USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=27 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 HD1:sc= -0.393 F(o=-4.2!,f=-0.55) USER MOD Set 1.2: A 148 CYS SG : rot 165:sc= -0.156 USER MOD Set 2.1: A 128 CYS SG : rot 180:sc= -1.16! USER MOD Set 2.2: A 137 LYS NZ :NH3+ 169:sc= -2.35! (180deg=-3.53!) USER MOD Set 3.1: A 86 ASN : amide:sc= -3.77! C(o=-3.9!,f=-14!) USER MOD Set 3.2: A 95 THR OG1 : rot 180:sc= -0.175 USER MOD Set 4.1: A 49 HIS :FLIP no HE2:sc= -2.15! C(o=-6.3!,f=-4.4!) USER MOD Set 4.2: A 94 LYS NZ :NH3+ -103:sc= -2.2! (180deg=-0.308) USER MOD Set 5.1: A 42 HIS :FLIP no HD1:sc= 0.382 F(o=-1.3,f=1.2) USER MOD Set 5.2: A 44 THR OG1 : rot -100:sc= 0.844 USER MOD Single : A 11 CYS SG : rot 27:sc= -0.476 USER MOD Single : A 35 GLN :FLIP amide:sc= -6.35! C(o=-7.3!,f=-6.3!) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -5.33! (180deg=-6.29!) USER MOD Single : A 59 THR OG1 : rot 97:sc= -2.44! USER MOD Single : A 64 THR OG1 : rot 81:sc= -6.6! USER MOD Single : A 65 GLN : amide:sc= -0.0303 K(o=-0.03,f=-3!) USER MOD Single : A 74 GLN : amide:sc= -2.02 X(o=-2,f=-2.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.13) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -2.59! USER MOD Single : A 104 LYS NZ :NH3+ -138:sc= -9.16! (180deg=-12.8!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 116 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-4.1!) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -7.12! C(o=-7.1!,f=-10!) USER MOD Single : A 132 GLN :FLIP amide:sc= -3.95! C(o=-5.9!,f=-4!) USER MOD Single : A 134 LYS NZ :NH3+ -167:sc= -0.0158 (180deg=-0.249) USER MOD Single : A 136 MET CE :methyl -147:sc= -0.648 (180deg=-2.99) USER MOD Single : A 141 GLN :FLIP amide:sc= -1.33 F(o=-5.2!,f=-1.3) USER MOD Single : A 145 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.16) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 7.340 -8.299 5.418 1.00 0.00 N ATOM 87 CA LEU A 8 6.042 -8.630 4.758 1.00 0.00 C ATOM 88 C LEU A 8 5.446 -7.373 4.122 1.00 0.00 C ATOM 89 O LEU A 8 5.438 -6.313 4.713 1.00 0.00 O ATOM 90 CB LEU A 8 5.047 -9.170 5.792 1.00 0.00 C ATOM 91 CG LEU A 8 5.788 -9.834 6.954 1.00 0.00 C ATOM 92 CD1 LEU A 8 6.528 -8.773 7.763 1.00 0.00 C ATOM 93 CD2 LEU A 8 4.775 -10.534 7.862 1.00 0.00 C ATOM 0 HA LEU A 8 6.227 -9.384 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.426 -8.357 6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.379 -9.890 5.320 1.00 0.00 H new ATOM 0 HG LEU A 8 6.501 -10.559 6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.055 -9.248 8.590 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.246 -8.261 7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.813 -8.050 8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.298 -11.009 8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.067 -9.801 8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.237 -11.291 7.291 1.00 0.00 H new ATOM 105 N ARG A 9 4.922 -7.490 2.934 1.00 0.00 N ATOM 106 CA ARG A 9 4.298 -6.306 2.280 1.00 0.00 C ATOM 107 C ARG A 9 2.850 -6.208 2.765 1.00 0.00 C ATOM 108 O ARG A 9 2.139 -7.191 2.807 1.00 0.00 O ATOM 109 CB ARG A 9 4.326 -6.487 0.758 1.00 0.00 C ATOM 110 CG ARG A 9 3.999 -5.158 0.074 1.00 0.00 C ATOM 111 CD ARG A 9 4.014 -5.348 -1.444 1.00 0.00 C ATOM 112 NE ARG A 9 3.855 -4.027 -2.113 1.00 0.00 N ATOM 113 CZ ARG A 9 4.904 -3.299 -2.382 1.00 0.00 C ATOM 114 NH1 ARG A 9 6.094 -3.723 -2.053 1.00 0.00 N ATOM 115 NH2 ARG A 9 4.765 -2.148 -2.976 1.00 0.00 N ATOM 0 H ARG A 9 4.899 -8.352 2.389 1.00 0.00 H new ATOM 0 HA ARG A 9 4.843 -5.397 2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.309 -6.838 0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.605 -7.248 0.459 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.021 -4.802 0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.726 -4.399 0.363 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.950 -5.814 -1.753 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.209 -6.019 -1.745 1.00 0.00 H new ATOM 0 HE ARG A 9 2.925 -3.691 -2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.204 -4.623 -1.586 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.914 -3.154 -2.263 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.835 -1.815 -3.231 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.586 -1.580 -3.186 1.00 0.00 H new ATOM 129 N ALA A 10 2.403 -5.041 3.145 1.00 0.00 N ATOM 130 CA ALA A 10 1.002 -4.922 3.638 1.00 0.00 C ATOM 131 C ALA A 10 0.378 -3.615 3.157 1.00 0.00 C ATOM 132 O ALA A 10 1.063 -2.654 2.868 1.00 0.00 O ATOM 133 CB ALA A 10 0.997 -4.936 5.165 1.00 0.00 C ATOM 0 H ALA A 10 2.941 -4.174 3.136 1.00 0.00 H new ATOM 0 HA ALA A 10 0.424 -5.761 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.028 -4.849 5.526 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.429 -5.871 5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.586 -4.098 5.538 1.00 0.00 H new ATOM 139 N CYS A 11 -0.922 -3.570 3.084 1.00 0.00 N ATOM 140 CA CYS A 11 -1.598 -2.327 2.638 1.00 0.00 C ATOM 141 C CYS A 11 -2.924 -2.180 3.385 1.00 0.00 C ATOM 142 O CYS A 11 -3.771 -3.049 3.346 1.00 0.00 O ATOM 143 CB CYS A 11 -1.868 -2.404 1.134 1.00 0.00 C ATOM 144 SG CYS A 11 -0.441 -1.750 0.233 1.00 0.00 S ATOM 0 H CYS A 11 -1.545 -4.344 3.315 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.960 -1.468 2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.056 -3.436 0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.762 -1.833 0.884 1.00 0.00 H new ATOM 0 HG CYS A 11 0.632 -1.900 0.952 1.00 0.00 H new ATOM 150 N GLY A 12 -3.112 -1.080 4.056 1.00 0.00 N ATOM 151 CA GLY A 12 -4.387 -0.864 4.797 1.00 0.00 C ATOM 152 C GLY A 12 -5.036 0.417 4.281 1.00 0.00 C ATOM 153 O GLY A 12 -4.454 1.134 3.493 1.00 0.00 O ATOM 0 H GLY A 12 -2.437 -0.318 4.124 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.057 -1.712 4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.195 -0.787 5.867 1.00 0.00 H new ATOM 157 N LEU A 13 -6.236 0.715 4.701 1.00 0.00 N ATOM 158 CA LEU A 13 -6.893 1.954 4.199 1.00 0.00 C ATOM 159 C LEU A 13 -7.235 2.894 5.355 1.00 0.00 C ATOM 160 O LEU A 13 -8.058 2.584 6.195 1.00 0.00 O ATOM 161 CB LEU A 13 -8.200 1.589 3.478 1.00 0.00 C ATOM 162 CG LEU A 13 -8.097 1.914 1.985 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.470 1.761 1.328 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.612 3.350 1.796 1.00 0.00 C ATOM 0 H LEU A 13 -6.783 0.162 5.361 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.202 2.450 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.412 0.528 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.032 2.138 3.919 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.388 1.226 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.393 1.993 0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.820 0.736 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.177 2.445 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.541 3.573 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.317 4.037 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.631 3.466 2.257 1.00 0.00 H new ATOM 176 N ILE A 14 -6.663 4.068 5.371 1.00 0.00 N ATOM 177 CA ILE A 14 -7.031 5.037 6.434 1.00 0.00 C ATOM 178 C ILE A 14 -8.289 5.734 5.941 1.00 0.00 C ATOM 179 O ILE A 14 -8.251 6.623 5.115 1.00 0.00 O ATOM 180 CB ILE A 14 -5.902 6.043 6.671 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.738 5.331 7.364 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.407 7.178 7.566 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.541 6.276 7.474 1.00 0.00 C ATOM 0 H ILE A 14 -5.965 4.392 4.701 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.201 4.538 7.388 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.571 6.455 5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.043 4.999 8.356 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.459 4.440 6.802 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.603 7.894 7.734 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.244 7.680 7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.735 6.769 8.522 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.716 5.763 7.968 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.230 6.586 6.477 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.823 7.154 8.056 1.00 0.00 H new ATOM 195 N ILE A 15 -9.408 5.279 6.407 1.00 0.00 N ATOM 196 CA ILE A 15 -10.704 5.830 5.949 1.00 0.00 C ATOM 197 C ILE A 15 -11.102 7.037 6.786 1.00 0.00 C ATOM 198 O ILE A 15 -10.944 7.052 7.988 1.00 0.00 O ATOM 199 CB ILE A 15 -11.734 4.717 6.104 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.333 3.553 5.199 1.00 0.00 C ATOM 201 CG2 ILE A 15 -13.130 5.207 5.733 1.00 0.00 C ATOM 202 CD1 ILE A 15 -12.072 2.286 5.622 1.00 0.00 C ATOM 0 H ILE A 15 -9.482 4.534 7.100 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.637 6.163 4.913 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.759 4.395 7.145 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.566 3.791 4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.256 3.392 5.255 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.845 4.393 5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.410 6.035 6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.134 5.544 4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.781 1.461 4.972 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.817 2.043 6.653 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.147 2.448 5.543 1.00 0.00 H new ATOM 214 N PHE A 16 -11.624 8.051 6.150 1.00 0.00 N ATOM 215 CA PHE A 16 -12.044 9.261 6.898 1.00 0.00 C ATOM 216 C PHE A 16 -13.398 9.736 6.375 1.00 0.00 C ATOM 217 O PHE A 16 -13.549 10.039 5.211 1.00 0.00 O ATOM 218 CB PHE A 16 -11.006 10.366 6.698 1.00 0.00 C ATOM 219 CG PHE A 16 -11.037 10.848 5.268 1.00 0.00 C ATOM 220 CD1 PHE A 16 -11.888 11.899 4.903 1.00 0.00 C ATOM 221 CD2 PHE A 16 -10.211 10.250 4.308 1.00 0.00 C ATOM 222 CE1 PHE A 16 -11.910 12.352 3.579 1.00 0.00 C ATOM 223 CE2 PHE A 16 -10.232 10.703 2.985 1.00 0.00 C ATOM 224 CZ PHE A 16 -11.083 11.755 2.619 1.00 0.00 C ATOM 0 H PHE A 16 -11.776 8.090 5.142 1.00 0.00 H new ATOM 0 HA PHE A 16 -12.126 9.025 7.959 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -11.210 11.196 7.375 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -10.012 9.992 6.943 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -12.526 12.359 5.643 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.557 9.438 4.590 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -12.565 13.163 3.297 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.593 10.243 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 16 -11.101 12.105 1.597 1.00 0.00 H new ATOM 234 N ARG A 17 -14.385 9.817 7.224 1.00 0.00 N ATOM 235 CA ARG A 17 -15.716 10.286 6.754 1.00 0.00 C ATOM 236 C ARG A 17 -15.780 11.809 6.863 1.00 0.00 C ATOM 237 O ARG A 17 -15.716 12.364 7.943 1.00 0.00 O ATOM 238 CB ARG A 17 -16.822 9.674 7.614 1.00 0.00 C ATOM 239 CG ARG A 17 -18.177 10.024 6.999 1.00 0.00 C ATOM 240 CD ARG A 17 -19.305 9.475 7.872 1.00 0.00 C ATOM 241 NE ARG A 17 -19.430 10.301 9.107 1.00 0.00 N ATOM 242 CZ ARG A 17 -18.805 9.953 10.198 1.00 0.00 C ATOM 243 NH1 ARG A 17 -18.056 8.885 10.213 1.00 0.00 N ATOM 244 NH2 ARG A 17 -18.928 10.678 11.277 1.00 0.00 N ATOM 0 H ARG A 17 -14.328 9.581 8.215 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.857 9.979 5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.701 8.592 7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.761 10.054 8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -18.274 11.105 6.903 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.248 9.607 5.994 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -20.244 9.485 7.319 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -19.102 8.437 8.136 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.007 11.142 9.099 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.958 8.319 9.370 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.569 8.616 11.068 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.512 11.514 11.266 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.440 10.408 12.131 1.00 0.00 H new ATOM 258 N ARG A 18 -15.909 12.491 5.760 1.00 0.00 N ATOM 259 CA ARG A 18 -15.982 13.976 5.815 1.00 0.00 C ATOM 260 C ARG A 18 -17.442 14.405 5.959 1.00 0.00 C ATOM 261 O ARG A 18 -18.324 13.875 5.311 1.00 0.00 O ATOM 262 CB ARG A 18 -15.383 14.566 4.536 1.00 0.00 C ATOM 263 CG ARG A 18 -15.341 16.090 4.649 1.00 0.00 C ATOM 264 CD ARG A 18 -14.378 16.651 3.600 1.00 0.00 C ATOM 265 NE ARG A 18 -14.827 16.241 2.240 1.00 0.00 N ATOM 266 CZ ARG A 18 -14.122 16.576 1.193 1.00 0.00 C ATOM 267 NH1 ARG A 18 -13.029 17.273 1.341 1.00 0.00 N ATOM 268 NH2 ARG A 18 -14.507 16.210 0.002 1.00 0.00 N ATOM 0 H ARG A 18 -15.967 12.086 4.826 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.416 14.341 6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.378 14.175 4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.979 14.271 3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.338 16.504 4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.019 16.383 5.648 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.341 17.738 3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.368 16.286 3.786 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.684 15.699 2.127 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.726 17.555 2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.477 17.536 0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.359 15.662 -0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.956 16.472 -0.815 1.00 0.00 H new ATOM 434 N ILE A 29 -13.884 15.685 10.713 1.00 0.00 N ATOM 435 CA ILE A 29 -13.567 14.413 10.008 1.00 0.00 C ATOM 436 C ILE A 29 -13.317 13.289 11.012 1.00 0.00 C ATOM 437 O ILE A 29 -12.673 13.471 12.026 1.00 0.00 O ATOM 438 CB ILE A 29 -12.322 14.614 9.145 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.694 15.434 7.908 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.766 13.257 8.717 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.446 16.121 7.350 1.00 0.00 C ATOM 0 HA ILE A 29 -14.415 14.136 9.381 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.562 15.144 9.719 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.134 14.787 7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.446 16.179 8.167 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.878 13.405 8.102 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.502 12.677 9.601 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.520 12.720 8.142 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.715 16.704 6.469 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.025 16.782 8.108 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.708 15.367 7.075 1.00 0.00 H new ATOM 453 N GLU A 30 -13.820 12.123 10.720 1.00 0.00 N ATOM 454 CA GLU A 30 -13.619 10.958 11.629 1.00 0.00 C ATOM 455 C GLU A 30 -12.997 9.820 10.823 1.00 0.00 C ATOM 456 O GLU A 30 -13.089 9.799 9.612 1.00 0.00 O ATOM 457 CB GLU A 30 -14.967 10.510 12.196 1.00 0.00 C ATOM 458 CG GLU A 30 -15.621 11.676 12.943 1.00 0.00 C ATOM 459 CD GLU A 30 -16.924 11.200 13.589 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.512 11.973 14.326 1.00 0.00 O ATOM 461 OE2 GLU A 30 -17.306 10.068 13.339 1.00 0.00 O ATOM 0 H GLU A 30 -14.367 11.924 9.883 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.963 11.235 12.455 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.617 10.170 11.390 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.827 9.665 12.870 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.943 12.059 13.706 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.822 12.496 12.254 1.00 0.00 H new ATOM 469 N PHE A 31 -12.354 8.884 11.467 1.00 0.00 N ATOM 470 CA PHE A 31 -11.718 7.769 10.707 1.00 0.00 C ATOM 471 C PHE A 31 -12.331 6.427 11.111 1.00 0.00 C ATOM 472 O PHE A 31 -12.808 6.255 12.215 1.00 0.00 O ATOM 473 CB PHE A 31 -10.215 7.746 11.000 1.00 0.00 C ATOM 474 CG PHE A 31 -9.599 9.069 10.611 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.171 9.287 9.294 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.445 10.076 11.571 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.596 10.513 8.939 1.00 0.00 C ATOM 478 CE2 PHE A 31 -8.872 11.303 11.213 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.445 11.519 9.899 1.00 0.00 C ATOM 0 H PHE A 31 -12.242 8.842 12.480 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.888 7.929 9.642 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.044 7.552 12.059 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.739 6.936 10.447 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.285 8.509 8.553 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.768 9.907 12.588 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.269 10.682 7.924 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.760 12.083 11.952 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.998 12.463 9.625 1.00 0.00 H new ATOM 489 N LEU A 32 -12.301 5.467 10.223 1.00 0.00 N ATOM 490 CA LEU A 32 -12.862 4.125 10.550 1.00 0.00 C ATOM 491 C LEU A 32 -11.793 3.310 11.275 1.00 0.00 C ATOM 492 O LEU A 32 -10.680 3.174 10.807 1.00 0.00 O ATOM 493 CB LEU A 32 -13.270 3.395 9.262 1.00 0.00 C ATOM 494 CG LEU A 32 -13.664 1.952 9.587 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.799 1.945 10.609 1.00 0.00 C ATOM 496 CD2 LEU A 32 -14.130 1.251 8.310 1.00 0.00 C ATOM 0 H LEU A 32 -11.911 5.556 9.285 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.741 4.243 11.183 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.105 3.912 8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.444 3.405 8.550 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.802 1.428 10.000 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.076 0.916 10.838 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.470 2.443 11.521 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.661 2.471 10.199 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.411 0.223 8.541 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.991 1.779 7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.321 1.251 7.579 1.00 0.00 H new ATOM 508 N LEU A 33 -12.122 2.771 12.411 1.00 0.00 N ATOM 509 CA LEU A 33 -11.128 1.966 13.170 1.00 0.00 C ATOM 510 C LEU A 33 -11.707 0.586 13.470 1.00 0.00 C ATOM 511 O LEU A 33 -12.839 0.455 13.889 1.00 0.00 O ATOM 512 CB LEU A 33 -10.789 2.679 14.480 1.00 0.00 C ATOM 513 CG LEU A 33 -9.681 3.703 14.229 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.651 4.717 15.373 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.334 2.981 14.159 1.00 0.00 C ATOM 0 H LEU A 33 -13.039 2.853 12.849 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.222 1.853 12.575 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.675 3.175 14.877 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.467 1.955 15.228 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.871 4.222 13.289 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.861 5.446 15.193 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.611 5.229 15.430 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.459 4.199 16.313 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.541 3.707 13.980 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.148 2.465 15.101 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.352 2.256 13.346 1.00 0.00 H new ATOM 527 N LEU A 34 -10.936 -0.441 13.256 1.00 0.00 N ATOM 528 CA LEU A 34 -11.429 -1.817 13.527 1.00 0.00 C ATOM 529 C LEU A 34 -10.736 -2.362 14.775 1.00 0.00 C ATOM 530 O LEU A 34 -9.563 -2.134 14.991 1.00 0.00 O ATOM 531 CB LEU A 34 -11.113 -2.709 12.324 1.00 0.00 C ATOM 532 CG LEU A 34 -11.646 -2.044 11.050 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.410 -2.964 9.854 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.144 -1.784 11.198 1.00 0.00 C ATOM 0 H LEU A 34 -9.981 -0.386 12.903 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.506 -1.802 13.692 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.037 -2.865 12.244 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.569 -3.691 12.454 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.125 -1.100 10.892 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.790 -2.489 8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.342 -3.152 9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.930 -3.909 10.014 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.522 -1.311 10.292 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.663 -2.729 11.358 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.317 -1.126 12.050 1.00 0.00 H new ATOM 546 N GLN A 35 -11.449 -3.076 15.602 1.00 0.00 N ATOM 547 CA GLN A 35 -10.823 -3.628 16.838 1.00 0.00 C ATOM 548 C GLN A 35 -10.337 -5.051 16.574 1.00 0.00 C ATOM 549 O GLN A 35 -11.102 -5.922 16.215 1.00 0.00 O ATOM 550 CB GLN A 35 -11.853 -3.648 17.969 1.00 0.00 C ATOM 551 CG GLN A 35 -11.222 -4.245 19.232 1.00 0.00 C ATOM 552 CD GLN A 35 -10.152 -3.294 19.767 1.00 0.00 C ATOM 553 OE1 GLN A 35 -8.899 -3.510 19.475 1.00 0.00 O flip ATOM 554 NE2 GLN A 35 -10.459 -2.343 20.456 1.00 0.00 N flip ATOM 0 H GLN A 35 -12.436 -3.301 15.476 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.978 -3.001 17.124 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.206 -2.637 18.170 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.722 -4.236 17.672 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.988 -4.411 19.990 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.781 -5.216 19.007 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.439 -2.174 20.684 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.737 -1.713 20.806 1.00 0.00 H new ATOM 641 N HIS A 42 -5.637 -3.494 20.118 1.00 0.00 N ATOM 642 CA HIS A 42 -5.300 -2.150 19.566 1.00 0.00 C ATOM 643 C HIS A 42 -6.239 -1.837 18.401 1.00 0.00 C ATOM 644 O HIS A 42 -6.803 -2.727 17.794 1.00 0.00 O ATOM 645 CB HIS A 42 -3.853 -2.144 19.070 1.00 0.00 C ATOM 646 CG HIS A 42 -3.718 -3.081 17.904 1.00 0.00 C ATOM 647 ND1 HIS A 42 -3.709 -2.862 16.547 1.00 0.00 N flip ATOM 648 CD2 HIS A 42 -3.566 -4.451 18.066 1.00 0.00 C flip ATOM 649 CE1 HIS A 42 -3.557 -4.073 15.882 1.00 0.00 C flip ATOM 650 NE2 HIS A 42 -3.474 -4.999 16.838 1.00 0.00 N flip ATOM 0 HA HIS A 42 -5.415 -1.397 20.345 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.563 -1.136 18.775 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.181 -2.447 19.873 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.528 -4.982 19.006 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.515 -4.231 14.814 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.356 -5.997 16.662 1.00 0.00 H new ATOM 659 N TRP A 43 -6.415 -0.586 18.085 1.00 0.00 N ATOM 660 CA TRP A 43 -7.322 -0.226 16.959 1.00 0.00 C ATOM 661 C TRP A 43 -6.487 0.129 15.725 1.00 0.00 C ATOM 662 O TRP A 43 -5.512 0.851 15.811 1.00 0.00 O ATOM 663 CB TRP A 43 -8.168 0.980 17.358 1.00 0.00 C ATOM 664 CG TRP A 43 -9.007 0.636 18.547 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.561 0.589 19.824 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.423 0.294 18.596 1.00 0.00 C ATOM 667 NE1 TRP A 43 -9.612 0.245 20.653 1.00 0.00 N ATOM 668 CE2 TRP A 43 -10.780 0.050 19.943 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.420 0.171 17.615 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.081 -0.299 20.303 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -12.731 -0.181 17.972 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.061 -0.416 19.315 1.00 0.00 C ATOM 0 H TRP A 43 -5.971 0.203 18.556 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.971 -1.071 16.730 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.523 1.828 17.589 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.805 1.281 16.526 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.549 0.788 20.143 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.534 0.147 21.665 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.176 0.349 16.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.329 -0.478 21.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.490 -0.271 17.209 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.071 -0.687 19.584 1.00 0.00 H new ATOM 683 N THR A 44 -6.860 -0.366 14.575 1.00 0.00 N ATOM 684 CA THR A 44 -6.082 -0.045 13.345 1.00 0.00 C ATOM 685 C THR A 44 -6.987 -0.171 12.115 1.00 0.00 C ATOM 686 O THR A 44 -8.011 -0.823 12.158 1.00 0.00 O ATOM 687 CB THR A 44 -4.908 -1.018 13.216 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.066 -2.073 14.154 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.596 -0.280 13.488 1.00 0.00 C ATOM 0 H THR A 44 -7.666 -0.976 14.435 1.00 0.00 H new ATOM 0 HA THR A 44 -5.704 0.975 13.412 1.00 0.00 H new ATOM 0 HB THR A 44 -4.885 -1.429 12.207 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.505 -1.900 14.939 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.762 -0.975 13.396 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.477 0.528 12.766 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.614 0.134 14.496 1.00 0.00 H new ATOM 697 N PRO A 45 -6.610 0.446 11.020 1.00 0.00 N ATOM 698 CA PRO A 45 -7.397 0.392 9.757 1.00 0.00 C ATOM 699 C PRO A 45 -7.313 -0.984 9.085 1.00 0.00 C ATOM 700 O PRO A 45 -6.399 -1.745 9.328 1.00 0.00 O ATOM 701 CB PRO A 45 -6.758 1.456 8.852 1.00 0.00 C ATOM 702 CG PRO A 45 -5.727 2.161 9.676 1.00 0.00 C ATOM 703 CD PRO A 45 -5.399 1.257 10.860 1.00 0.00 C ATOM 0 HA PRO A 45 -8.455 0.570 9.947 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.303 0.995 7.975 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.510 2.158 8.490 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.833 2.360 9.085 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.103 3.124 10.020 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.525 0.637 10.661 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.182 1.835 11.758 1.00 0.00 H new ATOM 711 N PRO A 46 -8.261 -1.293 8.239 1.00 0.00 N ATOM 712 CA PRO A 46 -8.298 -2.592 7.511 1.00 0.00 C ATOM 713 C PRO A 46 -6.925 -2.991 6.963 1.00 0.00 C ATOM 714 O PRO A 46 -6.596 -2.706 5.830 1.00 0.00 O ATOM 715 CB PRO A 46 -9.269 -2.328 6.360 1.00 0.00 C ATOM 716 CG PRO A 46 -10.173 -1.238 6.836 1.00 0.00 C ATOM 717 CD PRO A 46 -9.401 -0.434 7.883 1.00 0.00 C ATOM 0 HA PRO A 46 -8.598 -3.413 8.162 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.735 -2.028 5.458 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.835 -3.226 6.112 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.475 -0.599 6.006 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.084 -1.654 7.266 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.067 0.523 7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -10.021 -0.216 8.753 1.00 0.00 H new ATOM 725 N LYS A 47 -6.121 -3.650 7.754 1.00 0.00 N ATOM 726 CA LYS A 47 -4.771 -4.062 7.269 1.00 0.00 C ATOM 727 C LYS A 47 -4.827 -5.471 6.676 1.00 0.00 C ATOM 728 O LYS A 47 -5.476 -6.355 7.199 1.00 0.00 O ATOM 729 CB LYS A 47 -3.778 -4.052 8.433 1.00 0.00 C ATOM 730 CG LYS A 47 -3.300 -2.624 8.694 1.00 0.00 C ATOM 731 CD LYS A 47 -2.366 -2.615 9.905 1.00 0.00 C ATOM 732 CE LYS A 47 -1.183 -3.551 9.652 1.00 0.00 C ATOM 733 NZ LYS A 47 -0.831 -3.538 8.204 1.00 0.00 N ATOM 0 H LYS A 47 -6.340 -3.920 8.713 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.449 -3.359 6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.249 -4.457 9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.927 -4.694 8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.781 -2.236 7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.153 -1.970 8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.007 -1.603 10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.908 -2.931 10.796 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.325 -3.237 10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.435 -4.564 9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.123 -3.931 8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.517 -4.114 7.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.854 -2.560 7.850 1.00 0.00 H new ATOM 747 N GLY A 48 -4.137 -5.683 5.589 1.00 0.00 N ATOM 748 CA GLY A 48 -4.124 -7.031 4.952 1.00 0.00 C ATOM 749 C GLY A 48 -2.789 -7.227 4.230 1.00 0.00 C ATOM 750 O GLY A 48 -1.954 -6.345 4.204 1.00 0.00 O ATOM 0 H GLY A 48 -3.578 -4.976 5.112 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.261 -7.805 5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.950 -7.123 4.247 1.00 0.00 H new ATOM 754 N HIS A 49 -2.581 -8.371 3.641 1.00 0.00 N ATOM 755 CA HIS A 49 -1.299 -8.616 2.917 1.00 0.00 C ATOM 756 C HIS A 49 -1.553 -8.553 1.411 1.00 0.00 C ATOM 757 O HIS A 49 -2.554 -9.035 0.921 1.00 0.00 O ATOM 758 CB HIS A 49 -0.754 -9.995 3.288 1.00 0.00 C ATOM 759 CG HIS A 49 -0.195 -9.959 4.684 1.00 0.00 C ATOM 760 ND1 HIS A 49 -0.771 -10.190 5.910 1.00 0.00 N flip ATOM 761 CD2 HIS A 49 1.133 -9.650 4.941 1.00 0.00 C flip ATOM 762 CE1 HIS A 49 0.185 -10.027 6.908 1.00 0.00 C flip ATOM 763 NE2 HIS A 49 1.312 -9.704 6.274 1.00 0.00 N flip ATOM 0 H HIS A 49 -3.242 -9.148 3.629 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.570 -7.856 3.198 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.547 -10.740 3.222 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.022 -10.292 2.582 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -1.747 -10.442 6.064 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.886 -9.410 4.205 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.043 -10.139 7.973 1.00 0.00 H new ATOM 772 N VAL A 50 -0.656 -7.959 0.669 1.00 0.00 N ATOM 773 CA VAL A 50 -0.863 -7.864 -0.803 1.00 0.00 C ATOM 774 C VAL A 50 -0.221 -9.067 -1.500 1.00 0.00 C ATOM 775 O VAL A 50 0.887 -9.465 -1.197 1.00 0.00 O ATOM 776 CB VAL A 50 -0.247 -6.561 -1.329 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.539 -5.870 -0.218 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.686 -6.857 -2.506 1.00 0.00 C ATOM 0 H VAL A 50 0.206 -7.538 1.017 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.932 -7.864 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.051 -5.905 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.973 -4.946 -0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.129 -5.641 0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.335 -6.529 0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.118 -5.925 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.484 -7.523 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.121 -7.334 -3.307 1.00 0.00 H new ATOM 788 N GLU A 51 -0.920 -9.642 -2.437 1.00 0.00 N ATOM 789 CA GLU A 51 -0.386 -10.817 -3.183 1.00 0.00 C ATOM 790 C GLU A 51 0.751 -10.342 -4.103 1.00 0.00 C ATOM 791 O GLU A 51 1.144 -9.195 -4.054 1.00 0.00 O ATOM 792 CB GLU A 51 -1.530 -11.424 -4.002 1.00 0.00 C ATOM 793 CG GLU A 51 -1.741 -12.896 -3.629 1.00 0.00 C ATOM 794 CD GLU A 51 -2.800 -12.993 -2.527 1.00 0.00 C ATOM 795 OE1 GLU A 51 -2.597 -12.395 -1.483 1.00 0.00 O ATOM 796 OE2 GLU A 51 -3.795 -13.663 -2.750 1.00 0.00 O ATOM 0 H GLU A 51 -1.853 -9.344 -2.723 1.00 0.00 H new ATOM 0 HA GLU A 51 0.007 -11.572 -2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.448 -10.864 -3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.306 -11.342 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.058 -13.463 -4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.803 -13.334 -3.288 1.00 0.00 H new ATOM 804 N PRO A 52 1.297 -11.209 -4.923 1.00 0.00 N ATOM 805 CA PRO A 52 2.420 -10.838 -5.835 1.00 0.00 C ATOM 806 C PRO A 52 1.960 -9.949 -6.994 1.00 0.00 C ATOM 807 O PRO A 52 2.283 -8.778 -7.056 1.00 0.00 O ATOM 808 CB PRO A 52 2.932 -12.181 -6.357 1.00 0.00 C ATOM 809 CG PRO A 52 1.786 -13.127 -6.229 1.00 0.00 C ATOM 810 CD PRO A 52 0.912 -12.622 -5.079 1.00 0.00 C ATOM 0 HA PRO A 52 3.183 -10.257 -5.317 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.258 -12.099 -7.394 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.790 -12.525 -5.779 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.215 -13.169 -7.157 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.141 -14.138 -6.028 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.148 -12.722 -5.311 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.093 -13.187 -4.164 1.00 0.00 H new ATOM 818 N GLY A 53 1.204 -10.490 -7.908 1.00 0.00 N ATOM 819 CA GLY A 53 0.722 -9.669 -9.056 1.00 0.00 C ATOM 820 C GLY A 53 -0.478 -8.837 -8.603 1.00 0.00 C ATOM 821 O GLY A 53 -1.216 -8.303 -9.407 1.00 0.00 O ATOM 0 H GLY A 53 0.899 -11.463 -7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.519 -9.017 -9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.440 -10.314 -9.888 1.00 0.00 H new ATOM 825 N GLU A 54 -0.679 -8.726 -7.319 1.00 0.00 N ATOM 826 CA GLU A 54 -1.835 -7.937 -6.806 1.00 0.00 C ATOM 827 C GLU A 54 -1.461 -6.456 -6.740 1.00 0.00 C ATOM 828 O GLU A 54 -0.316 -6.102 -6.543 1.00 0.00 O ATOM 829 CB GLU A 54 -2.206 -8.426 -5.407 1.00 0.00 C ATOM 830 CG GLU A 54 -3.500 -7.752 -4.961 1.00 0.00 C ATOM 831 CD GLU A 54 -3.827 -8.157 -3.522 1.00 0.00 C ATOM 832 OE1 GLU A 54 -3.029 -8.861 -2.929 1.00 0.00 O ATOM 833 OE2 GLU A 54 -4.876 -7.760 -3.040 1.00 0.00 O ATOM 0 H GLU A 54 -0.091 -9.149 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.684 -8.067 -7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.329 -9.509 -5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.404 -8.198 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.399 -6.669 -5.029 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.317 -8.038 -5.623 1.00 0.00 H new ATOM 841 N ASP A 55 -2.422 -5.585 -6.908 1.00 0.00 N ATOM 842 CA ASP A 55 -2.125 -4.126 -6.859 1.00 0.00 C ATOM 843 C ASP A 55 -1.828 -3.702 -5.426 1.00 0.00 C ATOM 844 O ASP A 55 -2.155 -4.388 -4.477 1.00 0.00 O ATOM 845 CB ASP A 55 -3.330 -3.332 -7.337 1.00 0.00 C ATOM 846 CG ASP A 55 -2.906 -1.895 -7.643 1.00 0.00 C ATOM 847 OD1 ASP A 55 -3.776 -1.096 -7.946 1.00 0.00 O ATOM 848 OD2 ASP A 55 -1.721 -1.617 -7.560 1.00 0.00 O ATOM 0 H ASP A 55 -3.399 -5.823 -7.077 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.264 -3.933 -7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.753 -3.795 -8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.109 -3.338 -6.574 1.00 0.00 H new ATOM 854 N ASP A 56 -1.229 -2.559 -5.269 1.00 0.00 N ATOM 855 CA ASP A 56 -0.922 -2.053 -3.900 1.00 0.00 C ATOM 856 C ASP A 56 -2.207 -1.514 -3.263 1.00 0.00 C ATOM 857 O ASP A 56 -2.687 -2.032 -2.274 1.00 0.00 O ATOM 858 CB ASP A 56 0.108 -0.928 -3.991 1.00 0.00 C ATOM 859 CG ASP A 56 1.408 -1.475 -4.585 1.00 0.00 C ATOM 860 OD1 ASP A 56 1.527 -2.684 -4.681 1.00 0.00 O ATOM 861 OD2 ASP A 56 2.259 -0.674 -4.932 1.00 0.00 O ATOM 0 H ASP A 56 -0.936 -1.948 -6.031 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.521 -2.864 -3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.276 -0.118 -4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.295 -0.510 -3.002 1.00 0.00 H new ATOM 867 N LEU A 57 -2.766 -0.476 -3.830 1.00 0.00 N ATOM 868 CA LEU A 57 -4.023 0.102 -3.271 1.00 0.00 C ATOM 869 C LEU A 57 -5.145 -0.936 -3.349 1.00 0.00 C ATOM 870 O LEU A 57 -5.920 -1.096 -2.427 1.00 0.00 O ATOM 871 CB LEU A 57 -4.413 1.347 -4.082 1.00 0.00 C ATOM 872 CG LEU A 57 -5.759 1.899 -3.597 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.637 2.386 -2.151 1.00 0.00 C ATOM 874 CD2 LEU A 57 -6.174 3.073 -4.487 1.00 0.00 C ATOM 0 H LEU A 57 -2.404 -0.003 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.865 0.381 -2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.642 2.111 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.476 1.095 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.507 1.108 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.598 2.776 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.340 1.555 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.886 3.174 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.131 3.468 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.418 3.856 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.270 2.732 -5.518 1.00 0.00 H new ATOM 886 N GLU A 58 -5.235 -1.644 -4.441 1.00 0.00 N ATOM 887 CA GLU A 58 -6.307 -2.672 -4.578 1.00 0.00 C ATOM 888 C GLU A 58 -6.271 -3.583 -3.353 1.00 0.00 C ATOM 889 O GLU A 58 -7.295 -3.940 -2.805 1.00 0.00 O ATOM 890 CB GLU A 58 -6.043 -3.493 -5.841 1.00 0.00 C ATOM 891 CG GLU A 58 -7.236 -4.372 -6.167 1.00 0.00 C ATOM 892 CD GLU A 58 -6.909 -5.236 -7.385 1.00 0.00 C ATOM 893 OE1 GLU A 58 -7.771 -5.993 -7.799 1.00 0.00 O ATOM 894 OE2 GLU A 58 -5.802 -5.124 -7.888 1.00 0.00 O ATOM 0 H GLU A 58 -4.613 -1.556 -5.245 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.285 -2.197 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.837 -2.826 -6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.157 -4.112 -5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.481 -5.004 -5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.112 -3.756 -6.369 1.00 0.00 H new ATOM 902 N THR A 59 -5.101 -3.942 -2.896 1.00 0.00 N ATOM 903 CA THR A 59 -5.022 -4.802 -1.685 1.00 0.00 C ATOM 904 C THR A 59 -5.693 -4.060 -0.531 1.00 0.00 C ATOM 905 O THR A 59 -6.450 -4.627 0.231 1.00 0.00 O ATOM 906 CB THR A 59 -3.557 -5.089 -1.351 1.00 0.00 C ATOM 907 OG1 THR A 59 -2.976 -5.823 -2.419 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.465 -5.896 -0.052 1.00 0.00 C ATOM 0 H THR A 59 -4.205 -3.679 -3.306 1.00 0.00 H new ATOM 0 HA THR A 59 -5.527 -5.753 -1.858 1.00 0.00 H new ATOM 0 HB THR A 59 -3.021 -4.150 -1.217 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.495 -5.210 -3.014 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.419 -6.096 0.179 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.914 -5.327 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.997 -6.840 -0.172 1.00 0.00 H new ATOM 916 N ALA A 60 -5.443 -2.784 -0.420 1.00 0.00 N ATOM 917 CA ALA A 60 -6.094 -1.998 0.661 1.00 0.00 C ATOM 918 C ALA A 60 -7.595 -1.969 0.378 1.00 0.00 C ATOM 919 O ALA A 60 -8.412 -2.111 1.265 1.00 0.00 O ATOM 920 CB ALA A 60 -5.538 -0.573 0.662 1.00 0.00 C ATOM 0 H ALA A 60 -4.819 -2.255 -1.029 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.901 -2.448 1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.015 0.003 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.462 -0.602 0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.740 -0.103 -0.300 1.00 0.00 H new ATOM 926 N LEU A 61 -7.959 -1.807 -0.868 1.00 0.00 N ATOM 927 CA LEU A 61 -9.404 -1.788 -1.233 1.00 0.00 C ATOM 928 C LEU A 61 -10.031 -3.122 -0.844 1.00 0.00 C ATOM 929 O LEU A 61 -11.038 -3.177 -0.166 1.00 0.00 O ATOM 930 CB LEU A 61 -9.524 -1.616 -2.745 1.00 0.00 C ATOM 931 CG LEU A 61 -8.903 -0.288 -3.157 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.926 -0.178 -4.679 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.703 0.863 -2.547 1.00 0.00 C ATOM 0 H LEU A 61 -7.315 -1.687 -1.649 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.909 -0.972 -0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.023 -2.438 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.572 -1.647 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.874 -0.237 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.483 0.771 -4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.355 -1.000 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.956 -0.226 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.257 1.813 -2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.733 0.819 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.690 0.779 -1.460 1.00 0.00 H new ATOM 945 N ARG A 62 -9.432 -4.200 -1.269 1.00 0.00 N ATOM 946 CA ARG A 62 -9.981 -5.539 -0.925 1.00 0.00 C ATOM 947 C ARG A 62 -9.959 -5.718 0.592 1.00 0.00 C ATOM 948 O ARG A 62 -10.901 -6.202 1.185 1.00 0.00 O ATOM 949 CB ARG A 62 -9.123 -6.626 -1.582 1.00 0.00 C ATOM 950 CG ARG A 62 -9.786 -7.992 -1.384 1.00 0.00 C ATOM 951 CD ARG A 62 -8.860 -9.094 -1.907 1.00 0.00 C ATOM 952 NE ARG A 62 -8.627 -8.905 -3.367 1.00 0.00 N ATOM 953 CZ ARG A 62 -8.171 -9.894 -4.087 1.00 0.00 C ATOM 954 NH1 ARG A 62 -7.922 -11.046 -3.527 1.00 0.00 N ATOM 955 NH2 ARG A 62 -7.963 -9.731 -5.366 1.00 0.00 N ATOM 0 H ARG A 62 -8.586 -4.210 -1.839 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.006 -5.619 -1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.006 -6.418 -2.646 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.124 -6.628 -1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.000 -8.154 -0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -10.740 -8.024 -1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.911 -9.069 -1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.304 -10.072 -1.724 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.824 -8.004 -3.803 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.084 -11.173 -2.528 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.566 -11.820 -4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.157 -8.830 -5.803 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.607 -10.504 -5.927 1.00 0.00 H new ATOM 969 N ALA A 63 -8.892 -5.323 1.229 1.00 0.00 N ATOM 970 CA ALA A 63 -8.814 -5.465 2.709 1.00 0.00 C ATOM 971 C ALA A 63 -9.840 -4.539 3.360 1.00 0.00 C ATOM 972 O ALA A 63 -10.428 -4.858 4.372 1.00 0.00 O ATOM 973 CB ALA A 63 -7.409 -5.086 3.183 1.00 0.00 C ATOM 0 H ALA A 63 -8.071 -4.908 0.788 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.025 -6.497 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.350 -5.189 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.677 -5.745 2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.197 -4.053 2.905 1.00 0.00 H new ATOM 979 N THR A 64 -10.056 -3.389 2.782 1.00 0.00 N ATOM 980 CA THR A 64 -11.040 -2.434 3.364 1.00 0.00 C ATOM 981 C THR A 64 -12.424 -3.082 3.430 1.00 0.00 C ATOM 982 O THR A 64 -13.116 -2.993 4.423 1.00 0.00 O ATOM 983 CB THR A 64 -11.108 -1.188 2.479 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.800 -0.673 2.292 1.00 0.00 O ATOM 985 CG2 THR A 64 -11.978 -0.128 3.148 1.00 0.00 C ATOM 0 H THR A 64 -9.593 -3.070 1.931 1.00 0.00 H new ATOM 0 HA THR A 64 -10.726 -2.162 4.372 1.00 0.00 H new ATOM 0 HB THR A 64 -11.540 -1.453 1.514 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.346 -1.180 1.587 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.024 0.758 2.515 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.984 -0.522 3.294 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.549 0.138 4.114 1.00 0.00 H new ATOM 993 N GLN A 65 -12.835 -3.726 2.373 1.00 0.00 N ATOM 994 CA GLN A 65 -14.175 -4.372 2.369 1.00 0.00 C ATOM 995 C GLN A 65 -14.127 -5.704 3.119 1.00 0.00 C ATOM 996 O GLN A 65 -15.041 -6.054 3.839 1.00 0.00 O ATOM 997 CB GLN A 65 -14.622 -4.599 0.922 1.00 0.00 C ATOM 998 CG GLN A 65 -15.278 -5.976 0.786 1.00 0.00 C ATOM 999 CD GLN A 65 -15.885 -6.116 -0.610 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -16.104 -5.137 -1.292 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -16.166 -7.305 -1.066 1.00 0.00 N ATOM 0 H GLN A 65 -12.299 -3.832 1.511 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.889 -3.720 2.873 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.325 -3.821 0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.765 -4.528 0.253 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.540 -6.760 0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -16.051 -6.099 1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.982 -8.128 -0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.570 -7.412 -1.996 1.00 0.00 H new ATOM 1010 N GLU A 66 -13.079 -6.458 2.953 1.00 0.00 N ATOM 1011 CA GLU A 66 -12.988 -7.772 3.649 1.00 0.00 C ATOM 1012 C GLU A 66 -12.987 -7.574 5.168 1.00 0.00 C ATOM 1013 O GLU A 66 -13.569 -8.346 5.901 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.699 -8.479 3.224 1.00 0.00 C ATOM 1015 CG GLU A 66 -11.812 -8.915 1.762 1.00 0.00 C ATOM 1016 CD GLU A 66 -12.914 -9.968 1.627 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -13.302 -10.523 2.642 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -13.351 -10.199 0.512 1.00 0.00 O ATOM 0 H GLU A 66 -12.280 -6.222 2.365 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.852 -8.379 3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.847 -7.811 3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.521 -9.346 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.037 -8.055 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.861 -9.322 1.418 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.330 -6.554 5.651 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.291 -6.328 7.127 1.00 0.00 C ATOM 1028 C GLU A 67 -13.258 -5.207 7.528 1.00 0.00 C ATOM 1029 O GLU A 67 -13.317 -4.815 8.676 1.00 0.00 O ATOM 1030 CB GLU A 67 -10.871 -5.949 7.545 1.00 0.00 C ATOM 1031 CG GLU A 67 -9.926 -7.118 7.267 1.00 0.00 C ATOM 1032 CD GLU A 67 -10.332 -8.316 8.125 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -11.052 -8.111 9.088 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -9.916 -9.418 7.806 1.00 0.00 O ATOM 0 H GLU A 67 -11.821 -5.870 5.092 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.594 -7.246 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.543 -5.065 6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.849 -5.694 8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.961 -7.385 6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.898 -6.830 7.489 1.00 0.00 H new ATOM 1042 N ALA A 68 -14.011 -4.684 6.601 1.00 0.00 N ATOM 1043 CA ALA A 68 -14.962 -3.588 6.951 1.00 0.00 C ATOM 1044 C ALA A 68 -16.204 -3.676 6.069 1.00 0.00 C ATOM 1045 O ALA A 68 -17.267 -3.216 6.430 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.285 -2.235 6.734 1.00 0.00 C ATOM 0 H ALA A 68 -14.011 -4.965 5.620 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.253 -3.690 7.996 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.980 -1.435 6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.401 -2.164 7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.990 -2.139 5.689 1.00 0.00 H new ATOM 1052 N GLY A 69 -16.081 -4.251 4.908 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.262 -4.355 4.008 1.00 0.00 C ATOM 1054 C GLY A 69 -17.322 -3.116 3.120 1.00 0.00 C ATOM 1055 O GLY A 69 -18.204 -2.974 2.297 1.00 0.00 O ATOM 0 H GLY A 69 -15.217 -4.653 4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.190 -5.254 3.395 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.176 -4.442 4.595 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.391 -2.215 3.279 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.399 -0.988 2.442 1.00 0.00 C ATOM 1061 C ILE A 70 -15.274 -1.082 1.405 1.00 0.00 C ATOM 1062 O ILE A 70 -14.122 -1.279 1.740 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.174 0.246 3.318 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.990 0.142 4.611 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.647 1.473 2.545 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.423 1.107 5.661 1.00 0.00 C ATOM 0 H ILE A 70 -15.627 -2.278 3.952 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.363 -0.900 1.942 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.116 0.321 3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -18.035 0.379 4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.961 -0.880 4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.496 2.366 3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -16.077 1.562 1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.706 1.369 2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -17.006 1.030 6.579 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.384 0.850 5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.475 2.128 5.283 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.602 -0.940 0.150 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.562 -1.017 -0.916 1.00 0.00 C ATOM 1080 C GLU A 71 -14.492 0.319 -1.655 1.00 0.00 C ATOM 1081 O GLU A 71 -15.329 1.181 -1.480 1.00 0.00 O ATOM 1082 CB GLU A 71 -14.906 -2.153 -1.889 1.00 0.00 C ATOM 1083 CG GLU A 71 -14.266 -1.907 -3.257 1.00 0.00 C ATOM 1084 CD GLU A 71 -14.599 -3.070 -4.190 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -14.179 -3.024 -5.336 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -15.265 -3.990 -3.746 1.00 0.00 O ATOM 0 H GLU A 71 -16.551 -0.773 -0.185 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.590 -1.223 -0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.557 -3.103 -1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -15.988 -2.231 -1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.633 -0.971 -3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.186 -1.808 -3.153 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.494 0.496 -2.473 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.364 1.780 -3.221 1.00 0.00 C ATOM 1096 C ALA A 72 -14.717 2.162 -3.812 1.00 0.00 C ATOM 1097 O ALA A 72 -15.091 3.317 -3.834 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.341 1.614 -4.338 1.00 0.00 C ATOM 0 H ALA A 72 -12.763 -0.191 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 72 -13.033 2.567 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.245 2.552 -4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.376 1.343 -3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.670 0.828 -5.018 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.464 1.203 -4.269 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.800 1.514 -4.833 1.00 0.00 C ATOM 1106 C GLY A 73 -17.652 2.153 -3.739 1.00 0.00 C ATOM 1107 O GLY A 73 -18.632 2.820 -4.007 1.00 0.00 O ATOM 0 H GLY A 73 -15.207 0.216 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.704 2.191 -5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.276 0.605 -5.202 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.290 1.940 -2.500 1.00 0.00 N ATOM 1112 CA GLN A 74 -18.085 2.520 -1.384 1.00 0.00 C ATOM 1113 C GLN A 74 -17.353 3.711 -0.745 1.00 0.00 C ATOM 1114 O GLN A 74 -17.945 4.470 -0.004 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.341 1.437 -0.334 1.00 0.00 C ATOM 1116 CG GLN A 74 -19.198 0.330 -0.950 1.00 0.00 C ATOM 1117 CD GLN A 74 -19.491 -0.740 0.104 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -18.714 -1.655 0.291 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -20.589 -0.662 0.806 1.00 0.00 N ATOM 0 H GLN A 74 -16.479 1.390 -2.216 1.00 0.00 H new ATOM 0 HA GLN A 74 -19.033 2.883 -1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.395 1.026 0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.847 1.865 0.531 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -20.131 0.747 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.680 -0.115 -1.800 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -21.241 0.106 0.649 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -20.795 -1.369 1.512 1.00 0.00 H new ATOM 1128 N LEU A 75 -16.086 3.909 -1.034 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.378 5.087 -0.436 1.00 0.00 C ATOM 1130 C LEU A 75 -14.678 5.878 -1.532 1.00 0.00 C ATOM 1131 O LEU A 75 -14.755 5.558 -2.702 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.322 4.684 0.612 1.00 0.00 C ATOM 1133 CG LEU A 75 -14.098 3.171 0.644 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.814 2.835 -0.112 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.943 2.713 2.092 1.00 0.00 C ATOM 0 H LEU A 75 -15.522 3.319 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 75 -16.141 5.685 0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.380 5.186 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.640 5.025 1.597 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.948 2.670 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.651 1.757 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.903 3.169 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.971 3.339 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.783 1.635 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.089 3.217 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.846 2.959 2.650 1.00 0.00 H new ATOM 1147 N THR A 76 -13.984 6.910 -1.146 1.00 0.00 N ATOM 1148 CA THR A 76 -13.255 7.743 -2.135 1.00 0.00 C ATOM 1149 C THR A 76 -11.784 7.813 -1.723 1.00 0.00 C ATOM 1150 O THR A 76 -11.443 8.395 -0.716 1.00 0.00 O ATOM 1151 CB THR A 76 -13.857 9.150 -2.144 1.00 0.00 C ATOM 1152 OG1 THR A 76 -15.156 9.104 -2.719 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.965 10.089 -2.952 1.00 0.00 C ATOM 0 H THR A 76 -13.891 7.214 -0.177 1.00 0.00 H new ATOM 0 HA THR A 76 -13.338 7.310 -3.132 1.00 0.00 H new ATOM 0 HB THR A 76 -13.927 9.521 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.544 10.004 -2.724 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.398 11.089 -2.955 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.973 10.125 -2.502 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.886 9.724 -3.976 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.911 7.229 -2.495 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.467 7.261 -2.134 1.00 0.00 C ATOM 1163 C ILE A 77 -8.872 8.597 -2.589 1.00 0.00 C ATOM 1164 O ILE A 77 -9.041 9.010 -3.718 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.741 6.110 -2.837 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.569 4.822 -2.716 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.369 5.894 -2.190 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.545 4.304 -1.275 1.00 0.00 C ATOM 0 H ILE A 77 -11.134 6.732 -3.358 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.351 7.154 -1.056 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.612 6.360 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.597 5.013 -3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.171 4.062 -3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.855 5.075 -2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.776 6.804 -2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.498 5.649 -1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.136 3.391 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.517 4.093 -0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.965 5.059 -0.610 1.00 0.00 H new ATOM 1180 N ILE A 78 -8.187 9.282 -1.714 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.597 10.594 -2.100 1.00 0.00 C ATOM 1182 C ILE A 78 -6.220 10.381 -2.726 1.00 0.00 C ATOM 1183 O ILE A 78 -5.460 9.523 -2.321 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.487 11.497 -0.870 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.541 12.603 -0.971 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -6.092 12.126 -0.797 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.936 11.978 -1.014 1.00 0.00 C ATOM 0 H ILE A 78 -8.011 8.991 -0.752 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.244 11.076 -2.833 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.651 10.904 0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.459 13.277 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.371 13.201 -1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.027 12.766 0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.341 11.339 -0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.914 12.721 -1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.686 12.766 -1.086 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.014 11.322 -1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.104 11.399 -0.106 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.910 11.148 -3.730 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.598 10.999 -4.422 1.00 0.00 C ATOM 1201 C GLU A 79 -3.642 12.123 -4.017 1.00 0.00 C ATOM 1202 O GLU A 79 -4.055 13.217 -3.684 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.825 11.051 -5.929 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.795 9.940 -6.335 1.00 0.00 C ATOM 1205 CD GLU A 79 -5.981 9.955 -7.852 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -6.586 9.029 -8.365 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -5.511 10.894 -8.477 1.00 0.00 O ATOM 0 H GLU A 79 -6.513 11.879 -4.106 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.154 10.045 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.228 12.023 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.878 10.932 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.410 8.972 -6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.755 10.082 -5.839 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.364 11.863 -4.060 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.372 12.912 -3.693 1.00 0.00 C ATOM 1217 C GLY A 80 -0.777 12.602 -2.322 1.00 0.00 C ATOM 1218 O GLY A 80 0.330 12.998 -2.013 1.00 0.00 O ATOM 0 H GLY A 80 -1.963 10.966 -4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.581 12.956 -4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.852 13.891 -3.679 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.497 11.894 -1.495 1.00 0.00 N ATOM 1223 CA PHE A 81 -0.961 11.558 -0.146 1.00 0.00 C ATOM 1224 C PHE A 81 -0.684 10.060 -0.037 1.00 0.00 C ATOM 1225 O PHE A 81 -1.551 9.239 -0.264 1.00 0.00 O ATOM 1226 CB PHE A 81 -1.976 11.946 0.925 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.514 11.391 2.249 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.821 10.070 2.594 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -0.772 12.189 3.126 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.385 9.548 3.817 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.338 11.666 4.346 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.645 10.347 4.693 1.00 0.00 C ATOM 0 H PHE A 81 -2.431 11.535 -1.695 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.032 12.110 -0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.070 13.030 0.982 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.961 11.553 0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.394 9.454 1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.535 13.209 2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.620 8.528 4.084 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.236 12.282 5.023 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.310 9.945 5.638 1.00 0.00 H new ATOM 1242 N LYS A 82 0.507 9.694 0.344 1.00 0.00 N ATOM 1243 CA LYS A 82 0.820 8.250 0.505 1.00 0.00 C ATOM 1244 C LYS A 82 1.975 8.089 1.483 1.00 0.00 C ATOM 1245 O LYS A 82 2.951 8.813 1.444 1.00 0.00 O ATOM 1246 CB LYS A 82 1.219 7.618 -0.824 1.00 0.00 C ATOM 1247 CG LYS A 82 1.208 6.098 -0.658 1.00 0.00 C ATOM 1248 CD LYS A 82 1.626 5.428 -1.967 1.00 0.00 C ATOM 1249 CE LYS A 82 3.110 5.688 -2.227 1.00 0.00 C ATOM 1250 NZ LYS A 82 3.253 6.689 -3.320 1.00 0.00 N ATOM 0 H LYS A 82 1.276 10.332 0.550 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.075 7.751 0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.526 7.919 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.210 7.960 -1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.887 5.806 0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.212 5.762 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.438 4.356 -1.914 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.029 5.816 -2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.591 6.053 -1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.610 4.759 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.200 7.118 -3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.128 6.219 -4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.532 7.430 -3.209 1.00 0.00 H new ATOM 1264 N ARG A 83 1.871 7.139 2.355 1.00 0.00 N ATOM 1265 CA ARG A 83 2.955 6.897 3.343 1.00 0.00 C ATOM 1266 C ARG A 83 2.810 5.477 3.886 1.00 0.00 C ATOM 1267 O ARG A 83 1.711 4.993 4.070 1.00 0.00 O ATOM 1268 CB ARG A 83 2.831 7.902 4.493 1.00 0.00 C ATOM 1269 CG ARG A 83 3.956 7.675 5.511 1.00 0.00 C ATOM 1270 CD ARG A 83 5.267 8.263 4.982 1.00 0.00 C ATOM 1271 NE ARG A 83 6.354 8.009 5.969 1.00 0.00 N ATOM 1272 CZ ARG A 83 6.394 8.686 7.082 1.00 0.00 C ATOM 1273 NH1 ARG A 83 5.490 9.597 7.324 1.00 0.00 N ATOM 1274 NH2 ARG A 83 7.337 8.457 7.952 1.00 0.00 N ATOM 0 H ARG A 83 1.072 6.509 2.430 1.00 0.00 H new ATOM 0 HA ARG A 83 3.929 7.017 2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.880 8.919 4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.862 7.793 4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.697 8.140 6.462 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.076 6.608 5.701 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.519 7.813 4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.157 9.334 4.813 1.00 0.00 H new ATOM 0 HE ARG A 83 7.066 7.306 5.774 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.753 9.778 6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.521 10.127 8.195 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.045 7.747 7.762 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.367 8.987 8.823 1.00 0.00 H new ATOM 1288 N GLU A 84 3.894 4.805 4.156 1.00 0.00 N ATOM 1289 CA GLU A 84 3.767 3.427 4.697 1.00 0.00 C ATOM 1290 C GLU A 84 4.411 3.343 6.070 1.00 0.00 C ATOM 1291 O GLU A 84 5.465 3.899 6.311 1.00 0.00 O ATOM 1292 CB GLU A 84 4.431 2.412 3.770 1.00 0.00 C ATOM 1293 CG GLU A 84 5.851 2.856 3.424 1.00 0.00 C ATOM 1294 CD GLU A 84 5.810 4.160 2.626 1.00 0.00 C ATOM 1295 OE1 GLU A 84 6.481 5.099 3.025 1.00 0.00 O ATOM 1296 OE2 GLU A 84 5.104 4.201 1.633 1.00 0.00 O ATOM 0 H GLU A 84 4.847 5.145 4.028 1.00 0.00 H new ATOM 0 HA GLU A 84 2.705 3.194 4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.456 1.434 4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.844 2.305 2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.430 2.996 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.353 2.081 2.845 1.00 0.00 H new ATOM 1304 N LEU A 85 3.798 2.634 6.972 1.00 0.00 N ATOM 1305 CA LEU A 85 4.392 2.502 8.322 1.00 0.00 C ATOM 1306 C LEU A 85 5.171 1.192 8.362 1.00 0.00 C ATOM 1307 O LEU A 85 4.618 0.125 8.191 1.00 0.00 O ATOM 1308 CB LEU A 85 3.285 2.486 9.379 1.00 0.00 C ATOM 1309 CG LEU A 85 2.305 3.635 9.113 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.429 3.864 10.345 1.00 0.00 C ATOM 1311 CD2 LEU A 85 3.074 4.918 8.792 1.00 0.00 C ATOM 0 H LEU A 85 2.915 2.143 6.832 1.00 0.00 H new ATOM 0 HA LEU A 85 5.053 3.343 8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.758 1.532 9.354 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.717 2.586 10.375 1.00 0.00 H new ATOM 0 HG LEU A 85 1.676 3.371 8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.735 4.681 10.151 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.868 2.956 10.566 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.059 4.118 11.197 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.369 5.728 8.605 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.712 5.180 9.636 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.690 4.761 7.906 1.00 0.00 H new ATOM 1323 N ASN A 86 6.458 1.267 8.564 1.00 0.00 N ATOM 1324 CA ASN A 86 7.275 0.026 8.587 1.00 0.00 C ATOM 1325 C ASN A 86 7.869 -0.170 9.980 1.00 0.00 C ATOM 1326 O ASN A 86 8.527 0.700 10.514 1.00 0.00 O ATOM 1327 CB ASN A 86 8.401 0.152 7.560 1.00 0.00 C ATOM 1328 CG ASN A 86 7.809 0.608 6.223 1.00 0.00 C ATOM 1329 OD1 ASN A 86 6.614 0.781 6.103 1.00 0.00 O ATOM 1330 ND2 ASN A 86 8.601 0.812 5.206 1.00 0.00 N ATOM 0 H ASN A 86 6.976 2.133 8.714 1.00 0.00 H new ATOM 0 HA ASN A 86 6.649 -0.832 8.342 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.147 0.868 7.905 1.00 0.00 H new ATOM 0 HB3 ASN A 86 8.909 -0.805 7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.215 1.116 4.312 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.606 0.667 5.305 1.00 0.00 H new ATOM 1337 N TYR A 87 7.637 -1.308 10.574 1.00 0.00 N ATOM 1338 CA TYR A 87 8.182 -1.564 11.928 1.00 0.00 C ATOM 1339 C TYR A 87 8.072 -3.049 12.245 1.00 0.00 C ATOM 1340 O TYR A 87 7.216 -3.743 11.734 1.00 0.00 O ATOM 1341 CB TYR A 87 7.379 -0.770 12.957 1.00 0.00 C ATOM 1342 CG TYR A 87 5.909 -1.071 12.786 1.00 0.00 C ATOM 1343 CD1 TYR A 87 5.340 -2.181 13.421 1.00 0.00 C ATOM 1344 CD2 TYR A 87 5.112 -0.237 11.988 1.00 0.00 C ATOM 1345 CE1 TYR A 87 3.977 -2.457 13.261 1.00 0.00 C ATOM 1346 CE2 TYR A 87 3.750 -0.514 11.830 1.00 0.00 C ATOM 1347 CZ TYR A 87 3.183 -1.623 12.467 1.00 0.00 C ATOM 1348 OH TYR A 87 1.838 -1.895 12.310 1.00 0.00 O ATOM 0 H TYR A 87 7.091 -2.072 10.175 1.00 0.00 H new ATOM 0 HA TYR A 87 9.227 -1.258 11.963 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.700 -1.031 13.965 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.560 0.297 12.831 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.953 -2.825 14.035 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.550 0.619 11.496 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.538 -3.314 13.751 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.136 0.128 11.216 1.00 0.00 H new ATOM 0 HH TYR A 87 1.433 -1.218 11.729 1.00 0.00 H new ATOM 1444 N PRO A 93 9.100 -7.298 10.527 1.00 0.00 N ATOM 1445 CA PRO A 93 8.896 -5.922 9.982 1.00 0.00 C ATOM 1446 C PRO A 93 7.753 -5.887 8.987 1.00 0.00 C ATOM 1447 O PRO A 93 7.696 -6.690 8.087 1.00 0.00 O ATOM 1448 CB PRO A 93 10.198 -5.626 9.259 1.00 0.00 C ATOM 1449 CG PRO A 93 10.675 -6.961 8.809 1.00 0.00 C ATOM 1450 CD PRO A 93 10.240 -7.955 9.883 1.00 0.00 C ATOM 0 HA PRO A 93 8.651 -5.205 10.765 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.042 -4.954 8.416 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.920 -5.146 9.919 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.246 -7.221 7.841 1.00 0.00 H new ATOM 0 HG3 PRO A 93 11.758 -6.967 8.689 1.00 0.00 H new ATOM 0 HD2 PRO A 93 9.956 -8.914 9.449 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.042 -8.152 10.594 1.00 0.00 H new ATOM 1458 N LYS A 94 6.854 -4.969 9.126 1.00 0.00 N ATOM 1459 CA LYS A 94 5.724 -4.915 8.163 1.00 0.00 C ATOM 1460 C LYS A 94 5.594 -3.525 7.549 1.00 0.00 C ATOM 1461 O LYS A 94 5.324 -2.555 8.227 1.00 0.00 O ATOM 1462 CB LYS A 94 4.424 -5.263 8.887 1.00 0.00 C ATOM 1463 CG LYS A 94 4.401 -6.757 9.215 1.00 0.00 C ATOM 1464 CD LYS A 94 3.118 -7.093 9.974 1.00 0.00 C ATOM 1465 CE LYS A 94 1.936 -7.090 9.003 1.00 0.00 C ATOM 1466 NZ LYS A 94 1.473 -8.487 8.774 1.00 0.00 N ATOM 0 H LYS A 94 6.847 -4.257 9.856 1.00 0.00 H new ATOM 0 HA LYS A 94 5.918 -5.632 7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.339 -4.678 9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.568 -5.005 8.263 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.457 -7.342 8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.271 -7.022 9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.209 -8.069 10.450 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.952 -6.366 10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.122 -6.488 9.407 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.230 -6.634 8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.813 -8.818 7.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.849 -9.104 9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.434 -8.515 8.792 1.00 0.00 H new ATOM 1480 N THR A 95 5.742 -3.432 6.256 1.00 0.00 N ATOM 1481 CA THR A 95 5.580 -2.117 5.592 1.00 0.00 C ATOM 1482 C THR A 95 4.096 -1.947 5.302 1.00 0.00 C ATOM 1483 O THR A 95 3.498 -2.742 4.602 1.00 0.00 O ATOM 1484 CB THR A 95 6.380 -2.086 4.285 1.00 0.00 C ATOM 1485 OG1 THR A 95 7.757 -1.884 4.580 1.00 0.00 O ATOM 1486 CG2 THR A 95 5.878 -0.948 3.389 1.00 0.00 C ATOM 0 H THR A 95 5.967 -4.210 5.636 1.00 0.00 H new ATOM 0 HA THR A 95 5.947 -1.311 6.227 1.00 0.00 H new ATOM 0 HB THR A 95 6.250 -3.034 3.763 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.271 -1.865 3.746 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.452 -0.934 2.463 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.824 -1.103 3.160 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.000 0.004 3.906 1.00 0.00 H new ATOM 1494 N VAL A 96 3.486 -0.940 5.847 1.00 0.00 N ATOM 1495 CA VAL A 96 2.032 -0.752 5.618 1.00 0.00 C ATOM 1496 C VAL A 96 1.802 0.542 4.847 1.00 0.00 C ATOM 1497 O VAL A 96 2.140 1.607 5.309 1.00 0.00 O ATOM 1498 CB VAL A 96 1.339 -0.670 6.980 1.00 0.00 C ATOM 1499 CG1 VAL A 96 -0.177 -0.610 6.791 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.700 -1.908 7.808 1.00 0.00 C ATOM 0 H VAL A 96 3.929 -0.239 6.441 1.00 0.00 H new ATOM 0 HA VAL A 96 1.629 -1.584 5.041 1.00 0.00 H new ATOM 0 HB VAL A 96 1.671 0.230 7.498 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.663 -0.552 7.765 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.436 0.271 6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.514 -1.506 6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.208 -1.853 8.779 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.369 -2.805 7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.780 -1.948 7.950 1.00 0.00 H new ATOM 1510 N ILE A 97 1.215 0.459 3.684 1.00 0.00 N ATOM 1511 CA ILE A 97 0.955 1.693 2.889 1.00 0.00 C ATOM 1512 C ILE A 97 -0.474 2.151 3.165 1.00 0.00 C ATOM 1513 O ILE A 97 -1.409 1.379 3.072 1.00 0.00 O ATOM 1514 CB ILE A 97 1.129 1.386 1.396 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.526 0.780 1.165 1.00 0.00 C ATOM 1516 CG2 ILE A 97 0.967 2.671 0.579 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.478 1.833 0.580 1.00 0.00 C ATOM 0 H ILE A 97 0.904 -0.410 3.250 1.00 0.00 H new ATOM 0 HA ILE A 97 1.656 2.479 3.169 1.00 0.00 H new ATOM 0 HB ILE A 97 0.369 0.673 1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.926 0.403 2.106 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.453 -0.070 0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.092 2.447 -0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.027 3.086 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.720 3.396 0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.461 1.388 0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.085 2.190 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.565 2.670 1.273 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.652 3.388 3.536 1.00 0.00 N ATOM 1530 CA TYR A 98 -2.026 3.867 3.852 1.00 0.00 C ATOM 1531 C TYR A 98 -2.477 4.961 2.885 1.00 0.00 C ATOM 1532 O TYR A 98 -1.770 5.911 2.618 1.00 0.00 O ATOM 1533 CB TYR A 98 -2.045 4.452 5.263 1.00 0.00 C ATOM 1534 CG TYR A 98 -2.023 3.350 6.291 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -3.095 2.456 6.386 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.938 3.236 7.166 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -3.082 1.450 7.358 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.922 2.225 8.134 1.00 0.00 C ATOM 1539 CZ TYR A 98 -1.995 1.333 8.231 1.00 0.00 C ATOM 1540 OH TYR A 98 -1.985 0.343 9.189 1.00 0.00 O ATOM 0 H TYR A 98 0.088 4.083 3.634 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.700 3.015 3.766 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.184 5.106 5.404 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.936 5.065 5.397 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.932 2.543 5.709 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.112 3.928 7.095 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.912 0.763 7.435 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.081 2.134 8.806 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.157 0.401 9.711 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.683 4.847 2.408 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.248 5.885 1.510 1.00 0.00 C ATOM 1552 C TRP A 99 -5.455 6.490 2.223 1.00 0.00 C ATOM 1553 O TRP A 99 -6.185 5.796 2.903 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.700 5.258 0.191 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.559 5.203 -0.770 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -3.118 6.240 -1.517 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.715 4.068 -1.106 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -2.058 5.811 -2.294 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.773 4.478 -2.075 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.680 2.732 -0.667 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.827 3.596 -2.593 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.728 1.841 -1.184 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.804 2.271 -2.146 1.00 0.00 C ATOM 0 H TRP A 99 -4.309 4.066 2.606 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.498 6.644 1.287 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.083 4.253 0.370 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.517 5.840 -0.236 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.527 7.240 -1.508 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.549 6.406 -2.948 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.390 2.391 0.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.117 3.933 -3.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.707 0.818 -0.839 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.075 1.580 -2.542 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.682 7.762 2.093 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.856 8.359 2.789 1.00 0.00 C ATOM 1576 C LEU A 100 -8.118 8.009 2.004 1.00 0.00 C ATOM 1577 O LEU A 100 -8.156 8.116 0.795 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.692 9.879 2.864 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.206 10.235 2.801 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -5.025 11.723 3.088 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.438 9.424 3.846 1.00 0.00 C ATOM 0 H LEU A 100 -5.117 8.410 1.544 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.931 7.964 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.226 10.354 2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.129 10.257 3.788 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.824 10.004 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.966 11.976 3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.569 12.306 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.411 11.951 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.379 9.680 3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.823 9.654 4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.564 8.360 3.645 1.00 0.00 H new ATOM 1593 N ALA A 101 -9.148 7.575 2.677 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.396 7.203 1.956 1.00 0.00 C ATOM 1595 C ALA A 101 -11.609 7.780 2.682 1.00 0.00 C ATOM 1596 O ALA A 101 -11.562 8.059 3.863 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.516 5.678 1.899 1.00 0.00 C ATOM 0 H ALA A 101 -9.179 7.463 3.690 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.358 7.607 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.430 5.404 1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.655 5.265 1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.549 5.277 2.912 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.693 7.965 1.982 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.910 8.531 2.627 1.00 0.00 C ATOM 1605 C GLU A 102 -15.131 7.679 2.279 1.00 0.00 C ATOM 1606 O GLU A 102 -15.491 7.548 1.126 1.00 0.00 O ATOM 1607 CB GLU A 102 -14.132 9.953 2.103 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.356 10.574 2.779 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.680 11.912 2.114 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -14.928 12.315 1.243 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -16.678 12.507 2.484 1.00 0.00 O ATOM 0 H GLU A 102 -12.789 7.748 0.990 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.774 8.541 3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.250 10.563 2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.274 9.933 1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.209 9.900 2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.163 10.721 3.842 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.795 7.121 3.258 1.00 0.00 N ATOM 1620 CA VAL A 103 -17.005 6.316 2.944 1.00 0.00 C ATOM 1621 C VAL A 103 -18.161 7.276 2.687 1.00 0.00 C ATOM 1622 O VAL A 103 -18.552 8.053 3.537 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.329 5.367 4.099 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -16.055 4.653 4.517 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.879 6.145 5.293 1.00 0.00 C ATOM 0 H VAL A 103 -15.554 7.188 4.247 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.831 5.705 2.058 1.00 0.00 H new ATOM 0 HB VAL A 103 -18.080 4.649 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.273 3.973 5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.662 4.087 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.315 5.387 4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -18.104 5.454 6.105 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.137 6.870 5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.789 6.668 4.999 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.677 7.249 1.497 1.00 0.00 N ATOM 1636 CA LYS A 104 -19.779 8.175 1.115 1.00 0.00 C ATOM 1637 C LYS A 104 -21.019 7.966 1.991 1.00 0.00 C ATOM 1638 O LYS A 104 -21.794 8.879 2.195 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.140 7.921 -0.347 1.00 0.00 C ATOM 1640 CG LYS A 104 -20.386 6.424 -0.556 1.00 0.00 C ATOM 1641 CD LYS A 104 -20.106 6.055 -2.013 1.00 0.00 C ATOM 1642 CE LYS A 104 -18.605 6.181 -2.296 1.00 0.00 C ATOM 1643 NZ LYS A 104 -18.127 4.957 -2.998 1.00 0.00 N ATOM 0 H LYS A 104 -18.379 6.614 0.757 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.440 9.201 1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -21.030 8.489 -0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -19.335 8.263 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.743 5.844 0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -21.416 6.175 -0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -20.439 5.036 -2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -20.668 6.710 -2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -18.412 7.062 -2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -18.058 6.315 -1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -17.209 4.667 -2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -18.817 4.190 -2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -18.021 5.158 -4.013 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.241 6.783 2.495 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.461 6.564 3.326 1.00 0.00 C ATOM 1659 C ASP A 105 -22.141 6.641 4.815 1.00 0.00 C ATOM 1660 O ASP A 105 -21.250 5.983 5.312 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.050 5.193 3.015 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.379 5.363 2.277 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -24.638 4.579 1.380 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.116 6.274 2.619 1.00 0.00 O ATOM 0 H ASP A 105 -20.640 5.968 2.371 1.00 0.00 H new ATOM 0 HA ASP A 105 -23.178 7.349 3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -22.354 4.617 2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.203 4.634 3.938 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.897 7.425 5.533 1.00 0.00 N ATOM 1671 CA TYR A 106 -22.689 7.540 7.006 1.00 0.00 C ATOM 1672 C TYR A 106 -23.026 6.197 7.649 1.00 0.00 C ATOM 1673 O TYR A 106 -22.345 5.730 8.537 1.00 0.00 O ATOM 1674 CB TYR A 106 -23.608 8.633 7.568 1.00 0.00 C ATOM 1675 CG TYR A 106 -23.530 8.653 9.079 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -22.293 8.779 9.725 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -24.703 8.548 9.834 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -22.233 8.797 11.124 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -24.643 8.568 11.232 1.00 0.00 C ATOM 1680 CZ TYR A 106 -23.408 8.693 11.877 1.00 0.00 C ATOM 1681 OH TYR A 106 -23.349 8.712 13.257 1.00 0.00 O ATOM 0 H TYR A 106 -23.656 7.996 5.160 1.00 0.00 H new ATOM 0 HA TYR A 106 -21.654 7.804 7.222 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -23.317 9.604 7.168 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -24.635 8.453 7.252 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.386 8.862 9.144 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -25.657 8.451 9.337 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -21.279 8.891 11.622 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -25.550 8.487 11.813 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.254 8.631 13.624 1.00 0.00 H new ATOM 1691 N ASP A 107 -24.071 5.571 7.181 1.00 0.00 N ATOM 1692 CA ASP A 107 -24.468 4.247 7.729 1.00 0.00 C ATOM 1693 C ASP A 107 -23.869 3.156 6.845 1.00 0.00 C ATOM 1694 O ASP A 107 -24.288 2.015 6.874 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.994 4.128 7.738 1.00 0.00 C ATOM 1696 CG ASP A 107 -26.524 4.148 6.301 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -27.723 4.294 6.135 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -25.721 4.016 5.390 1.00 0.00 O ATOM 0 H ASP A 107 -24.671 5.925 6.436 1.00 0.00 H new ATOM 0 HA ASP A 107 -24.102 4.141 8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -26.293 3.204 8.233 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -26.429 4.950 8.307 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.889 3.505 6.058 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.249 2.506 5.167 1.00 0.00 C ATOM 1706 C VAL A 108 -22.107 1.189 5.930 1.00 0.00 C ATOM 1707 O VAL A 108 -21.951 1.173 7.135 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.878 3.038 4.750 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -20.098 3.448 5.996 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.097 1.962 3.995 1.00 0.00 C ATOM 0 H VAL A 108 -22.504 4.447 5.996 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.851 2.334 4.275 1.00 0.00 H new ATOM 0 HB VAL A 108 -21.015 3.899 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -19.119 3.828 5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.645 4.226 6.528 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.972 2.583 6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.123 2.356 3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -19.960 1.093 4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.651 1.669 3.103 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.184 0.085 5.243 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.082 -1.224 5.936 1.00 0.00 C ATOM 1722 C GLU A 109 -20.702 -1.397 6.552 1.00 0.00 C ATOM 1723 O GLU A 109 -19.693 -1.001 6.003 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.350 -2.363 4.954 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.082 -3.197 4.747 1.00 0.00 C ATOM 1726 CD GLU A 109 -21.321 -4.206 3.624 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -20.364 -4.836 3.207 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -22.457 -4.328 3.197 1.00 0.00 O ATOM 0 H GLU A 109 -22.313 0.034 4.232 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.829 -1.249 6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.152 -2.997 5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -22.687 -1.958 4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.243 -2.548 4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -20.820 -3.716 5.669 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.674 -2.016 7.685 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.387 -2.280 8.381 1.00 0.00 C ATOM 1738 C ILE A 110 -19.272 -3.775 8.656 1.00 0.00 C ATOM 1739 O ILE A 110 -19.890 -4.295 9.562 1.00 0.00 O ATOM 1740 CB ILE A 110 -19.335 -1.513 9.704 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -19.241 -0.009 9.428 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -18.115 -1.967 10.508 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.958 0.295 8.647 1.00 0.00 C ATOM 0 H ILE A 110 -21.501 -2.359 8.173 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.561 -1.950 7.751 1.00 0.00 H new ATOM 0 HB ILE A 110 -20.241 -1.715 10.275 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -20.111 0.321 8.860 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -19.246 0.544 10.367 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -18.077 -1.421 11.451 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -18.189 -3.036 10.710 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -17.208 -1.768 9.937 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.895 1.366 8.453 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -17.093 -0.019 9.231 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.972 -0.245 7.700 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.481 -4.472 7.893 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.332 -5.932 8.138 1.00 0.00 C ATOM 1757 C ARG A 111 -16.928 -6.207 8.647 1.00 0.00 C ATOM 1758 O ARG A 111 -15.947 -5.813 8.048 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.577 -6.716 6.853 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.915 -7.449 6.953 1.00 0.00 C ATOM 1761 CD ARG A 111 -19.885 -8.418 8.138 1.00 0.00 C ATOM 1762 NE ARG A 111 -20.551 -9.695 7.753 1.00 0.00 N ATOM 1763 CZ ARG A 111 -21.816 -9.701 7.435 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -22.494 -8.586 7.433 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -22.403 -10.821 7.112 1.00 0.00 N ATOM 0 H ARG A 111 -17.935 -4.099 7.116 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.065 -6.248 8.880 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -18.583 -6.041 5.997 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -17.770 -7.430 6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.726 -6.731 7.078 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -20.112 -7.994 6.030 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -18.855 -8.609 8.439 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -20.391 -7.976 8.996 1.00 0.00 H new ATOM 0 HE ARG A 111 -20.017 -10.564 7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -22.035 -7.709 7.680 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -23.483 -8.591 7.184 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -21.873 -11.692 7.108 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -23.392 -10.825 6.863 1.00 0.00 H new ATOM 1779 N LEU A 112 -16.827 -6.868 9.758 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.486 -7.154 10.325 1.00 0.00 C ATOM 1781 C LEU A 112 -15.169 -8.643 10.169 1.00 0.00 C ATOM 1782 O LEU A 112 -15.992 -9.494 10.442 1.00 0.00 O ATOM 1783 CB LEU A 112 -15.481 -6.792 11.811 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.212 -5.461 12.030 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.034 -5.027 13.486 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.647 -4.379 11.102 1.00 0.00 C ATOM 0 H LEU A 112 -17.615 -7.224 10.300 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.735 -6.566 9.797 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -15.964 -7.581 12.387 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.455 -6.717 12.172 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.270 -5.595 11.806 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.551 -4.081 13.650 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -16.451 -5.788 14.146 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -14.973 -4.902 13.701 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.177 -3.442 11.271 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.586 -4.239 11.310 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -15.775 -4.686 10.064 1.00 0.00 H new ATOM 1798 N SER A 113 -13.979 -8.966 9.751 1.00 0.00 N ATOM 1799 CA SER A 113 -13.611 -10.401 9.602 1.00 0.00 C ATOM 1800 C SER A 113 -13.213 -10.948 10.972 1.00 0.00 C ATOM 1801 O SER A 113 -13.153 -10.221 11.944 1.00 0.00 O ATOM 1802 CB SER A 113 -12.431 -10.532 8.640 1.00 0.00 C ATOM 1803 OG SER A 113 -12.403 -11.851 8.110 1.00 0.00 O ATOM 0 H SER A 113 -13.246 -8.300 9.506 1.00 0.00 H new ATOM 0 HA SER A 113 -14.458 -10.962 9.206 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.522 -9.805 7.833 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.497 -10.316 9.159 1.00 0.00 H new ATOM 0 HG SER A 113 -11.648 -11.939 7.491 1.00 0.00 H new ATOM 1809 N HIS A 114 -12.937 -12.217 11.067 1.00 0.00 N ATOM 1810 CA HIS A 114 -12.542 -12.783 12.387 1.00 0.00 C ATOM 1811 C HIS A 114 -11.377 -11.964 12.947 1.00 0.00 C ATOM 1812 O HIS A 114 -11.217 -11.836 14.146 1.00 0.00 O ATOM 1813 CB HIS A 114 -12.107 -14.240 12.216 1.00 0.00 C ATOM 1814 CG HIS A 114 -11.910 -14.863 13.572 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -12.966 -15.066 14.451 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -10.790 -15.329 14.217 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -12.463 -15.635 15.563 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -11.146 -15.814 15.470 1.00 0.00 N ATOM 0 H HIS A 114 -12.967 -12.883 10.295 1.00 0.00 H new ATOM 0 HA HIS A 114 -13.389 -12.743 13.072 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -12.860 -14.793 11.655 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -11.182 -14.290 11.642 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -9.788 -15.320 13.813 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -13.054 -15.912 16.424 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.528 -16.222 16.172 1.00 0.00 H new ATOM 1827 N GLU A 115 -10.567 -11.409 12.089 1.00 0.00 N ATOM 1828 CA GLU A 115 -9.410 -10.597 12.565 1.00 0.00 C ATOM 1829 C GLU A 115 -9.921 -9.401 13.376 1.00 0.00 C ATOM 1830 O GLU A 115 -9.295 -8.975 14.328 1.00 0.00 O ATOM 1831 CB GLU A 115 -8.614 -10.092 11.359 1.00 0.00 C ATOM 1832 CG GLU A 115 -8.034 -11.286 10.596 1.00 0.00 C ATOM 1833 CD GLU A 115 -7.178 -10.786 9.430 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -7.190 -9.591 9.183 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -6.526 -11.607 8.806 1.00 0.00 O ATOM 0 H GLU A 115 -10.656 -11.482 11.076 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.768 -11.213 13.195 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.258 -9.506 10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.811 -9.433 11.689 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.431 -11.900 11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.840 -11.918 10.223 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.054 -8.859 13.013 1.00 0.00 N ATOM 1844 CA HIS A 116 -11.604 -7.696 13.770 1.00 0.00 C ATOM 1845 C HIS A 116 -12.981 -8.064 14.328 1.00 0.00 C ATOM 1846 O HIS A 116 -13.771 -8.715 13.672 1.00 0.00 O ATOM 1847 CB HIS A 116 -11.725 -6.489 12.839 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.350 -5.973 12.511 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -9.590 -5.254 13.426 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -9.584 -6.063 11.376 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -8.424 -4.944 12.828 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -8.372 -5.413 11.582 1.00 0.00 N ATOM 0 H HIS A 116 -11.622 -9.171 12.225 1.00 0.00 H new ATOM 0 HA HIS A 116 -10.935 -7.444 14.593 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.247 -6.771 11.925 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.316 -5.706 13.315 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -9.877 -6.562 10.464 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -7.630 -4.385 13.300 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -7.604 -5.316 10.918 1.00 0.00 H new ATOM 1861 N GLN A 117 -13.273 -7.667 15.540 1.00 0.00 N ATOM 1862 CA GLN A 117 -14.596 -8.015 16.136 1.00 0.00 C ATOM 1863 C GLN A 117 -15.430 -6.753 16.387 1.00 0.00 C ATOM 1864 O GLN A 117 -16.623 -6.832 16.605 1.00 0.00 O ATOM 1865 CB GLN A 117 -14.376 -8.747 17.460 1.00 0.00 C ATOM 1866 CG GLN A 117 -13.614 -7.837 18.428 1.00 0.00 C ATOM 1867 CD GLN A 117 -13.260 -8.618 19.694 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -12.883 -9.772 19.626 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -13.362 -8.033 20.856 1.00 0.00 N ATOM 0 H GLN A 117 -12.655 -7.120 16.140 1.00 0.00 H new ATOM 0 HA GLN A 117 -15.135 -8.655 15.438 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -15.335 -9.034 17.892 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.815 -9.666 17.291 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -12.707 -7.463 17.954 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.222 -6.969 18.682 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -13.678 -7.065 20.914 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -13.126 -8.544 21.707 1.00 0.00 H new ATOM 1878 N ALA A 118 -14.829 -5.594 16.368 1.00 0.00 N ATOM 1879 CA ALA A 118 -15.624 -4.354 16.619 1.00 0.00 C ATOM 1880 C ALA A 118 -14.952 -3.146 15.959 1.00 0.00 C ATOM 1881 O ALA A 118 -13.765 -3.143 15.705 1.00 0.00 O ATOM 1882 CB ALA A 118 -15.729 -4.115 18.127 1.00 0.00 C ATOM 0 H ALA A 118 -13.835 -5.451 16.192 1.00 0.00 H new ATOM 0 HA ALA A 118 -16.619 -4.481 16.193 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -16.309 -3.211 18.313 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -16.223 -4.966 18.597 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -14.730 -3.998 18.547 1.00 0.00 H new ATOM 1888 N TYR A 119 -15.712 -2.117 15.686 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.133 -0.900 15.049 1.00 0.00 C ATOM 1890 C TYR A 119 -15.749 0.351 15.683 1.00 0.00 C ATOM 1891 O TYR A 119 -16.813 0.300 16.266 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.451 -0.912 13.556 1.00 0.00 C ATOM 1893 CG TYR A 119 -16.927 -0.678 13.359 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -17.825 -1.742 13.493 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.399 0.601 13.035 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.195 -1.530 13.306 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.770 0.813 12.849 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.668 -0.251 12.984 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.020 -0.042 12.801 1.00 0.00 O ATOM 0 H TYR A 119 -16.713 -2.069 15.878 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.053 -0.892 15.197 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -14.877 -0.140 13.044 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.161 -1.867 13.118 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.460 -2.728 13.741 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.706 1.422 12.929 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -19.888 -2.352 13.410 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.135 1.799 12.601 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.179 0.900 12.584 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.095 1.476 15.565 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.652 2.728 16.155 1.00 0.00 C ATOM 1911 C ARG A 120 -15.374 3.913 15.232 1.00 0.00 C ATOM 1912 O ARG A 120 -14.383 3.951 14.531 1.00 0.00 O ATOM 1913 CB ARG A 120 -14.999 3.002 17.511 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.408 1.929 18.519 1.00 0.00 C ATOM 1915 CD ARG A 120 -14.821 2.272 19.889 1.00 0.00 C ATOM 1916 NE ARG A 120 -15.042 1.137 20.829 1.00 0.00 N ATOM 1917 CZ ARG A 120 -16.120 1.095 21.564 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -17.015 2.042 21.469 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -16.304 0.106 22.394 1.00 0.00 N ATOM 0 H ARG A 120 -14.201 1.582 15.086 1.00 0.00 H new ATOM 0 HA ARG A 120 -16.727 2.601 16.279 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.914 3.017 17.404 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.297 3.985 17.874 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.494 1.868 18.581 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.052 0.952 18.192 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -13.755 2.478 19.797 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.288 3.176 20.279 1.00 0.00 H new ATOM 0 HE ARG A 120 -14.349 0.391 20.898 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -16.872 2.816 20.820 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -17.857 2.008 22.044 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -15.606 -0.634 22.468 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -17.146 0.072 22.969 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.231 4.893 15.254 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.013 6.101 14.410 1.00 0.00 C ATOM 1935 C TRP A 121 -15.639 7.260 15.331 1.00 0.00 C ATOM 1936 O TRP A 121 -16.456 7.758 16.079 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.299 6.430 13.648 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.405 5.533 12.458 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.066 4.353 12.424 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.840 5.724 11.132 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -17.942 3.807 11.158 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.195 4.618 10.326 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -16.062 6.745 10.559 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.787 4.529 8.994 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.652 6.658 9.222 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -16.014 5.553 8.442 1.00 0.00 C ATOM 0 H TRP A 121 -17.078 4.910 15.823 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.216 5.926 13.688 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.165 6.298 14.297 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.293 7.473 13.333 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.603 3.910 13.250 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.351 2.917 10.875 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.779 7.601 11.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -17.067 3.675 8.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -15.054 7.447 8.791 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.695 5.492 7.412 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.400 7.674 15.311 1.00 0.00 N ATOM 1958 CA LEU A 122 -13.975 8.775 16.219 1.00 0.00 C ATOM 1959 C LEU A 122 -13.203 9.843 15.441 1.00 0.00 C ATOM 1960 O LEU A 122 -12.911 9.692 14.272 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.075 8.217 17.324 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.394 6.736 17.576 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.251 5.869 17.053 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.577 6.501 19.079 1.00 0.00 C ATOM 0 H LEU A 122 -13.668 7.299 14.708 1.00 0.00 H new ATOM 0 HA LEU A 122 -14.867 9.224 16.657 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.028 8.327 17.040 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.218 8.788 18.241 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.313 6.469 17.055 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.479 4.818 17.233 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.128 6.036 15.983 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.328 6.133 17.569 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.803 5.450 19.258 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.660 6.769 19.603 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.398 7.117 19.446 1.00 0.00 H new ATOM 1976 N GLY A 123 -12.874 10.923 16.097 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.122 12.012 15.420 1.00 0.00 C ATOM 1978 C GLY A 123 -10.626 11.699 15.455 1.00 0.00 C ATOM 1979 O GLY A 123 -10.208 10.652 15.906 1.00 0.00 O ATOM 0 H GLY A 123 -13.096 11.096 17.077 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.459 12.114 14.388 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.317 12.964 15.914 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.818 12.604 14.974 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.348 12.369 14.969 1.00 0.00 C ATOM 1985 C LEU A 124 -7.834 12.165 16.399 1.00 0.00 C ATOM 1986 O LEU A 124 -6.984 11.335 16.642 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.654 13.587 14.351 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.136 13.414 14.411 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.749 12.037 13.869 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.478 14.497 13.556 1.00 0.00 C ATOM 0 H LEU A 124 -10.115 13.498 14.583 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.130 11.473 14.387 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -7.973 13.711 13.316 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.946 14.491 14.885 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.800 13.499 15.445 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.666 11.919 13.914 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.224 11.262 14.471 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.081 11.947 12.835 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.395 14.381 13.593 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.818 14.403 12.525 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.751 15.480 13.940 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.333 12.922 17.338 1.00 0.00 N ATOM 2003 CA GLU A 125 -7.853 12.782 18.748 1.00 0.00 C ATOM 2004 C GLU A 125 -8.131 11.373 19.274 1.00 0.00 C ATOM 2005 O GLU A 125 -7.237 10.686 19.724 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.571 13.802 19.634 1.00 0.00 C ATOM 2007 CG GLU A 125 -10.056 13.441 19.748 1.00 0.00 C ATOM 2008 CD GLU A 125 -10.800 14.574 20.458 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -10.147 15.521 20.865 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -12.008 14.473 20.587 1.00 0.00 O ATOM 0 H GLU A 125 -9.051 13.631 17.193 1.00 0.00 H new ATOM 0 HA GLU A 125 -6.778 12.960 18.770 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.115 13.821 20.624 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.462 14.802 19.214 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.479 13.278 18.757 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.174 12.510 20.302 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.356 10.934 19.220 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.672 9.567 19.718 1.00 0.00 C ATOM 2020 C GLU A 126 -9.013 8.549 18.802 1.00 0.00 C ATOM 2021 O GLU A 126 -8.374 7.617 19.245 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.182 9.360 19.703 1.00 0.00 C ATOM 2023 CG GLU A 126 -11.752 9.523 21.113 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.122 10.733 21.803 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -10.096 10.563 22.442 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -11.685 11.810 21.695 1.00 0.00 O ATOM 0 H GLU A 126 -10.150 11.460 18.854 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.301 9.446 20.736 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.648 10.079 19.029 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.416 8.366 19.321 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -12.834 9.647 21.063 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.560 8.622 21.696 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.128 8.733 17.522 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.468 7.779 16.606 1.00 0.00 C ATOM 2036 C ALA A 127 -6.999 7.738 17.014 1.00 0.00 C ATOM 2037 O ALA A 127 -6.317 6.747 16.856 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.627 8.265 15.166 1.00 0.00 C ATOM 0 H ALA A 127 -9.643 9.492 17.077 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.907 6.783 16.665 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.141 7.563 14.489 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.687 8.332 14.920 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.167 9.248 15.061 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.525 8.817 17.580 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.119 8.873 18.057 1.00 0.00 C ATOM 2046 C CYS A 128 -5.039 8.188 19.423 1.00 0.00 C ATOM 2047 O CYS A 128 -4.109 7.463 19.715 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.688 10.335 18.207 1.00 0.00 C ATOM 2049 SG CYS A 128 -3.892 10.568 19.816 1.00 0.00 S ATOM 0 H CYS A 128 -7.062 9.671 17.732 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.465 8.372 17.343 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -4.000 10.606 17.406 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -5.554 10.991 18.119 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.524 11.808 19.943 1.00 0.00 H new ATOM 2055 N GLN A 129 -6.017 8.416 20.266 1.00 0.00 N ATOM 2056 CA GLN A 129 -6.002 7.782 21.613 1.00 0.00 C ATOM 2057 C GLN A 129 -6.088 6.262 21.460 1.00 0.00 C ATOM 2058 O GLN A 129 -5.322 5.525 22.050 1.00 0.00 O ATOM 2059 CB GLN A 129 -7.178 8.320 22.443 1.00 0.00 C ATOM 2060 CG GLN A 129 -8.422 7.444 22.286 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.301 6.206 23.177 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -7.238 5.905 23.683 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.361 5.478 23.401 1.00 0.00 N ATOM 0 H GLN A 129 -6.822 9.013 20.076 1.00 0.00 H new ATOM 0 HA GLN A 129 -5.074 8.025 22.131 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.893 8.364 23.494 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.408 9.339 22.132 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.313 8.011 22.555 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.537 7.144 21.245 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -10.253 5.731 22.976 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.297 4.656 24.001 1.00 0.00 H new ATOM 2072 N LEU A 130 -6.990 5.792 20.650 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.105 4.320 20.432 1.00 0.00 C ATOM 2074 C LEU A 130 -5.880 3.849 19.656 1.00 0.00 C ATOM 2075 O LEU A 130 -5.297 2.822 19.944 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.353 4.024 19.606 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.603 4.362 20.410 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.653 4.949 19.475 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.160 3.090 21.053 1.00 0.00 C ATOM 0 H LEU A 130 -7.655 6.361 20.127 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.171 3.807 21.392 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.335 4.605 18.684 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.368 2.972 19.319 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.351 5.083 21.188 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.550 5.193 20.043 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.261 5.853 19.009 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -10.900 4.221 18.702 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.054 3.334 21.627 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.414 2.370 20.275 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.410 2.659 21.715 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.483 4.607 18.671 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.294 4.228 17.869 1.00 0.00 C ATOM 2093 C ALA A 131 -3.036 4.621 18.640 1.00 0.00 C ATOM 2094 O ALA A 131 -2.171 5.308 18.134 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.333 4.962 16.530 1.00 0.00 C ATOM 0 H ALA A 131 -5.936 5.476 18.389 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.291 3.153 17.686 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.460 4.686 15.938 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.239 4.687 15.991 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.327 6.038 16.705 1.00 0.00 H new ATOM 2101 N GLN A 132 -2.948 4.198 19.871 1.00 0.00 N ATOM 2102 CA GLN A 132 -1.765 4.547 20.715 1.00 0.00 C ATOM 2103 C GLN A 132 -0.498 4.529 19.866 1.00 0.00 C ATOM 2104 O GLN A 132 0.404 5.315 20.069 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.606 3.526 21.849 1.00 0.00 C ATOM 2106 CG GLN A 132 -2.661 2.419 21.735 1.00 0.00 C ATOM 2107 CD GLN A 132 -3.935 2.830 22.481 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -3.855 3.642 23.500 1.00 0.00 O flip ATOM 2109 NE2 GLN A 132 -5.019 2.402 22.135 1.00 0.00 N flip ATOM 0 H GLN A 132 -3.650 3.621 20.334 1.00 0.00 H new ATOM 0 HA GLN A 132 -1.921 5.542 21.132 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.608 3.089 21.814 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -1.701 4.027 22.812 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -2.889 2.229 20.686 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.271 1.489 22.150 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -5.086 1.767 21.339 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -5.861 2.678 22.640 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.416 3.635 18.923 1.00 0.00 N ATOM 2119 CA PHE A 133 0.804 3.575 18.074 1.00 0.00 C ATOM 2120 C PHE A 133 1.069 4.957 17.475 1.00 0.00 C ATOM 2121 O PHE A 133 0.235 5.524 16.796 1.00 0.00 O ATOM 2122 CB PHE A 133 0.592 2.551 16.956 1.00 0.00 C ATOM 2123 CG PHE A 133 0.571 1.162 17.551 1.00 0.00 C ATOM 2124 CD1 PHE A 133 -0.536 0.733 18.294 1.00 0.00 C ATOM 2125 CD2 PHE A 133 1.665 0.308 17.370 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -0.551 -0.549 18.852 1.00 0.00 C ATOM 2127 CE2 PHE A 133 1.651 -0.975 17.931 1.00 0.00 C ATOM 2128 CZ PHE A 133 0.544 -1.404 18.671 1.00 0.00 C ATOM 0 H PHE A 133 -1.136 2.947 18.704 1.00 0.00 H new ATOM 0 HA PHE A 133 1.662 3.275 18.676 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.345 2.751 16.436 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.390 2.631 16.217 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -1.379 1.393 18.436 1.00 0.00 H new ATOM 0 HD2 PHE A 133 2.519 0.638 16.798 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.406 -0.880 19.422 1.00 0.00 H new ATOM 0 HE2 PHE A 133 2.495 -1.634 17.792 1.00 0.00 H new ATOM 0 HZ PHE A 133 0.534 -2.394 19.103 1.00 0.00 H new ATOM 2138 N LYS A 134 2.228 5.502 17.729 1.00 0.00 N ATOM 2139 CA LYS A 134 2.566 6.852 17.190 1.00 0.00 C ATOM 2140 C LYS A 134 2.453 6.847 15.666 1.00 0.00 C ATOM 2141 O LYS A 134 2.035 7.815 15.061 1.00 0.00 O ATOM 2142 CB LYS A 134 4.001 7.208 17.586 1.00 0.00 C ATOM 2143 CG LYS A 134 4.353 8.596 17.048 1.00 0.00 C ATOM 2144 CD LYS A 134 5.816 8.910 17.368 1.00 0.00 C ATOM 2145 CE LYS A 134 6.125 10.358 16.980 1.00 0.00 C ATOM 2146 NZ LYS A 134 5.990 10.519 15.505 1.00 0.00 N ATOM 0 H LYS A 134 2.960 5.067 18.290 1.00 0.00 H new ATOM 0 HA LYS A 134 1.873 7.586 17.600 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.104 7.191 18.671 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.693 6.466 17.188 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.189 8.633 15.971 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.702 9.347 17.495 1.00 0.00 H new ATOM 0 HD2 LYS A 134 6.007 8.758 18.430 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.472 8.229 16.826 1.00 0.00 H new ATOM 0 HE2 LYS A 134 5.444 11.036 17.494 1.00 0.00 H new ATOM 0 HE3 LYS A 134 7.135 10.622 17.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 6.407 11.427 15.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 6.485 9.741 15.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 4.983 10.502 15.245 1.00 0.00 H new ATOM 2160 N GLU A 135 2.837 5.773 15.046 1.00 0.00 N ATOM 2161 CA GLU A 135 2.771 5.704 13.559 1.00 0.00 C ATOM 2162 C GLU A 135 1.345 5.979 13.100 1.00 0.00 C ATOM 2163 O GLU A 135 1.110 6.698 12.151 1.00 0.00 O ATOM 2164 CB GLU A 135 3.142 4.294 13.116 1.00 0.00 C ATOM 2165 CG GLU A 135 4.326 3.805 13.941 1.00 0.00 C ATOM 2166 CD GLU A 135 4.732 2.414 13.462 1.00 0.00 C ATOM 2167 OE1 GLU A 135 5.747 1.919 13.923 1.00 0.00 O ATOM 2168 OE2 GLU A 135 4.017 1.866 12.640 1.00 0.00 O ATOM 0 H GLU A 135 3.196 4.935 15.503 1.00 0.00 H new ATOM 0 HA GLU A 135 3.453 6.439 13.132 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.292 3.624 13.245 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.395 4.288 12.056 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.163 4.496 13.842 1.00 0.00 H new ATOM 0 HG3 GLU A 135 4.061 3.776 14.998 1.00 0.00 H new ATOM 2176 N MET A 136 0.393 5.397 13.767 1.00 0.00 N ATOM 2177 CA MET A 136 -1.020 5.601 13.373 1.00 0.00 C ATOM 2178 C MET A 136 -1.464 6.991 13.803 1.00 0.00 C ATOM 2179 O MET A 136 -2.055 7.727 13.041 1.00 0.00 O ATOM 2180 CB MET A 136 -1.865 4.539 14.051 1.00 0.00 C ATOM 2181 CG MET A 136 -1.296 3.159 13.714 1.00 0.00 C ATOM 2182 SD MET A 136 -1.054 3.012 11.926 1.00 0.00 S ATOM 2183 CE MET A 136 -2.722 3.480 11.413 1.00 0.00 C ATOM 0 H MET A 136 0.535 4.786 14.572 1.00 0.00 H new ATOM 0 HA MET A 136 -1.134 5.519 12.292 1.00 0.00 H new ATOM 0 HB2 MET A 136 -1.867 4.692 15.130 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.900 4.611 13.717 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.348 3.011 14.231 1.00 0.00 H new ATOM 0 HG3 MET A 136 -1.975 2.381 14.063 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.990 2.936 10.507 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.429 3.235 12.206 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.755 4.552 11.216 1.00 0.00 H new ATOM 2193 N LYS A 137 -1.154 7.378 15.007 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.537 8.740 15.444 1.00 0.00 C ATOM 2195 C LYS A 137 -0.923 9.710 14.449 1.00 0.00 C ATOM 2196 O LYS A 137 -1.487 10.736 14.133 1.00 0.00 O ATOM 2197 CB LYS A 137 -1.009 9.002 16.855 1.00 0.00 C ATOM 2198 CG LYS A 137 -1.895 8.257 17.855 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.040 7.572 18.922 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.399 8.606 19.850 1.00 0.00 C ATOM 2201 NZ LYS A 137 -1.059 9.931 19.673 1.00 0.00 N ATOM 0 H LYS A 137 -0.658 6.815 15.698 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.620 8.858 15.473 1.00 0.00 H new ATOM 0 HB2 LYS A 137 0.024 8.665 16.941 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -1.014 10.071 17.068 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -2.586 8.955 18.327 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.499 7.515 17.333 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -1.656 6.887 19.504 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.264 6.975 18.444 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -0.489 8.281 20.887 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.666 8.690 19.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -0.751 10.576 20.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -0.796 10.329 18.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -2.091 9.813 19.718 1.00 0.00 H new ATOM 2215 N ALA A 138 0.223 9.357 13.923 1.00 0.00 N ATOM 2216 CA ALA A 138 0.880 10.217 12.909 1.00 0.00 C ATOM 2217 C ALA A 138 0.182 10.004 11.564 1.00 0.00 C ATOM 2218 O ALA A 138 -0.151 10.942 10.866 1.00 0.00 O ATOM 2219 CB ALA A 138 2.349 9.831 12.777 1.00 0.00 C ATOM 0 H ALA A 138 0.730 8.504 14.158 1.00 0.00 H new ATOM 0 HA ALA A 138 0.811 11.262 13.212 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.826 10.466 12.031 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.847 9.962 13.737 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.425 8.788 12.468 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.054 8.766 11.201 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.745 8.485 9.911 1.00 0.00 C ATOM 2227 C ALA A 139 -2.098 9.182 9.936 1.00 0.00 C ATOM 2228 O ALA A 139 -2.465 9.896 9.025 1.00 0.00 O ATOM 2229 CB ALA A 139 -0.961 6.976 9.759 1.00 0.00 C ATOM 0 H ALA A 139 0.203 7.942 11.744 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.142 8.845 9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.467 6.774 8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.003 6.467 9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.573 6.611 10.584 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.826 9.001 10.998 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.144 9.671 11.122 1.00 0.00 C ATOM 2237 C LEU A 140 -3.892 11.179 11.148 1.00 0.00 C ATOM 2238 O LEU A 140 -4.710 11.974 10.730 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.808 9.232 12.432 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.909 7.702 12.472 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.894 7.217 13.923 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.213 7.255 11.811 1.00 0.00 C ATOM 0 H LEU A 140 -2.563 8.414 11.790 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.798 9.409 10.290 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.228 9.590 13.283 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.801 9.674 12.514 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.060 7.278 11.937 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -4.966 6.130 13.944 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -3.965 7.528 14.401 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.740 7.647 14.459 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.282 6.168 11.841 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.059 7.687 12.346 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.229 7.591 10.774 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.746 11.564 11.654 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.388 13.011 11.739 1.00 0.00 C ATOM 2256 C GLN A 141 -1.963 13.546 10.372 1.00 0.00 C ATOM 2257 O GLN A 141 -2.465 14.549 9.906 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.212 13.157 12.707 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.708 13.674 14.055 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.979 15.176 13.951 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -2.300 15.690 12.795 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -1.896 15.889 14.932 1.00 0.00 N flip ATOM 0 H GLN A 141 -2.036 10.928 12.016 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.256 13.574 12.082 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.716 12.195 12.837 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.473 13.844 12.294 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.617 13.148 14.347 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.965 13.479 14.828 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -1.645 15.487 15.835 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -2.077 16.890 14.852 1.00 0.00 H new ATOM 2271 N GLU A 142 -1.028 12.897 9.732 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.562 13.392 8.407 1.00 0.00 C ATOM 2273 C GLU A 142 -1.699 13.289 7.391 1.00 0.00 C ATOM 2274 O GLU A 142 -1.884 14.160 6.565 1.00 0.00 O ATOM 2275 CB GLU A 142 0.634 12.555 7.943 1.00 0.00 C ATOM 2276 CG GLU A 142 1.797 12.736 8.925 1.00 0.00 C ATOM 2277 CD GLU A 142 2.229 14.206 8.937 1.00 0.00 C ATOM 2278 OE1 GLU A 142 2.888 14.600 9.886 1.00 0.00 O ATOM 2279 OE2 GLU A 142 1.898 14.908 7.997 1.00 0.00 O ATOM 0 H GLU A 142 -0.569 12.050 10.068 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.258 14.435 8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.354 11.503 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 142 0.939 12.860 6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 142 1.494 12.426 9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 142 2.635 12.102 8.635 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.473 12.240 7.449 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.602 12.109 6.488 1.00 0.00 C ATOM 2289 C GLY A 143 -4.524 13.315 6.653 1.00 0.00 C ATOM 2290 O GLY A 143 -4.894 13.965 5.696 1.00 0.00 O ATOM 0 H GLY A 143 -2.373 11.474 8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.225 12.058 5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.151 11.185 6.672 1.00 0.00 H new ATOM 2294 N HIS A 144 -4.883 13.632 7.869 1.00 0.00 N ATOM 2295 CA HIS A 144 -5.764 14.807 8.103 1.00 0.00 C ATOM 2296 C HIS A 144 -5.022 16.073 7.674 1.00 0.00 C ATOM 2297 O HIS A 144 -5.574 16.951 7.045 1.00 0.00 O ATOM 2298 CB HIS A 144 -6.105 14.907 9.591 1.00 0.00 C ATOM 2299 CG HIS A 144 -7.133 15.986 9.795 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -8.504 15.974 9.718 1.00 0.00 N flip ATOM 2301 CD2 HIS A 144 -6.783 17.289 10.115 1.00 0.00 C flip ATOM 2302 CE1 HIS A 144 -8.995 17.247 9.987 1.00 0.00 C flip ATOM 2303 NE2 HIS A 144 -7.920 18.001 10.219 1.00 0.00 N flip ATOM 0 H HIS A 144 -4.603 13.126 8.709 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.683 14.696 7.528 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.487 13.952 9.953 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.207 15.131 10.167 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -5.780 17.664 10.255 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -10.029 17.559 10.004 1.00 0.00 H new ATOM 0 HE2 HIS A 144 -7.955 18.995 10.447 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.769 16.167 8.024 1.00 0.00 N ATOM 2313 CA GLN A 145 -2.976 17.370 7.651 1.00 0.00 C ATOM 2314 C GLN A 145 -2.997 17.554 6.132 1.00 0.00 C ATOM 2315 O GLN A 145 -3.137 18.652 5.633 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.528 17.181 8.114 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.753 18.480 7.898 1.00 0.00 C ATOM 2318 CD GLN A 145 -1.216 19.527 8.914 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -1.562 20.633 8.546 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.239 19.225 10.183 1.00 0.00 N ATOM 0 H GLN A 145 -3.259 15.460 8.554 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.408 18.250 8.128 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.505 16.902 9.167 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -1.060 16.369 7.558 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.316 18.300 8.007 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -0.913 18.847 6.884 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -0.949 18.297 10.492 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -1.547 19.917 10.866 1.00 0.00 H new ATOM 2329 N PHE A 146 -2.854 16.488 5.393 1.00 0.00 N ATOM 2330 CA PHE A 146 -2.860 16.608 3.907 1.00 0.00 C ATOM 2331 C PHE A 146 -4.265 16.945 3.401 1.00 0.00 C ATOM 2332 O PHE A 146 -4.443 17.852 2.614 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.396 15.294 3.286 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.464 15.412 1.786 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -1.369 15.902 1.066 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -3.631 15.037 1.116 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -1.444 16.014 -0.326 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -3.708 15.151 -0.274 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.613 15.637 -0.998 1.00 0.00 C ATOM 0 H PHE A 146 -2.734 15.541 5.753 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.182 17.411 3.619 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.377 15.068 3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.025 14.472 3.628 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -0.467 16.193 1.584 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -4.475 14.658 1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -0.599 16.392 -0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -4.612 14.864 -0.790 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.670 15.721 -2.073 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.264 16.222 3.833 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.645 16.514 3.357 1.00 0.00 C ATOM 2351 C LEU A 147 -6.968 17.987 3.606 1.00 0.00 C ATOM 2352 O LEU A 147 -7.622 18.632 2.811 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.653 15.624 4.092 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.405 14.159 3.720 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.426 13.269 4.430 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.559 13.982 2.208 1.00 0.00 C ATOM 0 H LEU A 147 -5.183 15.447 4.491 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.709 16.306 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.556 15.759 5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.670 15.911 3.826 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.397 13.878 4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.248 12.227 4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.327 13.390 5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.433 13.554 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.382 12.939 1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.568 14.266 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.836 14.614 1.692 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.497 18.532 4.690 1.00 0.00 N ATOM 2369 CA CYS A 148 -6.761 19.969 4.969 1.00 0.00 C ATOM 2370 C CYS A 148 -5.842 20.811 4.082 1.00 0.00 C ATOM 2371 O CYS A 148 -5.974 22.017 3.992 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.471 20.266 6.443 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.674 19.396 7.480 1.00 0.00 S ATOM 0 H CYS A 148 -5.942 18.046 5.394 1.00 0.00 H new ATOM 0 HA CYS A 148 -7.803 20.208 4.759 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.459 19.950 6.697 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.525 21.339 6.627 1.00 0.00 H new ATOM 0 HG CYS A 148 -7.249 19.369 8.708 1.00 0.00 H new ATOM 2379 N SER A 149 -4.903 20.177 3.428 1.00 0.00 N ATOM 2380 CA SER A 149 -3.960 20.923 2.549 1.00 0.00 C ATOM 2381 C SER A 149 -4.502 20.979 1.119 1.00 0.00 C ATOM 2382 O SER A 149 -4.027 21.739 0.298 1.00 0.00 O ATOM 2383 CB SER A 149 -2.610 20.206 2.540 1.00 0.00 C ATOM 2384 OG SER A 149 -1.571 21.162 2.384 1.00 0.00 O ATOM 0 H SER A 149 -4.750 19.169 3.467 1.00 0.00 H new ATOM 0 HA SER A 149 -3.847 21.938 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 149 -2.473 19.652 3.469 1.00 0.00 H new ATOM 0 HB3 SER A 149 -2.576 19.480 1.728 1.00 0.00 H new ATOM 0 HG SER A 149 -0.704 20.705 2.379 1.00 0.00 H new ATOM 2390 N ILE A 150 -5.478 20.174 0.804 1.00 0.00 N ATOM 2391 CA ILE A 150 -6.022 20.184 -0.581 1.00 0.00 C ATOM 2392 C ILE A 150 -6.891 21.426 -0.779 1.00 0.00 C ATOM 2393 O ILE A 150 -6.466 22.540 -0.550 1.00 0.00 O ATOM 2394 CB ILE A 150 -6.863 18.923 -0.824 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.315 17.758 0.003 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -6.791 18.556 -2.306 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.234 16.543 -0.161 1.00 0.00 C ATOM 0 H ILE A 150 -5.920 19.513 1.443 1.00 0.00 H new ATOM 0 HA ILE A 150 -5.194 20.201 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 150 -7.895 19.118 -0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.304 17.510 -0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.252 18.041 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -7.386 17.661 -2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -7.182 19.379 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -5.754 18.366 -2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -6.846 15.711 0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.236 16.796 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.274 16.257 -1.212 1.00 0.00 H new