VAL A 220 3.360 -0.121 8.224 1.00 0.00 H new ATOM 0 HB VAL A 220 1.096 -1.812 8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 220 0.321 -0.827 6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 220 1.026 0.398 7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 220 1.964 -0.213 6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 220 1.100 -3.154 6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 220 2.781 -2.659 6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 220 2.393 -3.645 7.781 1.00 0.00 H new ATOM 193 N GLY A 221 3.183 0.145 10.691 1.00 0.00 N ATOM 194 CA GLY A 221 3.040 0.331 12.122 1.00 0.00 C ATOM 195 C GLY A 221 4.298 -0.047 12.887 1.00 0.00 C ATOM 196 O GLY A 221 4.384 0.168 14.095 1.00 0.00 O ATOM 0 H GLY A 221 3.489 0.973 10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 221 2.793 1.373 12.327 1.00 0.00 H new ATOM 0 HA3 GLY A 221 2.205 -0.271 12.482 1.00 0.00 H new ATOM 200 N GLY A 222 5.279 -0.613 12.181 1.00 0.00 N ATOM 201 CA GLY A 222 6.523 -1.012 12.817 1.00 0.00 C ATOM 202 C GLY A 222 6.488 -2.437 13.331 1.00 0.00 C ATOM 203 O GLY A 222 7.529 -3.079 13.465 1.00 0.00 O ATOM 0 H GLY A 222 5.232 -0.801 11.180 1.00 0.00 H new ATOM 0 HA2 GLY A 222 7.340 -0.908 12.104 1.00 0.00 H new ATOM 0 HA3 GLY A 222 6.735 -0.337 13.646 1.00 0.00 H new ATOM 207 N THR A 223 5.291 -2.933 13.621 1.00 0.00 N ATOM 208 CA THR A 223 5.129 -4.292 14.122 1.00 0.00 C ATOM 209 C THR A 223 4.675 -5.229 13.010 1.00 0.00 C ATOM 210 O THR A 223 4.949 -6.428 13.043 1.00 0.00 O ATOM 211 CB THR A 223 4.116 -4.311 15.267 1.00 0.00 C ATOM 212 OG1 THR A 223 2.918 -3.658 14.887 1.00 0.00 O ATOM 213 CG2 THR A 223 4.626 -3.643 16.523 1.00 0.00 C ATOM 0 H THR A 223 4.419 -2.414 13.518 1.00 0.00 H new ATOM 0 HA THR A 223 6.094 -4.639 14.491 1.00 0.00 H new ATOM 0 HB THR A 223 3.938 -5.365 15.481 1.00 0.00 H new ATOM 0 HG1 THR A 223 2.282 -3.682 15.632 1.00 0.00 H new ATOM 0 HG21 THR A 223 3.860 -3.690 17.297 1.00 0.00 H new ATOM 0 HG22 THR A 223 5.524 -4.156 16.869 1.00 0.00 H new ATOM 0 HG23 THR A 223 4.863 -2.601 16.310 1.00 0.00 H new ATOM 221 N LYS A 224 3.976 -4.673 12.026 1.00 0.00 N ATOM 222 CA LYS A 224 3.481 -5.458 10.904 1.00 0.00 C ATOM 223 C LYS A 224 4.392 -5.295 9.691 1.00 0.00 C ATOM 224 O LYS A 224 4.985 -4.237 9.489 1.00 0.00 O ATOM 225 CB LYS A 224 2.054 -5.034 10.547 1.00 0.00 C ATOM 226 CG LYS A 224 1.179 -4.741 11.760 1.00 0.00 C ATOM 227 CD LYS A 224 0.617 -6.015 12.366 1.00 0.00 C ATOM 228 CE LYS A 224 1.692 -6.807 13.091 1.00 0.00 C ATOM 229 NZ LYS A 224 1.138 -7.571 14.245 1.00 0.00 N ATOM 0 H LYS A 224 3.740 -3.682 11.984 1.00 0.00 H new ATOM 0 HA LYS A 224 3.475 -6.508 11.197 1.00 0.00 H new ATOM 0 HB2 LYS A 224 2.096 -4.145 9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 224 1.588 -5.822 9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 224 1.763 -4.208 12.510 1.00 0.00 H new ATOM 0 HG3 LYS A 224 0.360 -4.084 11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -0.184 -5.766 13.062 1.00 0.00 H new ATOM 0 HD3 LYS A 224 0.178 -6.630 11.581 1.00 0.00 H new ATOM 0 HE2 LYS A 224 2.167 -7.497 12.393 1.00 0.00 H new ATOM 0 HE3 LYS A 224 2.467 -6.127 13.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 1.903 -8.097 14.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 0.707 -6.911 14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 0.416 -8.238 13.905 1.00 0.00 H new ATOM 243 N ALA A 225 4.501 -6.348 8.886 1.00 0.00 N ATOM 244 CA ALA A 225 5.340 -6.312 7.695 1.00 0.00 C ATOM 245 C ALA A 225 4.519 -6.540 6.436 1.00 0.00 C ATOM 246 O ALA A 225 3.523 -7.263 6.456 1.00 0.00 O ATOM 247 CB ALA A 225 6.449 -7.347 7.791 1.00 0.00 C ATOM 0 H ALA A 225 4.019 -7.234 9.037 1.00 0.00 H new ATOM 0 HA ALA A 225 5.788 -5.320 7.634 1.00 0.00 H new ATOM 0 HB1 ALA A 225 7.065 -7.305 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 225 7.067 -7.138 8.664 1.00 0.00 H new ATOM 0 HB3 ALA A 225 6.012 -8.341 7.885 1.00 0.00 H new ATOM 253 N GLY A 226 4.941 -5.919 5.341 1.00 0.00 N ATOM 254 CA GLY A 226 4.232 -6.067 4.087 1.00 0.00 C ATOM 255 C GLY A 226 4.905 -5.329 2.948 1.00 0.00 C ATOM 256 O GLY A 226 6.068 -4.939 3.052 1.00 0.00 O ATOM 0 H GLY A 226 5.762 -5.315 5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 226 4.160 -7.126 3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 226 3.213 -5.697 4.204 1.00 0.00 H new ATOM 260 N VAL A 227 4.170 -5.135 1.859 1.00 0.00 N ATOM 261 CA VAL A 227 4.699 -4.438 0.693 1.00 0.00 C ATOM 262 C VAL A 227 3.802 -3.269 0.305 1.00 0.00 C ATOM 263 O VAL A 227 2.581 -3.403 0.239 1.00 0.00 O ATOM 264 CB VAL A 227 4.837 -5.393 -0.512 1.00 0.00 C ATOM 265 CG1 VAL A 227 5.233 -4.628 -1.768 1.00 0.00 C ATOM 266 CG2 VAL A 227 5.845 -6.490 -0.207 1.00 0.00 C ATOM 0 H VAL A 227 3.205 -5.451 1.759 1.00 0.00 H new ATOM 0 HA VAL A 227 5.686 -4.061 0.962 1.00 0.00 H new ATOM 0 HB VAL A 227 3.868 -5.858 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 227 5.324 -5.322 -2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 227 4.470 -3.884 -1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 227 6.189 -4.130 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 227 5.931 -7.155 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 227 6.816 -6.043 0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 227 5.511 -7.060 0.660 1.00 0.00 H new ATOM 276 N VAL A 228 4.414 -2.121 0.037 1.00 0.00 N ATOM 277 CA VAL A 228 3.665 -0.935 -0.357 1.00 0.00 C ATOM 278 C VAL A 228 2.899 -1.191 -1.647 1.00 0.00 C ATOM 279 O VAL A 228 3.449 -1.726 -2.610 1.00 0.00 O ATOM 280 CB VAL A 228 4.594 0.276 -0.545 1.00 0.00 C ATOM 281 CG1 VAL A 228 3.784 1.542 -0.780 1.00 0.00 C ATOM 282 CG2 VAL A 228 5.508 0.432 0.660 1.00 0.00 C ATOM 0 H VAL A 228 5.424 -1.987 0.085 1.00 0.00 H new ATOM 0 HA VAL A 228 2.961 -0.712 0.444 1.00 0.00 H new ATOM 0 HB VAL A 228 5.214 0.105 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 228 4.460 2.387 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 228 3.174 1.423 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 228 3.137 1.724 0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 228 6.160 1.293 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 228 4.906 0.581 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 228 6.114 -0.467 0.776 1.00 0.00 H new ATOM 292 N ARG A 229 1.622 -0.823 -1.660 1.00 0.00 N ATOM 293 CA ARG A 229 0.783 -1.033 -2.833 1.00 0.00 C ATOM 294 C ARG A 229 0.212 0.283 -3.352 1.00 0.00 C ATOM 295 O ARG A 229 0.171 0.518 -4.561 1.00 0.00 O ATOM 296 CB ARG A 229 -0.352 -2.003 -2.495 1.00 0.00 C ATOM 297 CG ARG A 229 0.100 -3.203 -1.681 1.00 0.00 C ATOM 298 CD ARG A 229 1.173 -3.998 -2.406 1.00 0.00 C ATOM 299 NE ARG A 229 0.653 -5.252 -2.945 1.00 0.00 N ATOM 300 CZ ARG A 229 0.301 -5.433 -4.217 1.00 0.00 C ATOM 301 NH1 ARG A 229 0.393 -4.438 -5.094 1.00 0.00 N ATOM 302 NH2 ARG A 229 -0.149 -6.614 -4.616 1.00 0.00 N ATOM 0 H ARG A 229 1.147 -0.379 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 229 1.403 -1.461 -3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 229 -1.124 -1.468 -1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 229 -0.808 -2.353 -3.421 1.00 0.00 H new ATOM 0 HG2 ARG A 229 0.484 -2.866 -0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 229 -0.755 -3.847 -1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 229 1.584 -3.397 -3.217 1.00 0.00 H new ATOM 0 HD3 ARG A 229 1.993 -4.210 -1.720 1.00 0.00 H new ATOM 0 HE ARG A 229 0.553 -6.041 -2.306 1.00 0.00 H new ATOM 0 HH11 ARG A 229 0.736 -3.525 -4.795 1.00 0.00 H new ATOM 0 HH12 ARG A 229 0.121 -4.588 -6.066 1.00 0.00 H new ATOM 0 HH21 ARG A 229 -0.225 -7.382 -3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 229 -0.419 -6.755 -5.590 1.00 0.00 H new ATOM 316 N PHE A 230 -0.226 1.140 -2.437 1.00 0.00 N ATOM 317 CA PHE A 230 -0.792 2.432 -2.808 1.00 0.00 C ATOM 318 C PHE A 230 -0.539 3.463 -1.715 1.00 0.00 C ATOM 319 O PHE A 230 -0.664 3.163 -0.533 1.00 0.00 O ATOM 320 CB PHE A 230 -2.294 2.302 -3.068 1.00 0.00 C ATOM 321 CG PHE A 230 -2.886 3.482 -3.783 1.00 0.00 C ATOM 322 CD1 PHE A 230 -2.755 3.614 -5.156 1.00 0.00 C ATOM 323 CD2 PHE A 230 -3.572 4.461 -3.083 1.00 0.00 C ATOM 324 CE1 PHE A 230 -3.299 4.698 -5.817 1.00 0.00 C ATOM 325 CE2 PHE A 230 -4.117 5.548 -3.737 1.00 0.00 C ATOM 326 CZ PHE A 230 -3.981 5.667 -5.107 1.00 0.00 C ATOM 0 H PHE A 230 -0.200 0.964 -1.433 1.00 0.00 H new ATOM 0 HA PHE A 230 -0.304 2.768 -3.723 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -2.476 1.403 -3.657 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -2.809 2.169 -2.116 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -2.221 2.860 -5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -3.682 4.373 -2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -3.191 4.788 -6.888 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -4.649 6.304 -3.179 1.00 0.00 H new ATOM 0 HZ PHE A 230 -4.407 6.516 -5.621 1.00 0.00 H new ATOM 336 N LEU A 231 -0.182 4.678 -2.113 1.00 0.00 N ATOM 337 CA LEU A 231 0.085 5.742 -1.152 1.00 0.00 C ATOM 338 C LEU A 231 -0.810 6.950 -1.407 1.00 0.00 C ATOM 339 O LEU A 231 -0.853 7.482 -2.517 1.00 0.00 O ATOM 340 CB LEU A 231 1.557 6.158 -1.211 1.00 0.00 C ATOM 341 CG LEU A 231 2.557 4.998 -1.239 1.00 0.00 C ATOM 342 CD1 LEU A 231 3.237 4.910 -2.598 1.00 0.00 C ATOM 343 CD2 LEU A 231 3.591 5.154 -0.135 1.00 0.00 C ATOM 0 H LEU A 231 -0.071 4.951 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 231 -0.136 5.357 -0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 231 1.710 6.772 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 231 1.776 6.786 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 231 2.009 4.071 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 231 3.944 4.080 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 231 2.486 4.747 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 231 3.769 5.840 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 231 4.292 4.320 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 231 4.133 6.090 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 231 3.091 5.164 0.833 1.00 0.00 H new ATOM 355 N GLY A 232 -1.521 7.376 -0.371 1.00 0.00 N ATOM 356 CA GLY A 232 -2.409 8.517 -0.495 1.00 0.00 C ATOM 357 C GLY A 232 -3.259 8.723 0.743 1.00 0.00 C ATOM 358 O GLY A 232 -3.175 7.949 1.697 1.00 0.00 O ATOM 0 H GLY A 232 -1.499 6.951 0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 232 -1.819 9.415 -0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 232 -3.058 8.377 -1.359 1.00 0.00 H new ATOM 362 N GLU A 233 -4.079 9.767 0.729 1.00 0.00 N ATOM 363 CA GLU A 233 -4.947 10.072 1.859 1.00 0.00 C ATOM 364 C GLU A 233 -6.189 9.186 1.845 1.00 0.00 C ATOM 365 O GLU A 233 -6.625 8.727 0.789 1.00 0.00 O ATOM 366 CB GLU A 233 -5.355 11.546 1.835 1.00 0.00 C ATOM 367 CG GLU A 233 -4.184 12.498 1.648 1.00 0.00 C ATOM 368 CD GLU A 233 -4.190 13.169 0.288 1.00 0.00 C ATOM 369 OE1 GLU A 233 -3.845 12.498 -0.707 1.00 0.00 O ATOM 370 OE2 GLU A 233 -4.540 14.367 0.220 1.00 0.00 O ATOM 0 H GLU A 233 -4.161 10.417 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 233 -4.391 9.873 2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -6.072 11.703 1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -5.865 11.789 2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -4.213 13.261 2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -3.251 11.949 1.774 1.00 0.00 H new ATOM 377 N THR A 234 -6.756 8.953 3.024 1.00 0.00 N ATOM 378 CA THR A 234 -7.950 8.125 3.147 1.00 0.00 C ATOM 379 C THR A 234 -9.196 8.988 3.297 1.00 0.00 C ATOM 380 O THR A 234 -9.110 10.163 3.652 1.00 0.00 O ATOM 381 CB THR A 234 -7.822 7.181 4.344 1.00 0.00 C ATOM 382 OG1 THR A 234 -7.964 7.894 5.558 1.00 0.00 O ATOM 383 CG2 THR A 234 -6.498 6.449 4.393 1.00 0.00 C ATOM 0 H THR A 234 -6.408 9.326 3.907 1.00 0.00 H new ATOM 0 HA THR A 234 -8.046 7.534 2.236 1.00 0.00 H new ATOM 0 HB THR A 234 -8.618 6.447 4.220 1.00 0.00 H new ATOM 0 HG1 THR A 234 -7.499 8.754 5.488 1.00 0.00 H new ATOM 0 HG21 THR A 234 -6.475 5.797 5.266 1.00 0.00 H new ATOM 0 HG22 THR A 234 -6.380 5.850 3.490 1.00 0.00 H new ATOM 0 HG23 THR A 234 -5.685 7.172 4.458 1.00 0.00 H new ATOM 391 N ASP A 235 -10.355 8.400 3.021 1.00 0.00 N ATOM 392 CA ASP A 235 -11.618 9.118 3.124 1.00 0.00 C ATOM 393 C ASP A 235 -12.133 9.116 4.559 1.00 0.00 C ATOM 394 O ASP A 235 -12.797 10.058 4.993 1.00 0.00 O ATOM 395 CB ASP A 235 -12.661 8.491 2.197 1.00 0.00 C ATOM 396 CG ASP A 235 -13.902 9.350 2.056 1.00 0.00 C ATOM 397 OD1 ASP A 235 -14.776 9.279 2.945 1.00 0.00 O ATOM 398 OD2 ASP A 235 -14.000 10.093 1.058 1.00 0.00 O ATOM 0 H ASP A 235 -10.445 7.428 2.724 1.00 0.00 H new ATOM 0 HA ASP A 235 -11.444 10.151 2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 235 -12.219 8.332 1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 235 -12.943 7.511 2.582 1.00 0.00 H new ATOM 403 N PHE A 236 -11.829 8.049 5.292 1.00 0.00 N ATOM 404 CA PHE A 236 -12.271 7.928 6.677 1.00 0.00 C ATOM 405 C PHE A 236 -11.248 8.526 7.648 1.00 0.00 C ATOM 406 O PHE A 236 -11.573 8.810 8.801 1.00 0.00 O ATOM 407 CB PHE A 236 -12.539 6.457 7.028 1.00 0.00 C ATOM 408 CG PHE A 236 -11.308 5.660 7.378 1.00 0.00 C ATOM 409 CD1 PHE A 236 -10.113 5.845 6.697 1.00 0.00 C ATOM 410 CD2 PHE A 236 -11.354 4.723 8.398 1.00 0.00 C ATOM 411 CE1 PHE A 236 -8.991 5.109 7.028 1.00 0.00 C ATOM 412 CE2 PHE A 236 -10.234 3.984 8.732 1.00 0.00 C ATOM 413 CZ PHE A 236 -9.051 4.178 8.046 1.00 0.00 C ATOM 0 H PHE A 236 -11.281 7.259 4.952 1.00 0.00 H new ATOM 0 HA PHE A 236 -13.198 8.492 6.778 1.00 0.00 H new ATOM 0 HB2 PHE A 236 -13.232 6.418 7.869 1.00 0.00 H new ATOM 0 HB3 PHE A 236 -13.036 5.980 6.183 1.00 0.00 H new ATOM 0 HD1 PHE A 236 -10.059 6.572 5.900 1.00 0.00 H new ATOM 0 HD2 PHE A 236 -12.276 4.568 8.939 1.00 0.00 H new ATOM 0 HE1 PHE A 236 -8.067 5.262 6.490 1.00 0.00 H new ATOM 0 HE2 PHE A 236 -10.284 3.256 9.528 1.00 0.00 H new ATOM 0 HZ PHE A 236 -8.175 3.603 8.305 1.00 0.00 H new ATOM 423 N ALA A 237 -10.018 8.717 7.179 1.00 0.00 N ATOM 424 CA ALA A 237 -8.964 9.283 8.014 1.00 0.00 C ATOM 425 C ALA A 237 -8.402 10.560 7.399 1.00 0.00 C ATOM 426 O ALA A 237 -8.355 10.704 6.177 1.00 0.00 O ATOM 427 CB ALA A 237 -7.855 8.265 8.231 1.00 0.00 C ATOM 0 H ALA A 237 -9.728 8.489 6.228 1.00 0.00 H new ATOM 0 HA ALA A 237 -9.399 9.538 8.980 1.00 0.00 H new ATOM 0 HB1 ALA A 237 -7.076 8.703 8.856 1.00 0.00 H new ATOM 0 HB2 ALA A 237 -8.263 7.382 8.724 1.00 0.00 H new ATOM 0 HB3 ALA A 237 -7.430 7.979 7.269 1.00 0.00 H new ATOM 433 N LYS A 238 -7.974 11.484 8.252 1.00 0.00 N ATOM 434 CA LYS A 238 -7.413 12.748 7.791 1.00 0.00 C ATOM 435 C LYS A 238 -5.888 12.682 7.746 1.00 0.00 C ATOM 436 O LYS A 238 -5.255 12.123 8.641 1.00 0.00 O ATOM 437 CB LYS A 238 -7.859 13.891 8.705 1.00 0.00 C ATOM 438 CG LYS A 238 -7.498 13.679 10.166 1.00 0.00 C ATOM 439 CD LYS A 238 -7.383 15.000 10.908 1.00 0.00 C ATOM 440 CE LYS A 238 -6.946 14.793 12.351 1.00 0.00 C ATOM 441 NZ LYS A 238 -5.490 15.038 12.531 1.00 0.00 N ATOM 0 H LYS A 238 -8.005 11.381 9.266 1.00 0.00 H new ATOM 0 HA LYS A 238 -7.781 12.934 6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -7.406 14.820 8.359 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -8.939 14.012 8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -8.256 13.057 10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -6.554 13.139 10.234 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -6.666 15.644 10.398 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -8.344 15.515 10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -7.510 15.463 13.000 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -7.184 13.775 12.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -5.233 14.886 13.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -4.951 14.382 11.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -5.267 16.017 12.261 1.00 0.00 H new ATOM 455 N GLY A 239 -5.307 13.259 6.698 1.00 0.00 N ATOM 456 CA GLY A 239 -3.863 13.254 6.556 1.00 0.00 C ATOM 457 C GLY A 239 -3.387 12.293 5.485 1.00 0.00 C ATOM 458 O GLY A 239 -4.193 11.704 4.766 1.00 0.00 O ATOM 0 H GLY A 239 -5.810 13.729 5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 239 -3.522 14.260 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 239 -3.409 12.984 7.509 1.00 0.00 H new ATOM 462 N GLU A 240 -2.070 12.134 5.377 1.00 0.00 N ATOM 463 CA GLU A 240 -1.486 11.236 4.385 1.00 0.00 C ATOM 464 C GLU A 240 -1.375 9.818 4.933 1.00 0.00 C ATOM 465 O GLU A 240 -0.939 9.612 6.065 1.00 0.00 O ATOM 466 CB GLU A 240 -0.107 11.743 3.960 1.00 0.00 C ATOM 467 CG GLU A 240 0.823 12.029 5.127 1.00 0.00 C ATOM 468 CD GLU A 240 2.267 12.201 4.694 1.00 0.00 C ATOM 469 OE1 GLU A 240 2.494 12.613 3.538 1.00 0.00 O ATOM 470 OE2 GLU A 240 3.168 11.923 5.513 1.00 0.00 O ATOM 0 H GLU A 240 -1.388 12.615 5.964 1.00 0.00 H new ATOM 0 HA GLU A 240 -2.143 11.217 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 240 0.358 11.003 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 240 -0.229 12.653 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 240 0.491 12.932 5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 240 0.758 11.213 5.847 1.00 0.00 H new ATOM 477 N TRP A 241 -1.771 8.843 4.121 1.00 0.00 N ATOM 478 CA TRP A 241 -1.715 7.442 4.525 1.00 0.00 C ATOM 479 C TRP A 241 -1.078 6.585 3.436 1.00 0.00 C ATOM 480 O TRP A 241 -0.939 7.020 2.293 1.00 0.00 O ATOM 481 CB TRP A 241 -3.120 6.926 4.842 1.00 0.00 C ATOM 482 CG TRP A 241 -3.722 7.561 6.058 1.00 0.00 C ATOM 483 CD1 TRP A 241 -4.232 8.823 6.158 1.00 0.00 C ATOM 484 CD2 TRP A 241 -3.878 6.962 7.351 1.00 0.00 C ATOM 485 NE1 TRP A 241 -4.695 9.046 7.432 1.00 0.00 N ATOM 486 CE2 TRP A 241 -4.489 7.919 8.182 1.00 0.00 C ATOM 487 CE3 TRP A 241 -3.561 5.709 7.884 1.00 0.00 C ATOM 488 CZ2 TRP A 241 -4.788 7.662 9.519 1.00 0.00 C ATOM 489 CZ3 TRP A 241 -3.857 5.456 9.209 1.00 0.00 C ATOM 490 CH2 TRP A 241 -4.466 6.427 10.014 1.00 0.00 C ATOM 0 H TRP A 241 -2.134 8.997 3.180 1.00 0.00 H new ATOM 0 HA TRP A 241 -1.099 7.372 5.421 1.00 0.00 H new ATOM 0 HB2 TRP A 241 -3.769 7.109 3.986 1.00 0.00 H new ATOM 0 HB3 TRP A 241 -3.079 5.846 4.986 1.00 0.00 H new ATOM 0 HD1 TRP A 241 -4.267 9.542 5.353 1.00 0.00 H new ATOM 0 HE1 TRP A 241 -5.123 9.910 7.765 1.00 0.00 H new ATOM 0 HE3 TRP A 241 -3.093 4.953 7.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 241 -5.257 8.410 10.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 241 -3.615 4.492 9.632 1.00 0.00 H new ATOM 0 HH2 TRP A 241 -4.686 6.197 11.046 1.00 0.00 H new ATOM 501 N CYS A 242 -0.693 5.365 3.797 1.00 0.00 N ATOM 502 CA CYS A 242 -0.071 4.449 2.850 1.00 0.00 C ATOM 503 C CYS A 242 -0.679 3.053 2.958 1.00 0.00 C ATOM 504 O CYS A 242 -1.230 2.680 3.995 1.00 0.00 O ATOM 505 CB CYS A 242 1.441 4.382 3.088 1.00 0.00 C ATOM 506 SG CYS A 242 2.311 3.197 2.033 1.00 0.00 S ATOM 0 H CYS A 242 -0.801 4.989 4.739 1.00 0.00 H new ATOM 0 HA CYS A 242 -0.257 4.827 1.845 1.00 0.00 H new ATOM 0 HB2 CYS A 242 1.866 5.373 2.928 1.00 0.00 H new ATOM 0 HB3 CYS A 242 1.621 4.122 4.131 1.00 0.00 H new ATOM 0 HG CYS A 242 3.581 3.219 2.311 1.00 0.00 H new ATOM 512 N GLY A 243 -0.575 2.290 1.876 1.00 0.00 N ATOM 513 CA GLY A 243 -1.112 0.945 1.849 1.00 0.00 C ATOM 514 C GLY A 243 -0.027 -0.102 1.713 1.00 0.00 C ATOM 515 O GLY A 243 0.796 -0.038 0.800 1.00 0.00 O ATOM 0 H GLY A 243 -0.124 2.584 1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -1.677 0.763 2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -1.811 0.851 1.018 1.00 0.00 H new ATOM 519 N VAL A 244 -0.020 -1.068 2.624 1.00 0.00 N ATOM 520 CA VAL A 244 0.975 -2.130 2.602 1.00 0.00 C ATOM 521 C VAL A 244 0.315 -3.501 2.686 1.00 0.00 C ATOM 522 O VAL A 244 -0.546 -3.734 3.534 1.00 0.00 O ATOM 523 CB VAL A 244 1.978 -1.987 3.769 1.00 0.00 C ATOM 524 CG1 VAL A 244 3.214 -2.839 3.528 1.00 0.00 C ATOM 525 CG2 VAL A 244 2.364 -0.531 3.978 1.00 0.00 C ATOM 0 H VAL A 244 -0.693 -1.137 3.387 1.00 0.00 H new ATOM 0 HA VAL A 244 1.511 -2.041 1.657 1.00 0.00 H new ATOM 0 HB VAL A 244 1.490 -2.343 4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 244 3.905 -2.722 4.363 1.00 0.00 H new ATOM 0 HG12 VAL A 244 2.923 -3.886 3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 244 3.701 -2.521 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 244 3.071 -0.457 4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 244 2.826 -0.143 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 244 1.473 0.052 4.209 1.00 0.00 H new ATOM 535 N GLU A 245 0.729 -4.408 1.807 1.00 0.00 N ATOM 536 CA GLU A 245 0.184 -5.758 1.793 1.00 0.00 C ATOM 537 C GLU A 245 0.915 -6.622 2.809 1.00 0.00 C ATOM 538 O GLU A 245 2.097 -6.921 2.648 1.00 0.00 O ATOM 539 CB GLU A 245 0.308 -6.370 0.395 1.00 0.00 C ATOM 540 CG GLU A 245 -0.282 -7.767 0.289 1.00 0.00 C ATOM 541 CD GLU A 245 -0.358 -8.260 -1.143 1.00 0.00 C ATOM 542 OE1 GLU A 245 -0.671 -7.445 -2.036 1.00 0.00 O ATOM 543 OE2 GLU A 245 -0.102 -9.461 -1.371 1.00 0.00 O ATOM 0 H GLU A 245 1.439 -4.232 1.097 1.00 0.00 H new ATOM 0 HA GLU A 245 -0.872 -5.712 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -0.190 -5.719 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 245 1.361 -6.407 0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 245 0.323 -8.458 0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -1.281 -7.769 0.724 1.00 0.00 H new ATOM 550 N LEU A 246 0.210 -7.005 3.867 1.00 0.00 N ATOM 551 CA LEU A 246 0.804 -7.815 4.921 1.00 0.00 C ATOM 552 C LEU A 246 1.140 -9.217 4.427 1.00 0.00 C ATOM 553 O LEU A 246 0.404 -9.803 3.632 1.00 0.00 O ATOM 554 CB LEU A 246 -0.139 -7.896 6.121 1.00 0.00 C ATOM 555 CG LEU A 246 -0.540 -6.548 6.720 1.00 0.00 C ATOM 556 CD1 LEU A 246 -1.618 -6.734 7.774 1.00 0.00 C ATOM 557 CD2 LEU A 246 0.673 -5.849 7.316 1.00 0.00 C ATOM 0 H LEU A 246 -0.771 -6.768 4.017 1.00 0.00 H new ATOM 0 HA LEU A 246 1.734 -7.334 5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 246 -1.043 -8.425 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 246 0.337 -8.495 6.898 1.00 0.00 H new ATOM 0 HG LEU A 246 -0.942 -5.922 5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 246 -1.891 -5.764 8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 246 -2.495 -7.194 7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 246 -1.242 -7.377 8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 246 0.370 -4.891 7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 246 1.103 -6.472 8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 246 1.417 -5.683 6.537 1.00 0.00 H new ATOM 569 N ASP A 247 2.263 -9.743 4.904 1.00 0.00 N ATOM 570 CA ASP A 247 2.715 -11.075 4.521 1.00 0.00 C ATOM 571 C ASP A 247 1.797 -12.154 5.088 1.00 0.00 C ATOM 572 O ASP A 247 1.709 -13.255 4.543 1.00 0.00 O ATOM 573 CB ASP A 247 4.149 -11.298 5.007 1.00 0.00 C ATOM 574 CG ASP A 247 5.175 -10.655 4.094 1.00 0.00 C ATOM 575 OD1 ASP A 247 4.866 -10.453 2.902 1.00 0.00 O ATOM 576 OD2 ASP A 247 6.289 -10.353 4.572 1.00 0.00 O ATOM 0 H ASP A 247 2.880 -9.264 5.560 1.00 0.00 H new ATOM 0 HA ASP A 247 2.686 -11.145 3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 247 4.256 -10.892 6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 247 4.345 -12.368 5.073 1.00 0.00 H new ATOM 581 N GLU A 248 1.114 -11.834 6.184 1.00 0.00 N ATOM 582 CA GLU A 248 0.205 -12.780 6.820 1.00 0.00 C ATOM 583 C GLU A 248 -1.107 -12.100 7.209 1.00 0.00 C ATOM 584 O GLU A 248 -1.224 -10.876 7.143 1.00 0.00 O ATOM 585 CB GLU A 248 0.861 -13.396 8.058 1.00 0.00 C ATOM 586 CG GLU A 248 1.537 -14.730 7.789 1.00 0.00 C ATOM 587 CD GLU A 248 1.734 -15.549 9.049 1.00 0.00 C ATOM 588 OE1 GLU A 248 0.817 -15.561 9.898 1.00 0.00 O ATOM 589 OE2 GLU A 248 2.805 -16.177 9.189 1.00 0.00 O ATOM 0 H GLU A 248 1.173 -10.928 6.649 1.00 0.00 H new ATOM 0 HA GLU A 248 -0.016 -13.570 6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 248 1.599 -12.698 8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 248 0.104 -13.531 8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 248 0.937 -15.300 7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 248 2.505 -14.554 7.319 1.00 0.00 H new ATOM 596 N PRO A 249 -2.114 -12.889 7.624 1.00 0.00 N ATOM 597 CA PRO A 249 -3.419 -12.358 8.024 1.00 0.00 C ATOM 598 C PRO A 249 -3.331 -11.537 9.309 1.00 0.00 C ATOM 599 O PRO A 249 -3.820 -11.952 10.360 1.00 0.00 O ATOM 600 CB PRO A 249 -4.283 -13.611 8.245 1.00 0.00 C ATOM 601 CG PRO A 249 -3.503 -14.755 7.683 1.00 0.00 C ATOM 602 CD PRO A 249 -2.059 -14.353 7.736 1.00 0.00 C ATOM 0 HA PRO A 249 -3.827 -11.683 7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 249 -4.487 -13.762 9.305 1.00 0.00 H new ATOM 0 HB3 PRO A 249 -5.247 -13.513 7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 249 -3.674 -15.663 8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 249 -3.809 -14.967 6.659 1.00 0.00 H new ATOM 0 HD2 PRO A 249 -1.587 -14.668 8.667 1.00 0.00 H new ATOM 0 HD3 PRO A 249 -1.487 -14.798 6.922 1.00 0.00 H new ATOM 610 N LEU A 250 -2.699 -10.371 9.216 1.00 0.00 N ATOM 611 CA LEU A 250 -2.543 -9.493 10.372 1.00 0.00 C ATOM 612 C LEU A 250 -3.055 -8.086 10.077 1.00 0.00 C ATOM 613 O LEU A 250 -2.650 -7.123 10.727 1.00 0.00 O ATOM 614 CB LEU A 250 -1.074 -9.435 10.797 1.00 0.00 C ATOM 615 CG LEU A 250 -0.064 -9.395 9.644 1.00 0.00 C ATOM 616 CD1 LEU A 250 0.864 -8.199 9.782 1.00 0.00 C ATOM 617 CD2 LEU A 250 0.738 -10.687 9.592 1.00 0.00 C ATOM 0 H LEU A 250 -2.287 -10.012 8.354 1.00 0.00 H new ATOM 0 HA LEU A 250 -3.139 -9.906 11.186 1.00 0.00 H new ATOM 0 HB2 LEU A 250 -0.927 -8.552 11.419 1.00 0.00 H new ATOM 0 HB3 LEU A 250 -0.857 -10.303 11.419 1.00 0.00 H new ATOM 0 HG LEU A 250 -0.617 -9.293 8.710 1.00 0.00 H new ATOM 0 HD11 LEU A 250 1.572 -8.190 8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.278 -7.280 9.768 1.00 0.00 H new ATOM 0 HD13 LEU A 250 1.408 -8.268 10.724 1.00 0.00 H new ATOM 0 HD21 LEU A 250 1.450 -10.641 8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 250 1.277 -10.818 10.530 1.00 0.00 H new ATOM 0 HD23 LEU A 250 0.062 -11.529 9.441 1.00 0.00 H new ATOM 629 N GLY A 251 -3.947 -7.970 9.098 1.00 0.00 N ATOM 630 CA GLY A 251 -4.492 -6.672 8.747 1.00 0.00 C ATOM 631 C GLY A 251 -5.915 -6.492 9.234 1.00 0.00 C ATOM 632 O GLY A 251 -6.450 -7.347 9.939 1.00 0.00 O ATOM 0 H GLY A 251 -4.301 -8.749 8.543 1.00 0.00 H new ATOM 0 HA2 GLY A 251 -3.864 -5.890 9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 251 -4.463 -6.550 7.664 1.00 0.00 H new ATOM 636 N LYS A 252 -6.532 -5.374 8.860 1.00 0.00 N ATOM 637 CA LYS A 252 -7.901 -5.085 9.271 1.00 0.00 C ATOM 638 C LYS A 252 -8.849 -5.083 8.076 1.00 0.00 C ATOM 639 O LYS A 252 -10.035 -5.379 8.213 1.00 0.00 O ATOM 640 CB LYS A 252 -7.968 -3.734 9.987 1.00 0.00 C ATOM 641 CG LYS A 252 -6.808 -3.488 10.939 1.00 0.00 C ATOM 642 CD LYS A 252 -6.961 -4.289 12.222 1.00 0.00 C ATOM 643 CE LYS A 252 -5.812 -4.028 13.184 1.00 0.00 C ATOM 644 NZ LYS A 252 -6.244 -3.219 14.357 1.00 0.00 N ATOM 0 H LYS A 252 -6.106 -4.656 8.274 1.00 0.00 H new ATOM 0 HA LYS A 252 -8.215 -5.872 9.957 1.00 0.00 H new ATOM 0 HB2 LYS A 252 -7.990 -2.939 9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 252 -8.903 -3.674 10.544 1.00 0.00 H new ATOM 0 HG2 LYS A 252 -5.872 -3.757 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 252 -6.750 -2.426 11.177 1.00 0.00 H new ATOM 0 HD2 LYS A 252 -7.905 -4.031 12.703 1.00 0.00 H new ATOM 0 HD3 LYS A 252 -7.004 -5.352 11.985 1.00 0.00 H new ATOM 0 HE2 LYS A 252 -5.404 -4.978 13.529 1.00 0.00 H new ATOM 0 HE3 LYS A 252 -5.010 -3.508 12.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 252 -5.433 -3.063 14.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 252 -6.610 -2.302 14.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 252 -6.991 -3.726 14.872 1.00 0.00 H new ATOM 658 N ASN A 253 -8.323 -4.744 6.901 1.00 0.00 N ATOM 659 CA ASN A 253 -9.130 -4.702 5.688 1.00 0.00 C ATOM 660 C ASN A 253 -8.524 -5.575 4.592 1.00 0.00 C ATOM 661 O ASN A 253 -7.372 -5.997 4.686 1.00 0.00 O ATOM 662 CB ASN A 253 -9.267 -3.261 5.191 1.00 0.00 C ATOM 663 CG ASN A 253 -7.944 -2.674 4.738 1.00 0.00 C ATOM 664 OD1 ASN A 253 -7.707 -2.495 3.543 1.00 0.00 O ATOM 665 ND2 ASN A 253 -7.073 -2.371 5.694 1.00 0.00 N ATOM 0 H ASN A 253 -7.343 -4.495 6.765 1.00 0.00 H new ATOM 0 HA ASN A 253 -10.118 -5.093 5.930 1.00 0.00 H new ATOM 0 HB2 ASN A 253 -9.976 -3.231 4.364 1.00 0.00 H new ATOM 0 HB3 ASN A 253 -9.681 -2.643 5.988 1.00 0.00 H new ATOM 0 HD21 ASN A 253 -6.166 -1.973 5.450 1.00 0.00 H new ATOM 0 HD22 ASN A 253 -7.311 -2.536 6.672 1.00 0.00 H new ATOM 672 N ASP A 254 -9.312 -5.836 3.554 1.00 0.00 N ATOM 673 CA ASP A 254 -8.860 -6.655 2.435 1.00 0.00 C ATOM 674 C ASP A 254 -8.429 -5.782 1.258 1.00 0.00 C ATOM 675 O ASP A 254 -8.467 -6.215 0.107 1.00 0.00 O ATOM 676 CB ASP A 254 -9.968 -7.616 2.000 1.00 0.00 C ATOM 677 CG ASP A 254 -11.182 -6.894 1.451 1.00 0.00 C ATOM 678 OD1 ASP A 254 -11.148 -6.487 0.270 1.00 0.00 O ATOM 679 OD2 ASP A 254 -12.167 -6.734 2.202 1.00 0.00 O ATOM 0 H ASP A 254 -10.268 -5.492 3.465 1.00 0.00 H new ATOM 0 HA ASP A 254 -7.997 -7.234 2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 254 -9.579 -8.294 1.241 1.00 0.00 H new ATOM 0 HB3 ASP A 254 -10.268 -8.228 2.850 1.00 0.00 H new ATOM 684 N GLY A 255 -8.018 -4.552 1.555 1.00 0.00 N ATOM 685 CA GLY A 255 -7.586 -3.641 0.509 1.00 0.00 C ATOM 686 C GLY A 255 -8.588 -2.532 0.243 1.00 0.00 C ATOM 687 O GLY A 255 -8.517 -1.857 -0.785 1.00 0.00 O ATOM 0 H GLY A 255 -7.976 -4.170 2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 255 -6.629 -3.200 0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 255 -7.421 -4.203 -0.410 1.00 0.00 H new ATOM 691 N ALA A 256 -9.523 -2.339 1.170 1.00 0.00 N ATOM 692 CA ALA A 256 -10.538 -1.304 1.024 1.00 0.00 C ATOM 693 C ALA A 256 -10.776 -0.575 2.344 1.00 0.00 C ATOM 694 O ALA A 256 -10.472 -1.098 3.416 1.00 0.00 O ATOM 695 CB ALA A 256 -11.836 -1.906 0.505 1.00 0.00 C ATOM 0 H ALA A 256 -9.597 -2.886 2.028 1.00 0.00 H new ATOM 0 HA ALA A 256 -10.176 -0.574 0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 256 -12.585 -1.121 0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 256 -11.659 -2.370 -0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 256 -12.194 -2.659 1.207 1.00 0.00 H new ATOM 701 N VAL A 257 -11.317 0.636 2.256 1.00 0.00 N ATOM 702 CA VAL A 257 -11.595 1.439 3.441 1.00 0.00 C ATOM 703 C VAL A 257 -12.917 2.188 3.300 1.00 0.00 C ATOM 704 O VAL A 257 -13.065 3.046 2.428 1.00 0.00 O ATOM 705 CB VAL A 257 -10.465 2.452 3.708 1.00 0.00 C ATOM 706 CG1 VAL A 257 -10.723 3.228 4.992 1.00 0.00 C ATOM 707 CG2 VAL A 257 -9.119 1.747 3.765 1.00 0.00 C ATOM 0 H VAL A 257 -11.572 1.083 1.375 1.00 0.00 H new ATOM 0 HA VAL A 257 -11.661 0.751 4.284 1.00 0.00 H new ATOM 0 HB VAL A 257 -10.444 3.164 2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -9.911 3.936 5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -11.665 3.769 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -10.777 2.535 5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -8.333 2.478 3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -9.129 1.009 4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -8.929 1.248 2.815 1.00 0.00 H new ATOM 717 N ALA A 258 -13.873 1.858 4.161 1.00 0.00 N ATOM 718 CA ALA A 258 -15.182 2.498 4.131 1.00 0.00 C ATOM 719 C ALA A 258 -15.866 2.299 2.783 1.00 0.00 C ATOM 720 O ALA A 258 -16.687 3.117 2.365 1.00 0.00 O ATOM 721 CB ALA A 258 -15.049 3.982 4.443 1.00 0.00 C ATOM 0 H ALA A 258 -13.766 1.151 4.888 1.00 0.00 H new ATOM 0 HA ALA A 258 -15.804 2.029 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 258 -16.034 4.449 4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 258 -14.613 4.108 5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 258 -14.405 4.453 3.701 1.00 0.00 H new ATOM 727 N GLY A 259 -15.523 1.208 2.106 1.00 0.00 N ATOM 728 CA GLY A 259 -16.114 0.923 0.811 1.00 0.00 C ATOM 729 C GLY A 259 -15.281 1.450 -0.344 1.00 0.00 C ATOM 730 O GLY A 259 -15.740 1.472 -1.486 1.00 0.00 O ATOM 0 H GLY A 259 -14.847 0.517 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -16.237 -0.155 0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -17.110 1.364 0.766 1.00 0.00 H new ATOM 734 N THR A 260 -14.055 1.874 -0.050 1.00 0.00 N ATOM 735 CA THR A 260 -13.163 2.399 -1.077 1.00 0.00 C ATOM 736 C THR A 260 -11.919 1.526 -1.213 1.00 0.00 C ATOM 737 O THR A 260 -11.101 1.446 -0.296 1.00 0.00 O ATOM 738 CB THR A 260 -12.758 3.836 -0.744 1.00 0.00 C ATOM 739 OG1 THR A 260 -13.900 4.632 -0.487 1.00 0.00 O ATOM 740 CG2 THR A 260 -11.971 4.507 -1.850 1.00 0.00 C ATOM 0 H THR A 260 -13.658 1.864 0.889 1.00 0.00 H new ATOM 0 HA THR A 260 -13.697 2.391 -2.027 1.00 0.00 H new ATOM 0 HB THR A 260 -12.123 3.760 0.139 1.00 0.00 H new ATOM 0 HG1 THR A 260 -13.620 5.547 -0.274 1.00 0.00 H new ATOM 0 HG21 THR A 260 -11.715 5.523 -1.550 1.00 0.00 H new ATOM 0 HG22 THR A 260 -11.057 3.944 -2.040 1.00 0.00 H new ATOM 0 HG23 THR A 260 -12.573 4.538 -2.758 1.00 0.00 H new ATOM 748 N ARG A 261 -11.784 0.872 -2.363 1.00 0.00 N ATOM 749 CA ARG A 261 -10.640 0.006 -2.618 1.00 0.00 C ATOM 750 C ARG A 261 -9.482 0.798 -3.215 1.00 0.00 C ATOM 751 O ARG A 261 -9.577 1.306 -4.333 1.00 0.00 O ATOM 752 CB ARG A 261 -11.040 -1.133 -3.558 1.00 0.00 C ATOM 753 CG ARG A 261 -9.899 -2.082 -3.887 1.00 0.00 C ATOM 754 CD ARG A 261 -10.325 -3.137 -4.894 1.00 0.00 C ATOM 755 NE ARG A 261 -11.576 -3.789 -4.508 1.00 0.00 N ATOM 756 CZ ARG A 261 -12.346 -4.473 -5.352 1.00 0.00 C ATOM 757 NH1 ARG A 261 -12.000 -4.598 -6.626 1.00 0.00 N ATOM 758 NH2 ARG A 261 -13.467 -5.035 -4.918 1.00 0.00 N ATOM 0 H ARG A 261 -12.452 0.926 -3.132 1.00 0.00 H new ATOM 0 HA ARG A 261 -10.312 -0.416 -1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -11.852 -1.700 -3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -11.427 -0.709 -4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -9.057 -1.516 -4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -9.553 -2.567 -2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -10.444 -2.675 -5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -9.539 -3.887 -4.988 1.00 0.00 H new ATOM 0 HE ARG A 261 -11.876 -3.715 -3.536 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -11.139 -4.169 -6.965 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -12.595 -5.123 -7.267 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -13.738 -4.943 -3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -14.058 -5.559 -5.563 1.00 0.00 H new ATOM 772 N TYR A 262 -8.391 0.902 -2.463 1.00 0.00 N ATOM 773 CA TYR A 262 -7.216 1.636 -2.920 1.00 0.00 C ATOM 774 C TYR A 262 -6.280 0.730 -3.712 1.00 0.00 C ATOM 775 O TYR A 262 -5.706 1.144 -4.719 1.00 0.00 O ATOM 776 CB TYR A 262 -6.477 2.244 -1.727 1.00 0.00 C ATOM 777 CG TYR A 262 -7.242 3.355 -1.045 1.00 0.00 C ATOM 778 CD1 TYR A 262 -8.291 3.072 -0.178 1.00 0.00 C ATOM 779 CD2 TYR A 262 -6.918 4.687 -1.268 1.00 0.00 C ATOM 780 CE1 TYR A 262 -8.995 4.084 0.446 1.00 0.00 C ATOM 781 CE2 TYR A 262 -7.616 5.705 -0.646 1.00 0.00 C ATOM 782 CZ TYR A 262 -8.654 5.398 0.209 1.00 0.00 C ATOM 783 OH TYR A 262 -9.351 6.408 0.829 1.00 0.00 O ATOM 0 H TYR A 262 -8.296 0.488 -1.536 1.00 0.00 H new ATOM 0 HA TYR A 262 -7.550 2.438 -3.578 1.00 0.00 H new ATOM 0 HB2 TYR A 262 -6.268 1.459 -1.001 1.00 0.00 H new ATOM 0 HB3 TYR A 262 -5.515 2.630 -2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 262 -8.560 2.043 0.011 1.00 0.00 H new ATOM 0 HD2 TYR A 262 -6.107 4.931 -1.938 1.00 0.00 H new ATOM 0 HE1 TYR A 262 -9.808 3.846 1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 262 -7.350 6.736 -0.829 1.00 0.00 H new ATOM 0 HH TYR A 262 -10.185 6.050 1.200 1.00 0.00 H new ATOM 793 N PHE A 263 -6.134 -0.510 -3.254 1.00 0.00 N ATOM 794 CA PHE A 263 -5.271 -1.474 -3.924 1.00 0.00 C ATOM 795 C PHE A 263 -5.825 -2.887 -3.781 1.00 0.00 C ATOM 796 O PHE A 263 -6.804 -3.110 -3.070 1.00 0.00 O ATOM 797 CB PHE A 263 -3.850 -1.407 -3.356 1.00 0.00 C ATOM 798 CG PHE A 263 -3.801 -1.348 -1.856 1.00 0.00 C ATOM 799 CD1 PHE A 263 -3.975 -0.145 -1.191 1.00 0.00 C ATOM 800 CD2 PHE A 263 -3.577 -2.495 -1.110 1.00 0.00 C ATOM 801 CE1 PHE A 263 -3.927 -0.086 0.188 1.00 0.00 C ATOM 802 CE2 PHE A 263 -3.529 -2.443 0.270 1.00 0.00 C ATOM 803 CZ PHE A 263 -3.702 -1.236 0.920 1.00 0.00 C ATOM 0 H PHE A 263 -6.602 -0.869 -2.422 1.00 0.00 H new ATOM 0 HA PHE A 263 -5.239 -1.220 -4.984 1.00 0.00 H new ATOM 0 HB2 PHE A 263 -3.291 -2.280 -3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 263 -3.347 -0.529 -3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 263 -4.150 0.757 -1.758 1.00 0.00 H new ATOM 0 HD2 PHE A 263 -3.438 -3.440 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE A 263 -4.065 0.858 0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 263 -3.357 -3.344 0.840 1.00 0.00 H new ATOM 0 HZ PHE A 263 -3.661 -1.192 1.998 1.00 0.00 H new ATOM 813 N GLN A 264 -5.194 -3.838 -4.462 1.00 0.00 N ATOM 814 CA GLN A 264 -5.629 -5.230 -4.410 1.00 0.00 C ATOM 815 C GLN A 264 -4.690 -6.062 -3.543 1.00 0.00 C ATOM 816 O GLN A 264 -3.474 -6.049 -3.736 1.00 0.00 O ATOM 817 CB GLN A 264 -5.696 -5.818 -5.821 1.00 0.00 C ATOM 818 CG GLN A 264 -6.422 -7.152 -5.889 1.00 0.00 C ATOM 819 CD GLN A 264 -7.806 -7.096 -5.272 1.00 0.00 C ATOM 820 OE1 GLN A 264 -8.155 -7.918 -4.426 1.00 0.00 O ATOM 821 NE2 GLN A 264 -8.603 -6.121 -5.694 1.00 0.00 N ATOM 0 H GLN A 264 -4.381 -3.671 -5.055 1.00 0.00 H new ATOM 0 HA GLN A 264 -6.624 -5.257 -3.965 1.00 0.00 H new ATOM 0 HB2 GLN A 264 -6.196 -5.107 -6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 264 -4.682 -5.945 -6.201 1.00 0.00 H new ATOM 0 HG2 GLN A 264 -6.505 -7.463 -6.930 1.00 0.00 H new ATOM 0 HG3 GLN A 264 -5.830 -7.910 -5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 264 -8.272 -5.461 -6.398 1.00 0.00 H new ATOM 0 HE22 GLN A 264 -9.546 -6.033 -5.314 1.00 0.00 H new ATOM 830 N CYS A 265 -5.266 -6.786 -2.589 1.00 0.00 N ATOM 831 CA CYS A 265 -4.484 -7.627 -1.692 1.00 0.00 C ATOM 832 C CYS A 265 -5.326 -8.781 -1.157 1.00 0.00 C ATOM 833 O CYS A 265 -6.556 -8.717 -1.158 1.00 0.00 O ATOM 834 CB CYS A 265 -3.936 -6.798 -0.528 1.00 0.00 C ATOM 835 SG CYS A 265 -5.179 -5.777 0.298 1.00 0.00 S ATOM 0 H CYS A 265 -6.271 -6.807 -2.418 1.00 0.00 H new ATOM 0 HA CYS A 265 -3.650 -8.041 -2.258 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -3.488 -7.470 0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -3.139 -6.153 -0.898 1.00 0.00 H new ATOM 0 HG CYS A 265 -4.780 -4.540 0.319 1.00 0.00 H new ATOM 841 N GLN A 266 -4.658 -9.835 -0.703 1.00 0.00 N ATOM 842 CA GLN A 266 -5.347 -11.003 -0.167 1.00 0.00 C ATOM 843 C GLN A 266 -6.191 -10.624 1.049 1.00 0.00 C ATOM 844 O GLN A 266 -6.024 -9.547 1.619 1.00 0.00 O ATOM 845 CB GLN A 266 -4.337 -12.087 0.216 1.00 0.00 C ATOM 846 CG GLN A 266 -3.912 -12.960 -0.952 1.00 0.00 C ATOM 847 CD GLN A 266 -4.904 -14.069 -1.243 1.00 0.00 C ATOM 848 OE1 GLN A 266 -4.842 -15.146 -0.648 1.00 0.00 O ATOM 849 NE2 GLN A 266 -5.827 -13.812 -2.163 1.00 0.00 N ATOM 0 H GLN A 266 -3.640 -9.905 -0.695 1.00 0.00 H new ATOM 0 HA GLN A 266 -6.009 -11.392 -0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 266 -3.454 -11.614 0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 266 -4.770 -12.718 0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 266 -3.795 -12.340 -1.841 1.00 0.00 H new ATOM 0 HG3 GLN A 266 -2.937 -13.397 -0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 266 -5.842 -12.906 -2.631 1.00 0.00 H new ATOM 0 HE22 GLN A 266 -6.521 -14.521 -2.401 1.00 0.00 H new ATOM 858 N PRO A 267 -7.114 -11.510 1.460 1.00 0.00 N ATOM 859 CA PRO A 267 -7.986 -11.263 2.613 1.00 0.00 C ATOM 860 C PRO A 267 -7.195 -11.058 3.901 1.00 0.00 C ATOM 861 O PRO A 267 -6.344 -11.873 4.256 1.00 0.00 O ATOM 862 CB PRO A 267 -8.838 -12.534 2.707 1.00 0.00 C ATOM 863 CG PRO A 267 -8.745 -13.166 1.362 1.00 0.00 C ATOM 864 CD PRO A 267 -7.382 -12.816 0.837 1.00 0.00 C ATOM 0 HA PRO A 267 -8.573 -10.353 2.487 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -8.464 -13.202 3.483 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -9.871 -12.298 2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -8.873 -14.246 1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -9.526 -12.793 0.700 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -6.637 -13.559 1.121 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -7.372 -12.754 -0.251 1.00 0.00 H new ATOM 872 N LYS A 268 -7.484 -9.964 4.599 1.00 0.00 N ATOM 873 CA LYS A 268 -6.804 -9.647 5.851 1.00 0.00 C ATOM 874 C LYS A 268 -5.320 -9.358 5.624 1.00 0.00 C ATOM 875 O LYS A 268 -4.537 -9.325 6.573 1.00 0.00 O ATOM 876 CB LYS A 268 -6.960 -10.799 6.848 1.00 0.00 C ATOM 877 CG LYS A 268 -8.403 -11.234 7.055 1.00 0.00 C ATOM 878 CD LYS A 268 -8.937 -10.788 8.410 1.00 0.00 C ATOM 879 CE LYS A 268 -10.064 -9.779 8.262 1.00 0.00 C ATOM 880 NZ LYS A 268 -10.516 -9.254 9.580 1.00 0.00 N ATOM 0 H LYS A 268 -8.187 -9.280 4.318 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.268 -8.749 6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -6.379 -11.652 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -6.539 -10.498 7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -9.026 -10.817 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -8.471 -12.319 6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -9.295 -11.656 8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -8.128 -10.348 8.994 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -9.730 -8.951 7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -10.905 -10.247 7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -11.285 -8.569 9.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -10.859 -10.040 10.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -9.720 -8.785 10.058 1.00 0.00 H new ATOM 894 N TYR A 269 -4.937 -9.143 4.366 1.00 0.00 N ATOM 895 CA TYR A 269 -3.545 -8.854 4.033 1.00 0.00 C ATOM 896 C TYR A 269 -3.361 -7.377 3.689 1.00 0.00 C ATOM 897 O TYR A 269 -2.363 -6.995 3.082 1.00 0.00 O ATOM 898 CB TYR A 269 -3.086 -9.714 2.853 1.00 0.00 C ATOM 899 CG TYR A 269 -2.668 -11.116 3.238 1.00 0.00 C ATOM 900 CD1 TYR A 269 -3.329 -11.812 4.240 1.00 0.00 C ATOM 901 CD2 TYR A 269 -1.611 -11.745 2.591 1.00 0.00 C ATOM 902 CE1 TYR A 269 -2.951 -13.093 4.589 1.00 0.00 C ATOM 903 CE2 TYR A 269 -1.226 -13.027 2.934 1.00 0.00 C ATOM 904 CZ TYR A 269 -1.898 -13.697 3.932 1.00 0.00 C ATOM 905 OH TYR A 269 -1.519 -14.974 4.276 1.00 0.00 O ATOM 0 H TYR A 269 -5.568 -9.164 3.565 1.00 0.00 H new ATOM 0 HA TYR A 269 -2.938 -9.090 4.907 1.00 0.00 H new ATOM 0 HB2 TYR A 269 -3.895 -9.774 2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 269 -2.249 -9.219 2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 269 -4.154 -11.343 4.756 1.00 0.00 H new ATOM 0 HD2 TYR A 269 -1.082 -11.223 1.807 1.00 0.00 H new ATOM 0 HE1 TYR A 269 -3.476 -13.620 5.372 1.00 0.00 H new ATOM 0 HE2 TYR A 269 -0.402 -13.501 2.422 1.00 0.00 H new ATOM 0 HH TYR A 269 -0.763 -15.252 3.718 1.00 0.00 H new ATOM 915 N GLY A 270 -4.330 -6.549 4.074 1.00 0.00 N ATOM 916 CA GLY A 270 -4.246 -5.129 3.790 1.00 0.00 C ATOM 917 C GLY A 270 -4.210 -4.282 5.046 1.00 0.00 C ATOM 918 O GLY A 270 -5.087 -4.391 5.903 1.00 0.00 O ATOM 0 H GLY A 270 -5.170 -6.837 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -3.351 -4.933 3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -5.101 -4.833 3.182 1.00 0.00 H new ATOM 922 N LEU A 271 -3.195 -3.434 5.151 1.00 0.00 N ATOM 923 CA LEU A 271 -3.043 -2.559 6.307 1.00 0.00 C ATOM 924 C LEU A 271 -2.736 -1.132 5.863 1.00 0.00 C ATOM 925 O LEU A 271 -1.797 -0.897 5.102 1.00 0.00 O ATOM 926 CB LEU A 271 -1.935 -3.078 7.224 1.00 0.00 C ATOM 927 CG LEU A 271 -2.114 -2.749 8.708 1.00 0.00 C ATOM 928 CD1 LEU A 271 -3.378 -3.400 9.252 1.00 0.00 C ATOM 929 CD2 LEU A 271 -0.895 -3.194 9.503 1.00 0.00 C ATOM 0 H LEU A 271 -2.463 -3.333 4.448 1.00 0.00 H new ATOM 0 HA LEU A 271 -3.982 -2.554 6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 271 -1.870 -4.160 7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 271 -0.984 -2.665 6.888 1.00 0.00 H new ATOM 0 HG LEU A 271 -2.215 -1.669 8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 271 -3.488 -3.155 10.308 1.00 0.00 H new ATOM 0 HD12 LEU A 271 -4.243 -3.031 8.702 1.00 0.00 H new ATOM 0 HD13 LEU A 271 -3.309 -4.482 9.136 1.00 0.00 H new ATOM 0 HD21 LEU A 271 -1.039 -2.952 10.556 1.00 0.00 H new ATOM 0 HD22 LEU A 271 -0.762 -4.270 9.393 1.00 0.00 H new ATOM 0 HD23 LEU A 271 -0.010 -2.679 9.131 1.00 0.00 H new ATOM 941 N PHE A 272 -3.537 -0.184 6.336 1.00 0.00 N ATOM 942 CA PHE A 272 -3.357 1.220 5.980 1.00 0.00 C ATOM 943 C PHE A 272 -2.673 1.992 7.103 1.00 0.00 C ATOM 944 O PHE A 272 -3.255 2.192 8.166 1.00 0.00 O ATOM 945 CB PHE A 272 -4.712 1.860 5.670 1.00 0.00 C ATOM 946 CG PHE A 272 -5.256 1.506 4.315 1.00 0.00 C ATOM 947 CD1 PHE A 272 -5.368 0.181 3.925 1.00 0.00 C ATOM 948 CD2 PHE A 272 -5.659 2.498 3.438 1.00 0.00 C ATOM 949 CE1 PHE A 272 -5.872 -0.146 2.680 1.00 0.00 C ATOM 950 CE2 PHE A 272 -6.163 2.176 2.191 1.00 0.00 C ATOM 951 CZ PHE A 272 -6.269 0.851 1.811 1.00 0.00 C ATOM 0 H PHE A 272 -4.318 -0.362 6.967 1.00 0.00 H new ATOM 0 HA PHE A 272 -2.720 1.262 5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 272 -5.430 1.554 6.431 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -4.616 2.943 5.741 1.00 0.00 H new ATOM 0 HD1 PHE A 272 -5.059 -0.603 4.600 1.00 0.00 H new ATOM 0 HD2 PHE A 272 -5.579 3.535 3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 272 -5.955 -1.182 2.387 1.00 0.00 H new ATOM 0 HE2 PHE A 272 -6.473 2.959 1.515 1.00 0.00 H new ATOM 0 HZ PHE A 272 -6.661 0.596 0.837 1.00 0.00 H new ATOM 961 N ALA A 273 -1.444 2.438 6.856 1.00 0.00 N ATOM 962 CA ALA A 273 -0.698 3.203 7.848 1.00 0.00 C ATOM 963 C ALA A 273 0.081 4.340 7.188 1.00 0.00 C ATOM 964 O ALA A 273 0.525 4.221 6.047 1.00 0.00 O ATOM 965 CB ALA A 273 0.243 2.305 8.638 1.00 0.00 C ATOM 0 H ALA A 273 -0.946 2.283 5.980 1.00 0.00 H new ATOM 0 HA ALA A 273 -1.419 3.636 8.541 1.00 0.00 H new ATOM 0 HB1 ALA A 273 0.786 2.902 9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 273 -0.334 1.536 9.152 1.00 0.00 H new ATOM 0 HB3 ALA A 273 0.951 1.832 7.958 1.00 0.00 H new ATOM 971 N PRO A 274 0.254 5.461 7.907 1.00 0.00 N ATOM 972 CA PRO A 274 0.977 6.630 7.400 1.00 0.00 C ATOM 973 C PRO A 274 2.332 6.270 6.801 1.00 0.00 C ATOM 974 O PRO A 274 2.867 5.191 7.053 1.00 0.00 O ATOM 975 CB PRO A 274 1.171 7.495 8.642 1.00 0.00 C ATOM 976 CG PRO A 274 0.056 7.119 9.553 1.00 0.00 C ATOM 977 CD PRO A 274 -0.251 5.674 9.277 1.00 0.00 C ATOM 0 HA PRO A 274 0.429 7.120 6.595 1.00 0.00 H new ATOM 0 HB2 PRO A 274 2.139 7.308 9.106 1.00 0.00 H new ATOM 0 HB3 PRO A 274 1.137 8.556 8.393 1.00 0.00 H new ATOM 0 HG2 PRO A 274 0.341 7.263 10.595 1.00 0.00 H new ATOM 0 HG3 PRO A 274 -0.819 7.743 9.373 1.00 0.00 H new ATOM 0 HD2 PRO A 274 0.243 5.017 9.992 1.00 0.00 H new ATOM 0 HD3 PRO A 274 -1.320 5.472 9.345 1.00 0.00 H new ATOM 985 N VAL A 275 2.881 7.188 6.013 1.00 0.00 N ATOM 986 CA VAL A 275 4.177 6.977 5.382 1.00 0.00 C ATOM 987 C VAL A 275 5.299 7.030 6.414 1.00 0.00 C ATOM 988 O VAL A 275 6.306 6.331 6.287 1.00 0.00 O ATOM 989 CB VAL A 275 4.443 8.026 4.284 1.00 0.00 C ATOM 990 CG1 VAL A 275 4.473 9.429 4.874 1.00 0.00 C ATOM 991 CG2 VAL A 275 5.739 7.719 3.549 1.00 0.00 C ATOM 0 H VAL A 275 2.448 8.086 5.796 1.00 0.00 H new ATOM 0 HA VAL A 275 4.156 5.988 4.925 1.00 0.00 H new ATOM 0 HB VAL A 275 3.626 7.980 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 275 4.662 10.153 4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 275 3.514 9.647 5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 275 5.265 9.493 5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 275 5.907 8.471 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 275 6.569 7.731 4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 275 5.670 6.735 3.086 1.00 0.00 H new ATOM 1001 N HIS A 276 5.120 7.860 7.440 1.00 0.00 N ATOM 1002 CA HIS A 276 6.119 7.995 8.493 1.00 0.00 C ATOM 1003 C HIS A 276 6.098 6.786 9.421 1.00 0.00 C ATOM 1004 O HIS A 276 7.112 6.438 10.027 1.00 0.00 O ATOM 1005 CB HIS A 276 5.886 9.279 9.298 1.00 0.00 C ATOM 1006 CG HIS A 276 4.467 9.475 9.731 1.00 0.00 C ATOM 1007 ND1 HIS A 276 3.610 8.646 10.376 1.00 0.00 N flip ATOM 1008 CD2 HIS A 276 3.771 10.646 9.515 1.00 0.00 C flip ATOM 1009 CE1 HIS A 276 2.429 9.326 10.537 1.00 0.00 C flip ATOM 1010 NE2 HIS A 276 2.551 10.530 10.011 1.00 0.00 N flip ATOM 0 H HIS A 276 4.295 8.447 7.563 1.00 0.00 H new ATOM 0 HA HIS A 276 7.099 8.051 8.019 1.00 0.00 H new ATOM 0 HB2 HIS A 276 6.526 9.264 10.180 1.00 0.00 H new ATOM 0 HB3 HIS A 276 6.193 10.134 8.696 1.00 0.00 H new ATOM 0 HD2 HIS A 276 4.162 11.522 9.018 1.00 0.00 H new ATOM 0 HE1 HIS A 276 1.543 8.938 11.017 1.00 0.00 H new ATOM 0 HE2 HIS A 276 1.827 11.249 9.991 1.00 0.00 H new ATOM 1019 N LYS A 277 4.938 6.139 9.521 1.00 0.00 N ATOM 1020 CA LYS A 277 4.792 4.961 10.368 1.00 0.00 C ATOM 1021 C LYS A 277 5.365 3.728 9.679 1.00 0.00 C ATOM 1022 O LYS A 277 5.672 2.729 10.331 1.00 0.00 O ATOM 1023 CB LYS A 277 3.319 4.724 10.705 1.00 0.00 C ATOM 1024 CG LYS A 277 2.806 5.592 11.842 1.00 0.00 C ATOM 1025 CD LYS A 277 2.393 4.750 13.040 1.00 0.00 C ATOM 1026 CE LYS A 277 3.488 4.701 14.093 1.00 0.00 C ATOM 1027 NZ LYS A 277 3.765 6.045 14.671 1.00 0.00 N ATOM 0 H LYS A 277 4.089 6.411 9.026 1.00 0.00 H new ATOM 0 HA LYS A 277 5.345 5.138 11.291 1.00 0.00 H new ATOM 0 HB2 LYS A 277 2.717 4.912 9.816 1.00 0.00 H new ATOM 0 HB3 LYS A 277 3.180 3.676 10.968 1.00 0.00 H new ATOM 0 HG2 LYS A 277 3.581 6.298 12.141 1.00 0.00 H new ATOM 0 HG3 LYS A 277 1.955 6.180 11.498 1.00 0.00 H new ATOM 0 HD2 LYS A 277 1.484 5.161 13.478 1.00 0.00 H new ATOM 0 HD3 LYS A 277 2.158 3.738 12.711 1.00 0.00 H new ATOM 0 HE2 LYS A 277 3.195 4.017 14.889 1.00 0.00 H new ATOM 0 HE3 LYS A 277 4.400 4.302 13.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 277 4.168 5.937 15.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 277 4.441 6.551 14.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 277 2.879 6.587 14.729 1.00 0.00 H new ATOM 1041 N VAL A 278 5.503 3.803 8.361 1.00 0.00 N ATOM 1042 CA VAL A 278 6.037 2.689 7.591 1.00 0.00 C ATOM 1043 C VAL A 278 7.532 2.854 7.341 1.00 0.00 C ATOM 1044 O VAL A 278 8.021 3.965 7.139 1.00 0.00 O ATOM 1045 CB VAL A 278 5.318 2.536 6.238 1.00 0.00 C ATOM 1046 CG1 VAL A 278 5.740 1.249 5.556 1.00 0.00 C ATOM 1047 CG2 VAL A 278 3.811 2.569 6.423 1.00 0.00 C ATOM 0 H VAL A 278 5.253 4.621 7.805 1.00 0.00 H new ATOM 0 HA VAL A 278 5.867 1.792 8.186 1.00 0.00 H new ATOM 0 HB VAL A 278 5.603 3.375 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 278 5.222 1.157 4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 278 6.816 1.264 5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 278 5.485 0.400 6.191 1.00 0.00 H new ATOM 0 HG21 VAL A 278 3.323 2.459 5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 278 3.507 1.752 7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 278 3.520 3.519 6.870 1.00 0.00 H new ATOM 1057 N THR A 279 8.250 1.738 7.360 1.00 0.00 N ATOM 1058 CA THR A 279 9.690 1.750 7.136 1.00 0.00 C ATOM 1059 C THR A 279 10.124 0.525 6.337 1.00 0.00 C ATOM 1060 O THR A 279 9.635 -0.581 6.565 1.00 0.00 O ATOM 1061 CB THR A 279 10.431 1.790 8.473 1.00 0.00 C ATOM 1062 OG1 THR A 279 9.569 2.215 9.514 1.00 0.00 O ATOM 1063 CG2 THR A 279 11.628 2.713 8.464 1.00 0.00 C ATOM 0 H THR A 279 7.858 0.812 7.529 1.00 0.00 H new ATOM 0 HA THR A 279 9.939 2.643 6.562 1.00 0.00 H new ATOM 0 HB THR A 279 10.778 0.770 8.641 1.00 0.00 H new ATOM 0 HG1 THR A 279 10.062 2.232 10.361 1.00 0.00 H new ATOM 0 HG21 THR A 279 12.109 2.695 9.442 1.00 0.00 H new ATOM 0 HG22 THR A 279 12.337 2.382 7.705 1.00 0.00 H new ATOM 0 HG23 THR A 279 11.303 3.729 8.238 1.00 0.00 H new ATOM 1071 N LYS A 280 11.044 0.730 5.401 1.00 0.00 N ATOM 1072 CA LYS A 280 11.542 -0.360 4.571 1.00 0.00 C ATOM 1073 C LYS A 280 12.259 -1.403 5.423 1.00 0.00 C ATOM 1074 O LYS A 280 13.126 -1.070 6.231 1.00 0.00 O ATOM 1075 CB LYS A 280 12.484 0.180 3.493 1.00 0.00 C ATOM 1076 CG LYS A 280 11.863 0.212 2.106 1.00 0.00 C ATOM 1077 CD LYS A 280 12.903 0.507 1.037 1.00 0.00 C ATOM 1078 CE LYS A 280 13.300 -0.751 0.281 1.00 0.00 C ATOM 1079 NZ LYS A 280 13.618 -0.467 -1.145 1.00 0.00 N ATOM 0 H LYS A 280 11.459 1.639 5.198 1.00 0.00 H new ATOM 0 HA LYS A 280 10.690 -0.837 4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 280 12.796 1.188 3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.383 -0.436 3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 280 11.387 -0.746 1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 280 11.081 0.971 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 280 12.508 1.243 0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 280 13.786 0.948 1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 280 14.166 -1.205 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 280 12.489 -1.477 0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 13.884 -1.351 -1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 12.784 -0.057 -1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 14.409 0.206 -1.197 1.00 0.00 H new ATOM 1093 N ILE A 281 11.889 -2.666 5.237 1.00 0.00 N ATOM 1094 CA ILE A 281 12.496 -3.759 5.987 1.00 0.00 C ATOM 1095 C ILE A 281 13.876 -4.107 5.436 1.00 0.00 C ATOM 1096 O ILE A 281 14.750 -4.567 6.170 1.00 0.00 O ATOM 1097 CB ILE A 281 11.605 -5.018 5.961 1.00 0.00 C ATOM 1098 CG1 ILE A 281 12.225 -6.134 6.803 1.00 0.00 C ATOM 1099 CG2 ILE A 281 11.388 -5.484 4.529 1.00 0.00 C ATOM 1100 CD1 ILE A 281 11.229 -7.186 7.238 1.00 0.00 C ATOM 0 H ILE A 281 11.172 -2.958 4.573 1.00 0.00 H new ATOM 0 HA ILE A 281 12.600 -3.419 7.017 1.00 0.00 H new ATOM 0 HB ILE A 281 10.636 -4.765 6.392 1.00 0.00 H new ATOM 0 HG12 ILE A 281 13.019 -6.612 6.230 1.00 0.00 H new ATOM 0 HG13 ILE A 281 12.689 -5.696 7.687 1.00 0.00 H new ATOM 0 HG21 ILE A 281 10.757 -6.373 4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 281 10.901 -4.693 3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 281 12.350 -5.720 4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 281 11.738 -7.946 7.831 1.00 0.00 H new ATOM 0 HD12 ILE A 281 10.447 -6.721 7.838 1.00 0.00 H new ATOM 0 HD13 ILE A 281 10.783 -7.651 6.359 1.00 0.00 H new ATOM 1112 N GLY A 282 14.064 -3.884 4.139 1.00 0.00 N ATOM 1113 CA GLY A 282 15.340 -4.178 3.515 1.00 0.00 C ATOM 1114 C GLY A 282 16.465 -3.316 4.055 1.00 0.00 C ATOM 1115 O GLY A 282 16.821 -3.414 5.229 1.00 0.00 O ATOM 0 H GLY A 282 13.356 -3.505 3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 282 15.584 -5.229 3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 282 15.257 -4.028 2.439 1.00 0.00 H new ATOM 1119 N PHE A 283 17.023 -2.469 3.196 1.00 0.00 N ATOM 1120 CA PHE A 283 18.113 -1.586 3.594 1.00 0.00 C ATOM 1121 C PHE A 283 17.631 -0.142 3.708 1.00 0.00 C ATOM 1122 O PHE A 283 16.737 0.282 2.974 1.00 0.00 O ATOM 1123 CB PHE A 283 19.261 -1.673 2.589 1.00 0.00 C ATOM 1124 CG PHE A 283 19.688 -3.082 2.285 1.00 0.00 C ATOM 1125 CD1 PHE A 283 20.016 -3.955 3.308 1.00 0.00 C ATOM 1126 CD2 PHE A 283 19.759 -3.530 0.975 1.00 0.00 C ATOM 1127 CE1 PHE A 283 20.408 -5.252 3.031 1.00 0.00 C ATOM 1128 CE2 PHE A 283 20.150 -4.825 0.693 1.00 0.00 C ATOM 1129 CZ PHE A 283 20.476 -5.687 1.722 1.00 0.00 C ATOM 0 H PHE A 283 16.739 -2.376 2.221 1.00 0.00 H new ATOM 0 HA PHE A 283 18.470 -1.910 4.572 1.00 0.00 H new ATOM 0 HB2 PHE A 283 18.959 -1.185 1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 283 20.116 -1.119 2.977 1.00 0.00 H new ATOM 0 HD1 PHE A 283 19.965 -3.620 4.333 1.00 0.00 H new ATOM 0 HD2 PHE A 283 19.506 -2.860 0.167 1.00 0.00 H new ATOM 0 HE1 PHE A 283 20.661 -5.924 3.838 1.00 0.00 H new ATOM 0 HE2 PHE A 283 20.201 -5.163 -0.331 1.00 0.00 H new ATOM 0 HZ PHE A 283 20.783 -6.699 1.503 1.00 0.00 H new TER 1139 PHE A 283 ATOM 1140 N GLY B 444 5.249 10.242 21.725 1.00 0.00 N ATOM 1141 CA GLY B 444 4.435 10.670 20.601 1.00 0.00 C ATOM 1142 C GLY B 444 3.421 9.622 20.187 1.00 0.00 C ATOM 1143 O GLY B 444 2.215 9.838 20.298 1.00 0.00 O ATOM 0 HA2 GLY B 444 3.914 11.591 20.863 1.00 0.00 H new ATOM 0 HA3 GLY B 444 5.082 10.899 19.754 1.00 0.00 H new ATOM 1146 N GLU B 445 3.912 8.483 19.710 1.00 0.00 N ATOM 1147 CA GLU B 445 3.040 7.397 19.277 1.00 0.00 C ATOM 1148 C GLU B 445 3.854 6.162 18.903 1.00 0.00 C ATOM 1149 O GLU B 445 5.064 6.115 19.118 1.00 0.00 O ATOM 1150 CB GLU B 445 2.186 7.844 18.088 1.00 0.00 C ATOM 1151 CG GLU B 445 0.699 7.602 18.282 1.00 0.00 C ATOM 1152 CD GLU B 445 -0.041 8.848 18.730 1.00 0.00 C ATOM 1153 OE1 GLU B 445 0.063 9.881 18.038 1.00 0.00 O ATOM 1154 OE2 GLU B 445 -0.722 8.790 19.777 1.00 0.00 O ATOM 0 H GLU B 445 4.909 8.288 19.613 1.00 0.00 H new ATOM 0 HA GLU B 445 2.383 7.137 20.107 1.00 0.00 H new ATOM 0 HB2 GLU B 445 2.353 8.907 17.911 1.00 0.00 H new ATOM 0 HB3 GLU B 445 2.518 7.316 17.194 1.00 0.00 H new ATOM 0 HG2 GLU B 445 0.268 7.244 17.347 1.00 0.00 H new ATOM 0 HG3 GLU B 445 0.556 6.814 19.021 1.00 0.00 H new ATOM 1161 N GLU B 446 3.179 5.164 18.339 1.00 0.00 N ATOM 1162 CA GLU B 446 3.840 3.927 17.936 1.00 0.00 C ATOM 1163 C GLU B 446 2.849 2.971 17.277 1.00 0.00 C ATOM 1164 O GLU B 446 3.178 2.296 16.301 1.00 0.00 O ATOM 1165 CB GLU B 446 4.490 3.252 19.144 1.00 0.00 C ATOM 1166 CG GLU B 446 3.536 3.031 20.307 1.00 0.00 C ATOM 1167 CD GLU B 446 4.159 3.371 21.646 1.00 0.00 C ATOM 1168 OE1 GLU B 446 5.398 3.271 21.767 1.00 0.00 O ATOM 1169 OE2 GLU B 446 3.408 3.734 22.575 1.00 0.00 O ATOM 0 H GLU B 446 2.177 5.188 18.151 1.00 0.00 H new ATOM 0 HA GLU B 446 4.614 4.179 17.211 1.00 0.00 H new ATOM 0 HB2 GLU B 446 4.901 2.291 18.835 1.00 0.00 H new ATOM 0 HB3 GLU B 446 5.327 3.862 19.483 1.00 0.00 H new ATOM 0 HG2 GLU B 446 2.644 3.640 20.161 1.00 0.00 H new ATOM 0 HG3 GLU B 446 3.214 1.990 20.315 1.00 0.00 H new ATOM 1176 N GLU B 447 1.636 2.919 17.818 1.00 0.00 N ATOM 1177 CA GLU B 447 0.597 2.046 17.284 1.00 0.00 C ATOM 1178 C GLU B 447 -0.762 2.736 17.318 1.00 0.00 C ATOM 1179 O GLU B 447 -0.951 3.722 18.029 1.00 0.00 O ATOM 1180 CB GLU B 447 0.540 0.741 18.078 1.00 0.00 C ATOM 1181 CG GLU B 447 1.906 0.146 18.372 1.00 0.00 C ATOM 1182 CD GLU B 447 1.857 -0.931 19.440 1.00 0.00 C ATOM 1183 OE1 GLU B 447 0.992 -0.837 20.337 1.00 0.00 O ATOM 1184 OE2 GLU B 447 2.683 -1.865 19.381 1.00 0.00 O ATOM 0 H GLU B 447 1.348 3.471 18.626 1.00 0.00 H new ATOM 0 HA GLU B 447 0.844 1.820 16.247 1.00 0.00 H new ATOM 0 HB2 GLU B 447 0.022 0.921 19.020 1.00 0.00 H new ATOM 0 HB3 GLU B 447 -0.052 0.013 17.522 1.00 0.00 H new ATOM 0 HG2 GLU B 447 2.319 -0.275 17.456 1.00 0.00 H new ATOM 0 HG3 GLU B 447 2.582 0.939 18.692 1.00 0.00 H new ATOM 1191 N GLY B 448 -1.710 2.210 16.546 1.00 0.00 N ATOM 1192 CA GLY B 448 -3.039 2.791 16.506 1.00 0.00 C ATOM 1193 C GLY B 448 -3.246 3.711 15.317 1.00 0.00 C ATOM 1194 O GLY B 448 -4.366 4.150 15.054 1.00 0.00 O ATOM 0 H GLY B 448 -1.581 1.393 15.949 1.00 0.00 H new ATOM 0 HA2 GLY B 448 -3.779 1.991 16.473 1.00 0.00 H new ATOM 0 HA3 GLY B 448 -3.214 3.349 17.426 1.00 0.00 H new ATOM 1198 N GLU B 449 -2.167 4.011 14.598 1.00 0.00 N ATOM 1199 CA GLU B 449 -2.244 4.891 13.435 1.00 0.00 C ATOM 1200 C GLU B 449 -2.373 4.085 12.149 1.00 0.00 C ATOM 1201 O GLU B 449 -1.938 4.529 11.090 1.00 0.00 O ATOM 1202 CB GLU B 449 -1.002 5.777 13.345 1.00 0.00 C ATOM 1203 CG GLU B 449 -0.442 6.194 14.697 1.00 0.00 C ATOM 1204 CD GLU B 449 0.223 7.556 14.654 1.00 0.00 C ATOM 1205 OE1 GLU B 449 -0.272 8.438 13.923 1.00 0.00 O ATOM 1206 OE2 GLU B 449 1.243 7.740 15.354 1.00 0.00 O ATOM 0 H GLU B 449 -1.231 3.659 14.800 1.00 0.00 H new ATOM 0 HA GLU B 449 -3.129 5.516 13.556 1.00 0.00 H new ATOM 0 HB2 GLU B 449 -0.228 5.246 12.791 1.00 0.00 H new ATOM 0 HB3 GLU B 449 -1.247 6.672 12.773 1.00 0.00 H new ATOM 0 HG2 GLU B 449 -1.247 6.209 15.431 1.00 0.00 H new ATOM 0 HG3 GLU B 449 0.281 5.450 15.032 1.00 0.00 H new ATOM 1213 N GLU B 450 -2.965 2.902 12.241 1.00 0.00 N ATOM 1214 CA GLU B 450 -3.129 2.059 11.067 1.00 0.00 C ATOM 1215 C GLU B 450 -4.484 1.358 11.072 1.00 0.00 C ATOM 1216 O GLU B 450 -5.064 1.109 12.129 1.00 0.00 O ATOM 1217 CB GLU B 450 -1.995 1.035 10.985 1.00 0.00 C ATOM 1218 CG GLU B 450 -2.135 -0.122 11.963 1.00 0.00 C ATOM 1219 CD GLU B 450 -2.206 0.338 13.406 1.00 0.00 C ATOM 1220 OE1 GLU B 450 -1.225 0.947 13.883 1.00 0.00 O ATOM 1221 OE2 GLU B 450 -3.241 0.091 14.058 1.00 0.00 O ATOM 0 H GLU B 450 -3.335 2.509 13.106 1.00 0.00 H new ATOM 0 HA GLU B 450 -3.089 2.699 10.185 1.00 0.00 H new ATOM 0 HB2 GLU B 450 -1.951 0.637 9.971 1.00 0.00 H new ATOM 0 HB3 GLU B 450 -1.048 1.541 11.170 1.00 0.00 H new ATOM 0 HG2 GLU B 450 -3.034 -0.689 11.722 1.00 0.00 H new ATOM 0 HG3 GLU B 450 -1.289 -0.799 11.843 1.00 0.00 H new ATOM 1228 N TYR B 451 -4.983 1.048 9.881 1.00 0.00 N ATOM 1229 CA TYR B 451 -6.271 0.380 9.738 1.00 0.00 C ATOM 1230 C TYR B 451 -6.188 -0.752 8.721 1.00 0.00 C ATOM 1231 O TYR B 451 -5.067 -1.250 8.482 1.00 0.00 O ATOM 1232 CB TYR B 451 -7.342 1.386 9.312 1.00 0.00 C ATOM 1233 CG TYR B 451 -7.883 2.214 10.458 1.00 0.00 C ATOM 1234 CD1 TYR B 451 -7.242 3.378 10.862 1.00 0.00 C ATOM 1235 CD2 TYR B 451 -9.034 1.829 11.134 1.00 0.00 C ATOM 1236 CE1 TYR B 451 -7.733 4.136 11.906 1.00 0.00 C ATOM 1237 CE2 TYR B 451 -9.531 2.583 12.180 1.00 0.00 C ATOM 1238 CZ TYR B 451 -8.877 3.734 12.562 1.00 0.00 C ATOM 1239 OH TYR B 451 -9.369 4.488 13.604 1.00 0.00 O ATOM 1240 OXT TYR B 451 -7.242 -1.129 8.171 1.00 0.00 O ATOM 0 H TYR B 451 -4.514 1.249 8.998 1.00 0.00 H new ATOM 0 HA TYR B 451 -6.542 -0.045 10.704 1.00 0.00 H new ATOM 0 HB2 TYR B 451 -6.923 2.053 8.558 1.00 0.00 H new ATOM 0 HB3 TYR B 451 -8.166 0.850 8.841 1.00 0.00 H new ATOM 0 HD1 TYR B 451 -6.345 3.695 10.351 1.00 0.00 H new ATOM 0 HD2 TYR B 451 -9.548 0.927 10.838 1.00 0.00 H new ATOM 0 HE1 TYR B 451 -7.224 5.039 12.207 1.00 0.00 H new ATOM 0 HE2 TYR B 451 -10.428 2.272 12.695 1.00 0.00 H new ATOM 0 HH TYR B 451 -10.181 4.068 13.957 1.00 0.00 H new TER 1250 TYR B 451