USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1009 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 Set 1.1: A 144 HIS :FLIP no HE2:sc= -2.1! C(o=-7.8!,f=-3.5!) USER MOD Set 1.2: A 148 CYS SG : rot 174:sc= -1.37! USER MOD Set 2.1: A 128 CYS SG : rot -79:sc= -2.58! USER MOD Set 2.2: A 137 LYS NZ :NH3+ -169:sc= -5.22! (180deg=-5.39!) USER MOD Set 3.1: A 49 HIS : no HE2:sc= 0.889 K(o=1.9,f=-5.8!) USER MOD Set 3.2: A 94 LYS NZ :NH3+ 161:sc= 1.05 (180deg=0) USER MOD Set 4.1: A 42 HIS : no HE2:sc= -0.77 K(o=-2.6,f=-3.9!) USER MOD Set 4.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 47 LYS NZ :NH3+ -162:sc= -1.83! (180deg=-2.66!) USER MOD Single : A 11 CYS SG : rot 29:sc= -1.07 USER MOD Single : A 35 GLN : amide:sc= -0.0903 K(o=-0.09,f=-2.4!) USER MOD Single : A 59 THR OG1 : rot 83:sc= -4.01! USER MOD Single : A 64 THR OG1 : rot 86:sc= -5.68! USER MOD Single : A 65 GLN : amide:sc= -6.35! C(o=-6.4!,f=-7.3!) USER MOD Single : A 74 GLN : amide:sc= -1.61 K(o=-1.6,f=-3.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN :FLIP amide:sc= -3.81! C(o=-12!,f=-3.8!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.801 USER MOD Single : A 104 LYS NZ :NH3+ 147:sc= 0.432 (180deg=-1.53!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -83:sc= 0.356 USER MOD Single : A 114 HIS : no HD1:sc= -0.0642 X(o=-0.064,f=-0.064) USER MOD Single : A 116 HIS : no HD1:sc= -5.02! C(o=-5!,f=-7.1!) USER MOD Single : A 117 GLN : amide:sc= -0.0112 K(o=-0.011,f=-1.7!) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -7.42! C(o=-7.4!,f=-10!) USER MOD Single : A 132 GLN :FLIP amide:sc= -6.42! C(o=-9.2!,f=-6.4!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -155:sc= -0.738 (180deg=-2.86!) USER MOD Single : A 141 GLN :FLIP amide:sc= -1.8 F(o=-6.4!,f=-1.8) USER MOD Single : A 145 GLN : amide:sc= -0.0678 X(o=-0.068,f=-0.12) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 8.020 -7.663 4.787 1.00 0.00 N ATOM 87 CA LEU A 8 6.774 -8.124 4.117 1.00 0.00 C ATOM 88 C LEU A 8 6.016 -6.917 3.555 1.00 0.00 C ATOM 89 O LEU A 8 5.990 -5.854 4.145 1.00 0.00 O ATOM 90 CB LEU A 8 5.881 -8.854 5.128 1.00 0.00 C ATOM 91 CG LEU A 8 6.736 -9.751 6.037 1.00 0.00 C ATOM 92 CD1 LEU A 8 7.634 -8.884 6.899 1.00 0.00 C ATOM 93 CD2 LEU A 8 5.833 -10.559 6.959 1.00 0.00 C ATOM 0 HA LEU A 8 7.036 -8.803 3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.333 -8.130 5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.140 -9.457 4.602 1.00 0.00 H new ATOM 0 HG LEU A 8 7.332 -10.419 5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.241 -9.518 7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.285 -8.287 6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.022 -8.223 7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.443 -11.194 7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.242 -9.881 7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.167 -11.182 6.362 1.00 0.00 H new ATOM 105 N ARG A 9 5.390 -7.079 2.424 1.00 0.00 N ATOM 106 CA ARG A 9 4.624 -5.950 1.837 1.00 0.00 C ATOM 107 C ARG A 9 3.189 -6.010 2.367 1.00 0.00 C ATOM 108 O ARG A 9 2.557 -7.045 2.348 1.00 0.00 O ATOM 109 CB ARG A 9 4.614 -6.085 0.316 1.00 0.00 C ATOM 110 CG ARG A 9 4.406 -4.710 -0.315 1.00 0.00 C ATOM 111 CD ARG A 9 4.456 -4.840 -1.836 1.00 0.00 C ATOM 112 NE ARG A 9 4.629 -3.490 -2.438 1.00 0.00 N ATOM 113 CZ ARG A 9 3.669 -2.615 -2.357 1.00 0.00 C ATOM 114 NH1 ARG A 9 2.539 -2.939 -1.787 1.00 0.00 N ATOM 115 NH2 ARG A 9 3.829 -1.417 -2.860 1.00 0.00 N ATOM 0 H ARG A 9 5.376 -7.943 1.883 1.00 0.00 H new ATOM 0 HA ARG A 9 5.082 -4.999 2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.554 -6.516 -0.028 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.819 -6.764 0.006 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.446 -4.296 -0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.176 -4.019 0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.280 -5.491 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.539 -5.300 -2.204 1.00 0.00 H new ATOM 0 HE ARG A 9 5.499 -3.251 -2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.410 -3.876 -1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.786 -2.254 -1.723 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.707 -1.168 -3.316 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.076 -0.732 -2.796 1.00 0.00 H new ATOM 129 N ALA A 10 2.673 -4.910 2.848 1.00 0.00 N ATOM 130 CA ALA A 10 1.279 -4.907 3.391 1.00 0.00 C ATOM 131 C ALA A 10 0.561 -3.639 2.938 1.00 0.00 C ATOM 132 O ALA A 10 1.184 -2.647 2.615 1.00 0.00 O ATOM 133 CB ALA A 10 1.327 -4.925 4.924 1.00 0.00 C ATOM 0 H ALA A 10 3.155 -4.012 2.889 1.00 0.00 H new ATOM 0 HA ALA A 10 0.749 -5.786 3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.311 -4.923 5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.846 -5.822 5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.858 -4.043 5.282 1.00 0.00 H new ATOM 139 N CYS A 11 -0.743 -3.650 2.920 1.00 0.00 N ATOM 140 CA CYS A 11 -1.478 -2.427 2.500 1.00 0.00 C ATOM 141 C CYS A 11 -2.811 -2.329 3.244 1.00 0.00 C ATOM 142 O CYS A 11 -3.653 -3.202 3.163 1.00 0.00 O ATOM 143 CB CYS A 11 -1.746 -2.484 0.994 1.00 0.00 C ATOM 144 SG CYS A 11 -0.417 -1.630 0.111 1.00 0.00 S ATOM 0 H CYS A 11 -1.327 -4.447 3.176 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.871 -1.553 2.736 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.808 -3.521 0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.705 -2.019 0.767 1.00 0.00 H new ATOM 0 HG CYS A 11 0.683 -1.710 0.800 1.00 0.00 H new ATOM 150 N GLY A 12 -3.013 -1.250 3.945 1.00 0.00 N ATOM 151 CA GLY A 12 -4.298 -1.057 4.680 1.00 0.00 C ATOM 152 C GLY A 12 -4.953 0.236 4.187 1.00 0.00 C ATOM 153 O GLY A 12 -4.393 0.940 3.367 1.00 0.00 O ATOM 0 H GLY A 12 -2.342 -0.488 4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.961 -1.905 4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.116 -1.003 5.753 1.00 0.00 H new ATOM 157 N LEU A 13 -6.137 0.558 4.650 1.00 0.00 N ATOM 158 CA LEU A 13 -6.789 1.809 4.158 1.00 0.00 C ATOM 159 C LEU A 13 -7.122 2.756 5.309 1.00 0.00 C ATOM 160 O LEU A 13 -7.971 2.471 6.131 1.00 0.00 O ATOM 161 CB LEU A 13 -8.100 1.459 3.429 1.00 0.00 C ATOM 162 CG LEU A 13 -7.982 1.822 1.944 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.338 1.703 1.251 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.491 3.259 1.793 1.00 0.00 C ATOM 0 H LEU A 13 -6.670 0.020 5.333 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.089 2.301 3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.314 0.396 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.933 1.999 3.880 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.274 1.131 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.233 1.965 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.701 0.679 1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.049 2.380 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.411 3.507 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.197 3.937 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.514 3.361 2.265 1.00 0.00 H new ATOM 176 N ILE A 14 -6.522 3.916 5.330 1.00 0.00 N ATOM 177 CA ILE A 14 -6.883 4.905 6.377 1.00 0.00 C ATOM 178 C ILE A 14 -8.123 5.619 5.859 1.00 0.00 C ATOM 179 O ILE A 14 -8.056 6.470 4.995 1.00 0.00 O ATOM 180 CB ILE A 14 -5.745 5.905 6.594 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.600 5.210 7.340 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.245 7.091 7.424 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.384 6.138 7.401 1.00 0.00 C ATOM 0 H ILE A 14 -5.803 4.217 4.671 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.065 4.420 7.336 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.393 6.267 5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.918 4.945 8.348 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.335 4.281 6.835 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.430 7.799 7.575 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.062 7.585 6.898 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.599 6.735 8.391 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.573 5.640 7.932 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.060 6.381 6.389 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.652 7.055 7.926 1.00 0.00 H new ATOM 195 N ILE A 15 -9.250 5.230 6.352 1.00 0.00 N ATOM 196 CA ILE A 15 -10.532 5.808 5.880 1.00 0.00 C ATOM 197 C ILE A 15 -10.908 7.014 6.725 1.00 0.00 C ATOM 198 O ILE A 15 -10.695 7.033 7.918 1.00 0.00 O ATOM 199 CB ILE A 15 -11.579 4.712 6.026 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.200 3.563 5.099 1.00 0.00 C ATOM 201 CG2 ILE A 15 -12.974 5.220 5.668 1.00 0.00 C ATOM 202 CD1 ILE A 15 -11.899 2.282 5.540 1.00 0.00 C ATOM 0 H ILE A 15 -9.344 4.520 7.079 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.457 6.145 4.846 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.604 4.382 7.064 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.480 3.805 4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.120 3.419 5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.696 4.412 5.783 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.242 6.044 6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -12.981 5.568 4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.621 1.467 4.871 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.597 2.035 6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.979 2.427 5.507 1.00 0.00 H new ATOM 214 N PHE A 16 -11.463 8.020 6.106 1.00 0.00 N ATOM 215 CA PHE A 16 -11.859 9.228 6.871 1.00 0.00 C ATOM 216 C PHE A 16 -13.181 9.782 6.342 1.00 0.00 C ATOM 217 O PHE A 16 -13.298 10.157 5.189 1.00 0.00 O ATOM 218 CB PHE A 16 -10.781 10.293 6.723 1.00 0.00 C ATOM 219 CG PHE A 16 -10.757 10.813 5.300 1.00 0.00 C ATOM 220 CD1 PHE A 16 -10.033 10.132 4.307 1.00 0.00 C ATOM 221 CD2 PHE A 16 -11.460 11.979 4.975 1.00 0.00 C ATOM 222 CE1 PHE A 16 -10.018 10.624 2.994 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.441 12.467 3.665 1.00 0.00 C ATOM 224 CZ PHE A 16 -10.722 11.790 2.674 1.00 0.00 C ATOM 0 H PHE A 16 -11.658 8.054 5.105 1.00 0.00 H new ATOM 0 HA PHE A 16 -11.979 8.957 7.920 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -10.971 11.113 7.415 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.808 9.876 6.983 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.490 9.232 4.554 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -12.018 12.502 5.737 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.462 10.102 2.229 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -11.982 13.368 3.418 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.710 12.167 1.662 1.00 0.00 H new ATOM 234 N ARG A 17 -14.170 9.869 7.184 1.00 0.00 N ATOM 235 CA ARG A 17 -15.472 10.428 6.733 1.00 0.00 C ATOM 236 C ARG A 17 -15.330 11.950 6.638 1.00 0.00 C ATOM 237 O ARG A 17 -14.943 12.601 7.588 1.00 0.00 O ATOM 238 CB ARG A 17 -16.556 10.073 7.756 1.00 0.00 C ATOM 239 CG ARG A 17 -17.923 10.553 7.260 1.00 0.00 C ATOM 240 CD ARG A 17 -18.476 9.569 6.225 1.00 0.00 C ATOM 241 NE ARG A 17 -19.760 10.092 5.679 1.00 0.00 N ATOM 242 CZ ARG A 17 -19.748 10.976 4.715 1.00 0.00 C ATOM 243 NH1 ARG A 17 -18.612 11.424 4.250 1.00 0.00 N ATOM 244 NH2 ARG A 17 -20.872 11.415 4.224 1.00 0.00 N ATOM 0 H ARG A 17 -14.134 9.579 8.161 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.750 10.016 5.763 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.576 8.995 7.917 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.326 10.534 8.716 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -18.614 10.639 8.098 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -17.832 11.546 6.819 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -17.756 9.429 5.419 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.634 8.593 6.684 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.648 9.761 6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.732 11.084 4.639 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.605 12.113 3.498 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -21.759 11.069 4.591 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -20.865 12.104 3.472 1.00 0.00 H new ATOM 258 N ARG A 18 -15.613 12.530 5.504 1.00 0.00 N ATOM 259 CA ARG A 18 -15.462 14.007 5.380 1.00 0.00 C ATOM 260 C ARG A 18 -16.819 14.698 5.564 1.00 0.00 C ATOM 261 O ARG A 18 -17.825 14.264 5.040 1.00 0.00 O ATOM 262 CB ARG A 18 -14.891 14.350 4.004 1.00 0.00 C ATOM 263 CG ARG A 18 -14.381 15.789 4.015 1.00 0.00 C ATOM 264 CD ARG A 18 -13.857 16.159 2.627 1.00 0.00 C ATOM 265 NE ARG A 18 -13.105 17.443 2.702 1.00 0.00 N ATOM 266 CZ ARG A 18 -13.745 18.577 2.653 1.00 0.00 C ATOM 267 NH1 ARG A 18 -15.044 18.589 2.569 1.00 0.00 N ATOM 268 NH2 ARG A 18 -13.087 19.700 2.693 1.00 0.00 N ATOM 0 H ARG A 18 -15.939 12.050 4.665 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.781 14.359 6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.080 13.666 3.753 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.658 14.229 3.239 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.183 16.468 4.304 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.588 15.899 4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.209 15.368 2.249 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.687 16.253 1.927 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.089 17.434 2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.561 17.710 2.542 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.544 19.477 2.531 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.069 19.693 2.763 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.589 20.587 2.655 1.00 0.00 H new ATOM 434 N ILE A 29 -13.666 15.654 10.803 1.00 0.00 N ATOM 435 CA ILE A 29 -13.396 14.392 10.069 1.00 0.00 C ATOM 436 C ILE A 29 -13.261 13.228 11.040 1.00 0.00 C ATOM 437 O ILE A 29 -12.671 13.336 12.097 1.00 0.00 O ATOM 438 CB ILE A 29 -12.101 14.534 9.265 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.371 15.412 8.042 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.621 13.155 8.814 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.062 16.012 7.511 1.00 0.00 C ATOM 0 HA ILE A 29 -14.230 14.195 9.396 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.330 14.992 9.885 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.850 14.821 7.261 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.063 16.211 8.307 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.699 13.260 8.242 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.437 12.530 9.688 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.384 12.690 8.190 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.273 16.634 6.641 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.599 16.620 8.288 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.383 15.209 7.226 1.00 0.00 H new ATOM 453 N GLU A 30 -13.803 12.108 10.664 1.00 0.00 N ATOM 454 CA GLU A 30 -13.722 10.898 11.523 1.00 0.00 C ATOM 455 C GLU A 30 -13.067 9.773 10.717 1.00 0.00 C ATOM 456 O GLU A 30 -13.163 9.738 9.508 1.00 0.00 O ATOM 457 CB GLU A 30 -15.132 10.478 11.942 1.00 0.00 C ATOM 458 CG GLU A 30 -15.809 11.629 12.694 1.00 0.00 C ATOM 459 CD GLU A 30 -17.183 11.173 13.183 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.789 11.902 13.953 1.00 0.00 O ATOM 461 OE2 GLU A 30 -17.603 10.101 12.785 1.00 0.00 O ATOM 0 H GLU A 30 -14.306 11.977 9.786 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.133 11.108 12.416 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.719 10.209 11.063 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.085 9.593 12.577 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.194 11.938 13.539 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.912 12.495 12.040 1.00 0.00 H new ATOM 469 N PHE A 31 -12.395 8.864 11.370 1.00 0.00 N ATOM 470 CA PHE A 31 -11.726 7.753 10.632 1.00 0.00 C ATOM 471 C PHE A 31 -12.361 6.413 11.022 1.00 0.00 C ATOM 472 O PHE A 31 -12.873 6.251 12.111 1.00 0.00 O ATOM 473 CB PHE A 31 -10.231 7.725 10.997 1.00 0.00 C ATOM 474 CG PHE A 31 -9.559 9.028 10.601 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.030 9.194 9.307 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.444 10.063 11.537 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.401 10.397 8.957 1.00 0.00 C ATOM 478 CE2 PHE A 31 -8.816 11.267 11.185 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.294 11.431 9.896 1.00 0.00 C ATOM 0 H PHE A 31 -12.280 8.842 12.383 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.844 7.913 9.560 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.116 7.561 12.068 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.744 6.890 10.493 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.109 8.395 8.584 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.840 9.934 12.533 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.999 10.527 7.963 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.735 12.066 11.907 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.808 12.357 9.625 1.00 0.00 H new ATOM 489 N LEU A 32 -12.310 5.442 10.141 1.00 0.00 N ATOM 490 CA LEU A 32 -12.886 4.103 10.467 1.00 0.00 C ATOM 491 C LEU A 32 -11.851 3.310 11.266 1.00 0.00 C ATOM 492 O LEU A 32 -10.709 3.181 10.865 1.00 0.00 O ATOM 493 CB LEU A 32 -13.224 3.339 9.178 1.00 0.00 C ATOM 494 CG LEU A 32 -13.618 1.901 9.520 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.843 1.901 10.428 1.00 0.00 C ATOM 496 CD2 LEU A 32 -13.942 1.151 8.234 1.00 0.00 C ATOM 0 H LEU A 32 -11.895 5.521 9.213 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.800 4.233 11.047 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.040 3.835 8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.365 3.341 8.507 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.791 1.413 10.035 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.118 0.874 10.668 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.614 2.439 11.348 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.674 2.390 9.919 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.223 0.125 8.472 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.769 1.645 7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.066 1.146 7.585 1.00 0.00 H new ATOM 508 N LEU A 33 -12.240 2.781 12.389 1.00 0.00 N ATOM 509 CA LEU A 33 -11.284 1.998 13.221 1.00 0.00 C ATOM 510 C LEU A 33 -11.902 0.658 13.593 1.00 0.00 C ATOM 511 O LEU A 33 -13.034 0.581 14.020 1.00 0.00 O ATOM 512 CB LEU A 33 -10.961 2.772 14.499 1.00 0.00 C ATOM 513 CG LEU A 33 -9.807 3.734 14.223 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.726 4.777 15.340 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.492 2.953 14.166 1.00 0.00 C ATOM 0 H LEU A 33 -13.183 2.857 12.770 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.370 1.833 12.651 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.838 3.324 14.836 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.692 2.082 15.299 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.978 4.234 13.270 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.902 5.461 15.140 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.660 5.337 15.383 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.558 4.277 16.294 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.669 3.640 13.969 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.325 2.451 15.119 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.544 2.211 13.369 1.00 0.00 H new ATOM 527 N LEU A 34 -11.163 -0.400 13.433 1.00 0.00 N ATOM 528 CA LEU A 34 -11.693 -1.746 13.776 1.00 0.00 C ATOM 529 C LEU A 34 -11.071 -2.220 15.099 1.00 0.00 C ATOM 530 O LEU A 34 -9.925 -1.938 15.393 1.00 0.00 O ATOM 531 CB LEU A 34 -11.339 -2.704 12.644 1.00 0.00 C ATOM 532 CG LEU A 34 -11.847 -2.111 11.326 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.516 -3.048 10.166 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.364 -1.941 11.405 1.00 0.00 C ATOM 0 H LEU A 34 -10.207 -0.391 13.077 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.776 -1.712 13.898 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.261 -2.856 12.600 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.791 -3.680 12.819 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.366 -1.147 11.161 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.882 -2.617 9.234 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.436 -3.183 10.104 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.994 -4.014 10.331 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.732 -1.519 10.470 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.831 -2.912 11.574 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.613 -1.271 12.228 1.00 0.00 H new ATOM 546 N GLN A 35 -11.828 -2.928 15.903 1.00 0.00 N ATOM 547 CA GLN A 35 -11.302 -3.410 17.218 1.00 0.00 C ATOM 548 C GLN A 35 -10.892 -4.878 17.119 1.00 0.00 C ATOM 549 O GLN A 35 -11.655 -5.724 16.699 1.00 0.00 O ATOM 550 CB GLN A 35 -12.386 -3.272 18.291 1.00 0.00 C ATOM 551 CG GLN A 35 -11.824 -3.691 19.651 1.00 0.00 C ATOM 552 CD GLN A 35 -12.919 -3.558 20.712 1.00 0.00 C ATOM 553 OE1 GLN A 35 -13.991 -3.061 20.431 1.00 0.00 O ATOM 554 NE2 GLN A 35 -12.698 -3.986 21.927 1.00 0.00 N ATOM 0 H GLN A 35 -12.792 -3.194 15.703 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.434 -2.808 17.485 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.739 -2.242 18.335 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.245 -3.892 18.035 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.466 -4.720 19.608 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.970 -3.066 19.913 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.798 -4.404 22.165 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.425 -3.902 22.637 1.00 0.00 H new ATOM 641 N HIS A 42 -6.222 -3.234 20.585 1.00 0.00 N ATOM 642 CA HIS A 42 -5.752 -1.990 19.928 1.00 0.00 C ATOM 643 C HIS A 42 -6.626 -1.708 18.710 1.00 0.00 C ATOM 644 O HIS A 42 -7.205 -2.602 18.129 1.00 0.00 O ATOM 645 CB HIS A 42 -4.302 -2.156 19.480 1.00 0.00 C ATOM 646 CG HIS A 42 -4.178 -3.375 18.604 1.00 0.00 C ATOM 647 ND1 HIS A 42 -4.327 -4.664 19.103 1.00 0.00 N ATOM 648 CD2 HIS A 42 -3.925 -3.525 17.259 1.00 0.00 C ATOM 649 CE1 HIS A 42 -4.168 -5.521 18.076 1.00 0.00 C ATOM 650 NE2 HIS A 42 -3.924 -4.878 16.934 1.00 0.00 N ATOM 0 HA HIS A 42 -5.817 -1.161 20.633 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.976 -1.270 18.935 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.651 -2.253 20.349 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -4.522 -4.915 20.072 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.754 -2.717 16.563 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.230 -6.595 18.167 1.00 0.00 H new ATOM 659 N TRP A 43 -6.739 -0.472 18.325 1.00 0.00 N ATOM 660 CA TRP A 43 -7.585 -0.144 17.151 1.00 0.00 C ATOM 661 C TRP A 43 -6.706 0.189 15.949 1.00 0.00 C ATOM 662 O TRP A 43 -5.706 0.874 16.061 1.00 0.00 O ATOM 663 CB TRP A 43 -8.453 1.063 17.485 1.00 0.00 C ATOM 664 CG TRP A 43 -9.311 0.759 18.671 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.865 0.679 19.946 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.742 0.504 18.723 1.00 0.00 C ATOM 667 NE1 TRP A 43 -9.932 0.396 20.778 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.111 0.278 20.073 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.747 0.451 17.747 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.430 0.006 20.435 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -13.075 0.177 18.108 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.417 -0.042 19.452 1.00 0.00 C ATOM 0 H TRP A 43 -6.283 0.324 18.771 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.212 -1.002 16.909 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.824 1.928 17.693 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.078 1.321 16.630 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.841 0.814 20.262 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.856 0.288 21.789 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.497 0.622 16.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.685 -0.166 21.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.840 0.134 17.346 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.442 -0.247 19.723 1.00 0.00 H new ATOM 683 N THR A 44 -7.074 -0.287 14.797 1.00 0.00 N ATOM 684 CA THR A 44 -6.269 -0.001 13.582 1.00 0.00 C ATOM 685 C THR A 44 -7.170 -0.118 12.347 1.00 0.00 C ATOM 686 O THR A 44 -8.171 -0.802 12.367 1.00 0.00 O ATOM 687 CB THR A 44 -5.132 -1.016 13.490 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.486 -2.179 14.229 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.848 -0.405 14.065 1.00 0.00 C ATOM 0 H THR A 44 -7.901 -0.864 14.643 1.00 0.00 H new ATOM 0 HA THR A 44 -5.854 1.006 13.633 1.00 0.00 H new ATOM 0 HB THR A 44 -4.961 -1.284 12.447 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.761 -2.836 14.173 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.038 -1.131 13.998 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.583 0.487 13.497 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.009 -0.136 15.109 1.00 0.00 H new ATOM 697 N PRO A 45 -6.810 0.539 11.278 1.00 0.00 N ATOM 698 CA PRO A 45 -7.597 0.491 10.014 1.00 0.00 C ATOM 699 C PRO A 45 -7.493 -0.880 9.336 1.00 0.00 C ATOM 700 O PRO A 45 -6.606 -1.651 9.629 1.00 0.00 O ATOM 701 CB PRO A 45 -6.957 1.575 9.142 1.00 0.00 C ATOM 702 CG PRO A 45 -5.572 1.754 9.674 1.00 0.00 C ATOM 703 CD PRO A 45 -5.621 1.397 11.159 1.00 0.00 C ATOM 0 HA PRO A 45 -8.661 0.653 10.185 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.939 1.275 8.094 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.521 2.506 9.197 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.868 1.111 9.145 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.234 2.781 9.534 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.718 0.874 11.474 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.707 2.288 11.781 1.00 0.00 H new ATOM 711 N PRO A 46 -8.392 -1.188 8.435 1.00 0.00 N ATOM 712 CA PRO A 46 -8.388 -2.495 7.716 1.00 0.00 C ATOM 713 C PRO A 46 -6.999 -2.850 7.167 1.00 0.00 C ATOM 714 O PRO A 46 -6.568 -2.318 6.168 1.00 0.00 O ATOM 715 CB PRO A 46 -9.371 -2.275 6.561 1.00 0.00 C ATOM 716 CG PRO A 46 -10.300 -1.205 7.025 1.00 0.00 C ATOM 717 CD PRO A 46 -9.507 -0.329 8.000 1.00 0.00 C ATOM 0 HA PRO A 46 -8.661 -3.320 8.374 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.848 -1.974 5.653 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.913 -3.191 6.328 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.664 -0.616 6.183 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.174 -1.636 7.514 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.145 0.578 7.516 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.121 -0.016 8.844 1.00 0.00 H new ATOM 725 N LYS A 47 -6.295 -3.749 7.808 1.00 0.00 N ATOM 726 CA LYS A 47 -4.942 -4.126 7.303 1.00 0.00 C ATOM 727 C LYS A 47 -5.020 -5.478 6.596 1.00 0.00 C ATOM 728 O LYS A 47 -5.705 -6.380 7.032 1.00 0.00 O ATOM 729 CB LYS A 47 -3.953 -4.233 8.468 1.00 0.00 C ATOM 730 CG LYS A 47 -3.882 -2.901 9.209 1.00 0.00 C ATOM 731 CD LYS A 47 -2.738 -2.939 10.227 1.00 0.00 C ATOM 732 CE LYS A 47 -3.001 -4.040 11.258 1.00 0.00 C ATOM 733 NZ LYS A 47 -4.467 -4.161 11.504 1.00 0.00 N ATOM 0 H LYS A 47 -6.597 -4.234 8.653 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.601 -3.359 6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.265 -5.023 9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.966 -4.505 8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.725 -2.087 8.501 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.827 -2.705 9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.792 -3.122 9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.650 -1.974 10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.603 -4.989 10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.484 -3.810 12.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.628 -4.670 12.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.888 -3.212 11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.908 -4.685 10.722 1.00 0.00 H new ATOM 747 N GLY A 48 -4.308 -5.625 5.516 1.00 0.00 N ATOM 748 CA GLY A 48 -4.315 -6.919 4.779 1.00 0.00 C ATOM 749 C GLY A 48 -2.945 -7.113 4.119 1.00 0.00 C ATOM 750 O GLY A 48 -2.092 -6.254 4.185 1.00 0.00 O ATOM 0 H GLY A 48 -3.717 -4.900 5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.526 -7.742 5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.102 -6.921 4.025 1.00 0.00 H new ATOM 754 N HIS A 49 -2.727 -8.229 3.487 1.00 0.00 N ATOM 755 CA HIS A 49 -1.409 -8.467 2.832 1.00 0.00 C ATOM 756 C HIS A 49 -1.584 -8.396 1.311 1.00 0.00 C ATOM 757 O HIS A 49 -2.561 -8.866 0.767 1.00 0.00 O ATOM 758 CB HIS A 49 -0.900 -9.847 3.240 1.00 0.00 C ATOM 759 CG HIS A 49 -0.684 -9.875 4.733 1.00 0.00 C ATOM 760 ND1 HIS A 49 -1.695 -10.222 5.621 1.00 0.00 N ATOM 761 CD2 HIS A 49 0.419 -9.612 5.504 1.00 0.00 C ATOM 762 CE1 HIS A 49 -1.178 -10.164 6.864 1.00 0.00 C ATOM 763 NE2 HIS A 49 0.102 -9.797 6.845 1.00 0.00 N ATOM 0 H HIS A 49 -3.402 -8.988 3.394 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.688 -7.710 3.142 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.619 -10.613 2.950 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.032 -10.072 2.721 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -2.653 -10.474 5.377 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.385 -9.308 5.128 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.733 -10.387 7.763 1.00 0.00 H new ATOM 772 N VAL A 50 -0.654 -7.793 0.618 1.00 0.00 N ATOM 773 CA VAL A 50 -0.791 -7.679 -0.862 1.00 0.00 C ATOM 774 C VAL A 50 -0.109 -8.855 -1.546 1.00 0.00 C ATOM 775 O VAL A 50 0.977 -9.263 -1.185 1.00 0.00 O ATOM 776 CB VAL A 50 -0.149 -6.375 -1.342 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.710 -5.791 -0.221 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.719 -6.656 -2.574 1.00 0.00 C ATOM 0 H VAL A 50 0.190 -7.377 1.011 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.851 -7.682 -1.116 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.926 -5.659 -1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.169 -4.862 -0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.085 -5.591 0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.490 -6.503 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.176 -5.728 -2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.500 -7.371 -2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.099 -7.070 -3.369 1.00 0.00 H new ATOM 788 N GLU A 51 -0.742 -9.386 -2.548 1.00 0.00 N ATOM 789 CA GLU A 51 -0.153 -10.526 -3.292 1.00 0.00 C ATOM 790 C GLU A 51 1.004 -10.003 -4.157 1.00 0.00 C ATOM 791 O GLU A 51 1.386 -8.855 -4.057 1.00 0.00 O ATOM 792 CB GLU A 51 -1.253 -11.142 -4.170 1.00 0.00 C ATOM 793 CG GLU A 51 -1.462 -12.621 -3.813 1.00 0.00 C ATOM 794 CD GLU A 51 -2.014 -13.382 -5.025 1.00 0.00 C ATOM 795 OE1 GLU A 51 -2.377 -12.737 -5.995 1.00 0.00 O ATOM 796 OE2 GLU A 51 -2.063 -14.600 -4.960 1.00 0.00 O ATOM 0 H GLU A 51 -1.652 -9.075 -2.887 1.00 0.00 H new ATOM 0 HA GLU A 51 0.233 -11.286 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.185 -10.594 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.981 -11.051 -5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.518 -13.063 -3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.153 -12.707 -2.974 1.00 0.00 H new ATOM 804 N PRO A 52 1.567 -10.838 -4.990 1.00 0.00 N ATOM 805 CA PRO A 52 2.702 -10.442 -5.877 1.00 0.00 C ATOM 806 C PRO A 52 2.241 -9.589 -7.060 1.00 0.00 C ATOM 807 O PRO A 52 2.467 -8.395 -7.102 1.00 0.00 O ATOM 808 CB PRO A 52 3.252 -11.778 -6.370 1.00 0.00 C ATOM 809 CG PRO A 52 2.108 -12.732 -6.302 1.00 0.00 C ATOM 810 CD PRO A 52 1.193 -12.247 -5.182 1.00 0.00 C ATOM 0 HA PRO A 52 3.436 -9.832 -5.351 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.632 -11.694 -7.388 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.081 -12.115 -5.747 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.574 -12.762 -7.251 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.460 -13.744 -6.102 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.143 -12.346 -5.456 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.340 -12.825 -4.270 1.00 0.00 H new ATOM 818 N GLY A 53 1.589 -10.185 -8.022 1.00 0.00 N ATOM 819 CA GLY A 53 1.108 -9.399 -9.190 1.00 0.00 C ATOM 820 C GLY A 53 -0.094 -8.564 -8.757 1.00 0.00 C ATOM 821 O GLY A 53 -0.795 -7.993 -9.570 1.00 0.00 O ATOM 0 H GLY A 53 1.370 -11.181 -8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.902 -8.753 -9.563 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.830 -10.066 -10.006 1.00 0.00 H new ATOM 825 N GLU A 54 -0.339 -8.496 -7.478 1.00 0.00 N ATOM 826 CA GLU A 54 -1.500 -7.707 -6.979 1.00 0.00 C ATOM 827 C GLU A 54 -1.108 -6.244 -6.824 1.00 0.00 C ATOM 828 O GLU A 54 0.025 -5.920 -6.533 1.00 0.00 O ATOM 829 CB GLU A 54 -1.927 -8.235 -5.618 1.00 0.00 C ATOM 830 CG GLU A 54 -3.234 -7.571 -5.216 1.00 0.00 C ATOM 831 CD GLU A 54 -3.613 -8.013 -3.806 1.00 0.00 C ATOM 832 OE1 GLU A 54 -4.667 -7.613 -3.346 1.00 0.00 O ATOM 833 OE2 GLU A 54 -2.845 -8.743 -3.206 1.00 0.00 O ATOM 0 H GLU A 54 0.216 -8.954 -6.755 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.317 -7.798 -7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.051 -9.317 -5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.156 -8.029 -4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.131 -6.487 -5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.023 -7.841 -5.918 1.00 0.00 H new ATOM 841 N ASP A 55 -2.042 -5.359 -7.006 1.00 0.00 N ATOM 842 CA ASP A 55 -1.713 -3.922 -6.854 1.00 0.00 C ATOM 843 C ASP A 55 -1.531 -3.591 -5.388 1.00 0.00 C ATOM 844 O ASP A 55 -1.956 -4.314 -4.507 1.00 0.00 O ATOM 845 CB ASP A 55 -2.834 -3.047 -7.383 1.00 0.00 C ATOM 846 CG ASP A 55 -2.360 -1.594 -7.427 1.00 0.00 C ATOM 847 OD1 ASP A 55 -1.812 -1.201 -8.443 1.00 0.00 O ATOM 848 OD2 ASP A 55 -2.550 -0.900 -6.441 1.00 0.00 O ATOM 0 H ASP A 55 -3.010 -5.566 -7.251 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.799 -3.732 -7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.129 -3.376 -8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.713 -3.136 -6.745 1.00 0.00 H new ATOM 854 N ASP A 56 -0.913 -2.489 -5.128 1.00 0.00 N ATOM 855 CA ASP A 56 -0.702 -2.063 -3.725 1.00 0.00 C ATOM 856 C ASP A 56 -2.006 -1.485 -3.168 1.00 0.00 C ATOM 857 O ASP A 56 -2.459 -1.856 -2.103 1.00 0.00 O ATOM 858 CB ASP A 56 0.390 -0.997 -3.682 1.00 0.00 C ATOM 859 CG ASP A 56 1.672 -1.563 -4.290 1.00 0.00 C ATOM 860 OD1 ASP A 56 2.440 -0.784 -4.830 1.00 0.00 O ATOM 861 OD2 ASP A 56 1.865 -2.764 -4.207 1.00 0.00 O ATOM 0 H ASP A 56 -0.539 -1.854 -5.833 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.399 -2.919 -3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.072 -0.112 -4.233 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.569 -0.684 -2.653 1.00 0.00 H new ATOM 867 N LEU A 57 -2.613 -0.571 -3.883 1.00 0.00 N ATOM 868 CA LEU A 57 -3.884 0.034 -3.394 1.00 0.00 C ATOM 869 C LEU A 57 -5.005 -1.006 -3.417 1.00 0.00 C ATOM 870 O LEU A 57 -5.775 -1.116 -2.488 1.00 0.00 O ATOM 871 CB LEU A 57 -4.279 1.217 -4.280 1.00 0.00 C ATOM 872 CG LEU A 57 -5.608 1.798 -3.784 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.491 2.160 -2.300 1.00 0.00 C ATOM 874 CD2 LEU A 57 -5.950 3.055 -4.586 1.00 0.00 C ATOM 0 H LEU A 57 -2.282 -0.220 -4.782 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.731 0.381 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.502 1.981 -4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.374 0.894 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.395 1.056 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.437 2.573 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.251 1.266 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.701 2.900 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.895 3.467 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.161 3.795 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.038 2.800 -5.642 1.00 0.00 H new ATOM 886 N GLU A 58 -5.103 -1.772 -4.472 1.00 0.00 N ATOM 887 CA GLU A 58 -6.179 -2.797 -4.543 1.00 0.00 C ATOM 888 C GLU A 58 -6.103 -3.685 -3.302 1.00 0.00 C ATOM 889 O GLU A 58 -7.110 -4.041 -2.725 1.00 0.00 O ATOM 890 CB GLU A 58 -5.980 -3.658 -5.790 1.00 0.00 C ATOM 891 CG GLU A 58 -6.402 -2.873 -7.039 1.00 0.00 C ATOM 892 CD GLU A 58 -5.901 -1.429 -6.949 1.00 0.00 C ATOM 893 OE1 GLU A 58 -4.743 -1.241 -6.615 1.00 0.00 O ATOM 894 OE2 GLU A 58 -6.685 -0.532 -7.222 1.00 0.00 O ATOM 0 H GLU A 58 -4.486 -1.731 -5.283 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.151 -2.307 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.935 -3.957 -5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.568 -4.573 -5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.998 -3.351 -7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.488 -2.884 -7.135 1.00 0.00 H new ATOM 902 N THR A 59 -4.919 -4.035 -2.866 1.00 0.00 N ATOM 903 CA THR A 59 -4.829 -4.883 -1.648 1.00 0.00 C ATOM 904 C THR A 59 -5.514 -4.137 -0.508 1.00 0.00 C ATOM 905 O THR A 59 -6.269 -4.708 0.253 1.00 0.00 O ATOM 906 CB THR A 59 -3.368 -5.175 -1.294 1.00 0.00 C ATOM 907 OG1 THR A 59 -2.788 -5.944 -2.340 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.308 -5.960 0.020 1.00 0.00 C ATOM 0 H THR A 59 -4.030 -3.775 -3.293 1.00 0.00 H new ATOM 0 HA THR A 59 -5.319 -5.841 -1.824 1.00 0.00 H new ATOM 0 HB THR A 59 -2.819 -4.241 -1.176 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.500 -5.348 -3.063 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.268 -6.168 0.272 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.764 -5.372 0.816 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.849 -6.900 -0.092 1.00 0.00 H new ATOM 916 N ALA A 60 -5.281 -2.854 -0.400 1.00 0.00 N ATOM 917 CA ALA A 60 -5.953 -2.074 0.676 1.00 0.00 C ATOM 918 C ALA A 60 -7.453 -2.070 0.394 1.00 0.00 C ATOM 919 O ALA A 60 -8.267 -2.176 1.289 1.00 0.00 O ATOM 920 CB ALA A 60 -5.442 -0.631 0.678 1.00 0.00 C ATOM 0 H ALA A 60 -4.659 -2.319 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.741 -2.525 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.940 -0.070 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.366 -0.626 0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.656 -0.168 -0.285 1.00 0.00 H new ATOM 926 N LEU A 61 -7.813 -1.952 -0.855 1.00 0.00 N ATOM 927 CA LEU A 61 -9.254 -1.945 -1.229 1.00 0.00 C ATOM 928 C LEU A 61 -9.880 -3.284 -0.856 1.00 0.00 C ATOM 929 O LEU A 61 -10.876 -3.354 -0.162 1.00 0.00 O ATOM 930 CB LEU A 61 -9.349 -1.786 -2.738 1.00 0.00 C ATOM 931 CG LEU A 61 -8.758 -0.451 -3.162 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.834 -0.360 -4.681 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.558 0.694 -2.535 1.00 0.00 C ATOM 0 H LEU A 61 -7.165 -1.860 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.769 -1.135 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.818 -2.600 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.391 -1.848 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.723 -0.375 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.415 0.591 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.267 -1.179 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.875 -0.427 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.130 1.648 -2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.595 0.638 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.520 0.612 -1.449 1.00 0.00 H new ATOM 945 N ARG A 62 -9.287 -4.350 -1.313 1.00 0.00 N ATOM 946 CA ARG A 62 -9.821 -5.697 -0.994 1.00 0.00 C ATOM 947 C ARG A 62 -9.875 -5.880 0.526 1.00 0.00 C ATOM 948 O ARG A 62 -10.826 -6.406 1.057 1.00 0.00 O ATOM 949 CB ARG A 62 -8.902 -6.753 -1.604 1.00 0.00 C ATOM 950 CG ARG A 62 -9.478 -8.142 -1.347 1.00 0.00 C ATOM 951 CD ARG A 62 -8.504 -9.197 -1.874 1.00 0.00 C ATOM 952 NE ARG A 62 -9.113 -10.545 -1.739 1.00 0.00 N ATOM 953 CZ ARG A 62 -8.381 -11.606 -1.922 1.00 0.00 C ATOM 954 NH1 ARG A 62 -7.121 -11.484 -2.240 1.00 0.00 N ATOM 955 NH2 ARG A 62 -8.914 -12.789 -1.795 1.00 0.00 N ATOM 0 H ARG A 62 -8.451 -4.344 -1.897 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.826 -5.802 -1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.798 -6.584 -2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.905 -6.676 -1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.647 -8.287 -0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.445 -8.244 -1.840 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.265 -8.997 -2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.567 -9.152 -1.319 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.101 -10.639 -1.504 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.709 -10.557 -2.345 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.548 -12.316 -2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.901 -12.881 -1.553 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.344 -13.623 -1.937 1.00 0.00 H new ATOM 969 N ALA A 63 -8.863 -5.448 1.233 1.00 0.00 N ATOM 970 CA ALA A 63 -8.878 -5.611 2.719 1.00 0.00 C ATOM 971 C ALA A 63 -9.902 -4.664 3.338 1.00 0.00 C ATOM 972 O ALA A 63 -10.543 -4.983 4.318 1.00 0.00 O ATOM 973 CB ALA A 63 -7.498 -5.301 3.302 1.00 0.00 C ATOM 0 H ALA A 63 -8.034 -4.993 0.851 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.145 -6.643 2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.524 -5.424 4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.762 -5.983 2.877 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.223 -4.274 3.060 1.00 0.00 H new ATOM 979 N THR A 64 -10.050 -3.496 2.788 1.00 0.00 N ATOM 980 CA THR A 64 -11.023 -2.527 3.362 1.00 0.00 C ATOM 981 C THR A 64 -12.422 -3.151 3.398 1.00 0.00 C ATOM 982 O THR A 64 -13.122 -3.078 4.388 1.00 0.00 O ATOM 983 CB THR A 64 -11.050 -1.273 2.484 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.730 -0.785 2.320 1.00 0.00 O ATOM 985 CG2 THR A 64 -11.906 -0.195 3.143 1.00 0.00 C ATOM 0 H THR A 64 -9.541 -3.168 1.967 1.00 0.00 H new ATOM 0 HA THR A 64 -10.723 -2.267 4.377 1.00 0.00 H new ATOM 0 HB THR A 64 -11.474 -1.526 1.512 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.301 -1.248 1.571 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.920 0.694 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.923 -0.566 3.271 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.487 0.058 4.117 1.00 0.00 H new ATOM 993 N GLN A 65 -12.843 -3.755 2.320 1.00 0.00 N ATOM 994 CA GLN A 65 -14.203 -4.367 2.294 1.00 0.00 C ATOM 995 C GLN A 65 -14.197 -5.724 3.010 1.00 0.00 C ATOM 996 O GLN A 65 -15.148 -6.089 3.669 1.00 0.00 O ATOM 997 CB GLN A 65 -14.656 -4.520 0.835 1.00 0.00 C ATOM 998 CG GLN A 65 -15.271 -5.903 0.604 1.00 0.00 C ATOM 999 CD GLN A 65 -16.591 -6.016 1.367 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -17.447 -5.162 1.250 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -16.796 -7.043 2.145 1.00 0.00 N ATOM 0 H GLN A 65 -12.306 -3.851 1.458 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.904 -3.719 2.820 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.385 -3.747 0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.806 -4.378 0.168 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -15.441 -6.062 -0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.581 -6.678 0.936 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -16.077 -7.760 2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -17.675 -7.129 2.655 1.00 0.00 H new ATOM 1010 N GLU A 66 -13.142 -6.477 2.878 1.00 0.00 N ATOM 1011 CA GLU A 66 -13.091 -7.808 3.546 1.00 0.00 C ATOM 1012 C GLU A 66 -13.081 -7.646 5.073 1.00 0.00 C ATOM 1013 O GLU A 66 -13.707 -8.404 5.789 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.814 -8.527 3.107 1.00 0.00 C ATOM 1015 CG GLU A 66 -11.935 -8.945 1.638 1.00 0.00 C ATOM 1016 CD GLU A 66 -13.059 -9.969 1.487 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -13.493 -10.499 2.495 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -13.467 -10.209 0.363 1.00 0.00 O ATOM 0 H GLU A 66 -12.313 -6.230 2.337 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.972 -8.385 3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.953 -7.872 3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.646 -9.404 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.138 -8.073 1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.993 -9.370 1.292 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.367 -6.678 5.580 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.311 -6.493 7.062 1.00 0.00 C ATOM 1028 C GLU A 67 -13.232 -5.350 7.499 1.00 0.00 C ATOM 1029 O GLU A 67 -13.305 -5.018 8.667 1.00 0.00 O ATOM 1030 CB GLU A 67 -10.871 -6.174 7.477 1.00 0.00 C ATOM 1031 CG GLU A 67 -9.951 -7.343 7.108 1.00 0.00 C ATOM 1032 CD GLU A 67 -10.360 -8.591 7.895 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -11.096 -8.446 8.856 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -9.925 -9.669 7.527 1.00 0.00 O ATOM 0 H GLU A 67 -11.822 -6.009 5.037 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.644 -7.412 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.534 -5.264 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.825 -5.988 8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.010 -7.541 6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.915 -7.086 7.328 1.00 0.00 H new ATOM 1042 N ALA A 68 -13.935 -4.737 6.587 1.00 0.00 N ATOM 1043 CA ALA A 68 -14.834 -3.618 6.988 1.00 0.00 C ATOM 1044 C ALA A 68 -16.120 -3.662 6.175 1.00 0.00 C ATOM 1045 O ALA A 68 -17.143 -3.169 6.594 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.132 -2.284 6.731 1.00 0.00 C ATOM 0 H ALA A 68 -13.927 -4.959 5.592 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.071 -3.719 8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.789 -1.465 7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.213 -2.238 7.315 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.894 -2.197 5.671 1.00 0.00 H new ATOM 1052 N GLY A 69 -16.078 -4.230 5.012 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.304 -4.281 4.176 1.00 0.00 C ATOM 1054 C GLY A 69 -17.326 -3.064 3.250 1.00 0.00 C ATOM 1055 O GLY A 69 -18.187 -2.933 2.401 1.00 0.00 O ATOM 0 H GLY A 69 -15.250 -4.662 4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.322 -5.200 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.191 -4.289 4.809 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.381 -2.172 3.405 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.348 -0.963 2.530 1.00 0.00 C ATOM 1061 C ILE A 70 -15.246 -1.136 1.477 1.00 0.00 C ATOM 1062 O ILE A 70 -14.109 -1.427 1.795 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.061 0.293 3.372 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.897 0.276 4.658 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.455 1.525 2.560 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.262 1.186 5.720 1.00 0.00 C ATOM 0 H ILE A 70 -15.634 -2.229 4.097 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.315 -0.846 2.041 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.002 0.315 3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.912 0.610 4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.970 -0.743 5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.257 2.424 3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -15.873 1.555 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.516 1.476 2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.866 1.164 6.627 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.255 0.834 5.946 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.213 2.207 5.342 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.579 -0.952 0.227 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.568 -1.095 -0.862 1.00 0.00 C ATOM 1080 C GLU A 71 -14.425 0.242 -1.583 1.00 0.00 C ATOM 1081 O GLU A 71 -15.174 1.169 -1.349 1.00 0.00 O ATOM 1082 CB GLU A 71 -15.005 -2.199 -1.840 1.00 0.00 C ATOM 1083 CG GLU A 71 -14.429 -1.957 -3.242 1.00 0.00 C ATOM 1084 CD GLU A 71 -14.902 -3.072 -4.178 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -15.655 -3.920 -3.727 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -14.503 -3.059 -5.331 1.00 0.00 O ATOM 0 H GLU A 71 -16.517 -0.706 -0.089 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.603 -1.378 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.673 -3.169 -1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.093 -2.233 -1.892 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.753 -0.987 -3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.340 -1.936 -3.202 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.461 0.353 -2.451 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.261 1.638 -3.179 1.00 0.00 C ATOM 1096 C ALA A 72 -14.571 2.070 -3.814 1.00 0.00 C ATOM 1097 O ALA A 72 -14.885 3.243 -3.874 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.189 1.466 -4.247 1.00 0.00 C ATOM 0 H ALA A 72 -12.803 -0.389 -2.689 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.935 2.406 -2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.047 2.409 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.251 1.169 -3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.500 0.697 -4.954 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.354 1.141 -4.258 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.661 1.511 -4.846 1.00 0.00 C ATOM 1106 C GLY A 73 -17.520 2.108 -3.734 1.00 0.00 C ATOM 1107 O GLY A 73 -18.544 2.712 -3.976 1.00 0.00 O ATOM 0 H GLY A 73 -15.148 0.142 -4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.527 2.231 -5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.148 0.636 -5.277 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.107 1.928 -2.503 1.00 0.00 N ATOM 1112 CA GLN A 74 -17.894 2.467 -1.365 1.00 0.00 C ATOM 1113 C GLN A 74 -17.156 3.641 -0.714 1.00 0.00 C ATOM 1114 O GLN A 74 -17.727 4.365 0.077 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.127 1.360 -0.338 1.00 0.00 C ATOM 1116 CG GLN A 74 -18.949 0.247 -0.983 1.00 0.00 C ATOM 1117 CD GLN A 74 -19.236 -0.843 0.052 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -18.430 -1.728 0.252 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -20.360 -0.822 0.719 1.00 0.00 N ATOM 0 H GLN A 74 -16.256 1.429 -2.243 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.854 2.826 -1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.173 0.967 0.015 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.649 1.758 0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -19.885 0.650 -1.371 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.408 -0.175 -1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -21.038 -0.079 0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -20.559 -1.549 1.407 1.00 0.00 H new ATOM 1128 N LEU A 75 -15.907 3.860 -1.049 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.191 5.029 -0.448 1.00 0.00 C ATOM 1130 C LEU A 75 -14.538 5.849 -1.553 1.00 0.00 C ATOM 1131 O LEU A 75 -14.741 5.619 -2.730 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.093 4.623 0.565 1.00 0.00 C ATOM 1133 CG LEU A 75 -13.913 3.104 0.634 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.660 2.716 -0.140 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.729 2.662 2.083 1.00 0.00 C ATOM 0 H LEU A 75 -15.362 3.293 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.943 5.605 0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.149 5.088 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.352 5.003 1.553 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.796 2.625 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.525 1.635 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.764 3.026 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.793 3.208 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.602 1.580 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.846 3.146 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.607 2.944 2.664 1.00 0.00 H new ATOM 1147 N THR A 76 -13.750 6.803 -1.170 1.00 0.00 N ATOM 1148 CA THR A 76 -13.059 7.656 -2.165 1.00 0.00 C ATOM 1149 C THR A 76 -11.597 7.763 -1.763 1.00 0.00 C ATOM 1150 O THR A 76 -11.256 8.410 -0.795 1.00 0.00 O ATOM 1151 CB THR A 76 -13.698 9.041 -2.166 1.00 0.00 C ATOM 1152 OG1 THR A 76 -15.005 8.951 -2.707 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.864 10.006 -3.005 1.00 0.00 C ATOM 0 H THR A 76 -13.552 7.032 -0.196 1.00 0.00 H new ATOM 0 HA THR A 76 -13.141 7.226 -3.163 1.00 0.00 H new ATOM 0 HB THR A 76 -13.745 9.414 -1.143 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.420 9.839 -2.708 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.331 10.991 -2.998 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.860 10.077 -2.587 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.805 9.640 -4.030 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.728 7.128 -2.490 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.292 7.194 -2.125 1.00 0.00 C ATOM 1163 C ILE A 77 -8.741 8.557 -2.527 1.00 0.00 C ATOM 1164 O ILE A 77 -8.931 9.005 -3.641 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.533 6.090 -2.861 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.364 4.796 -2.836 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.183 5.852 -2.166 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.385 4.219 -1.420 1.00 0.00 C ATOM 0 H ILE A 77 -10.947 6.570 -3.315 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.173 7.056 -1.050 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.361 6.388 -3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.381 5.000 -3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.941 4.068 -3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.639 5.065 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.598 6.771 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.354 5.551 -1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.975 3.303 -1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.366 3.998 -1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.829 4.944 -0.738 1.00 0.00 H new ATOM 1180 N ILE A 78 -8.065 9.225 -1.637 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.516 10.557 -1.995 1.00 0.00 C ATOM 1182 C ILE A 78 -6.136 10.387 -2.619 1.00 0.00 C ATOM 1183 O ILE A 78 -5.352 9.546 -2.223 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.433 11.452 -0.761 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.475 12.567 -0.890 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -6.034 12.076 -0.655 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.880 11.957 -0.947 1.00 0.00 C ATOM 0 H ILE A 78 -7.871 8.909 -0.687 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.181 11.033 -2.716 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.624 10.857 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.398 13.249 -0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.286 13.153 -1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.986 12.713 0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.288 11.285 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.834 12.674 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.619 12.753 -1.039 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.954 11.293 -1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.068 11.391 -0.035 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.857 11.171 -3.618 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.546 11.070 -4.319 1.00 0.00 C ATOM 1201 C GLU A 79 -3.624 12.212 -3.896 1.00 0.00 C ATOM 1202 O GLU A 79 -4.065 13.288 -3.539 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.775 11.140 -5.829 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.664 9.977 -6.274 1.00 0.00 C ATOM 1205 CD GLU A 79 -5.845 10.022 -7.793 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -5.458 11.015 -8.384 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -6.361 9.061 -8.338 1.00 0.00 O ATOM 0 H GLU A 79 -6.486 11.886 -3.984 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.077 10.122 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.244 12.089 -6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.820 11.101 -6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.215 9.029 -5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.634 10.037 -5.780 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.341 11.982 -3.944 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.379 13.049 -3.551 1.00 0.00 C ATOM 1217 C GLY A 80 -0.814 12.741 -2.163 1.00 0.00 C ATOM 1218 O GLY A 80 0.248 13.203 -1.797 1.00 0.00 O ATOM 0 H GLY A 80 -1.918 11.102 -4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.570 13.110 -4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.877 14.018 -3.546 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.520 11.962 -1.388 1.00 0.00 N ATOM 1223 CA PHE A 81 -1.029 11.623 -0.028 1.00 0.00 C ATOM 1224 C PHE A 81 -0.649 10.155 0.026 1.00 0.00 C ATOM 1225 O PHE A 81 -1.415 9.290 -0.352 1.00 0.00 O ATOM 1226 CB PHE A 81 -2.118 11.873 1.010 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.621 11.395 2.351 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.726 10.043 2.690 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -1.044 12.295 3.245 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.257 9.592 3.930 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.575 11.848 4.484 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.680 10.496 4.829 1.00 0.00 C ATOM 0 H PHE A 81 -2.417 11.547 -1.642 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.164 12.250 0.189 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.363 12.934 1.053 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.031 11.346 0.735 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.169 9.345 1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.959 13.339 2.981 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.340 8.548 4.192 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.131 12.548 5.176 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.317 10.151 5.786 1.00 0.00 H new ATOM 1242 N LYS A 82 0.513 9.856 0.522 1.00 0.00 N ATOM 1243 CA LYS A 82 0.913 8.437 0.628 1.00 0.00 C ATOM 1244 C LYS A 82 1.988 8.289 1.694 1.00 0.00 C ATOM 1245 O LYS A 82 2.853 9.125 1.850 1.00 0.00 O ATOM 1246 CB LYS A 82 1.462 7.923 -0.693 1.00 0.00 C ATOM 1247 CG LYS A 82 1.543 6.400 -0.625 1.00 0.00 C ATOM 1248 CD LYS A 82 1.900 5.850 -2.001 1.00 0.00 C ATOM 1249 CE LYS A 82 3.045 4.848 -1.873 1.00 0.00 C ATOM 1250 NZ LYS A 82 2.970 3.873 -2.997 1.00 0.00 N ATOM 0 H LYS A 82 1.200 10.532 0.857 1.00 0.00 H new ATOM 0 HA LYS A 82 0.030 7.856 0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.818 8.232 -1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.448 8.347 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.293 6.097 0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.590 5.989 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.030 5.368 -2.448 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.189 6.665 -2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.003 5.368 -1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.983 4.326 -0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.748 3.188 -2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.060 3.370 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.049 4.380 -3.902 1.00 0.00 H new ATOM 1264 N ARG A 83 1.932 7.217 2.418 1.00 0.00 N ATOM 1265 CA ARG A 83 2.942 6.968 3.478 1.00 0.00 C ATOM 1266 C ARG A 83 2.810 5.519 3.943 1.00 0.00 C ATOM 1267 O ARG A 83 1.718 5.029 4.141 1.00 0.00 O ATOM 1268 CB ARG A 83 2.684 7.904 4.660 1.00 0.00 C ATOM 1269 CG ARG A 83 3.820 7.784 5.681 1.00 0.00 C ATOM 1270 CD ARG A 83 5.028 8.588 5.201 1.00 0.00 C ATOM 1271 NE ARG A 83 6.117 8.496 6.213 1.00 0.00 N ATOM 1272 CZ ARG A 83 6.920 9.505 6.398 1.00 0.00 C ATOM 1273 NH1 ARG A 83 6.789 10.583 5.677 1.00 0.00 N ATOM 1274 NH2 ARG A 83 7.861 9.432 7.300 1.00 0.00 N ATOM 0 H ARG A 83 1.222 6.491 2.322 1.00 0.00 H new ATOM 0 HA ARG A 83 3.944 7.149 3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.606 8.933 4.309 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.733 7.655 5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.489 8.151 6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.096 6.738 5.812 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.375 8.206 4.241 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.747 9.630 5.046 1.00 0.00 H new ATOM 0 HE ARG A 83 6.234 7.644 6.761 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.058 10.637 4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.418 11.373 5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.967 8.585 7.859 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.490 10.221 7.446 1.00 0.00 H new ATOM 1288 N GLU A 84 3.900 4.825 4.130 1.00 0.00 N ATOM 1289 CA GLU A 84 3.788 3.416 4.589 1.00 0.00 C ATOM 1290 C GLU A 84 4.437 3.245 5.957 1.00 0.00 C ATOM 1291 O GLU A 84 5.532 3.708 6.199 1.00 0.00 O ATOM 1292 CB GLU A 84 4.460 2.475 3.595 1.00 0.00 C ATOM 1293 CG GLU A 84 5.869 2.966 3.249 1.00 0.00 C ATOM 1294 CD GLU A 84 5.803 4.284 2.473 1.00 0.00 C ATOM 1295 OE1 GLU A 84 6.814 4.967 2.428 1.00 0.00 O ATOM 1296 OE2 GLU A 84 4.752 4.583 1.930 1.00 0.00 O ATOM 0 H GLU A 84 4.850 5.169 3.987 1.00 0.00 H new ATOM 0 HA GLU A 84 2.729 3.170 4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.513 1.471 4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.860 2.409 2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.447 3.104 4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.387 2.213 2.655 1.00 0.00 H new ATOM 1304 N LEU A 85 3.779 2.561 6.854 1.00 0.00 N ATOM 1305 CA LEU A 85 4.386 2.354 8.186 1.00 0.00 C ATOM 1306 C LEU A 85 5.096 1.005 8.164 1.00 0.00 C ATOM 1307 O LEU A 85 4.482 -0.035 8.025 1.00 0.00 O ATOM 1308 CB LEU A 85 3.291 2.352 9.259 1.00 0.00 C ATOM 1309 CG LEU A 85 2.304 3.501 9.008 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.395 3.672 10.223 1.00 0.00 C ATOM 1311 CD2 LEU A 85 3.050 4.812 8.751 1.00 0.00 C ATOM 0 H LEU A 85 2.858 2.144 6.718 1.00 0.00 H new ATOM 0 HA LEU A 85 5.091 3.152 8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.762 1.399 9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.739 2.457 10.247 1.00 0.00 H new ATOM 0 HG LEU A 85 1.709 3.256 8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.696 4.488 10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.840 2.750 10.395 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.000 3.900 11.101 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.330 5.612 8.576 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.662 5.058 9.619 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.690 4.701 7.875 1.00 0.00 H new ATOM 1323 N ASN A 86 6.390 1.008 8.291 1.00 0.00 N ATOM 1324 CA ASN A 86 7.129 -0.277 8.261 1.00 0.00 C ATOM 1325 C ASN A 86 7.766 -0.526 9.624 1.00 0.00 C ATOM 1326 O ASN A 86 8.566 0.255 10.096 1.00 0.00 O ATOM 1327 CB ASN A 86 8.222 -0.211 7.194 1.00 0.00 C ATOM 1328 CG ASN A 86 7.751 0.656 6.023 1.00 0.00 C ATOM 1329 OD1 ASN A 86 6.474 0.869 5.850 1.00 0.00 O flip ATOM 1330 ND2 ASN A 86 8.556 1.154 5.261 1.00 0.00 N flip ATOM 0 H ASN A 86 6.965 1.842 8.414 1.00 0.00 H new ATOM 0 HA ASN A 86 6.440 -1.088 8.026 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.135 0.203 7.621 1.00 0.00 H new ATOM 0 HB3 ASN A 86 8.461 -1.215 6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 86 9.554 0.989 5.394 1.00 0.00 H new ATOM 0 HD22 ASN A 86 8.234 1.737 4.488 1.00 0.00 H new ATOM 1337 N TYR A 87 7.425 -1.613 10.258 1.00 0.00 N ATOM 1338 CA TYR A 87 8.019 -1.915 11.584 1.00 0.00 C ATOM 1339 C TYR A 87 7.980 -3.415 11.829 1.00 0.00 C ATOM 1340 O TYR A 87 7.162 -4.129 11.280 1.00 0.00 O ATOM 1341 CB TYR A 87 7.236 -1.208 12.686 1.00 0.00 C ATOM 1342 CG TYR A 87 5.754 -1.441 12.484 1.00 0.00 C ATOM 1343 CD1 TYR A 87 5.160 -2.623 12.948 1.00 0.00 C ATOM 1344 CD2 TYR A 87 4.977 -0.480 11.825 1.00 0.00 C ATOM 1345 CE1 TYR A 87 3.789 -2.842 12.751 1.00 0.00 C ATOM 1346 CE2 TYR A 87 3.605 -0.701 11.631 1.00 0.00 C ATOM 1347 CZ TYR A 87 3.013 -1.881 12.092 1.00 0.00 C ATOM 1348 OH TYR A 87 1.664 -2.095 11.898 1.00 0.00 O ATOM 0 H TYR A 87 6.760 -2.304 9.912 1.00 0.00 H new ATOM 0 HA TYR A 87 9.051 -1.564 11.595 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.544 -1.582 13.662 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.452 -0.140 12.672 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.758 -3.365 13.457 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.434 0.431 11.466 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.331 -3.753 13.108 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.005 0.041 11.125 1.00 0.00 H new ATOM 0 HH TYR A 87 1.276 -1.329 11.426 1.00 0.00 H new ATOM 1444 N PRO A 93 9.451 -7.430 9.770 1.00 0.00 N ATOM 1445 CA PRO A 93 9.074 -6.059 9.330 1.00 0.00 C ATOM 1446 C PRO A 93 8.105 -6.079 8.180 1.00 0.00 C ATOM 1447 O PRO A 93 8.360 -6.675 7.157 1.00 0.00 O ATOM 1448 CB PRO A 93 10.373 -5.466 8.841 1.00 0.00 C ATOM 1449 CG PRO A 93 11.146 -6.638 8.345 1.00 0.00 C ATOM 1450 CD PRO A 93 10.759 -7.818 9.228 1.00 0.00 C ATOM 0 HA PRO A 93 8.595 -5.507 10.139 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.204 -4.736 8.049 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.902 -4.950 9.642 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.912 -6.843 7.300 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.218 -6.447 8.401 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.697 -8.744 8.656 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.489 -7.982 10.021 1.00 0.00 H new ATOM 1458 N LYS A 94 7.017 -5.407 8.317 1.00 0.00 N ATOM 1459 CA LYS A 94 6.039 -5.379 7.208 1.00 0.00 C ATOM 1460 C LYS A 94 5.819 -3.949 6.758 1.00 0.00 C ATOM 1461 O LYS A 94 5.459 -3.088 7.537 1.00 0.00 O ATOM 1462 CB LYS A 94 4.697 -5.956 7.659 1.00 0.00 C ATOM 1463 CG LYS A 94 4.901 -7.232 8.477 1.00 0.00 C ATOM 1464 CD LYS A 94 3.698 -8.151 8.273 1.00 0.00 C ATOM 1465 CE LYS A 94 2.420 -7.368 8.559 1.00 0.00 C ATOM 1466 NZ LYS A 94 1.391 -8.280 9.132 1.00 0.00 N ATOM 0 H LYS A 94 6.756 -4.874 9.146 1.00 0.00 H new ATOM 0 HA LYS A 94 6.435 -5.979 6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.161 -5.218 8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.078 -6.172 6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.816 -7.736 8.167 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.014 -6.988 9.533 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.685 -8.533 7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.767 -9.014 8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.628 -6.555 9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.047 -6.914 7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.661 -7.719 9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.952 -8.832 8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.840 -8.926 9.812 1.00 0.00 H new ATOM 1480 N THR A 95 5.993 -3.692 5.498 1.00 0.00 N ATOM 1481 CA THR A 95 5.751 -2.319 5.003 1.00 0.00 C ATOM 1482 C THR A 95 4.252 -2.156 4.829 1.00 0.00 C ATOM 1483 O THR A 95 3.597 -2.974 4.217 1.00 0.00 O ATOM 1484 CB THR A 95 6.443 -2.097 3.654 1.00 0.00 C ATOM 1485 OG1 THR A 95 7.851 -2.162 3.825 1.00 0.00 O ATOM 1486 CG2 THR A 95 6.057 -0.717 3.098 1.00 0.00 C ATOM 0 H THR A 95 6.290 -4.368 4.795 1.00 0.00 H new ATOM 0 HA THR A 95 6.151 -1.594 5.712 1.00 0.00 H new ATOM 0 HB THR A 95 6.127 -2.871 2.955 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.292 -2.022 2.961 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.550 -0.560 2.139 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.976 -0.668 2.963 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.371 0.058 3.798 1.00 0.00 H new ATOM 1494 N VAL A 96 3.699 -1.115 5.366 1.00 0.00 N ATOM 1495 CA VAL A 96 2.240 -0.910 5.228 1.00 0.00 C ATOM 1496 C VAL A 96 1.998 0.433 4.539 1.00 0.00 C ATOM 1497 O VAL A 96 2.444 1.452 5.003 1.00 0.00 O ATOM 1498 CB VAL A 96 1.616 -0.926 6.621 1.00 0.00 C ATOM 1499 CG1 VAL A 96 0.105 -0.770 6.493 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.928 -2.271 7.289 1.00 0.00 C ATOM 0 H VAL A 96 4.194 -0.397 5.895 1.00 0.00 H new ATOM 0 HA VAL A 96 1.787 -1.699 4.628 1.00 0.00 H new ATOM 0 HB VAL A 96 2.021 -0.110 7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.347 -0.781 7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.123 0.175 6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.297 -1.593 5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.487 -2.293 8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.511 -3.080 6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.008 -2.396 7.368 1.00 0.00 H new ATOM 1510 N ILE A 97 1.301 0.433 3.431 1.00 0.00 N ATOM 1511 CA ILE A 97 1.039 1.710 2.695 1.00 0.00 C ATOM 1512 C ILE A 97 -0.393 2.149 2.953 1.00 0.00 C ATOM 1513 O ILE A 97 -1.324 1.397 2.756 1.00 0.00 O ATOM 1514 CB ILE A 97 1.244 1.472 1.197 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.661 0.926 0.962 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.037 2.777 0.425 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.593 2.034 0.451 1.00 0.00 C ATOM 0 H ILE A 97 0.900 -0.400 3.001 1.00 0.00 H new ATOM 0 HA ILE A 97 1.723 2.487 3.038 1.00 0.00 H new ATOM 0 HB ILE A 97 0.516 0.744 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.055 0.512 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.627 0.111 0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.185 2.597 -0.640 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.024 3.143 0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.754 3.522 0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.591 1.625 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.208 2.429 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.643 2.836 1.188 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.581 3.355 3.412 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.960 3.810 3.710 1.00 0.00 C ATOM 1531 C TYR A 98 -2.391 4.942 2.776 1.00 0.00 C ATOM 1532 O TYR A 98 -1.665 5.883 2.525 1.00 0.00 O ATOM 1533 CB TYR A 98 -2.024 4.327 5.146 1.00 0.00 C ATOM 1534 CG TYR A 98 -1.954 3.177 6.133 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -3.022 2.279 6.243 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.829 3.029 6.949 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -2.969 1.237 7.175 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.774 1.981 7.878 1.00 0.00 C ATOM 1539 CZ TYR A 98 -1.844 1.085 7.989 1.00 0.00 C ATOM 1540 OH TYR A 98 -1.793 0.058 8.906 1.00 0.00 O ATOM 0 H TYR A 98 0.156 4.037 3.591 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.628 2.960 3.569 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.201 5.018 5.326 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.948 4.886 5.296 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.888 2.391 5.608 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.004 3.721 6.864 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.798 0.550 7.265 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.095 1.865 8.509 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.942 0.094 9.390 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.601 4.860 2.296 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.153 5.924 1.417 1.00 0.00 C ATOM 1552 C TRP A 99 -5.361 6.520 2.132 1.00 0.00 C ATOM 1553 O TRP A 99 -6.130 5.806 2.741 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.607 5.318 0.089 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.443 5.165 -0.830 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -2.956 6.138 -1.632 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.622 3.986 -1.065 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -1.883 5.629 -2.345 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.640 4.303 -2.032 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.634 2.684 -0.535 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.706 3.358 -2.462 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.696 1.731 -0.965 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.733 2.068 -1.927 1.00 0.00 C ATOM 0 H TRP A 99 -4.240 4.086 2.480 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.397 6.683 1.215 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.072 4.348 0.263 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.362 5.955 -0.371 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.340 7.145 -1.705 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.338 6.166 -3.019 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.370 2.415 0.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 0.033 3.623 -3.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.717 0.733 -0.552 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.014 1.332 -2.254 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.558 7.802 2.081 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.737 8.355 2.791 1.00 0.00 C ATOM 1576 C LEU A 100 -7.995 8.013 1.992 1.00 0.00 C ATOM 1577 O LEU A 100 -8.047 8.186 0.790 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.597 9.871 2.925 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.115 10.248 2.882 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -4.946 11.720 3.259 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.335 9.384 3.874 1.00 0.00 C ATOM 0 H LEU A 100 -4.971 8.477 1.592 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.807 7.923 3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.134 10.370 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.043 10.208 3.861 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.735 10.083 1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.889 11.985 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.497 12.342 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.331 11.884 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.280 9.655 3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.720 9.548 4.880 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.448 8.333 3.609 1.00 0.00 H new ATOM 1593 N ALA A 101 -9.005 7.506 2.645 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.248 7.136 1.909 1.00 0.00 C ATOM 1595 C ALA A 101 -11.470 7.687 2.631 1.00 0.00 C ATOM 1596 O ALA A 101 -11.467 7.867 3.832 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.359 5.616 1.835 1.00 0.00 C ATOM 0 H ALA A 101 -9.024 7.333 3.650 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.202 7.558 0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.267 5.343 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.492 5.213 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.397 5.204 2.844 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.519 7.950 1.910 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.750 8.486 2.550 1.00 0.00 C ATOM 1605 C GLU A 102 -14.940 7.603 2.180 1.00 0.00 C ATOM 1606 O GLU A 102 -15.251 7.435 1.018 1.00 0.00 O ATOM 1607 CB GLU A 102 -13.993 9.909 2.042 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.230 10.498 2.718 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.566 11.843 2.072 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -14.815 12.271 1.211 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -16.576 12.419 2.445 1.00 0.00 O ATOM 0 H GLU A 102 -12.579 7.817 0.900 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.631 8.495 3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.123 10.532 2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.128 9.900 0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.073 9.814 2.620 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.048 10.629 3.785 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.624 7.044 3.149 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.791 6.186 2.811 1.00 0.00 C ATOM 1621 C VAL A 103 -17.968 7.078 2.432 1.00 0.00 C ATOM 1622 O VAL A 103 -18.293 8.035 3.105 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.135 5.258 3.980 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.856 4.615 4.473 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.752 6.022 5.148 1.00 0.00 C ATOM 0 H VAL A 103 -15.425 7.145 4.144 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.548 5.549 1.961 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.855 4.520 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.081 3.950 5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.401 4.043 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.163 5.389 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.981 5.328 5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.047 6.773 5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.669 6.511 4.819 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.566 6.782 1.315 1.00 0.00 N ATOM 1636 CA LYS A 104 -19.691 7.602 0.790 1.00 0.00 C ATOM 1637 C LYS A 104 -20.829 7.721 1.803 1.00 0.00 C ATOM 1638 O LYS A 104 -21.412 8.775 1.963 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.234 6.902 -0.449 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.106 6.701 -1.451 1.00 0.00 C ATOM 1641 CD LYS A 104 -19.624 5.842 -2.600 1.00 0.00 C ATOM 1642 CE LYS A 104 -18.461 5.419 -3.499 1.00 0.00 C ATOM 1643 NZ LYS A 104 -19.002 4.903 -4.790 1.00 0.00 N ATOM 0 H LYS A 104 -18.316 5.986 0.729 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.320 8.604 0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -20.668 5.940 -0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -21.031 7.496 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -18.757 7.663 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -18.255 6.218 -0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -20.130 4.960 -2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -20.359 6.400 -3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.799 6.266 -3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -17.866 4.650 -3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.342 5.134 -5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -19.118 3.871 -4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -19.924 5.344 -4.981 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.187 6.654 2.455 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.329 6.732 3.409 1.00 0.00 C ATOM 1659 C ASP A 105 -21.844 6.923 4.839 1.00 0.00 C ATOM 1660 O ASP A 105 -20.880 6.331 5.266 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.133 5.440 3.336 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.613 5.766 3.145 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -25.299 4.962 2.537 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.038 6.810 3.608 1.00 0.00 O ATOM 0 H ASP A 105 -20.745 5.739 2.372 1.00 0.00 H new ATOM 0 HA ASP A 105 -22.944 7.588 3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -22.777 4.824 2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -22.993 4.861 4.249 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.539 7.731 5.587 1.00 0.00 N ATOM 1671 CA TYR A 106 -22.159 7.948 7.011 1.00 0.00 C ATOM 1672 C TYR A 106 -22.444 6.661 7.774 1.00 0.00 C ATOM 1673 O TYR A 106 -21.666 6.212 8.595 1.00 0.00 O ATOM 1674 CB TYR A 106 -22.991 9.087 7.605 1.00 0.00 C ATOM 1675 CG TYR A 106 -22.619 9.281 9.055 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -21.367 9.810 9.394 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -23.532 8.948 10.061 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -21.031 10.002 10.738 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -23.194 9.140 11.404 1.00 0.00 C ATOM 1680 CZ TYR A 106 -21.943 9.667 11.741 1.00 0.00 C ATOM 1681 OH TYR A 106 -21.611 9.859 13.063 1.00 0.00 O ATOM 0 H TYR A 106 -23.357 8.253 5.273 1.00 0.00 H new ATOM 0 HA TYR A 106 -21.104 8.212 7.083 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -22.817 10.007 7.048 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -24.053 8.859 7.519 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.662 10.069 8.618 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -24.498 8.542 9.800 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -20.066 10.410 11.000 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.898 8.882 12.181 1.00 0.00 H new ATOM 0 HH TYR A 106 -22.357 9.576 13.632 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.557 6.061 7.481 1.00 0.00 N ATOM 1692 CA ASP A 107 -23.933 4.789 8.148 1.00 0.00 C ATOM 1693 C ASP A 107 -23.530 3.635 7.244 1.00 0.00 C ATOM 1694 O ASP A 107 -24.059 2.543 7.336 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.445 4.757 8.380 1.00 0.00 C ATOM 1696 CG ASP A 107 -25.824 5.811 9.420 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -24.933 6.284 10.107 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -26.998 6.128 9.514 1.00 0.00 O ATOM 0 H ASP A 107 -24.233 6.402 6.798 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.427 4.706 9.110 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -25.971 4.948 7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -25.750 3.768 8.721 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.595 3.872 6.365 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.150 2.796 5.450 1.00 0.00 C ATOM 1706 C VAL A 108 -22.064 1.506 6.253 1.00 0.00 C ATOM 1707 O VAL A 108 -21.840 1.519 7.448 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.782 3.173 4.875 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.896 3.654 6.012 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.120 1.969 4.204 1.00 0.00 C ATOM 0 H VAL A 108 -22.122 4.768 6.245 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.847 2.662 4.623 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.916 3.955 4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.916 3.927 5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.352 4.523 6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.783 2.857 6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.150 2.263 3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -19.984 1.173 4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.754 1.611 3.393 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.273 0.394 5.620 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.234 -0.878 6.359 1.00 0.00 C ATOM 1722 C GLU A 109 -20.809 -1.215 6.744 1.00 0.00 C ATOM 1723 O GLU A 109 -19.856 -0.909 6.049 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.833 -1.996 5.513 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.735 -2.961 5.063 1.00 0.00 C ATOM 1726 CD GLU A 109 -22.300 -3.894 3.991 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -21.519 -4.565 3.342 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -23.511 -3.926 3.845 1.00 0.00 O ATOM 0 H GLU A 109 -22.469 0.315 4.622 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.825 -0.774 7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.587 -2.534 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -23.336 -1.574 4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.884 -2.406 4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -21.371 -3.540 5.912 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.680 -1.850 7.856 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.343 -2.250 8.350 1.00 0.00 C ATOM 1738 C ILE A 110 -19.310 -3.764 8.534 1.00 0.00 C ATOM 1739 O ILE A 110 -20.034 -4.320 9.337 1.00 0.00 O ATOM 1740 CB ILE A 110 -19.051 -1.539 9.674 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -18.900 -0.036 9.423 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -17.759 -2.085 10.272 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.749 0.212 8.440 1.00 0.00 C ATOM 0 H ILE A 110 -21.457 -2.117 8.460 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.578 -1.964 7.628 1.00 0.00 H new ATOM 0 HB ILE A 110 -19.874 -1.712 10.368 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.828 0.370 9.021 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -18.706 0.482 10.363 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.552 -1.578 11.215 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -17.865 -3.155 10.451 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -16.936 -1.912 9.579 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.645 1.283 8.264 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -16.822 -0.179 8.859 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.961 -0.292 7.497 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.470 -4.433 7.796 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.380 -5.911 7.925 1.00 0.00 C ATOM 1757 C ARG A 111 -17.064 -6.270 8.595 1.00 0.00 C ATOM 1758 O ARG A 111 -15.992 -6.121 8.039 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.471 -6.552 6.542 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.894 -6.370 6.020 1.00 0.00 C ATOM 1761 CD ARG A 111 -19.968 -6.744 4.537 1.00 0.00 C ATOM 1762 NE ARG A 111 -19.629 -8.185 4.360 1.00 0.00 N ATOM 1763 CZ ARG A 111 -19.853 -8.778 3.216 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -20.340 -8.098 2.209 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -19.587 -10.049 3.076 1.00 0.00 N ATOM 0 H ARG A 111 -17.841 -4.018 7.108 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.203 -6.285 8.534 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -17.755 -6.090 5.862 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -18.220 -7.611 6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.581 -6.992 6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -20.210 -5.336 6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -20.969 -6.547 4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -19.278 -6.126 3.962 1.00 0.00 H new ATOM 0 HE ARG A 111 -19.221 -8.710 5.134 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -20.545 -7.105 2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -20.514 -8.562 1.317 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -19.205 -10.579 3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -19.762 -10.511 2.184 1.00 0.00 H new ATOM 1779 N LEU A 112 -17.156 -6.726 9.803 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.937 -7.090 10.570 1.00 0.00 C ATOM 1781 C LEU A 112 -15.741 -8.605 10.554 1.00 0.00 C ATOM 1782 O LEU A 112 -16.687 -9.369 10.585 1.00 0.00 O ATOM 1783 CB LEU A 112 -16.088 -6.634 12.021 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.635 -5.203 12.081 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.470 -4.674 13.502 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.885 -4.287 11.110 1.00 0.00 C ATOM 0 H LEU A 112 -18.035 -6.865 10.302 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.077 -6.603 10.111 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.759 -7.309 12.552 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.123 -6.682 12.526 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.687 -5.216 11.796 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.856 -3.656 13.558 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -17.023 -5.310 14.193 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.414 -4.677 13.771 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.293 -3.278 11.173 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.827 -4.268 11.372 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -16.000 -4.662 10.093 1.00 0.00 H new ATOM 1798 N SER A 113 -14.513 -9.043 10.525 1.00 0.00 N ATOM 1799 CA SER A 113 -14.232 -10.506 10.526 1.00 0.00 C ATOM 1800 C SER A 113 -13.692 -10.896 11.903 1.00 0.00 C ATOM 1801 O SER A 113 -13.358 -10.046 12.704 1.00 0.00 O ATOM 1802 CB SER A 113 -13.180 -10.835 9.460 1.00 0.00 C ATOM 1803 OG SER A 113 -11.924 -10.302 9.858 1.00 0.00 O ATOM 0 H SER A 113 -13.686 -8.446 10.500 1.00 0.00 H new ATOM 0 HA SER A 113 -15.146 -11.057 10.306 1.00 0.00 H new ATOM 0 HB2 SER A 113 -13.104 -11.914 9.328 1.00 0.00 H new ATOM 0 HB3 SER A 113 -13.477 -10.417 8.498 1.00 0.00 H new ATOM 0 HG SER A 113 -11.875 -9.357 9.604 1.00 0.00 H new ATOM 1809 N HIS A 114 -13.602 -12.166 12.189 1.00 0.00 N ATOM 1810 CA HIS A 114 -13.082 -12.588 13.521 1.00 0.00 C ATOM 1811 C HIS A 114 -11.852 -11.751 13.856 1.00 0.00 C ATOM 1812 O HIS A 114 -11.545 -11.501 15.004 1.00 0.00 O ATOM 1813 CB HIS A 114 -12.688 -14.062 13.471 1.00 0.00 C ATOM 1814 CG HIS A 114 -13.909 -14.896 13.220 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -14.857 -15.122 14.206 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -14.360 -15.558 12.104 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -15.824 -15.891 13.672 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -15.567 -16.184 12.394 1.00 0.00 N ATOM 0 H HIS A 114 -13.864 -12.926 11.562 1.00 0.00 H new ATOM 0 HA HIS A 114 -13.851 -12.444 14.280 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -11.953 -14.227 12.683 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -12.220 -14.357 14.410 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -13.855 -15.588 11.150 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -16.698 -16.229 14.209 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -16.137 -16.748 11.764 1.00 0.00 H new ATOM 1827 N GLU A 115 -11.149 -11.311 12.856 1.00 0.00 N ATOM 1828 CA GLU A 115 -9.944 -10.475 13.098 1.00 0.00 C ATOM 1829 C GLU A 115 -10.354 -9.180 13.809 1.00 0.00 C ATOM 1830 O GLU A 115 -9.608 -8.635 14.598 1.00 0.00 O ATOM 1831 CB GLU A 115 -9.296 -10.133 11.758 1.00 0.00 C ATOM 1832 CG GLU A 115 -8.000 -9.349 11.989 1.00 0.00 C ATOM 1833 CD GLU A 115 -7.415 -8.929 10.641 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -6.328 -8.373 10.634 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -8.069 -9.163 9.637 1.00 0.00 O ATOM 0 H GLU A 115 -11.358 -11.495 11.875 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.237 -11.022 13.721 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.084 -11.047 11.203 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.984 -9.544 11.151 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.198 -8.470 12.602 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.283 -9.963 12.534 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.537 -8.682 13.542 1.00 0.00 N ATOM 1844 CA HIS A 116 -11.985 -7.427 14.209 1.00 0.00 C ATOM 1845 C HIS A 116 -13.267 -7.706 14.990 1.00 0.00 C ATOM 1846 O HIS A 116 -14.196 -8.309 14.489 1.00 0.00 O ATOM 1847 CB HIS A 116 -12.235 -6.348 13.156 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.923 -5.961 12.531 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -10.018 -5.128 13.172 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -10.345 -6.296 11.334 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -8.950 -4.991 12.363 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -9.102 -5.686 11.231 1.00 0.00 N ATOM 0 H HIS A 116 -12.208 -9.092 12.892 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.214 -7.077 14.895 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.921 -6.718 12.394 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.706 -5.478 13.613 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -10.788 -6.936 10.586 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -8.081 -4.395 12.599 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -8.443 -5.754 10.455 1.00 0.00 H new ATOM 1861 N GLN A 117 -13.320 -7.287 16.221 1.00 0.00 N ATOM 1862 CA GLN A 117 -14.531 -7.540 17.047 1.00 0.00 C ATOM 1863 C GLN A 117 -15.530 -6.389 16.932 1.00 0.00 C ATOM 1864 O GLN A 117 -16.725 -6.596 16.988 1.00 0.00 O ATOM 1865 CB GLN A 117 -14.109 -7.718 18.502 1.00 0.00 C ATOM 1866 CG GLN A 117 -15.337 -7.679 19.410 1.00 0.00 C ATOM 1867 CD GLN A 117 -14.925 -8.043 20.837 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -13.790 -8.403 21.082 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -15.803 -7.968 21.798 1.00 0.00 N ATOM 0 H GLN A 117 -12.573 -6.778 16.693 1.00 0.00 H new ATOM 0 HA GLN A 117 -15.021 -8.444 16.685 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -13.586 -8.666 18.624 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.411 -6.930 18.786 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -15.785 -6.686 19.391 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -16.093 -8.377 19.049 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -16.756 -7.666 21.596 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -15.537 -8.211 22.752 1.00 0.00 H new ATOM 1878 N ALA A 118 -15.072 -5.180 16.796 1.00 0.00 N ATOM 1879 CA ALA A 118 -16.036 -4.052 16.706 1.00 0.00 C ATOM 1880 C ALA A 118 -15.337 -2.818 16.140 1.00 0.00 C ATOM 1881 O ALA A 118 -14.126 -2.740 16.115 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.585 -3.756 18.101 1.00 0.00 C ATOM 0 H ALA A 118 -14.086 -4.925 16.744 1.00 0.00 H new ATOM 0 HA ALA A 118 -16.858 -4.320 16.042 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -17.293 -2.930 18.045 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -17.090 -4.641 18.489 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.764 -3.486 18.765 1.00 0.00 H new ATOM 1888 N TYR A 119 -16.091 -1.856 15.675 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.462 -0.635 15.098 1.00 0.00 C ATOM 1890 C TYR A 119 -16.113 0.622 15.674 1.00 0.00 C ATOM 1891 O TYR A 119 -17.266 0.618 16.061 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.653 -0.639 13.583 1.00 0.00 C ATOM 1893 CG TYR A 119 -17.102 -0.377 13.258 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -18.018 -1.431 13.266 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.528 0.919 12.945 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.358 -1.194 12.960 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.873 1.155 12.641 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.786 0.098 12.646 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.110 0.328 12.341 1.00 0.00 O ATOM 0 H TYR A 119 -17.111 -1.864 15.670 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.401 -0.635 15.347 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -15.023 0.123 13.124 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.344 -1.599 13.169 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.689 -2.430 13.509 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.820 1.735 12.938 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -20.065 -2.010 12.966 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.205 2.155 12.402 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.241 1.280 12.148 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.388 1.704 15.712 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.967 2.972 16.242 1.00 0.00 C ATOM 1911 C ARG A 120 -15.622 4.122 15.299 1.00 0.00 C ATOM 1912 O ARG A 120 -14.607 4.111 14.632 1.00 0.00 O ATOM 1913 CB ARG A 120 -15.384 3.282 17.624 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.820 2.215 18.627 1.00 0.00 C ATOM 1915 CD ARG A 120 -15.288 2.575 20.019 1.00 0.00 C ATOM 1916 NE ARG A 120 -15.495 1.432 20.951 1.00 0.00 N ATOM 1917 CZ ARG A 120 -15.000 1.479 22.156 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -14.345 2.538 22.547 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -15.165 0.479 22.975 1.00 0.00 N ATOM 0 H ARG A 120 -14.419 1.767 15.399 1.00 0.00 H new ATOM 0 HA ARG A 120 -17.048 2.857 16.319 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -14.296 3.318 17.569 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.719 4.264 17.957 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.907 2.144 18.649 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.443 1.239 18.323 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.228 2.821 19.960 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.800 3.460 20.396 1.00 0.00 H new ATOM 0 HE ARG A 120 -16.023 0.614 20.647 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -14.222 3.325 21.910 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -13.956 2.578 23.489 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -15.684 -0.346 22.674 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -14.775 0.521 23.917 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.444 5.131 15.270 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.146 6.303 14.407 1.00 0.00 C ATOM 1935 C TRP A 121 -15.773 7.459 15.328 1.00 0.00 C ATOM 1936 O TRP A 121 -16.605 7.998 16.031 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.373 6.660 13.557 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.434 5.734 12.382 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.086 4.547 12.355 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.818 5.898 11.073 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -17.905 3.966 11.107 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.126 4.764 10.280 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -16.028 6.914 10.504 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.656 4.646 8.966 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.559 6.799 9.186 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.871 5.669 8.419 1.00 0.00 C ATOM 0 H TRP A 121 -17.309 5.194 15.807 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.327 6.084 13.722 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.282 6.574 14.152 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.310 7.694 13.219 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.653 4.122 13.170 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.296 3.065 10.832 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.781 7.789 11.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -16.897 3.772 8.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -14.954 7.586 8.761 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.506 5.587 7.406 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.516 7.818 15.360 1.00 0.00 N ATOM 1958 CA LEU A 122 -14.071 8.911 16.273 1.00 0.00 C ATOM 1959 C LEU A 122 -13.299 9.969 15.493 1.00 0.00 C ATOM 1960 O LEU A 122 -13.026 9.818 14.321 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.153 8.338 17.359 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.511 6.873 17.639 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.380 5.977 17.146 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.705 6.663 19.144 1.00 0.00 C ATOM 0 H LEU A 122 -13.778 7.401 14.793 1.00 0.00 H new ATOM 0 HA LEU A 122 -14.953 9.362 16.727 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.113 8.411 17.041 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.249 8.924 18.273 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.436 6.622 17.120 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.630 4.934 17.343 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.242 6.121 16.074 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.458 6.234 17.668 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.959 5.621 19.336 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.783 6.914 19.668 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.511 7.304 19.500 1.00 0.00 H new ATOM 1976 N GLY A 123 -12.939 11.043 16.145 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.175 12.118 15.457 1.00 0.00 C ATOM 1978 C GLY A 123 -10.689 11.755 15.450 1.00 0.00 C ATOM 1979 O GLY A 123 -10.296 10.682 15.869 1.00 0.00 O ATOM 0 H GLY A 123 -13.143 11.220 17.128 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.536 12.241 14.436 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.326 13.070 15.965 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.857 12.639 14.968 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.394 12.353 14.913 1.00 0.00 C ATOM 1985 C LEU A 124 -7.840 12.072 16.312 1.00 0.00 C ATOM 1986 O LEU A 124 -7.032 11.184 16.493 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.674 13.565 14.317 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.162 13.343 14.348 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.817 11.988 13.733 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.478 14.438 13.537 1.00 0.00 C ATOM 0 H LEU A 124 -10.130 13.553 14.608 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.230 11.471 14.294 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.005 13.727 13.291 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.930 14.463 14.880 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.821 13.369 15.383 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.737 11.840 13.760 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.306 11.196 14.300 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.161 11.959 12.699 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.399 14.285 13.556 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.832 14.402 12.507 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.714 15.411 13.968 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.246 12.830 17.292 1.00 0.00 N ATOM 2003 CA GLU A 125 -7.714 12.622 18.678 1.00 0.00 C ATOM 2004 C GLU A 125 -8.032 11.218 19.197 1.00 0.00 C ATOM 2005 O GLU A 125 -7.150 10.487 19.600 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.340 13.645 19.623 1.00 0.00 C ATOM 2007 CG GLU A 125 -9.856 13.417 19.720 1.00 0.00 C ATOM 2008 CD GLU A 125 -10.487 14.556 20.526 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -11.705 14.650 20.530 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -9.744 15.312 21.128 1.00 0.00 O ATOM 0 H GLU A 125 -8.924 13.587 17.198 1.00 0.00 H new ATOM 0 HA GLU A 125 -6.631 12.743 18.641 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -7.888 13.562 20.612 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.139 14.654 19.264 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.294 13.375 18.723 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.062 12.460 20.199 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.276 10.836 19.202 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.629 9.484 19.708 1.00 0.00 C ATOM 2020 C GLU A 126 -9.047 8.461 18.757 1.00 0.00 C ATOM 2021 O GLU A 126 -8.476 7.467 19.153 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.141 9.340 19.735 1.00 0.00 C ATOM 2023 CG GLU A 126 -11.685 9.574 21.146 1.00 0.00 C ATOM 2024 CD GLU A 126 -10.948 10.734 21.830 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -11.483 11.831 21.824 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -9.881 10.504 22.374 1.00 0.00 O ATOM 0 H GLU A 126 -10.062 11.400 18.878 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.235 9.337 20.713 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.591 10.053 19.044 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.422 8.344 19.393 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -12.752 9.793 21.097 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.573 8.666 21.739 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.160 8.716 17.495 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.582 7.779 16.525 1.00 0.00 C ATOM 2036 C ALA A 127 -7.088 7.692 16.853 1.00 0.00 C ATOM 2037 O ALA A 127 -6.440 6.687 16.632 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.826 8.300 15.106 1.00 0.00 C ATOM 0 H ALA A 127 -9.627 9.531 17.098 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.035 6.789 16.580 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.397 7.605 14.384 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.898 8.390 14.931 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.357 9.277 14.991 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.559 8.739 17.430 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.129 8.746 17.841 1.00 0.00 C ATOM 2046 C CYS A 128 -5.015 8.075 19.209 1.00 0.00 C ATOM 2047 O CYS A 128 -4.132 7.277 19.452 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.647 10.191 17.956 1.00 0.00 C ATOM 2049 SG CYS A 128 -4.002 10.492 19.618 1.00 0.00 S ATOM 0 H CYS A 128 -7.066 9.600 17.635 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.525 8.215 17.106 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -3.872 10.385 17.215 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -5.469 10.876 17.745 1.00 0.00 H new ATOM 0 HG CYS A 128 -4.991 10.685 20.439 1.00 0.00 H new ATOM 2055 N GLN A 129 -5.909 8.401 20.107 1.00 0.00 N ATOM 2056 CA GLN A 129 -5.864 7.790 21.462 1.00 0.00 C ATOM 2057 C GLN A 129 -5.988 6.274 21.329 1.00 0.00 C ATOM 2058 O GLN A 129 -5.192 5.522 21.857 1.00 0.00 O ATOM 2059 CB GLN A 129 -7.009 8.365 22.315 1.00 0.00 C ATOM 2060 CG GLN A 129 -8.281 7.516 22.203 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.173 6.279 23.100 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -7.102 5.931 23.551 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.253 5.598 23.392 1.00 0.00 N ATOM 0 H GLN A 129 -6.668 9.065 19.957 1.00 0.00 H new ATOM 0 HA GLN A 129 -4.918 8.020 21.953 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.696 8.416 23.358 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.223 9.385 21.997 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.149 8.109 22.492 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.433 7.211 21.168 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -10.156 5.887 23.015 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.191 4.779 23.996 1.00 0.00 H new ATOM 2072 N LEU A 130 -6.967 5.822 20.598 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.143 4.358 20.385 1.00 0.00 C ATOM 2074 C LEU A 130 -5.958 3.829 19.580 1.00 0.00 C ATOM 2075 O LEU A 130 -5.414 2.785 19.870 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.414 4.116 19.578 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.646 4.517 20.388 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.687 5.115 19.454 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.251 3.282 21.043 1.00 0.00 C ATOM 0 H LEU A 130 -7.660 6.410 20.134 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.207 3.854 21.349 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.378 4.689 18.651 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.481 3.064 19.300 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.353 5.241 21.148 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.568 5.403 20.028 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.272 5.994 18.961 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -10.968 4.377 18.703 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.130 3.570 21.620 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.541 2.567 20.273 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.516 2.824 21.705 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.550 4.555 18.570 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.391 4.100 17.755 1.00 0.00 C ATOM 2093 C ALA A 131 -3.123 4.425 18.520 1.00 0.00 C ATOM 2094 O ALA A 131 -2.237 5.096 18.032 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.372 4.821 16.415 1.00 0.00 C ATOM 0 H ALA A 131 -5.969 5.438 18.278 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.466 3.028 17.570 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.519 4.478 15.829 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.293 4.607 15.873 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.290 5.895 16.581 1.00 0.00 H new ATOM 2101 N GLN A 132 -3.058 3.958 19.729 1.00 0.00 N ATOM 2102 CA GLN A 132 -1.882 4.224 20.595 1.00 0.00 C ATOM 2103 C GLN A 132 -0.603 4.195 19.763 1.00 0.00 C ATOM 2104 O GLN A 132 0.316 4.951 19.999 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.790 3.149 21.680 1.00 0.00 C ATOM 2106 CG GLN A 132 -2.794 2.022 21.407 1.00 0.00 C ATOM 2107 CD GLN A 132 -4.130 2.342 22.077 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -4.337 3.532 22.574 1.00 0.00 O flip ATOM 2109 NE2 GLN A 132 -4.998 1.497 22.150 1.00 0.00 N flip ATOM 0 H GLN A 132 -3.786 3.391 20.164 1.00 0.00 H new ATOM 0 HA GLN A 132 -1.998 5.207 21.053 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.779 2.743 21.713 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -1.988 3.592 22.656 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -2.936 1.901 20.333 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.405 1.077 21.785 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -4.838 0.567 21.762 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -5.887 1.717 22.599 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.526 3.331 18.795 1.00 0.00 N ATOM 2119 CA PHE A 133 0.712 3.273 17.974 1.00 0.00 C ATOM 2120 C PHE A 133 0.997 4.663 17.394 1.00 0.00 C ATOM 2121 O PHE A 133 0.175 5.248 16.720 1.00 0.00 O ATOM 2122 CB PHE A 133 0.520 2.257 16.849 1.00 0.00 C ATOM 2123 CG PHE A 133 0.427 0.872 17.452 1.00 0.00 C ATOM 2124 CD1 PHE A 133 -0.748 0.473 18.106 1.00 0.00 C ATOM 2125 CD2 PHE A 133 1.513 -0.012 17.363 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -0.838 -0.805 18.669 1.00 0.00 C ATOM 2127 CE2 PHE A 133 1.420 -1.293 17.927 1.00 0.00 C ATOM 2128 CZ PHE A 133 0.245 -1.685 18.580 1.00 0.00 C ATOM 0 H PHE A 133 -1.258 2.668 18.537 1.00 0.00 H new ATOM 0 HA PHE A 133 1.557 2.966 18.589 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.385 2.485 16.286 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.353 2.308 16.148 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -1.584 1.153 18.175 1.00 0.00 H new ATOM 0 HD2 PHE A 133 2.419 0.293 16.861 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.743 -1.111 19.172 1.00 0.00 H new ATOM 0 HE2 PHE A 133 2.254 -1.976 17.858 1.00 0.00 H new ATOM 0 HZ PHE A 133 0.175 -2.670 19.016 1.00 0.00 H new ATOM 2138 N LYS A 134 2.158 5.190 17.662 1.00 0.00 N ATOM 2139 CA LYS A 134 2.511 6.544 17.151 1.00 0.00 C ATOM 2140 C LYS A 134 2.401 6.582 15.627 1.00 0.00 C ATOM 2141 O LYS A 134 2.030 7.580 15.043 1.00 0.00 O ATOM 2142 CB LYS A 134 3.951 6.866 17.557 1.00 0.00 C ATOM 2143 CG LYS A 134 4.352 8.248 17.032 1.00 0.00 C ATOM 2144 CD LYS A 134 5.813 8.524 17.405 1.00 0.00 C ATOM 2145 CE LYS A 134 6.171 9.971 17.058 1.00 0.00 C ATOM 2146 NZ LYS A 134 7.536 10.288 17.574 1.00 0.00 N ATOM 0 H LYS A 134 2.884 4.737 18.218 1.00 0.00 H new ATOM 0 HA LYS A 134 1.824 7.277 17.574 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.045 6.840 18.643 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.627 6.108 17.160 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.226 8.290 15.950 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.704 9.014 17.458 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.966 8.347 18.470 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.470 7.839 16.870 1.00 0.00 H new ATOM 0 HE2 LYS A 134 6.137 10.115 15.978 1.00 0.00 H new ATOM 0 HE3 LYS A 134 5.440 10.652 17.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 7.777 11.272 17.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 7.554 10.166 18.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 8.229 9.647 17.138 1.00 0.00 H new ATOM 2160 N GLU A 135 2.742 5.508 14.982 1.00 0.00 N ATOM 2161 CA GLU A 135 2.686 5.483 13.496 1.00 0.00 C ATOM 2162 C GLU A 135 1.277 5.809 13.038 1.00 0.00 C ATOM 2163 O GLU A 135 1.067 6.553 12.103 1.00 0.00 O ATOM 2164 CB GLU A 135 3.028 4.079 13.019 1.00 0.00 C ATOM 2165 CG GLU A 135 4.178 3.533 13.854 1.00 0.00 C ATOM 2166 CD GLU A 135 4.537 2.136 13.363 1.00 0.00 C ATOM 2167 OE1 GLU A 135 5.548 1.616 13.801 1.00 0.00 O ATOM 2168 OE2 GLU A 135 3.790 1.610 12.561 1.00 0.00 O ATOM 0 H GLU A 135 3.058 4.642 15.419 1.00 0.00 H new ATOM 0 HA GLU A 135 3.389 6.211 13.091 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.157 3.429 13.109 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.305 4.097 11.965 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.043 4.192 13.777 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.895 3.500 14.906 1.00 0.00 H new ATOM 2176 N MET A 136 0.313 5.242 13.694 1.00 0.00 N ATOM 2177 CA MET A 136 -1.088 5.490 13.312 1.00 0.00 C ATOM 2178 C MET A 136 -1.503 6.867 13.805 1.00 0.00 C ATOM 2179 O MET A 136 -2.040 7.662 13.059 1.00 0.00 O ATOM 2180 CB MET A 136 -1.947 4.411 13.950 1.00 0.00 C ATOM 2181 CG MET A 136 -1.345 3.042 13.621 1.00 0.00 C ATOM 2182 SD MET A 136 -1.064 2.919 11.838 1.00 0.00 S ATOM 2183 CE MET A 136 -2.720 3.405 11.297 1.00 0.00 C ATOM 0 H MET A 136 0.441 4.612 14.486 1.00 0.00 H new ATOM 0 HA MET A 136 -1.210 5.461 12.229 1.00 0.00 H new ATOM 0 HB2 MET A 136 -1.992 4.554 15.030 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.969 4.473 13.577 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.406 2.907 14.158 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.017 2.249 13.950 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.917 2.989 10.309 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.459 3.027 12.003 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.784 4.492 11.252 1.00 0.00 H new ATOM 2193 N LYS A 137 -1.223 7.183 15.040 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.578 8.536 15.526 1.00 0.00 C ATOM 2195 C LYS A 137 -0.951 9.519 14.555 1.00 0.00 C ATOM 2196 O LYS A 137 -1.483 10.576 14.288 1.00 0.00 O ATOM 2197 CB LYS A 137 -1.024 8.751 16.938 1.00 0.00 C ATOM 2198 CG LYS A 137 -1.968 8.094 17.949 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.183 7.217 18.915 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.377 8.086 19.878 1.00 0.00 C ATOM 2201 NZ LYS A 137 -0.039 9.385 19.227 1.00 0.00 N ATOM 0 H LYS A 137 -0.771 6.571 15.720 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.659 8.670 15.575 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -0.026 8.321 17.020 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -0.930 9.817 17.148 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -2.510 8.861 18.502 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.712 7.494 17.425 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -1.866 6.578 19.475 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.514 6.560 18.360 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -0.950 8.263 20.788 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.536 7.568 20.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 0.660 9.892 19.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 0.359 9.207 18.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -0.899 9.962 19.137 1.00 0.00 H new ATOM 2215 N ALA A 138 0.168 9.142 13.995 1.00 0.00 N ATOM 2216 CA ALA A 138 0.841 10.008 12.993 1.00 0.00 C ATOM 2217 C ALA A 138 0.135 9.838 11.648 1.00 0.00 C ATOM 2218 O ALA A 138 -0.227 10.798 10.995 1.00 0.00 O ATOM 2219 CB ALA A 138 2.296 9.586 12.830 1.00 0.00 C ATOM 0 H ALA A 138 0.646 8.263 14.193 1.00 0.00 H new ATOM 0 HA ALA A 138 0.798 11.045 13.327 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.780 10.227 12.093 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.811 9.679 13.786 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.339 8.550 12.494 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.054 8.610 11.233 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.726 8.349 9.929 1.00 0.00 C ATOM 2227 C ALA A 139 -2.069 9.060 9.930 1.00 0.00 C ATOM 2228 O ALA A 139 -2.397 9.807 9.029 1.00 0.00 O ATOM 2229 CB ALA A 139 -0.949 6.846 9.765 1.00 0.00 C ATOM 0 H ALA A 139 0.231 7.775 11.746 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.108 8.713 9.108 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.441 6.653 8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.011 6.331 9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.577 6.481 10.577 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.836 8.859 10.955 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.144 9.548 11.042 1.00 0.00 C ATOM 2237 C LEU A 140 -3.860 11.048 11.103 1.00 0.00 C ATOM 2238 O LEU A 140 -4.649 11.869 10.687 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.865 9.098 12.314 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.929 7.568 12.358 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.819 7.101 13.809 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.260 7.090 11.773 1.00 0.00 C ATOM 0 H LEU A 140 -2.614 8.246 11.739 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.775 9.313 10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.342 9.475 13.193 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.872 9.515 12.339 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.108 7.154 11.773 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -4.864 6.013 13.845 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -3.872 7.439 14.229 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.643 7.518 14.389 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.302 6.001 11.806 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.083 7.503 12.357 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.344 7.425 10.739 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.717 11.393 11.638 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.315 12.823 11.770 1.00 0.00 C ATOM 2256 C GLN A 141 -1.858 13.401 10.425 1.00 0.00 C ATOM 2257 O GLN A 141 -2.310 14.449 10.006 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.162 12.894 12.767 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.697 13.377 14.112 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.978 14.880 14.040 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -2.272 15.427 12.890 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -1.938 15.565 15.042 1.00 0.00 N flip ATOM 0 H GLN A 141 -2.032 10.728 11.996 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.170 13.407 12.110 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.698 11.914 12.876 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.391 13.573 12.403 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.609 12.838 14.367 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.973 13.169 14.899 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -1.709 15.141 15.941 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -2.134 16.564 14.985 1.00 0.00 H new ATOM 2271 N GLU A 142 -0.955 12.742 9.758 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.464 13.269 8.455 1.00 0.00 C ATOM 2273 C GLU A 142 -1.600 13.251 7.427 1.00 0.00 C ATOM 2274 O GLU A 142 -1.733 14.154 6.630 1.00 0.00 O ATOM 2275 CB GLU A 142 0.694 12.396 7.964 1.00 0.00 C ATOM 2276 CG GLU A 142 1.873 12.510 8.933 1.00 0.00 C ATOM 2277 CD GLU A 142 3.049 11.690 8.396 1.00 0.00 C ATOM 2278 OE1 GLU A 142 4.147 11.868 8.895 1.00 0.00 O ATOM 2279 OE2 GLU A 142 2.830 10.895 7.494 1.00 0.00 O ATOM 0 H GLU A 142 -0.535 11.862 10.058 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.119 14.295 8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.372 11.357 7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 142 1.000 12.709 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 142 2.165 13.554 9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 142 1.584 12.149 9.920 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.426 12.236 7.441 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.550 12.188 6.461 1.00 0.00 C ATOM 2289 C GLY A 143 -4.476 13.371 6.715 1.00 0.00 C ATOM 2290 O GLY A 143 -4.894 14.053 5.804 1.00 0.00 O ATOM 0 H GLY A 143 -2.371 11.445 8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.164 12.223 5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.098 11.251 6.562 1.00 0.00 H new ATOM 2294 N HIS A 144 -4.787 13.630 7.954 1.00 0.00 N ATOM 2295 CA HIS A 144 -5.671 14.784 8.263 1.00 0.00 C ATOM 2296 C HIS A 144 -4.976 16.064 7.807 1.00 0.00 C ATOM 2297 O HIS A 144 -5.584 16.949 7.242 1.00 0.00 O ATOM 2298 CB HIS A 144 -5.917 14.844 9.770 1.00 0.00 C ATOM 2299 CG HIS A 144 -6.846 15.983 10.087 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -8.210 16.047 10.246 1.00 0.00 N flip ATOM 2301 CD2 HIS A 144 -6.379 17.270 10.304 1.00 0.00 C flip ATOM 2302 CE1 HIS A 144 -8.577 17.352 10.558 1.00 0.00 C flip ATOM 2303 NE2 HIS A 144 -7.439 18.046 10.581 1.00 0.00 N flip ATOM 0 H HIS A 144 -4.468 13.095 8.762 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.626 14.675 7.748 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.347 13.904 10.116 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -4.972 14.975 10.298 1.00 0.00 H new ATOM 0 HD1 HIS A 144 -8.852 15.261 10.150 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -5.349 17.591 10.258 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -9.574 17.724 10.743 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.702 16.159 8.057 1.00 0.00 N ATOM 2313 CA GLN A 145 -2.944 17.374 7.653 1.00 0.00 C ATOM 2314 C GLN A 145 -3.094 17.621 6.146 1.00 0.00 C ATOM 2315 O GLN A 145 -3.309 18.734 5.709 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.460 17.157 7.973 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.689 18.457 7.752 1.00 0.00 C ATOM 2318 CD GLN A 145 -1.023 19.450 8.864 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -0.807 19.171 10.027 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.549 20.603 8.556 1.00 0.00 N ATOM 0 H GLN A 145 -3.149 15.442 8.527 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.334 18.235 8.195 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.345 16.826 9.005 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -1.053 16.369 7.339 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.383 18.258 7.739 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -0.946 18.883 6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -1.730 20.837 7.580 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -1.779 21.271 9.291 1.00 0.00 H new ATOM 2329 N PHE A 146 -2.958 16.598 5.346 1.00 0.00 N ATOM 2330 CA PHE A 146 -3.065 16.785 3.868 1.00 0.00 C ATOM 2331 C PHE A 146 -4.509 17.071 3.450 1.00 0.00 C ATOM 2332 O PHE A 146 -4.774 17.997 2.708 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.567 15.520 3.164 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.718 15.688 1.671 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.984 15.600 1.083 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.596 15.945 0.874 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -4.131 15.768 -0.298 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.743 16.117 -0.507 1.00 0.00 C ATOM 2339 CZ PHE A 146 -3.010 16.025 -1.093 1.00 0.00 C ATOM 0 H PHE A 146 -2.778 15.641 5.650 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.453 17.640 3.581 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.523 15.336 3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.135 14.654 3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.850 15.402 1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.617 16.011 1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -5.110 15.699 -0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.878 16.321 -1.121 1.00 0.00 H new ATOM 0 HZ PHE A 146 -3.122 16.153 -2.160 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.443 16.279 3.893 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.862 16.505 3.488 1.00 0.00 C ATOM 2351 C LEU A 147 -7.287 17.930 3.846 1.00 0.00 C ATOM 2352 O LEU A 147 -8.065 18.545 3.148 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.767 15.492 4.190 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.364 14.075 3.765 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.299 13.056 4.406 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.471 13.923 2.248 1.00 0.00 C ATOM 0 H LEU A 147 -5.289 15.486 4.516 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.952 16.373 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.681 15.598 5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.810 15.679 3.933 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.336 13.905 4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.007 12.051 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.237 13.137 5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.323 13.250 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.182 12.912 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.499 14.108 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.809 14.640 1.763 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.779 18.469 4.916 1.00 0.00 N ATOM 2369 CA CYS A 148 -7.152 19.861 5.288 1.00 0.00 C ATOM 2370 C CYS A 148 -6.517 20.835 4.289 1.00 0.00 C ATOM 2371 O CYS A 148 -6.818 22.012 4.271 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.642 20.169 6.697 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.562 19.170 7.898 1.00 0.00 S ATOM 0 H CYS A 148 -6.124 18.009 5.548 1.00 0.00 H new ATOM 0 HA CYS A 148 -8.237 19.968 5.267 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.576 19.952 6.766 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.766 21.229 6.918 1.00 0.00 H new ATOM 0 HG CYS A 148 -7.051 19.336 9.082 1.00 0.00 H new ATOM 2379 N SER A 149 -5.627 20.350 3.466 1.00 0.00 N ATOM 2380 CA SER A 149 -4.953 21.238 2.474 1.00 0.00 C ATOM 2381 C SER A 149 -5.727 21.249 1.153 1.00 0.00 C ATOM 2382 O SER A 149 -5.493 22.079 0.293 1.00 0.00 O ATOM 2383 CB SER A 149 -3.538 20.721 2.226 1.00 0.00 C ATOM 2384 OG SER A 149 -2.598 21.672 2.703 1.00 0.00 O ATOM 0 H SER A 149 -5.336 19.373 3.438 1.00 0.00 H new ATOM 0 HA SER A 149 -4.920 22.253 2.869 1.00 0.00 H new ATOM 0 HB2 SER A 149 -3.394 19.766 2.731 1.00 0.00 H new ATOM 0 HB3 SER A 149 -3.385 20.544 1.161 1.00 0.00 H new ATOM 0 HG SER A 149 -1.689 21.341 2.546 1.00 0.00 H new ATOM 2390 N ILE A 150 -6.641 20.340 0.975 1.00 0.00 N ATOM 2391 CA ILE A 150 -7.407 20.311 -0.289 1.00 0.00 C ATOM 2392 C ILE A 150 -8.505 21.370 -0.225 1.00 0.00 C ATOM 2393 O ILE A 150 -8.251 22.534 0.020 1.00 0.00 O ATOM 2394 CB ILE A 150 -8.027 18.921 -0.487 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -7.146 17.843 0.157 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -8.117 18.634 -1.983 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.879 16.499 0.104 1.00 0.00 C ATOM 0 H ILE A 150 -6.888 19.618 1.652 1.00 0.00 H new ATOM 0 HA ILE A 150 -6.745 20.522 -1.129 1.00 0.00 H new ATOM 0 HB ILE A 150 -9.014 18.905 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -6.193 17.773 -0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.922 18.108 1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -8.556 17.649 -2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -8.741 19.389 -2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -7.118 18.659 -2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -7.258 15.728 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.820 16.576 0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.081 16.235 -0.934 1.00 0.00 H new