USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=21 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 : no HE2:sc= -0.491 K(o=-0.0077,f=-0.86) USER MOD Set 1.2: A 148 CYS SG : rot 83:sc= 0.483 USER MOD Set 2.1: A 113 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 116 HIS : no HD1:sc= -2.98 K(o=-3,f=-1.4) USER MOD Set 3.1: A 86 ASN : amide:sc= -10.4! K(o=-10!,f=-1.8) USER MOD Set 3.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 47 LYS NZ :NH3+ -147:sc= -3.67! (180deg=-6.09!) USER MOD Single : A 11 CYS SG : rot 34:sc= -1.38 USER MOD Single : A 35 GLN : amide:sc= -2.11! C(o=-2.1!,f=-6.5!) USER MOD Single : A 42 HIS : no HE2:sc= -0.865 K(o=-0.87,f=-2.1!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 59 THR OG1 : rot 61:sc= -1.28! USER MOD Single : A 64 THR OG1 : rot 65:sc= -4.5! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 74 GLN : amide:sc= -2.39 X(o=-2.4,f=-2.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -139:sc= -4.44! (180deg=-5.98!) USER MOD Single : A 98 TYR OH : rot 173:sc= -0.729 USER MOD Single : A 104 LYS NZ :NH3+ 138:sc= 0.235 (180deg=-1.29!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 117 GLN : amide:sc= -2.21! C(o=-2.2!,f=-1.9!) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 180:sc= -1.86 USER MOD Single : A 129 GLN : amide:sc= -7.04! C(o=-7!,f=-10!) USER MOD Single : A 132 GLN : amide:sc= -3.56! C(o=-3.6!,f=-2.5!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -159:sc= -1.19 (180deg=-3) USER MOD Single : A 137 LYS NZ :NH3+ 173:sc= -5.06! (180deg=-5.52!) USER MOD Single : A 141 GLN : amide:sc= -4.36! K(o=-4.4!,f=-1.1) USER MOD Single : A 145 GLN : amide:sc= -0.0847 X(o=-0.085,f=-0.2) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N LEU A 8 7.559 -8.181 4.878 1.00 0.00 N ATOM 87 CA LEU A 8 6.267 -8.582 4.255 1.00 0.00 C ATOM 88 C LEU A 8 5.596 -7.349 3.647 1.00 0.00 C ATOM 89 O LEU A 8 5.587 -6.286 4.237 1.00 0.00 O ATOM 90 CB LEU A 8 5.331 -9.180 5.310 1.00 0.00 C ATOM 91 CG LEU A 8 6.143 -9.816 6.444 1.00 0.00 C ATOM 92 CD1 LEU A 8 6.842 -8.723 7.253 1.00 0.00 C ATOM 93 CD2 LEU A 8 5.196 -10.582 7.370 1.00 0.00 C ATOM 0 HA LEU A 8 6.465 -9.326 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.681 -8.403 5.711 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.686 -9.929 4.851 1.00 0.00 H new ATOM 0 HG LEU A 8 6.886 -10.492 6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.418 -9.179 8.058 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.511 -8.160 6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.096 -8.050 7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.767 -11.037 8.179 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.460 -9.895 7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.685 -11.361 6.804 1.00 0.00 H new ATOM 105 N ARG A 9 5.022 -7.478 2.486 1.00 0.00 N ATOM 106 CA ARG A 9 4.342 -6.308 1.867 1.00 0.00 C ATOM 107 C ARG A 9 2.907 -6.241 2.393 1.00 0.00 C ATOM 108 O ARG A 9 2.207 -7.235 2.434 1.00 0.00 O ATOM 109 CB ARG A 9 4.327 -6.465 0.345 1.00 0.00 C ATOM 110 CG ARG A 9 3.959 -5.126 -0.299 1.00 0.00 C ATOM 111 CD ARG A 9 3.803 -5.311 -1.809 1.00 0.00 C ATOM 112 NE ARG A 9 5.107 -5.725 -2.396 1.00 0.00 N ATOM 113 CZ ARG A 9 5.398 -5.415 -3.631 1.00 0.00 C ATOM 114 NH1 ARG A 9 4.544 -4.745 -4.358 1.00 0.00 N ATOM 115 NH2 ARG A 9 6.544 -5.775 -4.141 1.00 0.00 N ATOM 0 H ARG A 9 4.994 -8.339 1.940 1.00 0.00 H new ATOM 0 HA ARG A 9 4.874 -5.392 2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.304 -6.795 -0.008 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.608 -7.231 0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.031 -4.747 0.129 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.732 -4.386 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.043 -6.064 -2.017 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.465 -4.382 -2.267 1.00 0.00 H new ATOM 0 HE ARG A 9 5.774 -6.252 -1.833 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.648 -4.463 -3.961 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.774 -4.504 -5.322 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.212 -6.298 -3.575 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.772 -5.533 -5.105 1.00 0.00 H new ATOM 129 N ALA A 10 2.459 -5.088 2.804 1.00 0.00 N ATOM 130 CA ALA A 10 1.068 -4.984 3.332 1.00 0.00 C ATOM 131 C ALA A 10 0.445 -3.664 2.899 1.00 0.00 C ATOM 132 O ALA A 10 1.131 -2.704 2.603 1.00 0.00 O ATOM 133 CB ALA A 10 1.092 -5.041 4.860 1.00 0.00 C ATOM 0 H ALA A 10 2.991 -4.218 2.798 1.00 0.00 H new ATOM 0 HA ALA A 10 0.480 -5.813 2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.074 -4.965 5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.531 -5.985 5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.688 -4.214 5.246 1.00 0.00 H new ATOM 139 N CYS A 11 -0.855 -3.604 2.867 1.00 0.00 N ATOM 140 CA CYS A 11 -1.525 -2.341 2.464 1.00 0.00 C ATOM 141 C CYS A 11 -2.850 -2.208 3.209 1.00 0.00 C ATOM 142 O CYS A 11 -3.710 -3.065 3.129 1.00 0.00 O ATOM 143 CB CYS A 11 -1.787 -2.363 0.960 1.00 0.00 C ATOM 144 SG CYS A 11 -0.505 -1.407 0.114 1.00 0.00 S ATOM 0 H CYS A 11 -1.481 -4.374 3.102 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.884 -1.494 2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -1.791 -3.390 0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.770 -1.945 0.745 1.00 0.00 H new ATOM 0 HG CYS A 11 0.622 -1.536 0.748 1.00 0.00 H new ATOM 150 N GLY A 12 -3.024 -1.133 3.919 1.00 0.00 N ATOM 151 CA GLY A 12 -4.297 -0.915 4.661 1.00 0.00 C ATOM 152 C GLY A 12 -4.941 0.366 4.144 1.00 0.00 C ATOM 153 O GLY A 12 -4.376 1.053 3.316 1.00 0.00 O ATOM 0 H GLY A 12 -2.334 -0.388 4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.969 -1.762 4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.104 -0.838 5.731 1.00 0.00 H new ATOM 157 N LEU A 13 -6.114 0.699 4.605 1.00 0.00 N ATOM 158 CA LEU A 13 -6.764 1.941 4.102 1.00 0.00 C ATOM 159 C LEU A 13 -7.111 2.880 5.254 1.00 0.00 C ATOM 160 O LEU A 13 -7.945 2.574 6.084 1.00 0.00 O ATOM 161 CB LEU A 13 -8.065 1.574 3.369 1.00 0.00 C ATOM 162 CG LEU A 13 -7.992 2.002 1.901 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.373 1.900 1.253 1.00 0.00 C ATOM 164 CD2 LEU A 13 -7.507 3.446 1.802 1.00 0.00 C ATOM 0 H LEU A 13 -6.645 0.173 5.299 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.068 2.441 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.234 0.499 3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.912 2.059 3.854 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.295 1.342 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.309 2.207 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.725 0.870 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.071 2.550 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.458 3.742 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.200 4.100 2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.516 3.529 2.249 1.00 0.00 H new ATOM 176 N ILE A 14 -6.535 4.051 5.274 1.00 0.00 N ATOM 177 CA ILE A 14 -6.905 5.023 6.333 1.00 0.00 C ATOM 178 C ILE A 14 -8.167 5.719 5.844 1.00 0.00 C ATOM 179 O ILE A 14 -8.132 6.598 5.007 1.00 0.00 O ATOM 180 CB ILE A 14 -5.779 6.034 6.570 1.00 0.00 C ATOM 181 CG1 ILE A 14 -4.647 5.336 7.325 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.303 7.202 7.407 1.00 0.00 C ATOM 183 CD1 ILE A 14 -3.425 6.253 7.403 1.00 0.00 C ATOM 0 H ILE A 14 -5.831 4.372 4.609 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.073 4.522 7.286 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.415 6.414 5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.978 5.072 8.329 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.382 4.406 6.821 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.499 7.919 7.574 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.121 7.690 6.878 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.662 6.830 8.367 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.624 5.747 7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.087 6.495 6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.692 7.171 7.927 1.00 0.00 H new ATOM 195 N ILE A 15 -9.284 5.281 6.331 1.00 0.00 N ATOM 196 CA ILE A 15 -10.582 5.840 5.880 1.00 0.00 C ATOM 197 C ILE A 15 -10.974 7.035 6.734 1.00 0.00 C ATOM 198 O ILE A 15 -10.810 7.034 7.936 1.00 0.00 O ATOM 199 CB ILE A 15 -11.616 4.729 6.019 1.00 0.00 C ATOM 200 CG1 ILE A 15 -11.237 3.585 5.083 1.00 0.00 C ATOM 201 CG2 ILE A 15 -13.017 5.231 5.676 1.00 0.00 C ATOM 202 CD1 ILE A 15 -11.954 2.308 5.511 1.00 0.00 C ATOM 0 H ILE A 15 -9.356 4.546 7.035 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.516 6.185 4.848 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.627 4.386 7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.506 3.838 4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.158 3.431 5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.732 4.416 5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.288 6.043 6.350 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.032 5.593 4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.680 1.494 4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.663 2.051 6.530 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.032 2.465 5.470 1.00 0.00 H new ATOM 214 N PHE A 16 -11.504 8.052 6.114 1.00 0.00 N ATOM 215 CA PHE A 16 -11.922 9.252 6.874 1.00 0.00 C ATOM 216 C PHE A 16 -13.288 9.722 6.375 1.00 0.00 C ATOM 217 O PHE A 16 -13.461 10.044 5.218 1.00 0.00 O ATOM 218 CB PHE A 16 -10.894 10.362 6.668 1.00 0.00 C ATOM 219 CG PHE A 16 -10.931 10.837 5.232 1.00 0.00 C ATOM 220 CD1 PHE A 16 -10.129 10.215 4.266 1.00 0.00 C ATOM 221 CD2 PHE A 16 -11.760 11.905 4.872 1.00 0.00 C ATOM 222 CE1 PHE A 16 -10.156 10.662 2.940 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.787 12.353 3.545 1.00 0.00 C ATOM 224 CZ PHE A 16 -10.986 11.733 2.581 1.00 0.00 C ATOM 0 H PHE A 16 -11.665 8.099 5.108 1.00 0.00 H new ATOM 0 HA PHE A 16 -11.989 9.008 7.934 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -11.104 11.193 7.341 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.897 9.997 6.914 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.490 9.390 4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -12.379 12.384 5.617 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.539 10.183 2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.427 13.177 3.266 1.00 0.00 H new ATOM 0 HZ PHE A 16 -11.007 12.080 1.558 1.00 0.00 H new ATOM 234 N ARG A 17 -14.261 9.783 7.243 1.00 0.00 N ATOM 235 CA ARG A 17 -15.609 10.245 6.816 1.00 0.00 C ATOM 236 C ARG A 17 -15.639 11.773 6.835 1.00 0.00 C ATOM 237 O ARG A 17 -15.459 12.389 7.867 1.00 0.00 O ATOM 238 CB ARG A 17 -16.661 9.706 7.788 1.00 0.00 C ATOM 239 CG ARG A 17 -18.062 10.037 7.269 1.00 0.00 C ATOM 240 CD ARG A 17 -19.074 9.879 8.406 1.00 0.00 C ATOM 241 NE ARG A 17 -18.924 11.016 9.359 1.00 0.00 N ATOM 242 CZ ARG A 17 -19.228 10.863 10.622 1.00 0.00 C ATOM 243 NH1 ARG A 17 -19.669 9.715 11.055 1.00 0.00 N ATOM 244 NH2 ARG A 17 -19.091 11.861 11.452 1.00 0.00 N ATOM 0 H ARG A 17 -14.179 9.533 8.228 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.823 9.883 5.811 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.549 8.627 7.898 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.516 10.144 8.775 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -18.088 11.056 6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -18.321 9.376 6.442 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -20.088 9.856 8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -18.914 8.933 8.922 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.583 11.917 9.025 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -19.778 8.934 10.408 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -19.905 9.598 12.040 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -18.747 12.760 11.116 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.328 11.742 12.437 1.00 0.00 H new ATOM 258 N ARG A 18 -15.865 12.391 5.711 1.00 0.00 N ATOM 259 CA ARG A 18 -15.903 13.879 5.682 1.00 0.00 C ATOM 260 C ARG A 18 -17.344 14.361 5.865 1.00 0.00 C ATOM 261 O ARG A 18 -18.260 13.861 5.245 1.00 0.00 O ATOM 262 CB ARG A 18 -15.360 14.383 4.345 1.00 0.00 C ATOM 263 CG ARG A 18 -15.287 15.911 4.370 1.00 0.00 C ATOM 264 CD ARG A 18 -14.639 16.410 3.076 1.00 0.00 C ATOM 265 NE ARG A 18 -15.539 16.112 1.926 1.00 0.00 N ATOM 266 CZ ARG A 18 -16.647 16.782 1.773 1.00 0.00 C ATOM 267 NH1 ARG A 18 -16.975 17.711 2.629 1.00 0.00 N ATOM 268 NH2 ARG A 18 -17.434 16.520 0.764 1.00 0.00 N ATOM 0 H ARG A 18 -16.025 11.933 4.814 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.286 14.269 6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.371 13.964 4.160 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -16.004 14.052 3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.287 16.332 4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.709 16.244 5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.454 17.482 3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.673 15.927 2.930 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.288 15.383 1.258 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.364 17.914 3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.842 18.234 2.507 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.182 15.791 0.096 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.301 17.044 0.644 1.00 0.00 H new ATOM 434 N ILE A 29 -13.965 15.528 10.539 1.00 0.00 N ATOM 435 CA ILE A 29 -13.494 14.291 9.862 1.00 0.00 C ATOM 436 C ILE A 29 -13.274 13.180 10.885 1.00 0.00 C ATOM 437 O ILE A 29 -12.635 13.366 11.900 1.00 0.00 O ATOM 438 CB ILE A 29 -12.185 14.580 9.125 1.00 0.00 C ATOM 439 CG1 ILE A 29 -12.481 15.475 7.924 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.566 13.272 8.643 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.275 16.373 7.638 1.00 0.00 C ATOM 0 HA ILE A 29 -14.251 13.966 9.148 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.487 15.079 9.798 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.707 14.864 7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.362 16.086 8.122 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.634 13.482 8.119 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.364 12.628 9.499 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.258 12.770 7.967 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.491 17.010 6.780 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.070 16.995 8.509 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.404 15.754 7.421 1.00 0.00 H new ATOM 453 N GLU A 30 -13.798 12.020 10.609 1.00 0.00 N ATOM 454 CA GLU A 30 -13.626 10.870 11.541 1.00 0.00 C ATOM 455 C GLU A 30 -12.959 9.730 10.776 1.00 0.00 C ATOM 456 O GLU A 30 -13.029 9.671 9.570 1.00 0.00 O ATOM 457 CB GLU A 30 -14.993 10.413 12.054 1.00 0.00 C ATOM 458 CG GLU A 30 -15.672 11.565 12.794 1.00 0.00 C ATOM 459 CD GLU A 30 -17.008 11.090 13.365 1.00 0.00 C ATOM 460 OE1 GLU A 30 -17.433 10.006 13.000 1.00 0.00 O ATOM 461 OE2 GLU A 30 -17.585 11.816 14.158 1.00 0.00 O ATOM 0 H GLU A 30 -14.343 11.817 9.771 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.011 11.164 12.392 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.615 10.085 11.221 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.876 9.558 12.720 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.029 11.924 13.597 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.832 12.403 12.115 1.00 0.00 H new ATOM 469 N PHE A 31 -12.300 8.830 11.456 1.00 0.00 N ATOM 470 CA PHE A 31 -11.624 7.715 10.733 1.00 0.00 C ATOM 471 C PHE A 31 -12.247 6.374 11.119 1.00 0.00 C ATOM 472 O PHE A 31 -12.745 6.199 12.213 1.00 0.00 O ATOM 473 CB PHE A 31 -10.135 7.703 11.092 1.00 0.00 C ATOM 474 CG PHE A 31 -9.507 9.023 10.708 1.00 0.00 C ATOM 475 CD1 PHE A 31 -9.086 9.243 9.389 1.00 0.00 C ATOM 476 CD2 PHE A 31 -9.344 10.027 11.669 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.505 10.466 9.035 1.00 0.00 C ATOM 478 CE2 PHE A 31 -8.761 11.250 11.313 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.343 11.467 9.997 1.00 0.00 C ATOM 0 H PHE A 31 -12.201 8.818 12.471 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.747 7.867 9.661 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.010 7.527 12.160 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.633 6.886 10.574 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.210 8.469 8.646 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.668 9.859 12.686 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.182 10.636 8.019 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.635 12.025 12.055 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.894 12.410 9.723 1.00 0.00 H new ATOM 489 N LEU A 32 -12.212 5.419 10.224 1.00 0.00 N ATOM 490 CA LEU A 32 -12.789 4.082 10.541 1.00 0.00 C ATOM 491 C LEU A 32 -11.754 3.258 11.302 1.00 0.00 C ATOM 492 O LEU A 32 -10.633 3.084 10.865 1.00 0.00 O ATOM 493 CB LEU A 32 -13.163 3.357 9.241 1.00 0.00 C ATOM 494 CG LEU A 32 -13.581 1.917 9.554 1.00 0.00 C ATOM 495 CD1 LEU A 32 -14.783 1.920 10.494 1.00 0.00 C ATOM 496 CD2 LEU A 32 -13.963 1.203 8.259 1.00 0.00 C ATOM 0 H LEU A 32 -11.810 5.509 9.291 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.683 4.207 11.152 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -13.978 3.882 8.742 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.315 3.359 8.556 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.747 1.400 10.029 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.076 0.893 10.713 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.518 2.428 11.421 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.615 2.441 10.020 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.260 0.178 8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.794 1.727 7.786 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.108 1.193 7.583 1.00 0.00 H new ATOM 508 N LEU A 33 -12.126 2.749 12.442 1.00 0.00 N ATOM 509 CA LEU A 33 -11.174 1.931 13.241 1.00 0.00 C ATOM 510 C LEU A 33 -11.815 0.590 13.581 1.00 0.00 C ATOM 511 O LEU A 33 -12.965 0.517 13.965 1.00 0.00 O ATOM 512 CB LEU A 33 -10.809 2.680 14.523 1.00 0.00 C ATOM 513 CG LEU A 33 -9.686 3.678 14.225 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.602 4.708 15.347 1.00 0.00 C ATOM 515 CD2 LEU A 33 -8.355 2.932 14.125 1.00 0.00 C ATOM 0 H LEU A 33 -13.051 2.865 12.856 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.267 1.754 12.662 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.682 3.203 14.913 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.490 1.975 15.291 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.896 4.184 13.283 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.802 5.416 15.132 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.549 5.242 15.422 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.395 4.202 16.290 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.555 3.642 13.913 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.150 2.425 15.068 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.410 2.196 13.323 1.00 0.00 H new ATOM 527 N LEU A 34 -11.076 -0.471 13.437 1.00 0.00 N ATOM 528 CA LEU A 34 -11.631 -1.817 13.742 1.00 0.00 C ATOM 529 C LEU A 34 -11.046 -2.320 15.063 1.00 0.00 C ATOM 530 O LEU A 34 -9.877 -2.141 15.345 1.00 0.00 O ATOM 531 CB LEU A 34 -11.262 -2.764 12.603 1.00 0.00 C ATOM 532 CG LEU A 34 -11.743 -2.163 11.280 1.00 0.00 C ATOM 533 CD1 LEU A 34 -11.429 -3.119 10.133 1.00 0.00 C ATOM 534 CD2 LEU A 34 -13.251 -1.934 11.345 1.00 0.00 C ATOM 0 H LEU A 34 -10.107 -0.465 13.120 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.716 -1.769 13.837 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.183 -2.918 12.576 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.720 -3.740 12.762 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.233 -1.215 11.111 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.774 -2.686 9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -10.353 -3.286 10.083 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.936 -4.069 10.302 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.595 -1.506 10.403 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.756 -2.884 11.518 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.480 -1.248 12.160 1.00 0.00 H new ATOM 546 N GLN A 35 -11.852 -2.939 15.881 1.00 0.00 N ATOM 547 CA GLN A 35 -11.350 -3.445 17.189 1.00 0.00 C ATOM 548 C GLN A 35 -10.562 -4.738 16.973 1.00 0.00 C ATOM 549 O GLN A 35 -10.878 -5.536 16.114 1.00 0.00 O ATOM 550 CB GLN A 35 -12.535 -3.715 18.118 1.00 0.00 C ATOM 551 CG GLN A 35 -12.025 -3.989 19.533 1.00 0.00 C ATOM 552 CD GLN A 35 -13.212 -4.256 20.459 1.00 0.00 C ATOM 553 OE1 GLN A 35 -14.351 -4.121 20.060 1.00 0.00 O ATOM 554 NE2 GLN A 35 -12.993 -4.630 21.690 1.00 0.00 N ATOM 0 H GLN A 35 -12.840 -3.117 15.699 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.697 -2.698 17.640 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.209 -2.858 18.123 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.107 -4.569 17.755 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.353 -4.847 19.529 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.451 -3.136 19.896 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.037 -4.744 22.026 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.778 -4.809 22.316 1.00 0.00 H new ATOM 641 N HIS A 42 -6.154 -3.432 21.131 1.00 0.00 N ATOM 642 CA HIS A 42 -5.660 -2.238 20.390 1.00 0.00 C ATOM 643 C HIS A 42 -6.532 -2.011 19.152 1.00 0.00 C ATOM 644 O HIS A 42 -7.147 -2.926 18.640 1.00 0.00 O ATOM 645 CB HIS A 42 -4.215 -2.478 19.951 1.00 0.00 C ATOM 646 CG HIS A 42 -4.142 -3.757 19.166 1.00 0.00 C ATOM 647 ND1 HIS A 42 -4.365 -4.997 19.749 1.00 0.00 N ATOM 648 CD2 HIS A 42 -3.875 -4.009 17.842 1.00 0.00 C ATOM 649 CE1 HIS A 42 -4.228 -5.930 18.787 1.00 0.00 C ATOM 650 NE2 HIS A 42 -3.932 -5.378 17.609 1.00 0.00 N ATOM 0 HA HIS A 42 -5.707 -1.362 21.037 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.864 -1.644 19.343 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.562 -2.535 20.822 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -4.592 -5.170 20.728 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.655 -3.259 17.097 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.343 -6.992 18.949 1.00 0.00 H new ATOM 659 N TRP A 43 -6.593 -0.801 18.670 1.00 0.00 N ATOM 660 CA TRP A 43 -7.427 -0.519 17.468 1.00 0.00 C ATOM 661 C TRP A 43 -6.521 -0.311 16.253 1.00 0.00 C ATOM 662 O TRP A 43 -5.472 0.295 16.347 1.00 0.00 O ATOM 663 CB TRP A 43 -8.244 0.749 17.706 1.00 0.00 C ATOM 664 CG TRP A 43 -9.183 0.521 18.846 1.00 0.00 C ATOM 665 CD1 TRP A 43 -8.840 0.556 20.152 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.608 0.223 18.802 1.00 0.00 C ATOM 667 NE1 TRP A 43 -9.964 0.297 20.915 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.079 0.084 20.129 1.00 0.00 C ATOM 669 CE3 TRP A 43 -11.527 0.059 17.751 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.416 -0.203 20.403 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -12.871 -0.231 18.024 1.00 0.00 C ATOM 672 CH2 TRP A 43 -13.315 -0.363 19.347 1.00 0.00 C ATOM 0 H TRP A 43 -6.101 0.005 19.056 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.095 -1.361 17.286 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.582 1.587 17.926 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.801 1.011 16.807 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.851 0.754 20.537 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.969 0.267 21.935 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.196 0.157 16.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.753 -0.301 21.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -13.569 -0.354 17.209 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -14.352 -0.588 19.549 1.00 0.00 H new ATOM 683 N THR A 44 -6.917 -0.802 15.112 1.00 0.00 N ATOM 684 CA THR A 44 -6.077 -0.623 13.896 1.00 0.00 C ATOM 685 C THR A 44 -6.973 -0.612 12.654 1.00 0.00 C ATOM 686 O THR A 44 -8.009 -1.246 12.626 1.00 0.00 O ATOM 687 CB THR A 44 -5.078 -1.776 13.791 1.00 0.00 C ATOM 688 OG1 THR A 44 -5.594 -2.912 14.471 1.00 0.00 O ATOM 689 CG2 THR A 44 -3.748 -1.363 14.423 1.00 0.00 C ATOM 0 H THR A 44 -7.785 -1.319 14.969 1.00 0.00 H new ATOM 0 HA THR A 44 -5.537 0.321 13.964 1.00 0.00 H new ATOM 0 HB THR A 44 -4.918 -2.021 12.741 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.955 -3.652 14.403 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.038 -2.186 14.347 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.352 -0.492 13.900 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.905 -1.115 15.473 1.00 0.00 H new ATOM 697 N PRO A 45 -6.576 0.102 11.634 1.00 0.00 N ATOM 698 CA PRO A 45 -7.355 0.190 10.365 1.00 0.00 C ATOM 699 C PRO A 45 -7.338 -1.134 9.592 1.00 0.00 C ATOM 700 O PRO A 45 -6.526 -1.998 9.855 1.00 0.00 O ATOM 701 CB PRO A 45 -6.643 1.281 9.564 1.00 0.00 C ATOM 702 CG PRO A 45 -5.257 1.340 10.114 1.00 0.00 C ATOM 703 CD PRO A 45 -5.343 0.903 11.578 1.00 0.00 C ATOM 0 HA PRO A 45 -8.406 0.410 10.551 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.633 1.044 8.500 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.149 2.240 9.672 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.591 0.684 9.553 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.852 2.349 10.035 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.472 0.317 11.872 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.392 1.760 12.249 1.00 0.00 H new ATOM 711 N PRO A 46 -8.228 -1.294 8.652 1.00 0.00 N ATOM 712 CA PRO A 46 -8.309 -2.536 7.831 1.00 0.00 C ATOM 713 C PRO A 46 -6.960 -2.916 7.211 1.00 0.00 C ATOM 714 O PRO A 46 -6.639 -2.519 6.108 1.00 0.00 O ATOM 715 CB PRO A 46 -9.314 -2.189 6.730 1.00 0.00 C ATOM 716 CG PRO A 46 -10.133 -1.065 7.271 1.00 0.00 C ATOM 717 CD PRO A 46 -9.253 -0.311 8.268 1.00 0.00 C ATOM 0 HA PRO A 46 -8.603 -3.393 8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.804 -1.896 5.812 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.940 -3.048 6.486 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.459 -0.404 6.468 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.032 -1.442 7.758 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.807 0.575 7.816 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.826 0.026 9.132 1.00 0.00 H new ATOM 725 N LYS A 47 -6.168 -3.689 7.905 1.00 0.00 N ATOM 726 CA LYS A 47 -4.850 -4.095 7.341 1.00 0.00 C ATOM 727 C LYS A 47 -4.982 -5.463 6.669 1.00 0.00 C ATOM 728 O LYS A 47 -5.697 -6.330 7.134 1.00 0.00 O ATOM 729 CB LYS A 47 -3.805 -4.184 8.457 1.00 0.00 C ATOM 730 CG LYS A 47 -3.572 -2.799 9.062 1.00 0.00 C ATOM 731 CD LYS A 47 -2.319 -2.832 9.945 1.00 0.00 C ATOM 732 CE LYS A 47 -2.523 -3.821 11.095 1.00 0.00 C ATOM 733 NZ LYS A 47 -3.939 -3.769 11.556 1.00 0.00 N ATOM 0 H LYS A 47 -6.376 -4.055 8.834 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.534 -3.351 6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.142 -4.876 9.229 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.870 -4.580 8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.453 -2.060 8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.438 -2.497 9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.452 -3.123 9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.115 -1.837 10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.274 -4.830 10.768 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.853 -3.578 11.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.978 -3.950 12.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.335 -2.829 11.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.494 -4.492 11.055 1.00 0.00 H new ATOM 747 N GLY A 48 -4.292 -5.666 5.583 1.00 0.00 N ATOM 748 CA GLY A 48 -4.368 -6.978 4.883 1.00 0.00 C ATOM 749 C GLY A 48 -3.032 -7.255 4.193 1.00 0.00 C ATOM 750 O GLY A 48 -2.137 -6.435 4.207 1.00 0.00 O ATOM 0 H GLY A 48 -3.677 -4.978 5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.595 -7.771 5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.175 -6.967 4.150 1.00 0.00 H new ATOM 754 N HIS A 49 -2.892 -8.401 3.586 1.00 0.00 N ATOM 755 CA HIS A 49 -1.614 -8.724 2.893 1.00 0.00 C ATOM 756 C HIS A 49 -1.853 -8.701 1.382 1.00 0.00 C ATOM 757 O HIS A 49 -2.791 -9.294 0.886 1.00 0.00 O ATOM 758 CB HIS A 49 -1.142 -10.117 3.312 1.00 0.00 C ATOM 759 CG HIS A 49 -1.025 -10.177 4.812 1.00 0.00 C ATOM 760 ND1 HIS A 49 -1.725 -11.103 5.570 1.00 0.00 N ATOM 761 CD2 HIS A 49 -0.297 -9.432 5.707 1.00 0.00 C ATOM 762 CE1 HIS A 49 -1.407 -10.897 6.861 1.00 0.00 C ATOM 763 NE2 HIS A 49 -0.543 -9.892 6.997 1.00 0.00 N ATOM 0 H HIS A 49 -3.607 -9.127 3.540 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.853 -7.991 3.161 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.845 -10.872 2.961 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.179 -10.340 2.852 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.363 -8.617 5.450 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.803 -11.474 7.684 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.145 -9.534 7.865 1.00 0.00 H new ATOM 772 N VAL A 50 -1.020 -8.019 0.646 1.00 0.00 N ATOM 773 CA VAL A 50 -1.220 -7.962 -0.828 1.00 0.00 C ATOM 774 C VAL A 50 -0.838 -9.310 -1.449 1.00 0.00 C ATOM 775 O VAL A 50 0.197 -9.877 -1.157 1.00 0.00 O ATOM 776 CB VAL A 50 -0.369 -6.829 -1.423 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.484 -6.195 -0.328 1.00 0.00 C ATOM 778 CG2 VAL A 50 0.536 -7.376 -2.529 1.00 0.00 C ATOM 0 H VAL A 50 -0.215 -7.502 0.999 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.268 -7.760 -1.049 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.032 -6.075 -1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.086 -5.392 -0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.164 -5.789 0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.141 -6.950 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.135 -6.565 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.196 -8.139 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.077 -7.814 -3.317 1.00 0.00 H new ATOM 788 N GLU A 51 -1.682 -9.824 -2.303 1.00 0.00 N ATOM 789 CA GLU A 51 -1.408 -11.132 -2.962 1.00 0.00 C ATOM 790 C GLU A 51 -0.275 -10.950 -3.978 1.00 0.00 C ATOM 791 O GLU A 51 0.270 -9.875 -4.113 1.00 0.00 O ATOM 792 CB GLU A 51 -2.684 -11.601 -3.673 1.00 0.00 C ATOM 793 CG GLU A 51 -3.180 -12.925 -3.071 1.00 0.00 C ATOM 794 CD GLU A 51 -4.153 -12.633 -1.927 1.00 0.00 C ATOM 795 OE1 GLU A 51 -5.110 -11.913 -2.161 1.00 0.00 O ATOM 796 OE2 GLU A 51 -3.924 -13.134 -0.840 1.00 0.00 O ATOM 0 H GLU A 51 -2.562 -9.386 -2.575 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.110 -11.877 -2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.459 -10.840 -3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.488 -11.730 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.672 -13.523 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.336 -13.509 -2.704 1.00 0.00 H new ATOM 804 N PRO A 52 0.081 -11.991 -4.682 1.00 0.00 N ATOM 805 CA PRO A 52 1.173 -11.941 -5.695 1.00 0.00 C ATOM 806 C PRO A 52 1.139 -10.657 -6.534 1.00 0.00 C ATOM 807 O PRO A 52 1.334 -9.568 -6.030 1.00 0.00 O ATOM 808 CB PRO A 52 0.898 -13.170 -6.559 1.00 0.00 C ATOM 809 CG PRO A 52 0.253 -14.151 -5.636 1.00 0.00 C ATOM 810 CD PRO A 52 -0.517 -13.333 -4.596 1.00 0.00 C ATOM 0 HA PRO A 52 2.162 -11.940 -5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.244 -12.926 -7.396 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.820 -13.571 -6.981 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.419 -14.813 -6.182 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.002 -14.781 -5.156 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.584 -13.309 -4.818 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -0.408 -13.755 -3.597 1.00 0.00 H new ATOM 818 N GLY A 53 0.900 -10.769 -7.810 1.00 0.00 N ATOM 819 CA GLY A 53 0.859 -9.554 -8.668 1.00 0.00 C ATOM 820 C GLY A 53 -0.311 -8.665 -8.242 1.00 0.00 C ATOM 821 O GLY A 53 -0.661 -7.719 -8.917 1.00 0.00 O ATOM 0 H GLY A 53 0.731 -11.650 -8.296 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.796 -9.004 -8.583 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.750 -9.839 -9.715 1.00 0.00 H new ATOM 825 N GLU A 54 -0.920 -8.958 -7.125 1.00 0.00 N ATOM 826 CA GLU A 54 -2.067 -8.125 -6.666 1.00 0.00 C ATOM 827 C GLU A 54 -1.623 -6.663 -6.558 1.00 0.00 C ATOM 828 O GLU A 54 -0.468 -6.370 -6.319 1.00 0.00 O ATOM 829 CB GLU A 54 -2.552 -8.613 -5.302 1.00 0.00 C ATOM 830 CG GLU A 54 -3.851 -7.892 -4.954 1.00 0.00 C ATOM 831 CD GLU A 54 -4.300 -8.273 -3.543 1.00 0.00 C ATOM 832 OE1 GLU A 54 -3.462 -8.692 -2.768 1.00 0.00 O ATOM 833 OE2 GLU A 54 -5.480 -8.139 -3.264 1.00 0.00 O ATOM 0 H GLU A 54 -0.674 -9.736 -6.513 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.882 -8.208 -7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.713 -9.691 -5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.797 -8.418 -4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.707 -6.814 -5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.626 -8.154 -5.674 1.00 0.00 H new ATOM 841 N ASP A 55 -2.529 -5.742 -6.748 1.00 0.00 N ATOM 842 CA ASP A 55 -2.157 -4.298 -6.674 1.00 0.00 C ATOM 843 C ASP A 55 -1.868 -3.898 -5.232 1.00 0.00 C ATOM 844 O ASP A 55 -2.251 -4.567 -4.291 1.00 0.00 O ATOM 845 CB ASP A 55 -3.309 -3.439 -7.170 1.00 0.00 C ATOM 846 CG ASP A 55 -2.803 -2.024 -7.457 1.00 0.00 C ATOM 847 OD1 ASP A 55 -2.329 -1.797 -8.558 1.00 0.00 O ATOM 848 OD2 ASP A 55 -2.901 -1.192 -6.571 1.00 0.00 O ATOM 0 H ASP A 55 -3.511 -5.926 -6.951 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.272 -4.147 -7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.738 -3.873 -8.073 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.102 -3.409 -6.423 1.00 0.00 H new ATOM 854 N ASP A 56 -1.214 -2.788 -5.062 1.00 0.00 N ATOM 855 CA ASP A 56 -0.906 -2.302 -3.688 1.00 0.00 C ATOM 856 C ASP A 56 -2.170 -1.702 -3.065 1.00 0.00 C ATOM 857 O ASP A 56 -2.685 -2.194 -2.082 1.00 0.00 O ATOM 858 CB ASP A 56 0.180 -1.226 -3.760 1.00 0.00 C ATOM 859 CG ASP A 56 1.474 -1.834 -4.301 1.00 0.00 C ATOM 860 OD1 ASP A 56 2.293 -1.078 -4.800 1.00 0.00 O ATOM 861 OD2 ASP A 56 1.630 -3.039 -4.203 1.00 0.00 O ATOM 0 H ASP A 56 -0.877 -2.192 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.556 -3.135 -3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.146 -0.409 -4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.352 -0.803 -2.770 1.00 0.00 H new ATOM 867 N LEU A 57 -2.674 -0.639 -3.634 1.00 0.00 N ATOM 868 CA LEU A 57 -3.904 -0.004 -3.078 1.00 0.00 C ATOM 869 C LEU A 57 -5.075 -0.981 -3.179 1.00 0.00 C ATOM 870 O LEU A 57 -5.878 -1.101 -2.274 1.00 0.00 O ATOM 871 CB LEU A 57 -4.213 1.270 -3.872 1.00 0.00 C ATOM 872 CG LEU A 57 -5.556 1.870 -3.433 1.00 0.00 C ATOM 873 CD1 LEU A 57 -5.477 2.369 -1.989 1.00 0.00 C ATOM 874 CD2 LEU A 57 -5.896 3.046 -4.349 1.00 0.00 C ATOM 0 H LEU A 57 -2.287 -0.183 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.747 0.252 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.417 2.000 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.242 1.043 -4.938 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.325 1.100 -3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.439 2.791 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.230 1.537 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.706 3.135 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.849 3.480 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.114 3.802 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.968 2.696 -5.379 1.00 0.00 H new ATOM 886 N GLU A 58 -5.178 -1.687 -4.271 1.00 0.00 N ATOM 887 CA GLU A 58 -6.294 -2.664 -4.427 1.00 0.00 C ATOM 888 C GLU A 58 -6.319 -3.571 -3.197 1.00 0.00 C ATOM 889 O GLU A 58 -7.366 -3.882 -2.664 1.00 0.00 O ATOM 890 CB GLU A 58 -6.043 -3.500 -5.686 1.00 0.00 C ATOM 891 CG GLU A 58 -7.256 -4.349 -6.016 1.00 0.00 C ATOM 892 CD GLU A 58 -6.952 -5.241 -7.223 1.00 0.00 C ATOM 893 OE1 GLU A 58 -5.833 -5.191 -7.706 1.00 0.00 O ATOM 894 OE2 GLU A 58 -7.845 -5.958 -7.644 1.00 0.00 O ATOM 0 H GLU A 58 -4.538 -1.630 -5.063 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.249 -2.148 -4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.813 -2.843 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.174 -4.141 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.526 -4.963 -5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.112 -3.709 -6.232 1.00 0.00 H new ATOM 902 N THR A 59 -5.171 -3.971 -2.716 1.00 0.00 N ATOM 903 CA THR A 59 -5.146 -4.824 -1.498 1.00 0.00 C ATOM 904 C THR A 59 -5.817 -4.046 -0.374 1.00 0.00 C ATOM 905 O THR A 59 -6.616 -4.573 0.376 1.00 0.00 O ATOM 906 CB THR A 59 -3.698 -5.151 -1.123 1.00 0.00 C ATOM 907 OG1 THR A 59 -3.109 -5.907 -2.172 1.00 0.00 O ATOM 908 CG2 THR A 59 -3.668 -5.955 0.179 1.00 0.00 C ATOM 0 H THR A 59 -4.259 -3.745 -3.112 1.00 0.00 H new ATOM 0 HA THR A 59 -5.672 -5.762 -1.675 1.00 0.00 H new ATOM 0 HB THR A 59 -3.138 -4.227 -0.978 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.112 -5.379 -2.998 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.635 -6.185 0.441 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.124 -5.370 0.978 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.224 -6.883 0.046 1.00 0.00 H new ATOM 916 N ALA A 60 -5.520 -2.780 -0.271 1.00 0.00 N ATOM 917 CA ALA A 60 -6.167 -1.957 0.782 1.00 0.00 C ATOM 918 C ALA A 60 -7.662 -1.900 0.472 1.00 0.00 C ATOM 919 O ALA A 60 -8.494 -2.121 1.325 1.00 0.00 O ATOM 920 CB ALA A 60 -5.577 -0.543 0.771 1.00 0.00 C ATOM 0 H ALA A 60 -4.860 -2.284 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.998 -2.392 1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.055 0.057 1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.505 -0.595 0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.750 -0.084 -0.202 1.00 0.00 H new ATOM 926 N LEU A 61 -8.002 -1.636 -0.761 1.00 0.00 N ATOM 927 CA LEU A 61 -9.438 -1.589 -1.159 1.00 0.00 C ATOM 928 C LEU A 61 -10.089 -2.930 -0.832 1.00 0.00 C ATOM 929 O LEU A 61 -11.112 -3.004 -0.180 1.00 0.00 O ATOM 930 CB LEU A 61 -9.513 -1.383 -2.665 1.00 0.00 C ATOM 931 CG LEU A 61 -8.822 -0.083 -3.045 1.00 0.00 C ATOM 932 CD1 LEU A 61 -8.732 -0.014 -4.567 1.00 0.00 C ATOM 933 CD2 LEU A 61 -9.625 1.108 -2.517 1.00 0.00 C ATOM 0 H LEU A 61 -7.341 -1.450 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.945 -0.782 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.040 -2.220 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.554 -1.359 -2.986 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.824 -0.049 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.239 0.913 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.158 -0.864 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.735 -0.042 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.124 2.036 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.625 1.093 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.699 1.045 -1.431 1.00 0.00 H new ATOM 945 N ARG A 62 -9.487 -3.993 -1.288 1.00 0.00 N ATOM 946 CA ARG A 62 -10.038 -5.348 -1.021 1.00 0.00 C ATOM 947 C ARG A 62 -9.945 -5.649 0.477 1.00 0.00 C ATOM 948 O ARG A 62 -10.864 -6.176 1.068 1.00 0.00 O ATOM 949 CB ARG A 62 -9.237 -6.368 -1.831 1.00 0.00 C ATOM 950 CG ARG A 62 -9.650 -6.279 -3.303 1.00 0.00 C ATOM 951 CD ARG A 62 -8.803 -7.243 -4.134 1.00 0.00 C ATOM 952 NE ARG A 62 -9.145 -8.650 -3.775 1.00 0.00 N ATOM 953 CZ ARG A 62 -10.184 -9.227 -4.315 1.00 0.00 C ATOM 954 NH1 ARG A 62 -10.932 -8.570 -5.159 1.00 0.00 N ATOM 955 NH2 ARG A 62 -10.477 -10.462 -4.010 1.00 0.00 N ATOM 0 H ARG A 62 -8.629 -3.979 -1.839 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.086 -5.400 -1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.169 -6.174 -1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.416 -7.374 -1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.707 -6.523 -3.410 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.520 -5.260 -3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.980 -7.075 -5.196 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.744 -7.059 -3.955 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.567 -9.161 -3.108 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.705 -7.605 -5.397 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.744 -9.022 -5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.894 -10.976 -3.350 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.289 -10.913 -4.432 1.00 0.00 H new ATOM 969 N ALA A 63 -8.854 -5.297 1.105 1.00 0.00 N ATOM 970 CA ALA A 63 -8.734 -5.548 2.569 1.00 0.00 C ATOM 971 C ALA A 63 -9.737 -4.649 3.295 1.00 0.00 C ATOM 972 O ALA A 63 -10.281 -5.001 4.322 1.00 0.00 O ATOM 973 CB ALA A 63 -7.314 -5.217 3.038 1.00 0.00 C ATOM 0 H ALA A 63 -8.047 -4.850 0.670 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.940 -6.596 2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.232 -5.402 4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.599 -5.845 2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.099 -4.168 2.834 1.00 0.00 H new ATOM 979 N THR A 64 -9.982 -3.483 2.755 1.00 0.00 N ATOM 980 CA THR A 64 -10.946 -2.544 3.392 1.00 0.00 C ATOM 981 C THR A 64 -12.328 -3.197 3.473 1.00 0.00 C ATOM 982 O THR A 64 -12.986 -3.157 4.493 1.00 0.00 O ATOM 983 CB THR A 64 -11.038 -1.275 2.541 1.00 0.00 C ATOM 984 OG1 THR A 64 -9.741 -0.732 2.358 1.00 0.00 O ATOM 985 CG2 THR A 64 -11.920 -0.243 3.241 1.00 0.00 C ATOM 0 H THR A 64 -9.552 -3.141 1.895 1.00 0.00 H new ATOM 0 HA THR A 64 -10.605 -2.297 4.398 1.00 0.00 H new ATOM 0 HB THR A 64 -11.472 -1.526 1.573 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.198 -1.353 1.829 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.981 0.658 2.630 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.919 -0.654 3.382 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.490 0.005 4.211 1.00 0.00 H new ATOM 993 N GLN A 65 -12.772 -3.794 2.403 1.00 0.00 N ATOM 994 CA GLN A 65 -14.113 -4.443 2.414 1.00 0.00 C ATOM 995 C GLN A 65 -14.056 -5.777 3.162 1.00 0.00 C ATOM 996 O GLN A 65 -14.971 -6.135 3.873 1.00 0.00 O ATOM 997 CB GLN A 65 -14.587 -4.660 0.973 1.00 0.00 C ATOM 998 CG GLN A 65 -15.237 -6.040 0.837 1.00 0.00 C ATOM 999 CD GLN A 65 -15.889 -6.164 -0.541 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -15.264 -5.902 -1.550 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -17.132 -6.556 -0.628 1.00 0.00 N ATOM 0 H GLN A 65 -12.264 -3.861 1.521 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.820 -3.793 2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.300 -3.884 0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.743 -4.577 0.288 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.488 -6.821 0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.984 -6.180 1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -17.658 -6.776 0.218 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -17.577 -6.642 -1.542 1.00 0.00 H new ATOM 1010 N GLU A 66 -12.997 -6.520 3.004 1.00 0.00 N ATOM 1011 CA GLU A 66 -12.905 -7.829 3.707 1.00 0.00 C ATOM 1012 C GLU A 66 -12.910 -7.614 5.222 1.00 0.00 C ATOM 1013 O GLU A 66 -13.509 -8.372 5.958 1.00 0.00 O ATOM 1014 CB GLU A 66 -11.618 -8.538 3.286 1.00 0.00 C ATOM 1015 CG GLU A 66 -11.749 -9.008 1.835 1.00 0.00 C ATOM 1016 CD GLU A 66 -10.480 -9.750 1.420 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -9.514 -9.693 2.165 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -10.494 -10.365 0.368 1.00 0.00 O ATOM 0 H GLU A 66 -12.195 -6.279 2.422 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.764 -8.444 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.768 -7.863 3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.428 -9.389 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.615 -9.662 1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.914 -8.153 1.179 1.00 0.00 H new ATOM 1026 N GLU A 67 -12.252 -6.591 5.699 1.00 0.00 N ATOM 1027 CA GLU A 67 -12.235 -6.346 7.173 1.00 0.00 C ATOM 1028 C GLU A 67 -13.177 -5.192 7.529 1.00 0.00 C ATOM 1029 O GLU A 67 -13.243 -4.767 8.665 1.00 0.00 O ATOM 1030 CB GLU A 67 -10.814 -5.996 7.619 1.00 0.00 C ATOM 1031 CG GLU A 67 -9.895 -7.197 7.393 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.497 -6.875 7.925 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -7.685 -7.784 7.989 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -8.261 -5.726 8.260 1.00 0.00 O ATOM 0 H GLU A 67 -11.729 -5.919 5.138 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.569 -7.249 7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.448 -5.135 7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.811 -5.716 8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.295 -8.075 7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.846 -7.436 6.331 1.00 0.00 H new ATOM 1042 N ALA A 68 -13.906 -4.675 6.577 1.00 0.00 N ATOM 1043 CA ALA A 68 -14.829 -3.545 6.892 1.00 0.00 C ATOM 1044 C ALA A 68 -16.067 -3.611 5.997 1.00 0.00 C ATOM 1045 O ALA A 68 -17.101 -3.063 6.316 1.00 0.00 O ATOM 1046 CB ALA A 68 -14.108 -2.220 6.657 1.00 0.00 C ATOM 0 H ALA A 68 -13.904 -4.982 5.604 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.137 -3.619 7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.781 -1.394 6.887 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.231 -2.164 7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.797 -2.155 5.614 1.00 0.00 H new ATOM 1052 N GLY A 69 -15.974 -4.264 4.876 1.00 0.00 N ATOM 1053 CA GLY A 69 -17.153 -4.349 3.970 1.00 0.00 C ATOM 1054 C GLY A 69 -17.200 -3.104 3.084 1.00 0.00 C ATOM 1055 O GLY A 69 -18.046 -2.978 2.221 1.00 0.00 O ATOM 0 H GLY A 69 -15.135 -4.742 4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.089 -5.246 3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.070 -4.429 4.554 1.00 0.00 H new ATOM 1059 N ILE A 70 -16.295 -2.185 3.282 1.00 0.00 N ATOM 1060 CA ILE A 70 -16.294 -0.958 2.445 1.00 0.00 C ATOM 1061 C ILE A 70 -15.166 -1.062 1.412 1.00 0.00 C ATOM 1062 O ILE A 70 -14.020 -1.286 1.748 1.00 0.00 O ATOM 1063 CB ILE A 70 -16.062 0.269 3.329 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -16.914 0.179 4.600 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -16.484 1.513 2.554 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -16.327 1.093 5.680 1.00 0.00 C ATOM 0 H ILE A 70 -15.559 -2.233 3.986 1.00 0.00 H new ATOM 0 HA ILE A 70 -17.254 -0.858 1.939 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.008 0.317 3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.941 0.470 4.382 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.944 -0.850 4.958 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.325 2.397 3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -15.890 1.594 1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.540 1.438 2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.935 1.027 6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.307 0.781 5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.321 2.122 5.321 1.00 0.00 H new ATOM 1078 N GLU A 71 -15.490 -0.907 0.158 1.00 0.00 N ATOM 1079 CA GLU A 71 -14.446 -0.999 -0.906 1.00 0.00 C ATOM 1080 C GLU A 71 -14.364 0.334 -1.653 1.00 0.00 C ATOM 1081 O GLU A 71 -15.189 1.207 -1.475 1.00 0.00 O ATOM 1082 CB GLU A 71 -14.815 -2.114 -1.884 1.00 0.00 C ATOM 1083 CG GLU A 71 -16.068 -1.712 -2.661 1.00 0.00 C ATOM 1084 CD GLU A 71 -16.530 -2.876 -3.540 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -15.818 -3.864 -3.603 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -17.589 -2.757 -4.137 1.00 0.00 O ATOM 0 H GLU A 71 -16.435 -0.720 -0.178 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.480 -1.220 -0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.990 -2.297 -2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.991 -3.044 -1.343 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -16.861 -1.430 -1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.859 -0.839 -3.279 1.00 0.00 H new ATOM 1094 N ALA A 72 -13.377 0.499 -2.494 1.00 0.00 N ATOM 1095 CA ALA A 72 -13.252 1.777 -3.250 1.00 0.00 C ATOM 1096 C ALA A 72 -14.614 2.155 -3.821 1.00 0.00 C ATOM 1097 O ALA A 72 -14.995 3.308 -3.838 1.00 0.00 O ATOM 1098 CB ALA A 72 -12.248 1.595 -4.384 1.00 0.00 C ATOM 0 H ALA A 72 -12.655 -0.194 -2.689 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.905 2.569 -2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.154 2.528 -4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.278 1.319 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.594 0.807 -5.053 1.00 0.00 H new ATOM 1104 N GLY A 73 -15.363 1.191 -4.262 1.00 0.00 N ATOM 1105 CA GLY A 73 -16.711 1.492 -4.804 1.00 0.00 C ATOM 1106 C GLY A 73 -17.543 2.143 -3.701 1.00 0.00 C ATOM 1107 O GLY A 73 -18.506 2.836 -3.963 1.00 0.00 O ATOM 0 H GLY A 73 -15.100 0.205 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.634 2.158 -5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.192 0.578 -5.152 1.00 0.00 H new ATOM 1111 N GLN A 74 -17.183 1.913 -2.465 1.00 0.00 N ATOM 1112 CA GLN A 74 -17.958 2.509 -1.343 1.00 0.00 C ATOM 1113 C GLN A 74 -17.195 3.684 -0.708 1.00 0.00 C ATOM 1114 O GLN A 74 -17.751 4.425 0.077 1.00 0.00 O ATOM 1115 CB GLN A 74 -18.245 1.437 -0.294 1.00 0.00 C ATOM 1116 CG GLN A 74 -19.151 0.364 -0.903 1.00 0.00 C ATOM 1117 CD GLN A 74 -19.463 -0.698 0.153 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -18.688 -1.611 0.358 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -20.572 -0.616 0.834 1.00 0.00 N ATOM 0 H GLN A 74 -16.387 1.339 -2.187 1.00 0.00 H new ATOM 0 HA GLN A 74 -18.899 2.894 -1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.313 0.990 0.050 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -18.725 1.883 0.577 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -20.075 0.815 -1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.663 -0.095 -1.763 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -21.221 0.151 0.661 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -20.790 -1.319 1.540 1.00 0.00 H new ATOM 1128 N LEU A 75 -15.944 3.889 -1.052 1.00 0.00 N ATOM 1129 CA LEU A 75 -15.211 5.056 -0.464 1.00 0.00 C ATOM 1130 C LEU A 75 -14.513 5.840 -1.570 1.00 0.00 C ATOM 1131 O LEU A 75 -14.581 5.505 -2.736 1.00 0.00 O ATOM 1132 CB LEU A 75 -14.147 4.649 0.577 1.00 0.00 C ATOM 1133 CG LEU A 75 -13.918 3.138 0.600 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -12.644 2.810 -0.176 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -13.740 2.664 2.044 1.00 0.00 C ATOM 0 H LEU A 75 -15.409 3.312 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.963 5.660 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.208 5.155 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.461 4.983 1.566 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.777 2.640 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.477 1.733 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.749 3.148 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.796 3.315 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.577 1.586 2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.880 3.166 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.636 2.902 2.618 1.00 0.00 H new ATOM 1147 N THR A 76 -13.836 6.886 -1.195 1.00 0.00 N ATOM 1148 CA THR A 76 -13.113 7.720 -2.189 1.00 0.00 C ATOM 1149 C THR A 76 -11.641 7.777 -1.796 1.00 0.00 C ATOM 1150 O THR A 76 -11.297 8.253 -0.733 1.00 0.00 O ATOM 1151 CB THR A 76 -13.702 9.131 -2.178 1.00 0.00 C ATOM 1152 OG1 THR A 76 -15.020 9.098 -2.707 1.00 0.00 O ATOM 1153 CG2 THR A 76 -12.831 10.065 -3.016 1.00 0.00 C ATOM 0 H THR A 76 -13.752 7.202 -0.229 1.00 0.00 H new ATOM 0 HA THR A 76 -13.213 7.294 -3.187 1.00 0.00 H new ATOM 0 HB THR A 76 -13.733 9.500 -1.153 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.399 10.002 -2.699 1.00 0.00 H new ATOM 0 HG21 THR A 76 -13.257 11.068 -3.004 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.824 10.093 -2.601 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.790 9.701 -4.043 1.00 0.00 H new ATOM 1161 N ILE A 77 -10.766 7.306 -2.637 1.00 0.00 N ATOM 1162 CA ILE A 77 -9.320 7.341 -2.294 1.00 0.00 C ATOM 1163 C ILE A 77 -8.756 8.709 -2.676 1.00 0.00 C ATOM 1164 O ILE A 77 -8.946 9.184 -3.778 1.00 0.00 O ATOM 1165 CB ILE A 77 -8.584 6.248 -3.074 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -9.394 4.946 -3.024 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -7.208 6.015 -2.444 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -9.578 4.498 -1.573 1.00 0.00 C ATOM 0 H ILE A 77 -10.989 6.899 -3.545 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.187 7.171 -1.226 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.464 6.560 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.367 5.095 -3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.883 4.168 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.682 5.237 -2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.631 6.939 -2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.331 5.703 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.154 3.573 -1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.602 4.330 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.109 5.271 -1.018 1.00 0.00 H new ATOM 1180 N ILE A 78 -8.074 9.357 -1.773 1.00 0.00 N ATOM 1181 CA ILE A 78 -7.514 10.700 -2.089 1.00 0.00 C ATOM 1182 C ILE A 78 -6.125 10.551 -2.700 1.00 0.00 C ATOM 1183 O ILE A 78 -5.338 9.711 -2.308 1.00 0.00 O ATOM 1184 CB ILE A 78 -7.448 11.545 -0.817 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -8.529 12.626 -0.877 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -6.074 12.213 -0.697 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -9.912 11.972 -0.871 1.00 0.00 C ATOM 0 H ILE A 78 -7.881 9.015 -0.832 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.161 11.200 -2.810 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.608 10.902 0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.431 13.300 -0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.405 13.229 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.039 12.812 0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.299 11.447 -0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.905 12.855 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.680 12.744 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.008 11.316 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.035 11.389 0.042 1.00 0.00 H new ATOM 1199 N GLU A 79 -5.831 11.360 -3.677 1.00 0.00 N ATOM 1200 CA GLU A 79 -4.505 11.282 -4.352 1.00 0.00 C ATOM 1201 C GLU A 79 -3.589 12.397 -3.847 1.00 0.00 C ATOM 1202 O GLU A 79 -4.037 13.454 -3.445 1.00 0.00 O ATOM 1203 CB GLU A 79 -4.708 11.428 -5.859 1.00 0.00 C ATOM 1204 CG GLU A 79 -5.622 10.309 -6.357 1.00 0.00 C ATOM 1205 CD GLU A 79 -5.820 10.440 -7.869 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -5.430 11.461 -8.410 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -6.359 9.519 -8.458 1.00 0.00 O ATOM 0 H GLU A 79 -6.457 12.078 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.041 10.321 -4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.147 12.400 -6.086 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.748 11.384 -6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.187 9.338 -6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.585 10.359 -5.849 1.00 0.00 H new ATOM 1215 N GLY A 80 -2.304 12.168 -3.868 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.346 13.206 -3.397 1.00 0.00 C ATOM 1217 C GLY A 80 -0.822 12.823 -2.013 1.00 0.00 C ATOM 1218 O GLY A 80 0.181 13.332 -1.556 1.00 0.00 O ATOM 0 H GLY A 80 -1.875 11.301 -4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.517 13.297 -4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.837 14.178 -3.356 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.492 11.924 -1.345 1.00 0.00 N ATOM 1223 CA PHE A 81 -1.029 11.501 0.005 1.00 0.00 C ATOM 1224 C PHE A 81 -0.597 10.035 -0.028 1.00 0.00 C ATOM 1225 O PHE A 81 -1.358 9.167 -0.407 1.00 0.00 O ATOM 1226 CB PHE A 81 -2.171 11.652 1.008 1.00 0.00 C ATOM 1227 CG PHE A 81 -1.716 11.155 2.358 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -1.695 9.780 2.627 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -1.313 12.065 3.339 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -1.270 9.318 3.879 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -0.889 11.604 4.589 1.00 0.00 C ATOM 1232 CZ PHE A 81 -0.868 10.230 4.860 1.00 0.00 C ATOM 0 H PHE A 81 -2.340 11.465 -1.677 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.186 12.126 0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.476 12.696 1.076 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.041 11.087 0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -2.006 9.077 1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.329 13.125 3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.253 8.258 4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.577 12.308 5.346 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.541 9.875 5.826 1.00 0.00 H new ATOM 1242 N LYS A 82 0.602 9.744 0.391 1.00 0.00 N ATOM 1243 CA LYS A 82 1.049 8.326 0.403 1.00 0.00 C ATOM 1244 C LYS A 82 2.164 8.152 1.428 1.00 0.00 C ATOM 1245 O LYS A 82 3.140 8.876 1.437 1.00 0.00 O ATOM 1246 CB LYS A 82 1.570 7.912 -0.967 1.00 0.00 C ATOM 1247 CG LYS A 82 1.369 6.407 -1.133 1.00 0.00 C ATOM 1248 CD LYS A 82 1.855 5.968 -2.513 1.00 0.00 C ATOM 1249 CE LYS A 82 3.379 5.861 -2.515 1.00 0.00 C ATOM 1250 NZ LYS A 82 3.934 6.682 -3.628 1.00 0.00 N ATOM 0 H LYS A 82 1.287 10.422 0.724 1.00 0.00 H new ATOM 0 HA LYS A 82 0.196 7.699 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.041 8.453 -1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.626 8.165 -1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.915 5.870 -0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.315 6.156 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.413 5.007 -2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.531 6.684 -3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.779 6.204 -1.561 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.681 4.820 -2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.971 6.609 -3.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.561 6.335 -4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.657 7.676 -3.498 1.00 0.00 H new ATOM 1264 N ARG A 83 2.022 7.191 2.284 1.00 0.00 N ATOM 1265 CA ARG A 83 3.062 6.942 3.315 1.00 0.00 C ATOM 1266 C ARG A 83 2.922 5.510 3.820 1.00 0.00 C ATOM 1267 O ARG A 83 1.826 5.003 3.950 1.00 0.00 O ATOM 1268 CB ARG A 83 2.865 7.916 4.478 1.00 0.00 C ATOM 1269 CG ARG A 83 3.876 7.608 5.581 1.00 0.00 C ATOM 1270 CD ARG A 83 3.720 8.628 6.705 1.00 0.00 C ATOM 1271 NE ARG A 83 4.688 8.319 7.797 1.00 0.00 N ATOM 1272 CZ ARG A 83 4.261 8.018 8.999 1.00 0.00 C ATOM 1273 NH1 ARG A 83 2.984 7.984 9.259 1.00 0.00 N ATOM 1274 NH2 ARG A 83 5.121 7.752 9.943 1.00 0.00 N ATOM 0 H ARG A 83 1.222 6.558 2.317 1.00 0.00 H new ATOM 0 HA ARG A 83 4.054 7.087 2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.991 8.942 4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.850 7.833 4.867 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.718 6.600 5.964 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.890 7.642 5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.895 9.634 6.324 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.701 8.606 7.091 1.00 0.00 H new ATOM 0 HE ARG A 83 5.690 8.342 7.607 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.308 8.193 8.524 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.661 7.749 10.197 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.121 7.779 9.744 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.793 7.517 10.880 1.00 0.00 H new ATOM 1288 N GLU A 84 4.008 4.852 4.113 1.00 0.00 N ATOM 1289 CA GLU A 84 3.891 3.457 4.613 1.00 0.00 C ATOM 1290 C GLU A 84 4.545 3.327 5.979 1.00 0.00 C ATOM 1291 O GLU A 84 5.589 3.893 6.239 1.00 0.00 O ATOM 1292 CB GLU A 84 4.546 2.472 3.644 1.00 0.00 C ATOM 1293 CG GLU A 84 5.967 2.920 3.298 1.00 0.00 C ATOM 1294 CD GLU A 84 5.930 4.289 2.618 1.00 0.00 C ATOM 1295 OE1 GLU A 84 6.610 5.183 3.094 1.00 0.00 O ATOM 1296 OE2 GLU A 84 5.222 4.421 1.634 1.00 0.00 O ATOM 0 H GLU A 84 4.958 5.214 4.029 1.00 0.00 H new ATOM 0 HA GLU A 84 2.830 3.221 4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.571 1.478 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.951 2.399 2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.572 2.970 4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.438 2.190 2.640 1.00 0.00 H new ATOM 1304 N LEU A 85 3.948 2.567 6.850 1.00 0.00 N ATOM 1305 CA LEU A 85 4.546 2.383 8.192 1.00 0.00 C ATOM 1306 C LEU A 85 5.355 1.088 8.164 1.00 0.00 C ATOM 1307 O LEU A 85 4.821 0.021 7.934 1.00 0.00 O ATOM 1308 CB LEU A 85 3.432 2.297 9.239 1.00 0.00 C ATOM 1309 CG LEU A 85 2.416 3.422 8.998 1.00 0.00 C ATOM 1310 CD1 LEU A 85 1.515 3.588 10.223 1.00 0.00 C ATOM 1311 CD2 LEU A 85 3.148 4.739 8.728 1.00 0.00 C ATOM 0 H LEU A 85 3.074 2.067 6.689 1.00 0.00 H new ATOM 0 HA LEU A 85 5.193 3.221 8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.938 1.327 9.181 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.853 2.381 10.241 1.00 0.00 H new ATOM 0 HG LEU A 85 1.806 3.161 8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.798 4.389 10.041 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.980 2.657 10.410 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.124 3.837 11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.420 5.532 8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.768 4.994 9.588 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.779 4.630 7.846 1.00 0.00 H new ATOM 1323 N ASN A 86 6.643 1.174 8.364 1.00 0.00 N ATOM 1324 CA ASN A 86 7.482 -0.058 8.311 1.00 0.00 C ATOM 1325 C ASN A 86 8.006 -0.389 9.706 1.00 0.00 C ATOM 1326 O ASN A 86 8.682 0.403 10.334 1.00 0.00 O ATOM 1327 CB ASN A 86 8.669 0.181 7.375 1.00 0.00 C ATOM 1328 CG ASN A 86 8.161 0.545 5.977 1.00 0.00 C ATOM 1329 OD1 ASN A 86 8.939 0.677 5.053 1.00 0.00 O ATOM 1330 ND2 ASN A 86 6.884 0.724 5.782 1.00 0.00 N ATOM 0 H ASN A 86 7.148 2.038 8.561 1.00 0.00 H new ATOM 0 HA ASN A 86 6.878 -0.888 7.945 1.00 0.00 H new ATOM 0 HB2 ASN A 86 9.296 0.983 7.765 1.00 0.00 H new ATOM 0 HB3 ASN A 86 9.290 -0.713 7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 86 6.540 0.974 4.855 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.229 0.614 6.556 1.00 0.00 H new ATOM 1337 N TYR A 87 7.708 -1.562 10.190 1.00 0.00 N ATOM 1338 CA TYR A 87 8.193 -1.958 11.537 1.00 0.00 C ATOM 1339 C TYR A 87 8.009 -3.459 11.726 1.00 0.00 C ATOM 1340 O TYR A 87 7.170 -4.080 11.103 1.00 0.00 O ATOM 1341 CB TYR A 87 7.398 -1.216 12.606 1.00 0.00 C ATOM 1342 CG TYR A 87 5.923 -1.462 12.395 1.00 0.00 C ATOM 1343 CD1 TYR A 87 5.337 -2.647 12.856 1.00 0.00 C ATOM 1344 CD2 TYR A 87 5.140 -0.508 11.732 1.00 0.00 C ATOM 1345 CE1 TYR A 87 3.970 -2.876 12.657 1.00 0.00 C ATOM 1346 CE2 TYR A 87 3.773 -0.739 11.532 1.00 0.00 C ATOM 1347 CZ TYR A 87 3.188 -1.921 11.995 1.00 0.00 C ATOM 1348 OH TYR A 87 1.843 -2.147 11.798 1.00 0.00 O ATOM 0 H TYR A 87 7.147 -2.264 9.708 1.00 0.00 H new ATOM 0 HA TYR A 87 9.250 -1.705 11.626 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.696 -1.555 13.598 1.00 0.00 H new ATOM 0 HB3 TYR A 87 7.610 -0.148 12.557 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.939 -3.385 13.365 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.591 0.406 11.375 1.00 0.00 H new ATOM 0 HE1 TYR A 87 3.518 -3.790 13.014 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.171 -0.003 11.020 1.00 0.00 H new ATOM 0 HH TYR A 87 1.449 -1.385 11.324 1.00 0.00 H new ATOM 1444 N PRO A 93 9.258 -7.582 9.661 1.00 0.00 N ATOM 1445 CA PRO A 93 9.036 -6.163 9.241 1.00 0.00 C ATOM 1446 C PRO A 93 7.969 -6.032 8.169 1.00 0.00 C ATOM 1447 O PRO A 93 8.061 -6.616 7.113 1.00 0.00 O ATOM 1448 CB PRO A 93 10.378 -5.733 8.684 1.00 0.00 C ATOM 1449 CG PRO A 93 11.029 -6.995 8.226 1.00 0.00 C ATOM 1450 CD PRO A 93 10.526 -8.106 9.142 1.00 0.00 C ATOM 0 HA PRO A 93 8.688 -5.555 10.076 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.256 -5.030 7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.978 -5.232 9.444 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.776 -7.206 7.187 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.115 -6.912 8.279 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.381 -9.039 8.597 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.233 -8.313 9.946 1.00 0.00 H new ATOM 1458 N LYS A 94 6.968 -5.257 8.433 1.00 0.00 N ATOM 1459 CA LYS A 94 5.879 -5.082 7.434 1.00 0.00 C ATOM 1460 C LYS A 94 5.858 -3.660 6.888 1.00 0.00 C ATOM 1461 O LYS A 94 5.801 -2.703 7.633 1.00 0.00 O ATOM 1462 CB LYS A 94 4.531 -5.326 8.109 1.00 0.00 C ATOM 1463 CG LYS A 94 4.340 -6.806 8.440 1.00 0.00 C ATOM 1464 CD LYS A 94 3.030 -6.980 9.218 1.00 0.00 C ATOM 1465 CE LYS A 94 1.889 -6.275 8.475 1.00 0.00 C ATOM 1466 NZ LYS A 94 1.887 -4.822 8.819 1.00 0.00 N ATOM 0 H LYS A 94 6.851 -4.732 9.300 1.00 0.00 H new ATOM 0 HA LYS A 94 6.056 -5.788 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.466 -4.735 9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.727 -4.990 7.454 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.315 -7.396 7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.180 -7.171 9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.802 -8.040 9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.134 -6.566 10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.008 -6.404 7.399 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.933 -6.724 8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.908 -4.498 8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.423 -4.673 9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.329 -4.282 8.048 1.00 0.00 H new ATOM 1480 N THR A 95 5.825 -3.518 5.594 1.00 0.00 N ATOM 1481 CA THR A 95 5.718 -2.160 5.010 1.00 0.00 C ATOM 1482 C THR A 95 4.234 -1.937 4.760 1.00 0.00 C ATOM 1483 O THR A 95 3.625 -2.620 3.962 1.00 0.00 O ATOM 1484 CB THR A 95 6.478 -2.081 3.682 1.00 0.00 C ATOM 1485 OG1 THR A 95 7.867 -1.931 3.937 1.00 0.00 O ATOM 1486 CG2 THR A 95 5.972 -0.880 2.874 1.00 0.00 C ATOM 0 H THR A 95 5.867 -4.282 4.920 1.00 0.00 H new ATOM 0 HA THR A 95 6.144 -1.409 5.676 1.00 0.00 H new ATOM 0 HB THR A 95 6.312 -2.996 3.114 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.352 -1.882 3.087 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.512 -0.823 1.929 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.907 -0.997 2.676 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.137 0.036 3.442 1.00 0.00 H new ATOM 1494 N VAL A 96 3.635 -1.018 5.451 1.00 0.00 N ATOM 1495 CA VAL A 96 2.181 -0.798 5.265 1.00 0.00 C ATOM 1496 C VAL A 96 1.946 0.544 4.586 1.00 0.00 C ATOM 1497 O VAL A 96 2.302 1.575 5.107 1.00 0.00 O ATOM 1498 CB VAL A 96 1.515 -0.795 6.644 1.00 0.00 C ATOM 1499 CG1 VAL A 96 0.007 -0.607 6.482 1.00 0.00 C ATOM 1500 CG2 VAL A 96 1.789 -2.130 7.351 1.00 0.00 C ATOM 0 H VAL A 96 4.087 -0.411 6.135 1.00 0.00 H new ATOM 0 HA VAL A 96 1.760 -1.587 4.642 1.00 0.00 H new ATOM 0 HB VAL A 96 1.922 0.022 7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.467 -0.605 7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.190 0.341 5.982 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.399 -1.423 5.885 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.314 -2.126 8.332 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.383 -2.947 6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.864 -2.266 7.469 1.00 0.00 H new ATOM 1510 N ILE A 97 1.330 0.534 3.435 1.00 0.00 N ATOM 1511 CA ILE A 97 1.052 1.811 2.717 1.00 0.00 C ATOM 1512 C ILE A 97 -0.382 2.230 3.013 1.00 0.00 C ATOM 1513 O ILE A 97 -1.301 1.446 2.890 1.00 0.00 O ATOM 1514 CB ILE A 97 1.222 1.598 1.211 1.00 0.00 C ATOM 1515 CG1 ILE A 97 2.623 1.031 0.931 1.00 0.00 C ATOM 1516 CG2 ILE A 97 1.034 2.930 0.479 1.00 0.00 C ATOM 1517 CD1 ILE A 97 3.557 2.135 0.420 1.00 0.00 C ATOM 0 H ILE A 97 1.006 -0.308 2.959 1.00 0.00 H new ATOM 0 HA ILE A 97 1.744 2.585 3.048 1.00 0.00 H new ATOM 0 HB ILE A 97 0.474 0.891 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.033 0.592 1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.557 0.232 0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.155 2.776 -0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.035 3.317 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.778 3.646 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.544 1.716 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.154 2.554 -0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.637 2.921 1.171 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.582 3.451 3.422 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.964 3.891 3.747 1.00 0.00 C ATOM 1531 C TYR A 98 -2.420 5.017 2.819 1.00 0.00 C ATOM 1532 O TYR A 98 -1.742 6.010 2.639 1.00 0.00 O ATOM 1533 CB TYR A 98 -2.007 4.417 5.177 1.00 0.00 C ATOM 1534 CG TYR A 98 -1.980 3.274 6.164 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -3.077 2.411 6.270 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.867 3.096 6.995 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -3.061 1.370 7.205 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.849 2.052 7.925 1.00 0.00 C ATOM 1539 CZ TYR A 98 -1.946 1.191 8.032 1.00 0.00 C ATOM 1540 OH TYR A 98 -1.930 0.168 8.956 1.00 0.00 O ATOM 0 H TYR A 98 0.145 4.156 3.544 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.624 3.032 3.624 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.158 5.077 5.353 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.909 5.011 5.325 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.936 2.549 5.630 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.023 3.765 6.918 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.908 0.705 7.288 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.012 1.910 8.561 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.043 0.114 9.368 1.00 0.00 H new ATOM 1550 N TRP A 99 -3.597 4.885 2.275 1.00 0.00 N ATOM 1551 CA TRP A 99 -4.157 5.955 1.408 1.00 0.00 C ATOM 1552 C TRP A 99 -5.356 6.550 2.145 1.00 0.00 C ATOM 1553 O TRP A 99 -6.097 5.841 2.797 1.00 0.00 O ATOM 1554 CB TRP A 99 -4.624 5.369 0.073 1.00 0.00 C ATOM 1555 CG TRP A 99 -3.465 5.215 -0.858 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -2.960 6.194 -1.639 1.00 0.00 C ATOM 1557 CD2 TRP A 99 -2.671 4.025 -1.125 1.00 0.00 C ATOM 1558 NE1 TRP A 99 -1.906 5.679 -2.374 1.00 0.00 N ATOM 1559 CE2 TRP A 99 -1.687 4.346 -2.089 1.00 0.00 C ATOM 1560 CE3 TRP A 99 -2.710 2.712 -0.628 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 -0.776 3.394 -2.546 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 -1.793 1.753 -1.083 1.00 0.00 C ATOM 1563 CH2 TRP A 99 -0.827 2.094 -2.040 1.00 0.00 C ATOM 0 H TRP A 99 -4.201 4.072 2.396 1.00 0.00 H new ATOM 0 HA TRP A 99 -3.400 6.712 1.203 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.098 4.401 0.238 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.375 6.019 -0.375 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -3.319 7.212 -1.683 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.358 6.218 -3.044 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.451 2.439 0.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.036 3.661 -3.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.831 0.746 -0.694 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.123 1.352 -2.385 1.00 0.00 H new ATOM 1574 N LEU A 100 -5.566 7.831 2.067 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.733 8.405 2.790 1.00 0.00 C ATOM 1576 C LEU A 100 -7.996 8.037 2.017 1.00 0.00 C ATOM 1577 O LEU A 100 -8.035 8.117 0.806 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.600 9.928 2.872 1.00 0.00 C ATOM 1579 CG LEU A 100 -5.122 10.316 2.832 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -4.977 11.803 3.139 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -4.346 9.504 3.872 1.00 0.00 C ATOM 0 H LEU A 100 -4.994 8.495 1.546 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.780 8.008 3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.132 10.395 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.058 10.294 3.791 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.723 10.107 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.923 12.079 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.524 12.383 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.380 12.011 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.293 9.784 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.746 9.708 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.446 8.441 3.652 1.00 0.00 H new ATOM 1593 N ALA A 101 -9.023 7.609 2.697 1.00 0.00 N ATOM 1594 CA ALA A 101 -10.263 7.217 1.974 1.00 0.00 C ATOM 1595 C ALA A 101 -11.493 7.763 2.694 1.00 0.00 C ATOM 1596 O ALA A 101 -11.484 7.978 3.886 1.00 0.00 O ATOM 1597 CB ALA A 101 -10.351 5.691 1.910 1.00 0.00 C ATOM 0 H ALA A 101 -9.057 7.514 3.712 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.230 7.631 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.259 5.401 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.482 5.298 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.375 5.285 2.921 1.00 0.00 H new ATOM 1603 N GLU A 102 -12.553 7.983 1.969 1.00 0.00 N ATOM 1604 CA GLU A 102 -13.798 8.508 2.595 1.00 0.00 C ATOM 1605 C GLU A 102 -14.973 7.616 2.205 1.00 0.00 C ATOM 1606 O GLU A 102 -15.271 7.453 1.040 1.00 0.00 O ATOM 1607 CB GLU A 102 -14.052 9.934 2.092 1.00 0.00 C ATOM 1608 CG GLU A 102 -15.324 10.486 2.737 1.00 0.00 C ATOM 1609 CD GLU A 102 -15.673 11.833 2.103 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -14.856 12.342 1.353 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -16.757 12.327 2.369 1.00 0.00 O ATOM 0 H GLU A 102 -12.611 7.821 0.964 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.690 8.516 3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.203 10.573 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.152 9.935 1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.147 9.784 2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.178 10.604 3.811 1.00 0.00 H new ATOM 1619 N VAL A 103 -15.657 7.046 3.164 1.00 0.00 N ATOM 1620 CA VAL A 103 -16.816 6.177 2.817 1.00 0.00 C ATOM 1621 C VAL A 103 -17.988 7.056 2.388 1.00 0.00 C ATOM 1622 O VAL A 103 -18.315 8.042 3.019 1.00 0.00 O ATOM 1623 CB VAL A 103 -17.188 5.297 4.012 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -15.933 4.606 4.514 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -17.769 6.136 5.145 1.00 0.00 C ATOM 0 H VAL A 103 -15.464 7.144 4.161 1.00 0.00 H new ATOM 0 HA VAL A 103 -16.553 5.518 1.990 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.935 4.570 3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.182 3.974 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -15.513 3.992 3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.202 5.355 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -18.026 5.488 5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.032 6.872 5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -18.665 6.649 4.795 1.00 0.00 H new ATOM 1635 N LYS A 104 -18.584 6.723 1.283 1.00 0.00 N ATOM 1636 CA LYS A 104 -19.708 7.536 0.736 1.00 0.00 C ATOM 1637 C LYS A 104 -20.861 7.645 1.735 1.00 0.00 C ATOM 1638 O LYS A 104 -21.452 8.696 1.892 1.00 0.00 O ATOM 1639 CB LYS A 104 -20.226 6.842 -0.518 1.00 0.00 C ATOM 1640 CG LYS A 104 -19.098 6.720 -1.542 1.00 0.00 C ATOM 1641 CD LYS A 104 -19.596 5.899 -2.726 1.00 0.00 C ATOM 1642 CE LYS A 104 -18.420 5.542 -3.636 1.00 0.00 C ATOM 1643 NZ LYS A 104 -18.933 4.938 -4.897 1.00 0.00 N ATOM 0 H LYS A 104 -18.338 5.907 0.723 1.00 0.00 H new ATOM 0 HA LYS A 104 -19.341 8.540 0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -20.610 5.853 -0.266 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -21.056 7.408 -0.942 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -18.782 7.709 -1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -18.228 6.242 -1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -20.083 4.991 -2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -20.342 6.464 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -17.835 6.434 -3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -17.754 4.843 -3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.400 5.317 -5.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -18.817 3.905 -4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -19.941 5.169 -5.008 1.00 0.00 H new ATOM 1657 N ASP A 105 -21.219 6.570 2.383 1.00 0.00 N ATOM 1658 CA ASP A 105 -22.370 6.636 3.332 1.00 0.00 C ATOM 1659 C ASP A 105 -21.895 6.727 4.777 1.00 0.00 C ATOM 1660 O ASP A 105 -21.022 6.005 5.204 1.00 0.00 O ATOM 1661 CB ASP A 105 -23.235 5.388 3.167 1.00 0.00 C ATOM 1662 CG ASP A 105 -24.712 5.785 3.152 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -25.042 6.786 3.765 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -25.488 5.081 2.527 1.00 0.00 O ATOM 0 H ASP A 105 -20.771 5.658 2.299 1.00 0.00 H new ATOM 0 HA ASP A 105 -22.947 7.532 3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -22.977 4.874 2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.044 4.690 3.982 1.00 0.00 H new ATOM 1670 N TYR A 106 -22.497 7.597 5.539 1.00 0.00 N ATOM 1671 CA TYR A 106 -22.118 7.725 6.974 1.00 0.00 C ATOM 1672 C TYR A 106 -22.487 6.422 7.681 1.00 0.00 C ATOM 1673 O TYR A 106 -21.743 5.904 8.490 1.00 0.00 O ATOM 1674 CB TYR A 106 -22.887 8.894 7.602 1.00 0.00 C ATOM 1675 CG TYR A 106 -22.856 8.790 9.113 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -21.739 8.246 9.764 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -23.951 9.241 9.864 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -21.720 8.158 11.162 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -23.928 9.151 11.262 1.00 0.00 C ATOM 1680 CZ TYR A 106 -22.812 8.609 11.908 1.00 0.00 C ATOM 1681 OH TYR A 106 -22.791 8.518 13.284 1.00 0.00 O ATOM 0 H TYR A 106 -23.237 8.227 5.229 1.00 0.00 H new ATOM 0 HA TYR A 106 -21.049 7.914 7.072 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -22.447 9.840 7.286 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -23.919 8.890 7.251 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.895 7.896 9.188 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -24.813 9.658 9.364 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -20.860 7.741 11.664 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -24.771 9.500 11.840 1.00 0.00 H new ATOM 0 HH TYR A 106 -23.627 8.877 13.648 1.00 0.00 H new ATOM 1691 N ASP A 107 -23.627 5.882 7.355 1.00 0.00 N ATOM 1692 CA ASP A 107 -24.060 4.602 7.973 1.00 0.00 C ATOM 1693 C ASP A 107 -23.574 3.452 7.093 1.00 0.00 C ATOM 1694 O ASP A 107 -24.027 2.331 7.208 1.00 0.00 O ATOM 1695 CB ASP A 107 -25.587 4.561 8.080 1.00 0.00 C ATOM 1696 CG ASP A 107 -26.205 4.558 6.679 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -27.404 4.762 6.583 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -25.470 4.354 5.727 1.00 0.00 O ATOM 0 H ASP A 107 -24.282 6.277 6.681 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.639 4.513 8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -25.899 3.671 8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -25.945 5.423 8.643 1.00 0.00 H new ATOM 1704 N VAL A 108 -22.651 3.733 6.208 1.00 0.00 N ATOM 1705 CA VAL A 108 -22.122 2.673 5.307 1.00 0.00 C ATOM 1706 C VAL A 108 -21.976 1.378 6.106 1.00 0.00 C ATOM 1707 O VAL A 108 -21.600 1.383 7.261 1.00 0.00 O ATOM 1708 CB VAL A 108 -20.766 3.124 4.764 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -19.857 3.496 5.927 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -20.113 2.002 3.956 1.00 0.00 C ATOM 0 H VAL A 108 -22.241 4.657 6.073 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.800 2.500 4.471 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.917 3.986 4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.889 3.818 5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -20.310 4.307 6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.721 2.629 6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -19.149 2.340 3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -19.966 1.131 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -20.758 1.734 3.119 1.00 0.00 H new ATOM 1720 N GLU A 109 -22.295 0.272 5.504 1.00 0.00 N ATOM 1721 CA GLU A 109 -22.205 -1.019 6.225 1.00 0.00 C ATOM 1722 C GLU A 109 -20.766 -1.296 6.631 1.00 0.00 C ATOM 1723 O GLU A 109 -19.824 -0.956 5.943 1.00 0.00 O ATOM 1724 CB GLU A 109 -22.719 -2.147 5.331 1.00 0.00 C ATOM 1725 CG GLU A 109 -21.556 -3.033 4.884 1.00 0.00 C ATOM 1726 CD GLU A 109 -22.037 -4.009 3.809 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -21.195 -4.622 3.174 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -23.240 -4.124 3.638 1.00 0.00 O ATOM 0 H GLU A 109 -22.616 0.208 4.538 1.00 0.00 H new ATOM 0 HA GLU A 109 -22.819 -0.965 7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -23.454 -2.743 5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -23.225 -1.730 4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -20.746 -2.417 4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -21.156 -3.583 5.736 1.00 0.00 H new ATOM 1736 N ILE A 110 -20.609 -1.926 7.749 1.00 0.00 N ATOM 1737 CA ILE A 110 -19.251 -2.268 8.249 1.00 0.00 C ATOM 1738 C ILE A 110 -19.145 -3.782 8.434 1.00 0.00 C ATOM 1739 O ILE A 110 -19.790 -4.357 9.288 1.00 0.00 O ATOM 1740 CB ILE A 110 -19.003 -1.556 9.586 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -18.912 -0.045 9.355 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -17.701 -2.057 10.202 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -17.763 0.260 8.391 1.00 0.00 C ATOM 0 H ILE A 110 -21.375 -2.226 8.352 1.00 0.00 H new ATOM 0 HA ILE A 110 -18.501 -1.942 7.528 1.00 0.00 H new ATOM 0 HB ILE A 110 -19.829 -1.770 10.265 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -19.851 0.328 8.946 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -18.751 0.469 10.303 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -17.528 -1.549 11.151 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -17.769 -3.131 10.372 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -16.874 -1.849 9.523 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -17.700 1.336 8.228 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -16.826 -0.098 8.817 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -17.943 -0.241 7.440 1.00 0.00 H new ATOM 1755 N ARG A 111 -18.328 -4.434 7.649 1.00 0.00 N ATOM 1756 CA ARG A 111 -18.177 -5.907 7.793 1.00 0.00 C ATOM 1757 C ARG A 111 -16.831 -6.196 8.429 1.00 0.00 C ATOM 1758 O ARG A 111 -15.789 -5.888 7.883 1.00 0.00 O ATOM 1759 CB ARG A 111 -18.248 -6.573 6.422 1.00 0.00 C ATOM 1760 CG ARG A 111 -19.655 -6.401 5.867 1.00 0.00 C ATOM 1761 CD ARG A 111 -19.709 -6.891 4.419 1.00 0.00 C ATOM 1762 NE ARG A 111 -19.507 -8.366 4.386 1.00 0.00 N ATOM 1763 CZ ARG A 111 -20.526 -9.168 4.528 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -21.725 -8.680 4.710 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -20.347 -10.460 4.492 1.00 0.00 N ATOM 0 H ARG A 111 -17.761 -4.008 6.916 1.00 0.00 H new ATOM 0 HA ARG A 111 -18.979 -6.301 8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -17.518 -6.126 5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -18.001 -7.631 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -20.366 -6.960 6.476 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -19.949 -5.352 5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -20.670 -6.635 3.973 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -18.940 -6.395 3.827 1.00 0.00 H new ATOM 0 HE ARG A 111 -18.571 -8.749 4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -21.865 -7.670 4.741 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -22.520 -9.309 4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -19.411 -10.842 4.353 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -21.143 -11.088 4.603 1.00 0.00 H new ATOM 1779 N LEU A 112 -16.848 -6.767 9.589 1.00 0.00 N ATOM 1780 CA LEU A 112 -15.571 -7.060 10.284 1.00 0.00 C ATOM 1781 C LEU A 112 -15.232 -8.545 10.146 1.00 0.00 C ATOM 1782 O LEU A 112 -16.072 -9.404 10.330 1.00 0.00 O ATOM 1783 CB LEU A 112 -15.717 -6.712 11.765 1.00 0.00 C ATOM 1784 CG LEU A 112 -16.368 -5.332 11.912 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -16.259 -4.881 13.368 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -15.660 -4.320 11.002 1.00 0.00 C ATOM 0 H LEU A 112 -17.691 -7.046 10.090 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.772 -6.467 9.838 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.324 -7.466 12.267 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.739 -6.716 12.247 1.00 0.00 H new ATOM 0 HG LEU A 112 -17.417 -5.392 11.623 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -16.720 -3.900 13.480 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -16.770 -5.598 14.010 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -15.209 -4.823 13.653 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -16.128 -3.342 11.112 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.609 -4.253 11.282 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -15.739 -4.646 9.965 1.00 0.00 H new ATOM 1798 N SER A 113 -14.004 -8.856 9.840 1.00 0.00 N ATOM 1799 CA SER A 113 -13.612 -10.286 9.711 1.00 0.00 C ATOM 1800 C SER A 113 -13.411 -10.862 11.112 1.00 0.00 C ATOM 1801 O SER A 113 -13.440 -10.148 12.094 1.00 0.00 O ATOM 1802 CB SER A 113 -12.313 -10.394 8.913 1.00 0.00 C ATOM 1803 OG SER A 113 -11.247 -9.843 9.675 1.00 0.00 O ATOM 0 H SER A 113 -13.256 -8.183 9.674 1.00 0.00 H new ATOM 0 HA SER A 113 -14.391 -10.842 9.189 1.00 0.00 H new ATOM 0 HB2 SER A 113 -12.104 -11.437 8.675 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.410 -9.864 7.965 1.00 0.00 H new ATOM 0 HG SER A 113 -10.412 -9.912 9.167 1.00 0.00 H new ATOM 1809 N HIS A 114 -13.208 -12.145 11.217 1.00 0.00 N ATOM 1810 CA HIS A 114 -13.009 -12.747 12.563 1.00 0.00 C ATOM 1811 C HIS A 114 -11.913 -11.975 13.299 1.00 0.00 C ATOM 1812 O HIS A 114 -11.955 -11.807 14.501 1.00 0.00 O ATOM 1813 CB HIS A 114 -12.595 -14.213 12.412 1.00 0.00 C ATOM 1814 CG HIS A 114 -12.551 -14.864 13.769 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -13.693 -15.077 14.527 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -11.507 -15.353 14.518 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -13.315 -15.668 15.676 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -11.995 -15.858 15.718 1.00 0.00 N ATOM 0 H HIS A 114 -13.171 -12.799 10.435 1.00 0.00 H new ATOM 0 HA HIS A 114 -13.938 -12.694 13.131 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -13.301 -14.737 11.768 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -11.618 -14.279 11.933 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -10.469 -15.346 14.220 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -13.995 -15.953 16.465 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -11.457 -16.284 16.472 1.00 0.00 H new ATOM 1827 N GLU A 115 -10.929 -11.508 12.582 1.00 0.00 N ATOM 1828 CA GLU A 115 -9.823 -10.747 13.232 1.00 0.00 C ATOM 1829 C GLU A 115 -10.381 -9.515 13.954 1.00 0.00 C ATOM 1830 O GLU A 115 -9.861 -9.096 14.969 1.00 0.00 O ATOM 1831 CB GLU A 115 -8.822 -10.296 12.165 1.00 0.00 C ATOM 1832 CG GLU A 115 -7.625 -9.621 12.839 1.00 0.00 C ATOM 1833 CD GLU A 115 -6.680 -9.073 11.768 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -6.985 -9.235 10.597 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -5.670 -8.498 12.138 1.00 0.00 O ATOM 0 H GLU A 115 -10.842 -11.620 11.572 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.328 -11.392 13.958 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.488 -11.153 11.580 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.300 -9.604 11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.966 -8.813 13.486 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.099 -10.336 13.472 1.00 0.00 H new ATOM 1843 N HIS A 116 -11.427 -8.923 13.438 1.00 0.00 N ATOM 1844 CA HIS A 116 -11.995 -7.712 14.097 1.00 0.00 C ATOM 1845 C HIS A 116 -13.403 -8.019 14.619 1.00 0.00 C ATOM 1846 O HIS A 116 -14.181 -8.696 13.977 1.00 0.00 O ATOM 1847 CB HIS A 116 -12.055 -6.574 13.078 1.00 0.00 C ATOM 1848 CG HIS A 116 -10.659 -6.227 12.641 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -10.050 -6.846 11.558 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -9.742 -5.327 13.126 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -8.821 -6.315 11.425 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -8.586 -5.386 12.353 1.00 0.00 N ATOM 0 H HIS A 116 -11.910 -9.225 12.592 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.364 -7.419 14.936 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.655 -6.871 12.218 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.539 -5.702 13.517 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -9.894 -4.676 13.974 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -8.113 -6.605 10.662 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -7.736 -4.834 12.471 1.00 0.00 H new ATOM 1861 N GLN A 117 -13.727 -7.535 15.791 1.00 0.00 N ATOM 1862 CA GLN A 117 -15.076 -7.809 16.369 1.00 0.00 C ATOM 1863 C GLN A 117 -15.952 -6.552 16.316 1.00 0.00 C ATOM 1864 O GLN A 117 -17.129 -6.625 16.028 1.00 0.00 O ATOM 1865 CB GLN A 117 -14.911 -8.264 17.821 1.00 0.00 C ATOM 1866 CG GLN A 117 -16.239 -8.135 18.570 1.00 0.00 C ATOM 1867 CD GLN A 117 -17.330 -8.902 17.823 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -17.271 -10.110 17.713 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -18.331 -8.248 17.304 1.00 0.00 N ATOM 0 H GLN A 117 -13.115 -6.962 16.372 1.00 0.00 H new ATOM 0 HA GLN A 117 -15.563 -8.591 15.786 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.569 -9.298 17.849 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -14.147 -7.662 18.314 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -16.136 -8.525 19.583 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -16.516 -7.085 18.660 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -18.380 -7.233 17.397 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -19.065 -8.751 16.805 1.00 0.00 H new ATOM 1878 N ALA A 118 -15.404 -5.404 16.610 1.00 0.00 N ATOM 1879 CA ALA A 118 -16.232 -4.166 16.591 1.00 0.00 C ATOM 1880 C ALA A 118 -15.430 -2.995 16.016 1.00 0.00 C ATOM 1881 O ALA A 118 -14.216 -3.019 15.971 1.00 0.00 O ATOM 1882 CB ALA A 118 -16.664 -3.827 18.019 1.00 0.00 C ATOM 0 H ALA A 118 -14.424 -5.271 16.861 1.00 0.00 H new ATOM 0 HA ALA A 118 -17.107 -4.336 15.964 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -17.270 -2.921 18.010 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -17.249 -4.651 18.428 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.781 -3.667 18.638 1.00 0.00 H new ATOM 1888 N TYR A 119 -16.111 -1.971 15.580 1.00 0.00 N ATOM 1889 CA TYR A 119 -15.412 -0.785 15.005 1.00 0.00 C ATOM 1890 C TYR A 119 -15.989 0.498 15.608 1.00 0.00 C ATOM 1891 O TYR A 119 -17.101 0.517 16.097 1.00 0.00 O ATOM 1892 CB TYR A 119 -15.612 -0.765 13.491 1.00 0.00 C ATOM 1893 CG TYR A 119 -17.062 -0.496 13.180 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -17.972 -1.556 13.126 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -17.497 0.812 12.943 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -19.318 -1.311 12.836 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -18.846 1.060 12.653 1.00 0.00 C ATOM 1898 CZ TYR A 119 -19.755 -0.002 12.599 1.00 0.00 C ATOM 1899 OH TYR A 119 -21.083 0.242 12.312 1.00 0.00 O ATOM 0 H TYR A 119 -17.129 -1.904 15.597 1.00 0.00 H new ATOM 0 HA TYR A 119 -14.348 -0.846 15.236 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -14.984 0.003 13.040 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -15.307 -1.719 13.060 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -17.635 -2.566 13.309 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -16.794 1.631 12.983 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -20.020 -2.131 12.795 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -19.183 2.070 12.471 1.00 0.00 H new ATOM 0 HH TYR A 119 -21.217 1.203 12.176 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.244 1.571 15.572 1.00 0.00 N ATOM 1910 CA ARG A 120 -15.759 2.851 16.139 1.00 0.00 C ATOM 1911 C ARG A 120 -15.438 4.010 15.196 1.00 0.00 C ATOM 1912 O ARG A 120 -14.437 4.010 14.511 1.00 0.00 O ATOM 1913 CB ARG A 120 -15.088 3.135 17.486 1.00 0.00 C ATOM 1914 CG ARG A 120 -15.482 2.071 18.509 1.00 0.00 C ATOM 1915 CD ARG A 120 -14.911 2.460 19.873 1.00 0.00 C ATOM 1916 NE ARG A 120 -15.121 1.352 20.845 1.00 0.00 N ATOM 1917 CZ ARG A 120 -15.013 1.581 22.125 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -14.722 2.780 22.551 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -15.193 0.610 22.980 1.00 0.00 N ATOM 0 H ARG A 120 -14.305 1.616 15.176 1.00 0.00 H new ATOM 0 HA ARG A 120 -16.837 2.758 16.267 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -14.005 3.149 17.365 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.381 4.121 17.845 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.567 1.986 18.565 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.101 1.096 18.205 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -13.847 2.679 19.782 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.394 3.368 20.234 1.00 0.00 H new ATOM 0 HE ARG A 120 -15.349 0.416 20.511 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -14.579 3.538 21.883 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -14.638 2.959 23.552 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -15.418 -0.328 22.647 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -15.108 0.789 23.981 1.00 0.00 H new ATOM 1933 N TRP A 121 -16.267 5.014 15.190 1.00 0.00 N ATOM 1934 CA TRP A 121 -16.005 6.203 14.331 1.00 0.00 C ATOM 1935 C TRP A 121 -15.629 7.366 15.244 1.00 0.00 C ATOM 1936 O TRP A 121 -16.456 7.898 15.955 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.260 6.553 13.532 1.00 0.00 C ATOM 1938 CG TRP A 121 -17.355 5.644 12.353 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -18.050 4.486 12.313 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -16.737 5.798 11.046 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -17.898 3.917 11.060 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -17.097 4.691 10.242 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -15.906 6.786 10.486 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -16.646 4.570 8.928 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -15.453 6.665 9.165 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -15.821 5.560 8.388 1.00 0.00 C ATOM 0 H TRP A 121 -17.121 5.064 15.746 1.00 0.00 H new ATOM 0 HA TRP A 121 -15.197 5.995 13.629 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.146 6.450 14.159 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.220 7.592 13.204 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -18.629 4.072 13.125 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -18.325 3.035 10.776 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.616 7.642 11.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -16.933 3.716 8.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -14.816 7.429 8.744 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -15.467 5.473 7.371 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.380 7.745 15.255 1.00 0.00 N ATOM 1958 CA LEU A 122 -13.955 8.852 16.157 1.00 0.00 C ATOM 1959 C LEU A 122 -13.171 9.904 15.374 1.00 0.00 C ATOM 1960 O LEU A 122 -12.856 9.731 14.213 1.00 0.00 O ATOM 1961 CB LEU A 122 -13.061 8.299 17.271 1.00 0.00 C ATOM 1962 CG LEU A 122 -13.393 6.825 17.547 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -12.249 5.942 17.051 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -13.590 6.614 19.050 1.00 0.00 C ATOM 0 H LEU A 122 -13.640 7.339 14.682 1.00 0.00 H new ATOM 0 HA LEU A 122 -14.847 9.309 16.586 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.013 8.394 16.985 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -13.198 8.885 18.180 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.310 6.557 17.023 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.485 4.896 17.247 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.114 6.089 15.979 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.330 6.210 17.572 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.825 5.567 19.243 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.675 6.883 19.578 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.410 7.241 19.401 1.00 0.00 H new ATOM 1976 N GLY A 123 -12.848 10.995 16.014 1.00 0.00 N ATOM 1977 CA GLY A 123 -12.076 12.068 15.330 1.00 0.00 C ATOM 1978 C GLY A 123 -10.582 11.758 15.421 1.00 0.00 C ATOM 1979 O GLY A 123 -10.178 10.732 15.932 1.00 0.00 O ATOM 0 H GLY A 123 -13.088 11.189 16.986 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -12.380 12.140 14.286 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -12.287 13.033 15.791 1.00 0.00 H new ATOM 1983 N LEU A 124 -9.760 12.638 14.923 1.00 0.00 N ATOM 1984 CA LEU A 124 -8.291 12.402 14.971 1.00 0.00 C ATOM 1985 C LEU A 124 -7.828 12.240 16.422 1.00 0.00 C ATOM 1986 O LEU A 124 -6.976 11.430 16.721 1.00 0.00 O ATOM 1987 CB LEU A 124 -7.576 13.594 14.338 1.00 0.00 C ATOM 1988 CG LEU A 124 -6.061 13.408 14.435 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -5.676 12.019 13.925 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -5.369 14.464 13.574 1.00 0.00 C ATOM 0 H LEU A 124 -10.043 13.514 14.483 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.054 11.490 14.423 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -7.872 13.693 13.294 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.871 14.515 14.842 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.751 13.512 15.475 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -4.596 11.892 13.996 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.172 11.259 14.529 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -5.986 11.914 12.885 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -4.289 14.336 13.640 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.685 14.352 12.537 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.639 15.458 13.931 1.00 0.00 H new ATOM 2002 N GLU A 125 -8.375 13.012 17.318 1.00 0.00 N ATOM 2003 CA GLU A 125 -7.955 12.914 18.749 1.00 0.00 C ATOM 2004 C GLU A 125 -8.199 11.499 19.281 1.00 0.00 C ATOM 2005 O GLU A 125 -7.303 10.854 19.785 1.00 0.00 O ATOM 2006 CB GLU A 125 -8.764 13.915 19.579 1.00 0.00 C ATOM 2007 CG GLU A 125 -10.245 13.515 19.581 1.00 0.00 C ATOM 2008 CD GLU A 125 -11.074 14.641 20.203 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -11.982 15.117 19.541 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -10.787 15.007 21.332 1.00 0.00 O ATOM 0 H GLU A 125 -9.095 13.708 17.124 1.00 0.00 H new ATOM 0 HA GLU A 125 -6.891 13.139 18.824 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.385 13.944 20.600 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.650 14.918 19.168 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.582 13.320 18.563 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.383 12.592 20.145 1.00 0.00 H new ATOM 2018 N GLU A 126 -9.402 11.013 19.175 1.00 0.00 N ATOM 2019 CA GLU A 126 -9.693 9.644 19.678 1.00 0.00 C ATOM 2020 C GLU A 126 -9.022 8.624 18.767 1.00 0.00 C ATOM 2021 O GLU A 126 -8.361 7.711 19.219 1.00 0.00 O ATOM 2022 CB GLU A 126 -11.199 9.419 19.673 1.00 0.00 C ATOM 2023 CG GLU A 126 -11.758 9.575 21.090 1.00 0.00 C ATOM 2024 CD GLU A 126 -11.160 10.812 21.765 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -11.761 11.870 21.654 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -10.118 10.682 22.386 1.00 0.00 O ATOM 0 H GLU A 126 -10.195 11.504 18.762 1.00 0.00 H new ATOM 0 HA GLU A 126 -9.312 9.533 20.693 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -11.679 10.133 19.003 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.425 8.423 19.292 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -12.844 9.662 21.052 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.530 8.686 21.678 1.00 0.00 H new ATOM 2034 N ALA A 127 -9.157 8.776 17.484 1.00 0.00 N ATOM 2035 CA ALA A 127 -8.494 7.812 16.579 1.00 0.00 C ATOM 2036 C ALA A 127 -7.025 7.757 16.988 1.00 0.00 C ATOM 2037 O ALA A 127 -6.378 6.735 16.909 1.00 0.00 O ATOM 2038 CB ALA A 127 -8.624 8.295 15.138 1.00 0.00 C ATOM 0 H ALA A 127 -9.691 9.517 17.029 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.949 6.824 16.648 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -8.136 7.585 14.471 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -9.679 8.374 14.875 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -8.151 9.272 15.038 1.00 0.00 H new ATOM 2044 N CYS A 128 -6.515 8.860 17.459 1.00 0.00 N ATOM 2045 CA CYS A 128 -5.103 8.903 17.920 1.00 0.00 C ATOM 2046 C CYS A 128 -5.013 8.248 19.303 1.00 0.00 C ATOM 2047 O CYS A 128 -4.053 7.575 19.620 1.00 0.00 O ATOM 2048 CB CYS A 128 -4.652 10.363 18.011 1.00 0.00 C ATOM 2049 SG CYS A 128 -3.962 10.880 16.418 1.00 0.00 S ATOM 0 H CYS A 128 -7.022 9.741 17.544 1.00 0.00 H new ATOM 0 HA CYS A 128 -4.461 8.368 17.220 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -5.495 11.000 18.278 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.905 10.476 18.797 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.580 12.120 16.493 1.00 0.00 H new ATOM 2055 N GLN A 129 -6.011 8.443 20.128 1.00 0.00 N ATOM 2056 CA GLN A 129 -5.985 7.835 21.490 1.00 0.00 C ATOM 2057 C GLN A 129 -6.066 6.312 21.376 1.00 0.00 C ATOM 2058 O GLN A 129 -5.302 5.594 21.989 1.00 0.00 O ATOM 2059 CB GLN A 129 -7.154 8.387 22.327 1.00 0.00 C ATOM 2060 CG GLN A 129 -8.396 7.501 22.205 1.00 0.00 C ATOM 2061 CD GLN A 129 -8.260 6.289 23.126 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -7.192 6.012 23.631 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -9.310 5.553 23.378 1.00 0.00 N ATOM 0 H GLN A 129 -6.841 8.997 19.916 1.00 0.00 H new ATOM 0 HA GLN A 129 -5.051 8.094 21.990 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.855 8.454 23.373 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.393 9.398 21.998 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.287 8.071 22.468 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.520 7.173 21.173 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -10.209 5.784 22.954 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -9.231 4.747 23.998 1.00 0.00 H new ATOM 2072 N LEU A 130 -6.973 5.811 20.586 1.00 0.00 N ATOM 2073 CA LEU A 130 -7.081 4.332 20.420 1.00 0.00 C ATOM 2074 C LEU A 130 -5.852 3.827 19.668 1.00 0.00 C ATOM 2075 O LEU A 130 -5.250 2.838 20.032 1.00 0.00 O ATOM 2076 CB LEU A 130 -8.328 3.997 19.604 1.00 0.00 C ATOM 2077 CG LEU A 130 -9.581 4.404 20.376 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -10.600 5.004 19.415 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -10.192 3.170 21.038 1.00 0.00 C ATOM 0 H LEU A 130 -7.644 6.359 20.048 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.146 3.860 21.400 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -8.296 4.516 18.646 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -8.355 2.929 19.387 1.00 0.00 H new ATOM 0 HG LEU A 130 -9.313 5.139 21.135 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -11.494 5.294 19.967 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -10.171 5.882 18.932 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -10.865 4.266 18.658 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -11.087 3.458 21.590 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -10.457 2.440 20.273 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -9.469 2.730 21.724 1.00 0.00 H new ATOM 2091 N ALA A 131 -5.466 4.515 18.628 1.00 0.00 N ATOM 2092 CA ALA A 131 -4.267 4.090 17.861 1.00 0.00 C ATOM 2093 C ALA A 131 -3.036 4.546 18.634 1.00 0.00 C ATOM 2094 O ALA A 131 -2.154 5.197 18.108 1.00 0.00 O ATOM 2095 CB ALA A 131 -4.285 4.730 16.474 1.00 0.00 C ATOM 0 H ALA A 131 -5.931 5.353 18.278 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.255 3.007 17.736 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.403 4.415 15.916 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -5.183 4.417 15.941 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.282 5.815 16.574 1.00 0.00 H new ATOM 2101 N GLN A 132 -2.987 4.200 19.889 1.00 0.00 N ATOM 2102 CA GLN A 132 -1.840 4.597 20.750 1.00 0.00 C ATOM 2103 C GLN A 132 -0.545 4.539 19.944 1.00 0.00 C ATOM 2104 O GLN A 132 0.363 5.314 20.154 1.00 0.00 O ATOM 2105 CB GLN A 132 -1.731 3.617 21.915 1.00 0.00 C ATOM 2106 CG GLN A 132 -2.045 2.209 21.410 1.00 0.00 C ATOM 2107 CD GLN A 132 -1.086 1.213 22.058 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -1.496 0.171 22.529 1.00 0.00 O ATOM 2109 NE2 GLN A 132 0.188 1.496 22.106 1.00 0.00 N ATOM 0 H GLN A 132 -3.705 3.650 20.362 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.000 5.611 21.118 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.729 3.649 22.342 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.424 3.896 22.708 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -3.076 1.946 21.649 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -1.949 2.170 20.325 1.00 0.00 H new ATOM 0 HE21 GLN A 132 0.531 2.371 21.710 1.00 0.00 H new ATOM 0 HE22 GLN A 132 0.840 0.842 22.539 1.00 0.00 H new ATOM 2118 N PHE A 133 -0.450 3.619 19.030 1.00 0.00 N ATOM 2119 CA PHE A 133 0.795 3.513 18.226 1.00 0.00 C ATOM 2120 C PHE A 133 1.065 4.849 17.533 1.00 0.00 C ATOM 2121 O PHE A 133 0.233 5.373 16.819 1.00 0.00 O ATOM 2122 CB PHE A 133 0.630 2.409 17.179 1.00 0.00 C ATOM 2123 CG PHE A 133 0.116 1.149 17.842 1.00 0.00 C ATOM 2124 CD1 PHE A 133 0.545 0.797 19.134 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -0.794 0.327 17.165 1.00 0.00 C ATOM 2126 CE1 PHE A 133 0.062 -0.371 19.738 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -1.275 -0.840 17.773 1.00 0.00 C ATOM 2128 CZ PHE A 133 -0.846 -1.188 19.057 1.00 0.00 C ATOM 0 H PHE A 133 -1.176 2.939 18.805 1.00 0.00 H new ATOM 0 HA PHE A 133 1.635 3.269 18.877 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -0.064 2.732 16.403 1.00 0.00 H new ATOM 0 HB3 PHE A 133 1.585 2.211 16.691 1.00 0.00 H new ATOM 0 HD1 PHE A 133 1.247 1.427 19.661 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -1.126 0.593 16.172 1.00 0.00 H new ATOM 0 HE1 PHE A 133 0.391 -0.641 20.731 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -1.978 -1.471 17.249 1.00 0.00 H new ATOM 0 HZ PHE A 133 -1.216 -2.089 19.524 1.00 0.00 H new ATOM 2138 N LYS A 134 2.226 5.406 17.749 1.00 0.00 N ATOM 2139 CA LYS A 134 2.567 6.714 17.121 1.00 0.00 C ATOM 2140 C LYS A 134 2.457 6.620 15.597 1.00 0.00 C ATOM 2141 O LYS A 134 2.054 7.554 14.935 1.00 0.00 O ATOM 2142 CB LYS A 134 4.002 7.092 17.496 1.00 0.00 C ATOM 2143 CG LYS A 134 4.351 8.453 16.889 1.00 0.00 C ATOM 2144 CD LYS A 134 5.813 8.789 17.199 1.00 0.00 C ATOM 2145 CE LYS A 134 6.136 10.197 16.689 1.00 0.00 C ATOM 2146 NZ LYS A 134 6.863 10.097 15.392 1.00 0.00 N ATOM 0 H LYS A 134 2.958 5.008 18.338 1.00 0.00 H new ATOM 0 HA LYS A 134 1.870 7.471 17.481 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.107 7.129 18.580 1.00 0.00 H new ATOM 0 HB3 LYS A 134 4.695 6.333 17.134 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.191 8.434 15.811 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.695 9.223 17.295 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.990 8.731 18.273 1.00 0.00 H new ATOM 0 HD3 LYS A 134 6.472 8.060 16.727 1.00 0.00 H new ATOM 0 HE2 LYS A 134 5.217 10.769 16.561 1.00 0.00 H new ATOM 0 HE3 LYS A 134 6.744 10.730 17.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 7.084 11.052 15.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 7.746 9.566 15.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 6.267 9.604 14.697 1.00 0.00 H new ATOM 2160 N GLU A 135 2.834 5.506 15.034 1.00 0.00 N ATOM 2161 CA GLU A 135 2.773 5.363 13.550 1.00 0.00 C ATOM 2162 C GLU A 135 1.365 5.668 13.068 1.00 0.00 C ATOM 2163 O GLU A 135 1.164 6.341 12.077 1.00 0.00 O ATOM 2164 CB GLU A 135 3.092 3.918 13.176 1.00 0.00 C ATOM 2165 CG GLU A 135 4.311 3.460 13.965 1.00 0.00 C ATOM 2166 CD GLU A 135 4.649 2.015 13.597 1.00 0.00 C ATOM 2167 OE1 GLU A 135 3.896 1.426 12.840 1.00 0.00 O ATOM 2168 OE2 GLU A 135 5.655 1.522 14.080 1.00 0.00 O ATOM 0 H GLU A 135 3.182 4.689 15.535 1.00 0.00 H new ATOM 0 HA GLU A 135 3.487 6.049 13.094 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.239 3.275 13.394 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.285 3.840 12.106 1.00 0.00 H new ATOM 0 HG2 GLU A 135 5.160 4.109 13.750 1.00 0.00 H new ATOM 0 HG3 GLU A 135 4.114 3.537 15.034 1.00 0.00 H new ATOM 2176 N MET A 136 0.390 5.160 13.755 1.00 0.00 N ATOM 2177 CA MET A 136 -1.007 5.397 13.332 1.00 0.00 C ATOM 2178 C MET A 136 -1.446 6.789 13.766 1.00 0.00 C ATOM 2179 O MET A 136 -2.032 7.527 12.998 1.00 0.00 O ATOM 2180 CB MET A 136 -1.890 4.335 13.965 1.00 0.00 C ATOM 2181 CG MET A 136 -1.332 2.954 13.610 1.00 0.00 C ATOM 2182 SD MET A 136 -1.023 2.858 11.829 1.00 0.00 S ATOM 2183 CE MET A 136 -2.662 3.380 11.265 1.00 0.00 C ATOM 0 H MET A 136 0.501 4.590 14.593 1.00 0.00 H new ATOM 0 HA MET A 136 -1.090 5.337 12.247 1.00 0.00 H new ATOM 0 HB2 MET A 136 -1.919 4.464 15.047 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.914 4.432 13.605 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.408 2.773 14.159 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.038 2.179 13.908 1.00 0.00 H new ATOM 0 HE1 MET A 136 -2.818 3.044 10.240 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.425 2.943 11.910 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.732 4.467 11.305 1.00 0.00 H new ATOM 2193 N LYS A 137 -1.149 7.178 14.972 1.00 0.00 N ATOM 2194 CA LYS A 137 -1.539 8.543 15.395 1.00 0.00 C ATOM 2195 C LYS A 137 -0.930 9.509 14.396 1.00 0.00 C ATOM 2196 O LYS A 137 -1.503 10.523 14.063 1.00 0.00 O ATOM 2197 CB LYS A 137 -1.013 8.831 16.800 1.00 0.00 C ATOM 2198 CG LYS A 137 -1.913 8.138 17.823 1.00 0.00 C ATOM 2199 CD LYS A 137 -1.067 7.441 18.886 1.00 0.00 C ATOM 2200 CE LYS A 137 -0.376 8.467 19.788 1.00 0.00 C ATOM 2201 NZ LYS A 137 -0.328 9.793 19.111 1.00 0.00 N ATOM 0 H LYS A 137 -0.661 6.618 15.671 1.00 0.00 H new ATOM 0 HA LYS A 137 -2.624 8.647 15.421 1.00 0.00 H new ATOM 0 HB2 LYS A 137 0.012 8.474 16.898 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -0.995 9.906 16.982 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -2.571 8.869 18.293 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -2.552 7.411 17.322 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -1.698 6.787 19.488 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -0.319 6.810 18.406 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -0.912 8.552 20.733 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.635 8.133 20.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 0.034 10.508 19.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 0.300 9.738 18.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -1.285 10.060 18.802 1.00 0.00 H new ATOM 2215 N ALA A 138 0.230 9.171 13.894 1.00 0.00 N ATOM 2216 CA ALA A 138 0.890 10.033 12.883 1.00 0.00 C ATOM 2217 C ALA A 138 0.166 9.869 11.549 1.00 0.00 C ATOM 2218 O ALA A 138 -0.193 10.832 10.900 1.00 0.00 O ATOM 2219 CB ALA A 138 2.342 9.606 12.718 1.00 0.00 C ATOM 0 H ALA A 138 0.747 8.329 14.146 1.00 0.00 H new ATOM 0 HA ALA A 138 0.853 11.073 13.206 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.826 10.240 11.975 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.861 9.704 13.672 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.381 8.568 12.389 1.00 0.00 H new ATOM 2225 N ALA A 139 -0.065 8.647 11.140 1.00 0.00 N ATOM 2226 CA ALA A 139 -0.779 8.417 9.854 1.00 0.00 C ATOM 2227 C ALA A 139 -2.134 9.102 9.936 1.00 0.00 C ATOM 2228 O ALA A 139 -2.531 9.838 9.056 1.00 0.00 O ATOM 2229 CB ALA A 139 -0.980 6.916 9.642 1.00 0.00 C ATOM 0 H ALA A 139 0.210 7.803 11.642 1.00 0.00 H new ATOM 0 HA ALA A 139 -0.200 8.819 9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.503 6.748 8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.010 6.420 9.612 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -1.571 6.509 10.462 1.00 0.00 H new ATOM 2235 N LEU A 140 -2.834 8.887 11.011 1.00 0.00 N ATOM 2236 CA LEU A 140 -4.146 9.549 11.182 1.00 0.00 C ATOM 2237 C LEU A 140 -3.892 11.056 11.235 1.00 0.00 C ATOM 2238 O LEU A 140 -4.723 11.860 10.866 1.00 0.00 O ATOM 2239 CB LEU A 140 -4.773 9.081 12.499 1.00 0.00 C ATOM 2240 CG LEU A 140 -4.905 7.552 12.492 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -4.811 7.014 13.922 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -6.261 7.155 11.904 1.00 0.00 C ATOM 0 H LEU A 140 -2.550 8.279 11.779 1.00 0.00 H new ATOM 0 HA LEU A 140 -4.823 9.305 10.363 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -4.157 9.399 13.340 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -5.753 9.540 12.630 1.00 0.00 H new ATOM 0 HG LEU A 140 -4.101 7.132 11.888 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -4.906 5.928 13.909 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -3.848 7.289 14.352 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -5.613 7.441 14.525 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -6.352 6.069 11.900 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.060 7.584 12.509 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.338 7.529 10.883 1.00 0.00 H new ATOM 2254 N GLN A 141 -2.733 11.429 11.715 1.00 0.00 N ATOM 2255 CA GLN A 141 -2.376 12.873 11.826 1.00 0.00 C ATOM 2256 C GLN A 141 -2.003 13.449 10.460 1.00 0.00 C ATOM 2257 O GLN A 141 -2.519 14.467 10.043 1.00 0.00 O ATOM 2258 CB GLN A 141 -1.165 12.995 12.752 1.00 0.00 C ATOM 2259 CG GLN A 141 -1.602 13.566 14.099 1.00 0.00 C ATOM 2260 CD GLN A 141 -1.869 15.065 13.954 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -2.192 15.734 14.916 1.00 0.00 O ATOM 2262 NE2 GLN A 141 -1.745 15.628 12.782 1.00 0.00 N ATOM 0 H GLN A 141 -2.011 10.785 12.038 1.00 0.00 H new ATOM 0 HA GLN A 141 -3.233 13.423 12.216 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -0.703 12.018 12.893 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -0.413 13.641 12.299 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -2.501 13.058 14.447 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -0.828 13.394 14.847 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -1.474 15.068 11.973 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -1.919 16.627 12.675 1.00 0.00 H new ATOM 2271 N GLU A 142 -1.096 12.820 9.768 1.00 0.00 N ATOM 2272 CA GLU A 142 -0.678 13.347 8.443 1.00 0.00 C ATOM 2273 C GLU A 142 -1.854 13.282 7.469 1.00 0.00 C ATOM 2274 O GLU A 142 -2.034 14.154 6.643 1.00 0.00 O ATOM 2275 CB GLU A 142 0.487 12.513 7.912 1.00 0.00 C ATOM 2276 CG GLU A 142 1.673 12.625 8.872 1.00 0.00 C ATOM 2277 CD GLU A 142 2.868 11.871 8.291 1.00 0.00 C ATOM 2278 OE1 GLU A 142 3.939 11.961 8.868 1.00 0.00 O ATOM 2279 OE2 GLU A 142 2.691 11.216 7.278 1.00 0.00 O ATOM 0 H GLU A 142 -0.627 11.964 10.064 1.00 0.00 H new ATOM 0 HA GLU A 142 -0.361 14.385 8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 142 0.185 11.471 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 142 0.774 12.860 6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 142 1.931 13.672 9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 142 1.407 12.213 9.846 1.00 0.00 H new ATOM 2287 N GLY A 143 -2.665 12.263 7.560 1.00 0.00 N ATOM 2288 CA GLY A 143 -3.829 12.169 6.635 1.00 0.00 C ATOM 2289 C GLY A 143 -4.716 13.399 6.833 1.00 0.00 C ATOM 2290 O GLY A 143 -5.092 14.066 5.891 1.00 0.00 O ATOM 0 H GLY A 143 -2.573 11.498 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.486 12.113 5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.396 11.259 6.833 1.00 0.00 H new ATOM 2294 N HIS A 144 -5.039 13.712 8.058 1.00 0.00 N ATOM 2295 CA HIS A 144 -5.886 14.908 8.324 1.00 0.00 C ATOM 2296 C HIS A 144 -5.135 16.164 7.877 1.00 0.00 C ATOM 2297 O HIS A 144 -5.704 17.071 7.305 1.00 0.00 O ATOM 2298 CB HIS A 144 -6.178 15.000 9.824 1.00 0.00 C ATOM 2299 CG HIS A 144 -7.266 16.009 10.065 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -7.049 17.171 10.794 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -8.585 16.044 9.685 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -8.213 17.847 10.830 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -9.176 17.204 10.171 1.00 0.00 N ATOM 0 H HIS A 144 -4.752 13.190 8.886 1.00 0.00 H new ATOM 0 HA HIS A 144 -6.824 14.824 7.775 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -6.481 14.025 10.206 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -5.276 15.287 10.363 1.00 0.00 H new ATOM 0 HD1 HIS A 144 -6.170 17.459 11.223 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -9.086 15.287 9.099 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -8.349 18.794 11.331 1.00 0.00 H new ATOM 2312 N GLN A 145 -3.858 16.222 8.150 1.00 0.00 N ATOM 2313 CA GLN A 145 -3.059 17.418 7.760 1.00 0.00 C ATOM 2314 C GLN A 145 -3.122 17.631 6.245 1.00 0.00 C ATOM 2315 O GLN A 145 -3.302 18.735 5.772 1.00 0.00 O ATOM 2316 CB GLN A 145 -1.599 17.199 8.170 1.00 0.00 C ATOM 2317 CG GLN A 145 -0.804 18.487 7.948 1.00 0.00 C ATOM 2318 CD GLN A 145 -1.226 19.534 8.980 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -1.184 19.285 10.168 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -1.633 20.706 8.573 1.00 0.00 N ATOM 0 H GLN A 145 -3.333 15.489 8.628 1.00 0.00 H new ATOM 0 HA GLN A 145 -3.468 18.296 8.261 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -1.546 16.903 9.218 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -1.165 16.387 7.587 1.00 0.00 H new ATOM 0 HG2 GLN A 145 0.264 18.287 8.034 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -0.977 18.864 6.940 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -1.668 20.915 7.575 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -1.916 21.412 9.253 1.00 0.00 H new ATOM 2329 N PHE A 146 -2.963 16.588 5.481 1.00 0.00 N ATOM 2330 CA PHE A 146 -2.998 16.736 3.998 1.00 0.00 C ATOM 2331 C PHE A 146 -4.419 17.045 3.517 1.00 0.00 C ATOM 2332 O PHE A 146 -4.630 17.951 2.735 1.00 0.00 O ATOM 2333 CB PHE A 146 -2.512 15.445 3.345 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.587 15.588 1.845 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.817 15.439 1.196 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.434 15.872 1.103 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -3.897 15.572 -0.194 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.512 16.005 -0.288 1.00 0.00 C ATOM 2339 CZ PHE A 146 -2.746 15.853 -0.937 1.00 0.00 C ATOM 0 H PHE A 146 -2.810 15.638 5.819 1.00 0.00 H new ATOM 0 HA PHE A 146 -2.346 17.563 3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.488 15.232 3.651 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.124 14.605 3.673 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.706 15.221 1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -0.484 15.988 1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.848 15.458 -0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.623 16.224 -0.861 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.807 15.953 -2.011 1.00 0.00 H new ATOM 2349 N LEU A 147 -5.392 16.293 3.958 1.00 0.00 N ATOM 2350 CA LEU A 147 -6.788 16.548 3.498 1.00 0.00 C ATOM 2351 C LEU A 147 -7.173 17.998 3.790 1.00 0.00 C ATOM 2352 O LEU A 147 -7.833 18.645 3.002 1.00 0.00 O ATOM 2353 CB LEU A 147 -7.753 15.601 4.213 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.426 14.154 3.829 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.404 13.209 4.519 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -7.559 13.983 2.317 1.00 0.00 C ATOM 0 H LEU A 147 -5.282 15.518 4.612 1.00 0.00 H new ATOM 0 HA LEU A 147 -6.847 16.372 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.673 15.729 5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -8.781 15.838 3.940 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.407 13.924 4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.170 12.180 4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.321 13.325 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.421 13.446 4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.326 12.953 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -8.579 14.217 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.867 14.657 1.812 1.00 0.00 H new ATOM 2368 N CYS A 148 -6.757 18.521 4.907 1.00 0.00 N ATOM 2369 CA CYS A 148 -7.088 19.934 5.229 1.00 0.00 C ATOM 2370 C CYS A 148 -6.354 20.849 4.248 1.00 0.00 C ATOM 2371 O CYS A 148 -6.648 22.021 4.130 1.00 0.00 O ATOM 2372 CB CYS A 148 -6.644 20.250 6.661 1.00 0.00 C ATOM 2373 SG CYS A 148 -7.679 19.332 7.827 1.00 0.00 S ATOM 0 H CYS A 148 -6.203 18.032 5.610 1.00 0.00 H new ATOM 0 HA CYS A 148 -8.163 20.092 5.146 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -5.597 19.980 6.797 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -6.725 21.320 6.851 1.00 0.00 H new ATOM 0 HG CYS A 148 -7.216 18.125 7.961 1.00 0.00 H new ATOM 2379 N SER A 149 -5.385 20.316 3.549 1.00 0.00 N ATOM 2380 CA SER A 149 -4.610 21.145 2.581 1.00 0.00 C ATOM 2381 C SER A 149 -5.305 21.162 1.216 1.00 0.00 C ATOM 2382 O SER A 149 -4.967 21.947 0.352 1.00 0.00 O ATOM 2383 CB SER A 149 -3.210 20.552 2.422 1.00 0.00 C ATOM 2384 OG SER A 149 -2.248 21.595 2.487 1.00 0.00 O ATOM 0 H SER A 149 -5.097 19.339 3.608 1.00 0.00 H new ATOM 0 HA SER A 149 -4.547 22.165 2.960 1.00 0.00 H new ATOM 0 HB2 SER A 149 -3.022 19.819 3.206 1.00 0.00 H new ATOM 0 HB3 SER A 149 -3.131 20.027 1.470 1.00 0.00 H new ATOM 0 HG SER A 149 -1.349 21.218 2.387 1.00 0.00 H new ATOM 2390 N ILE A 150 -6.266 20.306 1.003 1.00 0.00 N ATOM 2391 CA ILE A 150 -6.954 20.294 -0.314 1.00 0.00 C ATOM 2392 C ILE A 150 -8.034 21.374 -0.325 1.00 0.00 C ATOM 2393 O ILE A 150 -7.789 22.520 0.002 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.605 18.930 -0.557 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.788 17.824 0.109 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -7.659 18.662 -2.060 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -7.584 16.520 0.049 1.00 0.00 C ATOM 0 H ILE A 150 -6.601 19.620 1.679 1.00 0.00 H new ATOM 0 HA ILE A 150 -6.224 20.486 -1.100 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.610 18.939 -0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.830 17.705 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.571 18.086 1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -8.122 17.692 -2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -8.246 19.440 -2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.648 18.663 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -7.011 15.722 0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -8.531 16.647 0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.778 16.260 -0.992 1.00 0.00 H new