USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 988 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 128 CYS SG : rot 180:sc= 0.193 USER MOD Set 1.2: A 129 GLN : amide:sc= -8.65! C(o=-8.5!,f=-4.5!) USER MOD Set 2.1: A 37 SER OG : rot -16:sc= 0.714 USER MOD Set 2.2: A 117 GLN : amide:sc= -1.64! K(o=-0.93!,f=0.3) USER MOD Set 3.1: A 19 CYS SG : rot 65:sc= 0.894 USER MOD Set 3.2: A 106 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 44 THR OG1 : rot 100:sc= 0.61 USER MOD Set 4.2: A 47 LYS NZ :NH3+ -168:sc= -5.37! (180deg=-4.42!) USER MOD Set 4.3: A 98 TYR OH : rot 171:sc= -1.91 USER MOD Single : A 11 CYS SG : rot -100:sc= -10.7! USER MOD Single : A 35 GLN : amide:sc= -1.53! K(o=-1.5!,f=-0.061) USER MOD Single : A 42 HIS : no HD1:sc= -3.64! K(o=-3.6!,f=-1.4) USER MOD Single : A 49 HIS : no HD1:sc= -6.23! C(o=-6.2!,f=-2.6!) USER MOD Single : A 59 THR OG1 : rot -70:sc= -2.41! USER MOD Single : A 64 THR OG1 : rot 55:sc= -2.78 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 74 GLN : amide:sc= -10.6! C(o=-11!,f=-7.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= -0.675 (180deg=-0.79) USER MOD Single : A 86 ASN : amide:sc= -13.7! C(o=-14!,f=-5.5!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 160:sc= 0.976 (180deg=0.708) USER MOD Single : A 113 SER OG : rot 100:sc= 1 USER MOD Single : A 114 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-2.8!) USER MOD Single : A 116 HIS : no HD1:sc= -3.48 X(o=-3.5,f=-3.9!) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 GLN : amide:sc= 0.0866 K(o=0.087,f=-1.2!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -145:sc= -6.05! (180deg=-6.5!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.011) USER MOD Single : A 144 HIS : no HE2:sc= -15.5! C(o=-15!,f=-22!) USER MOD Single : A 145 GLN : amide:sc= -0.0937 K(o=-0.094,f=-0.79) USER MOD Single : A 148 CYS SG : rot -72:sc= 0.713 USER MOD Single : A 149 SER OG : rot -39:sc= 0.0229 USER MOD ----------------------------------------------------------------- ATOM 105 N ARG A 9 11.654 -3.606 -6.641 1.00 0.00 N ATOM 106 CA ARG A 9 10.929 -2.493 -7.305 1.00 0.00 C ATOM 107 C ARG A 9 9.942 -3.101 -8.296 1.00 0.00 C ATOM 108 O ARG A 9 10.325 -3.757 -9.243 1.00 0.00 O ATOM 109 CB ARG A 9 11.919 -1.574 -8.026 1.00 0.00 C ATOM 110 CG ARG A 9 11.283 -1.003 -9.297 1.00 0.00 C ATOM 111 CD ARG A 9 12.214 0.047 -9.905 1.00 0.00 C ATOM 112 NE ARG A 9 13.374 -0.633 -10.550 1.00 0.00 N ATOM 113 CZ ARG A 9 14.509 -0.001 -10.690 1.00 0.00 C ATOM 114 NH1 ARG A 9 14.630 1.226 -10.264 1.00 0.00 N ATOM 115 NH2 ARG A 9 15.523 -0.599 -11.256 1.00 0.00 N ATOM 0 HA ARG A 9 10.395 -1.893 -6.568 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.220 -0.761 -7.365 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.822 -2.129 -8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.100 -1.802 -10.015 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.316 -0.556 -9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.675 0.645 -10.639 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.563 0.731 -9.131 1.00 0.00 H new ATOM 0 HE ARG A 9 13.281 -1.593 -10.882 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.838 1.693 -9.821 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.516 1.719 -10.374 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.428 -1.559 -11.588 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.409 -0.106 -11.366 1.00 0.00 H new ATOM 129 N ALA A 10 8.677 -2.903 -8.077 1.00 0.00 N ATOM 130 CA ALA A 10 7.666 -3.484 -8.999 1.00 0.00 C ATOM 131 C ALA A 10 6.984 -2.354 -9.759 1.00 0.00 C ATOM 132 O ALA A 10 7.162 -1.194 -9.455 1.00 0.00 O ATOM 133 CB ALA A 10 6.631 -4.272 -8.189 1.00 0.00 C ATOM 0 H ALA A 10 8.297 -2.364 -7.299 1.00 0.00 H new ATOM 0 HA ALA A 10 8.149 -4.158 -9.707 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.889 -4.699 -8.864 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.129 -5.074 -7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.138 -3.605 -7.482 1.00 0.00 H new ATOM 139 N CYS A 11 6.228 -2.674 -10.763 1.00 0.00 N ATOM 140 CA CYS A 11 5.567 -1.600 -11.541 1.00 0.00 C ATOM 141 C CYS A 11 4.182 -2.056 -11.995 1.00 0.00 C ATOM 142 O CYS A 11 3.983 -3.194 -12.371 1.00 0.00 O ATOM 143 CB CYS A 11 6.437 -1.267 -12.751 1.00 0.00 C ATOM 144 SG CYS A 11 8.008 -2.154 -12.618 1.00 0.00 S ATOM 0 H CYS A 11 6.039 -3.626 -11.078 1.00 0.00 H new ATOM 0 HA CYS A 11 5.447 -0.713 -10.919 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.924 -1.548 -13.671 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.615 -0.193 -12.801 1.00 0.00 H new ATOM 0 HG CYS A 11 8.925 -1.348 -12.173 1.00 0.00 H new ATOM 150 N GLY A 12 3.221 -1.173 -11.961 1.00 0.00 N ATOM 151 CA GLY A 12 1.841 -1.550 -12.391 1.00 0.00 C ATOM 152 C GLY A 12 1.174 -0.364 -13.093 1.00 0.00 C ATOM 153 O GLY A 12 1.730 0.714 -13.172 1.00 0.00 O ATOM 0 H GLY A 12 3.330 -0.206 -11.654 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.881 -2.407 -13.064 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.250 -1.851 -11.526 1.00 0.00 H new ATOM 157 N LEU A 13 -0.018 -0.553 -13.601 1.00 0.00 N ATOM 158 CA LEU A 13 -0.719 0.569 -14.294 1.00 0.00 C ATOM 159 C LEU A 13 -1.987 0.959 -13.545 1.00 0.00 C ATOM 160 O LEU A 13 -2.844 0.134 -13.294 1.00 0.00 O ATOM 161 CB LEU A 13 -1.169 0.138 -15.697 1.00 0.00 C ATOM 162 CG LEU A 13 0.020 -0.145 -16.607 1.00 0.00 C ATOM 163 CD1 LEU A 13 -0.497 -0.500 -18.000 1.00 0.00 C ATOM 164 CD2 LEU A 13 0.883 1.105 -16.717 1.00 0.00 C ATOM 0 H LEU A 13 -0.534 -1.432 -13.566 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.016 1.401 -14.339 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.791 -0.754 -15.622 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.787 0.921 -16.138 1.00 0.00 H new ATOM 0 HG LEU A 13 0.606 -0.967 -16.196 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.346 -0.705 -18.660 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.132 -1.384 -17.938 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.075 0.335 -18.397 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.734 0.904 -17.368 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.292 1.920 -17.135 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.242 1.388 -15.727 1.00 0.00 H new ATOM 176 N ILE A 14 -2.166 2.218 -13.258 1.00 0.00 N ATOM 177 CA ILE A 14 -3.437 2.629 -12.620 1.00 0.00 C ATOM 178 C ILE A 14 -4.492 2.467 -13.705 1.00 0.00 C ATOM 179 O ILE A 14 -4.753 3.376 -14.470 1.00 0.00 O ATOM 180 CB ILE A 14 -3.357 4.096 -12.189 1.00 0.00 C ATOM 181 CG1 ILE A 14 -2.397 4.232 -11.008 1.00 0.00 C ATOM 182 CG2 ILE A 14 -4.741 4.616 -11.798 1.00 0.00 C ATOM 183 CD1 ILE A 14 -2.926 3.444 -9.806 1.00 0.00 C ATOM 0 H ILE A 14 -1.496 2.966 -13.436 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.661 2.038 -11.732 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.988 4.689 -13.026 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.410 3.864 -11.288 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.282 5.283 -10.742 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.665 5.660 -11.494 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.415 4.534 -12.651 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.131 4.025 -10.970 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.234 3.548 -8.970 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.903 3.832 -9.519 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.017 2.391 -10.073 1.00 0.00 H new ATOM 195 N ILE A 15 -5.067 1.307 -13.815 1.00 0.00 N ATOM 196 CA ILE A 15 -6.058 1.090 -14.895 1.00 0.00 C ATOM 197 C ILE A 15 -7.398 1.694 -14.509 1.00 0.00 C ATOM 198 O ILE A 15 -7.901 1.496 -13.422 1.00 0.00 O ATOM 199 CB ILE A 15 -6.225 -0.404 -15.159 1.00 0.00 C ATOM 200 CG1 ILE A 15 -4.871 -1.013 -15.533 1.00 0.00 C ATOM 201 CG2 ILE A 15 -7.205 -0.603 -16.313 1.00 0.00 C ATOM 202 CD1 ILE A 15 -5.093 -2.390 -16.156 1.00 0.00 C ATOM 0 H ILE A 15 -4.895 0.506 -13.208 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.697 1.577 -15.801 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.607 -0.893 -14.262 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.348 -0.363 -16.235 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.241 -1.099 -14.648 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.328 -1.669 -16.506 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.169 -0.168 -16.051 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.818 -0.115 -17.207 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.131 -2.827 -16.424 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.599 -3.037 -15.439 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.708 -2.290 -17.050 1.00 0.00 H new ATOM 214 N PHE A 16 -7.980 2.428 -15.409 1.00 0.00 N ATOM 215 CA PHE A 16 -9.291 3.053 -15.125 1.00 0.00 C ATOM 216 C PHE A 16 -10.063 3.229 -16.433 1.00 0.00 C ATOM 217 O PHE A 16 -9.490 3.360 -17.497 1.00 0.00 O ATOM 218 CB PHE A 16 -9.074 4.424 -14.489 1.00 0.00 C ATOM 219 CG PHE A 16 -8.524 5.365 -15.526 1.00 0.00 C ATOM 220 CD1 PHE A 16 -9.394 5.987 -16.425 1.00 0.00 C ATOM 221 CD2 PHE A 16 -7.150 5.617 -15.587 1.00 0.00 C ATOM 222 CE1 PHE A 16 -8.891 6.861 -17.390 1.00 0.00 C ATOM 223 CE2 PHE A 16 -6.645 6.492 -16.554 1.00 0.00 C ATOM 224 CZ PHE A 16 -7.516 7.116 -17.456 1.00 0.00 C ATOM 0 H PHE A 16 -7.599 2.622 -16.335 1.00 0.00 H new ATOM 0 HA PHE A 16 -9.855 2.416 -14.444 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -10.014 4.808 -14.093 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.384 4.344 -13.649 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -10.455 5.792 -16.373 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.480 5.137 -14.889 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.563 7.341 -18.086 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.584 6.686 -16.605 1.00 0.00 H new ATOM 0 HZ PHE A 16 -7.127 7.793 -18.202 1.00 0.00 H new ATOM 234 N ARG A 17 -11.360 3.251 -16.354 1.00 0.00 N ATOM 235 CA ARG A 17 -12.194 3.437 -17.576 1.00 0.00 C ATOM 236 C ARG A 17 -13.179 4.584 -17.341 1.00 0.00 C ATOM 237 O ARG A 17 -13.849 4.638 -16.329 1.00 0.00 O ATOM 238 CB ARG A 17 -12.971 2.148 -17.869 1.00 0.00 C ATOM 239 CG ARG A 17 -14.041 2.400 -18.946 1.00 0.00 C ATOM 240 CD ARG A 17 -13.384 2.686 -20.301 1.00 0.00 C ATOM 241 NE ARG A 17 -14.407 3.233 -21.237 1.00 0.00 N ATOM 242 CZ ARG A 17 -14.077 3.538 -22.461 1.00 0.00 C ATOM 243 NH1 ARG A 17 -12.851 3.365 -22.870 1.00 0.00 N ATOM 244 NH2 ARG A 17 -14.974 4.020 -23.277 1.00 0.00 N ATOM 0 H ARG A 17 -11.887 3.147 -15.487 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.552 3.671 -18.425 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.285 1.370 -18.204 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.443 1.785 -16.956 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.694 1.531 -19.028 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.667 3.243 -18.654 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.568 3.398 -20.180 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.952 1.772 -20.709 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.367 3.369 -20.919 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.149 2.991 -22.232 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.594 3.604 -23.828 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.933 4.158 -22.957 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.716 4.259 -24.235 1.00 0.00 H new ATOM 258 N ARG A 18 -13.283 5.495 -18.271 1.00 0.00 N ATOM 259 CA ARG A 18 -14.238 6.623 -18.091 1.00 0.00 C ATOM 260 C ARG A 18 -15.538 6.310 -18.829 1.00 0.00 C ATOM 261 O ARG A 18 -15.534 5.914 -19.978 1.00 0.00 O ATOM 262 CB ARG A 18 -13.626 7.922 -18.618 1.00 0.00 C ATOM 263 CG ARG A 18 -13.387 7.820 -20.123 1.00 0.00 C ATOM 264 CD ARG A 18 -12.543 9.012 -20.579 1.00 0.00 C ATOM 265 NE ARG A 18 -13.415 9.995 -21.282 1.00 0.00 N ATOM 266 CZ ARG A 18 -13.699 9.828 -22.545 1.00 0.00 C ATOM 267 NH1 ARG A 18 -13.220 8.802 -23.192 1.00 0.00 N ATOM 268 NH2 ARG A 18 -14.466 10.688 -23.161 1.00 0.00 N ATOM 0 H ARG A 18 -12.751 5.506 -19.141 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.451 6.750 -17.030 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.291 8.759 -18.404 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.685 8.123 -18.106 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.877 6.886 -20.360 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.338 7.808 -20.655 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.064 9.483 -19.720 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.747 8.675 -21.243 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.790 10.798 -20.777 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.623 8.129 -22.711 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.442 8.672 -24.179 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.843 11.490 -22.655 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.688 10.558 -24.148 1.00 0.00 H new ATOM 282 N CYS A 19 -16.651 6.479 -18.172 1.00 0.00 N ATOM 283 CA CYS A 19 -17.953 6.185 -18.830 1.00 0.00 C ATOM 284 C CYS A 19 -18.432 7.415 -19.591 1.00 0.00 C ATOM 285 O CYS A 19 -17.781 8.441 -19.616 1.00 0.00 O ATOM 286 CB CYS A 19 -18.996 5.808 -17.777 1.00 0.00 C ATOM 287 SG CYS A 19 -18.262 4.670 -16.575 1.00 0.00 S ATOM 0 H CYS A 19 -16.715 6.808 -17.209 1.00 0.00 H new ATOM 0 HA CYS A 19 -17.820 5.354 -19.522 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -19.357 6.704 -17.271 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -19.858 5.342 -18.255 1.00 0.00 H new ATOM 0 HG CYS A 19 -17.322 5.281 -15.917 1.00 0.00 H new ATOM 424 N ALA A 28 -17.895 8.979 -13.862 1.00 0.00 N ATOM 425 CA ALA A 28 -17.713 8.294 -15.168 1.00 0.00 C ATOM 426 C ALA A 28 -16.397 7.518 -15.147 1.00 0.00 C ATOM 427 O ALA A 28 -16.210 6.576 -15.887 1.00 0.00 O ATOM 428 CB ALA A 28 -17.674 9.334 -16.290 1.00 0.00 C ATOM 0 HA ALA A 28 -18.542 7.608 -15.341 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.540 8.831 -17.248 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.610 9.893 -16.301 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.844 10.020 -16.122 1.00 0.00 H new ATOM 434 N ILE A 29 -15.482 7.909 -14.300 1.00 0.00 N ATOM 435 CA ILE A 29 -14.173 7.198 -14.238 1.00 0.00 C ATOM 436 C ILE A 29 -14.222 6.098 -13.180 1.00 0.00 C ATOM 437 O ILE A 29 -14.693 6.295 -12.077 1.00 0.00 O ATOM 438 CB ILE A 29 -13.071 8.193 -13.881 1.00 0.00 C ATOM 439 CG1 ILE A 29 -13.080 9.350 -14.891 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.717 7.476 -13.907 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.784 9.360 -15.707 1.00 0.00 C ATOM 0 H ILE A 29 -15.585 8.688 -13.650 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.966 6.750 -15.210 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.243 8.595 -12.883 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.936 9.251 -15.558 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.193 10.298 -14.366 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.926 8.182 -13.653 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.723 6.661 -13.183 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.537 7.074 -14.904 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.808 10.186 -16.418 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.933 9.482 -15.037 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.688 8.419 -16.248 1.00 0.00 H new ATOM 453 N GLU A 30 -13.729 4.936 -13.515 1.00 0.00 N ATOM 454 CA GLU A 30 -13.734 3.810 -12.545 1.00 0.00 C ATOM 455 C GLU A 30 -12.341 3.178 -12.507 1.00 0.00 C ATOM 456 O GLU A 30 -11.574 3.308 -13.437 1.00 0.00 O ATOM 457 CB GLU A 30 -14.760 2.763 -12.988 1.00 0.00 C ATOM 458 CG GLU A 30 -16.150 3.398 -13.037 1.00 0.00 C ATOM 459 CD GLU A 30 -17.184 2.336 -13.419 1.00 0.00 C ATOM 460 OE1 GLU A 30 -18.365 2.634 -13.345 1.00 0.00 O ATOM 461 OE2 GLU A 30 -16.776 1.244 -13.776 1.00 0.00 O ATOM 0 H GLU A 30 -13.321 4.720 -14.425 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.998 4.177 -11.553 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.494 2.370 -13.969 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.758 1.921 -12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.398 3.830 -12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.164 4.212 -13.762 1.00 0.00 H new ATOM 469 N PHE A 31 -12.008 2.491 -11.446 1.00 0.00 N ATOM 470 CA PHE A 31 -10.662 1.853 -11.368 1.00 0.00 C ATOM 471 C PHE A 31 -10.803 0.337 -11.437 1.00 0.00 C ATOM 472 O PHE A 31 -11.740 -0.239 -10.918 1.00 0.00 O ATOM 473 CB PHE A 31 -9.975 2.216 -10.051 1.00 0.00 C ATOM 474 CG PHE A 31 -9.600 3.675 -10.047 1.00 0.00 C ATOM 475 CD1 PHE A 31 -8.675 4.162 -10.974 1.00 0.00 C ATOM 476 CD2 PHE A 31 -10.165 4.535 -9.104 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.314 5.517 -10.957 1.00 0.00 C ATOM 478 CE2 PHE A 31 -9.809 5.885 -9.087 1.00 0.00 C ATOM 479 CZ PHE A 31 -8.883 6.379 -10.011 1.00 0.00 C ATOM 0 H PHE A 31 -12.607 2.345 -10.634 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.064 2.214 -12.205 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.639 2.001 -9.214 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.084 1.603 -9.916 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.238 3.495 -11.703 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.878 4.156 -8.387 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.598 5.895 -11.672 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.250 6.549 -8.358 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.607 7.423 -9.995 1.00 0.00 H new ATOM 489 N LEU A 32 -9.869 -0.313 -12.067 1.00 0.00 N ATOM 490 CA LEU A 32 -9.925 -1.792 -12.171 1.00 0.00 C ATOM 491 C LEU A 32 -8.889 -2.402 -11.209 1.00 0.00 C ATOM 492 O LEU A 32 -7.697 -2.341 -11.438 1.00 0.00 O ATOM 493 CB LEU A 32 -9.644 -2.174 -13.637 1.00 0.00 C ATOM 494 CG LEU A 32 -9.179 -3.632 -13.762 1.00 0.00 C ATOM 495 CD1 LEU A 32 -10.315 -4.585 -13.397 1.00 0.00 C ATOM 496 CD2 LEU A 32 -8.769 -3.905 -15.210 1.00 0.00 C ATOM 0 H LEU A 32 -9.063 0.121 -12.517 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.904 -2.179 -11.890 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.546 -2.027 -14.231 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.881 -1.512 -14.046 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.339 -3.791 -13.086 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.970 -5.615 -13.490 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.630 -4.399 -12.370 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.157 -4.422 -14.070 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.438 -4.939 -15.306 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.621 -3.735 -15.868 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.955 -3.236 -15.490 1.00 0.00 H new ATOM 508 N LEU A 33 -9.348 -2.988 -10.126 1.00 0.00 N ATOM 509 CA LEU A 33 -8.414 -3.606 -9.129 1.00 0.00 C ATOM 510 C LEU A 33 -8.579 -5.126 -9.162 1.00 0.00 C ATOM 511 O LEU A 33 -9.594 -5.632 -9.593 1.00 0.00 O ATOM 512 CB LEU A 33 -8.744 -3.115 -7.714 1.00 0.00 C ATOM 513 CG LEU A 33 -8.406 -1.627 -7.561 1.00 0.00 C ATOM 514 CD1 LEU A 33 -9.053 -1.090 -6.284 1.00 0.00 C ATOM 515 CD2 LEU A 33 -6.892 -1.455 -7.446 1.00 0.00 C ATOM 0 H LEU A 33 -10.337 -3.065 -9.889 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.393 -3.324 -9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.802 -3.275 -7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.184 -3.697 -6.982 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.778 -1.084 -8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.815 -0.032 -6.172 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.134 -1.214 -6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.672 -1.641 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.653 -0.397 -7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.529 -2.000 -6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.412 -1.845 -8.344 1.00 0.00 H new ATOM 527 N LEU A 34 -7.588 -5.858 -8.720 1.00 0.00 N ATOM 528 CA LEU A 34 -7.695 -7.347 -8.739 1.00 0.00 C ATOM 529 C LEU A 34 -7.573 -7.925 -7.329 1.00 0.00 C ATOM 530 O LEU A 34 -6.734 -7.519 -6.552 1.00 0.00 O ATOM 531 CB LEU A 34 -6.569 -7.925 -9.591 1.00 0.00 C ATOM 532 CG LEU A 34 -6.630 -7.327 -10.991 1.00 0.00 C ATOM 533 CD1 LEU A 34 -5.621 -8.037 -11.888 1.00 0.00 C ATOM 534 CD2 LEU A 34 -8.031 -7.528 -11.554 1.00 0.00 C ATOM 0 H LEU A 34 -6.712 -5.490 -8.348 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.669 -7.610 -9.151 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.604 -7.707 -9.133 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.659 -9.010 -9.644 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.395 -6.263 -10.949 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.662 -7.611 -12.890 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.618 -7.909 -11.480 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.860 -9.099 -11.935 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.085 -7.103 -12.556 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.256 -8.594 -11.599 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.757 -7.031 -10.910 1.00 0.00 H new ATOM 546 N GLN A 35 -8.378 -8.907 -7.008 1.00 0.00 N ATOM 547 CA GLN A 35 -8.270 -9.539 -5.663 1.00 0.00 C ATOM 548 C GLN A 35 -7.534 -10.867 -5.831 1.00 0.00 C ATOM 549 O GLN A 35 -7.994 -11.757 -6.518 1.00 0.00 O ATOM 550 CB GLN A 35 -9.658 -9.795 -5.077 1.00 0.00 C ATOM 551 CG GLN A 35 -9.565 -9.820 -3.549 1.00 0.00 C ATOM 552 CD GLN A 35 -10.942 -10.122 -2.954 1.00 0.00 C ATOM 553 OE1 GLN A 35 -11.074 -10.304 -1.760 1.00 0.00 O ATOM 554 NE2 GLN A 35 -11.981 -10.181 -3.742 1.00 0.00 N ATOM 0 H GLN A 35 -9.100 -9.294 -7.616 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.732 -8.878 -4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.350 -9.017 -5.398 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.051 -10.743 -5.444 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.847 -10.576 -3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.202 -8.860 -3.181 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.870 -10.028 -4.744 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.904 -10.380 -3.355 1.00 0.00 H new ATOM 563 N ALA A 36 -6.385 -11.006 -5.234 1.00 0.00 N ATOM 564 CA ALA A 36 -5.624 -12.274 -5.394 1.00 0.00 C ATOM 565 C ALA A 36 -6.251 -13.379 -4.542 1.00 0.00 C ATOM 566 O ALA A 36 -6.317 -13.287 -3.335 1.00 0.00 O ATOM 567 CB ALA A 36 -4.176 -12.048 -4.964 1.00 0.00 C ATOM 0 H ALA A 36 -5.942 -10.301 -4.645 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.653 -12.581 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.613 -12.974 -5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.729 -11.272 -5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.151 -11.736 -3.920 1.00 0.00 H new ATOM 573 N SER A 37 -6.708 -14.428 -5.170 1.00 0.00 N ATOM 574 CA SER A 37 -7.329 -15.546 -4.404 1.00 0.00 C ATOM 575 C SER A 37 -6.246 -16.538 -3.979 1.00 0.00 C ATOM 576 O SER A 37 -6.501 -17.481 -3.258 1.00 0.00 O ATOM 577 CB SER A 37 -8.353 -16.261 -5.287 1.00 0.00 C ATOM 578 OG SER A 37 -8.822 -17.422 -4.613 1.00 0.00 O ATOM 0 H SER A 37 -6.678 -14.559 -6.181 1.00 0.00 H new ATOM 0 HA SER A 37 -7.825 -15.147 -3.519 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.186 -15.595 -5.511 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.900 -16.537 -6.239 1.00 0.00 H new ATOM 0 HG SER A 37 -8.216 -17.638 -3.873 1.00 0.00 H new ATOM 641 N HIS A 42 -6.226 -9.628 -1.370 1.00 0.00 N ATOM 642 CA HIS A 42 -5.998 -8.158 -1.281 1.00 0.00 C ATOM 643 C HIS A 42 -6.294 -7.526 -2.641 1.00 0.00 C ATOM 644 O HIS A 42 -6.120 -8.145 -3.671 1.00 0.00 O ATOM 645 CB HIS A 42 -4.536 -7.892 -0.908 1.00 0.00 C ATOM 646 CG HIS A 42 -3.635 -8.395 -2.006 1.00 0.00 C ATOM 647 ND1 HIS A 42 -2.716 -9.417 -1.805 1.00 0.00 N ATOM 648 CD2 HIS A 42 -3.499 -8.026 -3.323 1.00 0.00 C ATOM 649 CE1 HIS A 42 -2.076 -9.624 -2.971 1.00 0.00 C ATOM 650 NE2 HIS A 42 -2.517 -8.804 -3.925 1.00 0.00 N ATOM 0 HA HIS A 42 -6.652 -7.728 -0.522 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.378 -6.825 -0.754 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.294 -8.389 0.031 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.068 -7.251 -3.815 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.301 -10.363 -3.116 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.200 -8.757 -4.893 1.00 0.00 H new ATOM 659 N TRP A 43 -6.740 -6.300 -2.657 1.00 0.00 N ATOM 660 CA TRP A 43 -7.046 -5.642 -3.958 1.00 0.00 C ATOM 661 C TRP A 43 -5.881 -4.736 -4.369 1.00 0.00 C ATOM 662 O TRP A 43 -5.351 -3.992 -3.571 1.00 0.00 O ATOM 663 CB TRP A 43 -8.297 -4.777 -3.818 1.00 0.00 C ATOM 664 CG TRP A 43 -9.530 -5.622 -3.809 1.00 0.00 C ATOM 665 CD1 TRP A 43 -10.220 -5.977 -2.702 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.246 -6.194 -4.938 1.00 0.00 C ATOM 667 NE1 TRP A 43 -11.315 -6.731 -3.081 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.375 -6.894 -4.450 1.00 0.00 C ATOM 669 CE3 TRP A 43 -10.028 -6.173 -6.327 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.257 -7.548 -5.310 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -10.913 -6.833 -7.195 1.00 0.00 C ATOM 672 CH2 TRP A 43 -12.024 -7.518 -6.686 1.00 0.00 C ATOM 0 H TRP A 43 -6.905 -5.728 -1.829 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.204 -6.415 -4.710 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.242 -4.197 -2.897 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.345 -4.064 -4.641 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.959 -5.715 -1.688 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -11.996 -7.120 -2.428 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.175 -5.646 -6.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -13.114 -8.074 -4.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.736 -6.812 -8.260 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -12.701 -8.023 -7.359 1.00 0.00 H new ATOM 683 N THR A 44 -5.495 -4.780 -5.614 1.00 0.00 N ATOM 684 CA THR A 44 -4.383 -3.905 -6.078 1.00 0.00 C ATOM 685 C THR A 44 -4.328 -3.924 -7.610 1.00 0.00 C ATOM 686 O THR A 44 -4.583 -4.939 -8.225 1.00 0.00 O ATOM 687 CB THR A 44 -3.055 -4.409 -5.512 1.00 0.00 C ATOM 688 OG1 THR A 44 -2.003 -3.570 -5.966 1.00 0.00 O ATOM 689 CG2 THR A 44 -2.807 -5.844 -5.979 1.00 0.00 C ATOM 0 H THR A 44 -5.901 -5.383 -6.329 1.00 0.00 H new ATOM 0 HA THR A 44 -4.556 -2.887 -5.730 1.00 0.00 H new ATOM 0 HB THR A 44 -3.093 -4.389 -4.423 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.765 -2.933 -5.260 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.860 -6.200 -5.574 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.616 -6.486 -5.629 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.769 -5.871 -7.068 1.00 0.00 H new ATOM 697 N PRO A 45 -3.992 -2.817 -8.224 1.00 0.00 N ATOM 698 CA PRO A 45 -3.901 -2.735 -9.705 1.00 0.00 C ATOM 699 C PRO A 45 -2.871 -3.714 -10.266 1.00 0.00 C ATOM 700 O PRO A 45 -1.889 -4.026 -9.622 1.00 0.00 O ATOM 701 CB PRO A 45 -3.449 -1.302 -9.999 1.00 0.00 C ATOM 702 CG PRO A 45 -3.633 -0.533 -8.736 1.00 0.00 C ATOM 703 CD PRO A 45 -3.667 -1.537 -7.582 1.00 0.00 C ATOM 0 HA PRO A 45 -4.856 -2.987 -10.165 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.407 -1.282 -10.317 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.038 -0.868 -10.807 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.819 0.179 -8.600 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.558 0.043 -8.770 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.708 -1.583 -7.066 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.416 -1.263 -6.839 1.00 0.00 H new ATOM 711 N PRO A 46 -3.085 -4.184 -11.461 1.00 0.00 N ATOM 712 CA PRO A 46 -2.148 -5.131 -12.125 1.00 0.00 C ATOM 713 C PRO A 46 -0.687 -4.686 -11.981 1.00 0.00 C ATOM 714 O PRO A 46 -0.188 -3.911 -12.773 1.00 0.00 O ATOM 715 CB PRO A 46 -2.574 -5.068 -13.587 1.00 0.00 C ATOM 716 CG PRO A 46 -4.020 -4.710 -13.568 1.00 0.00 C ATOM 717 CD PRO A 46 -4.244 -3.867 -12.314 1.00 0.00 C ATOM 0 HA PRO A 46 -2.193 -6.130 -11.692 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.993 -4.324 -14.133 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.414 -6.025 -14.084 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.293 -4.152 -14.464 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.641 -5.606 -13.549 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.287 -2.804 -12.550 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.183 -4.123 -11.823 1.00 0.00 H new ATOM 725 N LYS A 47 0.002 -5.160 -10.978 1.00 0.00 N ATOM 726 CA LYS A 47 1.427 -4.751 -10.797 1.00 0.00 C ATOM 727 C LYS A 47 2.298 -5.987 -10.552 1.00 0.00 C ATOM 728 O LYS A 47 1.916 -6.896 -9.841 1.00 0.00 O ATOM 729 CB LYS A 47 1.526 -3.795 -9.604 1.00 0.00 C ATOM 730 CG LYS A 47 1.280 -4.559 -8.304 1.00 0.00 C ATOM 731 CD LYS A 47 1.140 -3.567 -7.151 1.00 0.00 C ATOM 732 CE LYS A 47 1.141 -4.324 -5.822 1.00 0.00 C ATOM 733 NZ LYS A 47 -0.168 -5.012 -5.639 1.00 0.00 N ATOM 0 H LYS A 47 -0.357 -5.810 -10.279 1.00 0.00 H new ATOM 0 HA LYS A 47 1.780 -4.248 -11.697 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.511 -3.329 -9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.796 -2.993 -9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.377 -5.163 -8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.105 -5.244 -8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.960 -2.849 -7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.216 -2.998 -7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.952 -5.053 -5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.319 -3.633 -4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.247 -5.353 -4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.941 -4.345 -5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.231 -5.818 -6.293 1.00 0.00 H new ATOM 747 N GLY A 48 3.466 -6.030 -11.139 1.00 0.00 N ATOM 748 CA GLY A 48 4.362 -7.208 -10.943 1.00 0.00 C ATOM 749 C GLY A 48 5.788 -6.729 -10.654 1.00 0.00 C ATOM 750 O GLY A 48 6.141 -5.600 -10.930 1.00 0.00 O ATOM 0 H GLY A 48 3.838 -5.300 -11.746 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.999 -7.820 -10.117 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.353 -7.837 -11.833 1.00 0.00 H new ATOM 754 N HIS A 49 6.610 -7.580 -10.099 1.00 0.00 N ATOM 755 CA HIS A 49 8.011 -7.174 -9.788 1.00 0.00 C ATOM 756 C HIS A 49 8.791 -6.961 -11.085 1.00 0.00 C ATOM 757 O HIS A 49 8.407 -7.432 -12.138 1.00 0.00 O ATOM 758 CB HIS A 49 8.688 -8.259 -8.955 1.00 0.00 C ATOM 759 CG HIS A 49 10.166 -7.977 -8.878 1.00 0.00 C ATOM 760 ND1 HIS A 49 11.117 -8.891 -9.308 1.00 0.00 N ATOM 761 CD2 HIS A 49 10.870 -6.885 -8.430 1.00 0.00 C ATOM 762 CE1 HIS A 49 12.329 -8.338 -9.112 1.00 0.00 C ATOM 763 NE2 HIS A 49 12.232 -7.119 -8.581 1.00 0.00 N ATOM 0 H HIS A 49 6.371 -8.539 -9.848 1.00 0.00 H new ATOM 0 HA HIS A 49 7.995 -6.242 -9.223 1.00 0.00 H new ATOM 0 HB2 HIS A 49 8.258 -8.286 -7.954 1.00 0.00 H new ATOM 0 HB3 HIS A 49 8.516 -9.238 -9.402 1.00 0.00 H new ATOM 0 HD2 HIS A 49 10.433 -5.985 -8.024 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.264 -8.822 -9.355 1.00 0.00 H new ATOM 0 HE2 HIS A 49 12.997 -6.490 -8.337 1.00 0.00 H new ATOM 772 N VAL A 50 9.882 -6.245 -11.020 1.00 0.00 N ATOM 773 CA VAL A 50 10.677 -5.992 -12.253 1.00 0.00 C ATOM 774 C VAL A 50 11.859 -6.963 -12.332 1.00 0.00 C ATOM 775 O VAL A 50 12.581 -7.165 -11.376 1.00 0.00 O ATOM 776 CB VAL A 50 11.189 -4.546 -12.233 1.00 0.00 C ATOM 777 CG1 VAL A 50 12.685 -4.517 -11.910 1.00 0.00 C ATOM 778 CG2 VAL A 50 10.958 -3.904 -13.600 1.00 0.00 C ATOM 0 H VAL A 50 10.255 -5.826 -10.168 1.00 0.00 H new ATOM 0 HA VAL A 50 10.044 -6.146 -13.127 1.00 0.00 H new ATOM 0 HB VAL A 50 10.647 -3.992 -11.466 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.035 -3.485 -11.899 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.855 -4.968 -10.932 1.00 0.00 H new ATOM 0 HG13 VAL A 50 13.232 -5.077 -12.668 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.322 -2.877 -13.586 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.495 -4.468 -14.362 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.892 -3.908 -13.829 1.00 0.00 H new ATOM 841 N ASP A 55 11.526 -3.659 -18.303 1.00 0.00 N ATOM 842 CA ASP A 55 11.726 -2.268 -17.809 1.00 0.00 C ATOM 843 C ASP A 55 10.704 -1.977 -16.711 1.00 0.00 C ATOM 844 O ASP A 55 9.834 -2.779 -16.433 1.00 0.00 O ATOM 845 CB ASP A 55 11.526 -1.280 -18.956 1.00 0.00 C ATOM 846 CG ASP A 55 12.324 -0.005 -18.676 1.00 0.00 C ATOM 847 OD1 ASP A 55 12.407 0.826 -19.566 1.00 0.00 O ATOM 848 OD2 ASP A 55 12.836 0.121 -17.576 1.00 0.00 O ATOM 0 HA ASP A 55 12.737 -2.164 -17.415 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.851 -1.726 -19.896 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.468 -1.043 -19.065 1.00 0.00 H new ATOM 854 N ASP A 56 10.798 -0.840 -16.081 1.00 0.00 N ATOM 855 CA ASP A 56 9.824 -0.516 -15.000 1.00 0.00 C ATOM 856 C ASP A 56 8.411 -0.448 -15.590 1.00 0.00 C ATOM 857 O ASP A 56 7.537 -1.190 -15.193 1.00 0.00 O ATOM 858 CB ASP A 56 10.186 0.829 -14.370 1.00 0.00 C ATOM 859 CG ASP A 56 11.548 0.720 -13.681 1.00 0.00 C ATOM 860 OD1 ASP A 56 12.001 -0.394 -13.480 1.00 0.00 O ATOM 861 OD2 ASP A 56 12.117 1.753 -13.369 1.00 0.00 O ATOM 0 H ASP A 56 11.502 -0.125 -16.265 1.00 0.00 H new ATOM 0 HA ASP A 56 9.859 -1.291 -14.235 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.215 1.605 -15.135 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.424 1.121 -13.648 1.00 0.00 H new ATOM 867 N LEU A 57 8.176 0.415 -16.544 1.00 0.00 N ATOM 868 CA LEU A 57 6.812 0.479 -17.143 1.00 0.00 C ATOM 869 C LEU A 57 6.562 -0.788 -17.946 1.00 0.00 C ATOM 870 O LEU A 57 5.490 -1.358 -17.905 1.00 0.00 O ATOM 871 CB LEU A 57 6.677 1.697 -18.060 1.00 0.00 C ATOM 872 CG LEU A 57 5.318 1.648 -18.777 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.191 2.016 -17.810 1.00 0.00 C ATOM 874 CD2 LEU A 57 5.322 2.635 -19.944 1.00 0.00 C ATOM 0 H LEU A 57 8.858 1.068 -16.929 1.00 0.00 H new ATOM 0 HA LEU A 57 6.080 0.568 -16.341 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.761 2.615 -17.478 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.486 1.708 -18.791 1.00 0.00 H new ATOM 0 HG LEU A 57 5.153 0.636 -19.146 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.235 1.977 -18.333 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.179 1.310 -16.979 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.354 3.024 -17.428 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.359 2.601 -20.453 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.498 3.643 -19.568 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.112 2.366 -20.645 1.00 0.00 H new ATOM 886 N GLU A 58 7.543 -1.246 -18.669 1.00 0.00 N ATOM 887 CA GLU A 58 7.341 -2.484 -19.455 1.00 0.00 C ATOM 888 C GLU A 58 6.895 -3.569 -18.481 1.00 0.00 C ATOM 889 O GLU A 58 6.078 -4.412 -18.797 1.00 0.00 O ATOM 890 CB GLU A 58 8.653 -2.883 -20.133 1.00 0.00 C ATOM 891 CG GLU A 58 9.018 -1.835 -21.189 1.00 0.00 C ATOM 892 CD GLU A 58 7.939 -1.804 -22.273 1.00 0.00 C ATOM 893 OE1 GLU A 58 7.888 -0.828 -23.002 1.00 0.00 O ATOM 894 OE2 GLU A 58 7.183 -2.758 -22.357 1.00 0.00 O ATOM 0 H GLU A 58 8.466 -0.819 -18.747 1.00 0.00 H new ATOM 0 HA GLU A 58 6.591 -2.338 -20.232 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.449 -2.962 -19.392 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.552 -3.864 -20.598 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.110 -0.853 -20.725 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.986 -2.071 -21.631 1.00 0.00 H new ATOM 902 N THR A 59 7.401 -3.521 -17.279 1.00 0.00 N ATOM 903 CA THR A 59 6.984 -4.513 -16.254 1.00 0.00 C ATOM 904 C THR A 59 5.518 -4.257 -15.918 1.00 0.00 C ATOM 905 O THR A 59 4.715 -5.166 -15.845 1.00 0.00 O ATOM 906 CB THR A 59 7.835 -4.335 -14.998 1.00 0.00 C ATOM 907 OG1 THR A 59 8.939 -5.228 -15.044 1.00 0.00 O ATOM 908 CG2 THR A 59 6.986 -4.621 -13.761 1.00 0.00 C ATOM 0 H THR A 59 8.087 -2.835 -16.964 1.00 0.00 H new ATOM 0 HA THR A 59 7.115 -5.528 -16.630 1.00 0.00 H new ATOM 0 HB THR A 59 8.204 -3.311 -14.949 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.621 -6.147 -14.926 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.594 -4.494 -12.865 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.144 -3.929 -13.730 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.613 -5.644 -13.804 1.00 0.00 H new ATOM 916 N ALA A 60 5.157 -3.012 -15.734 1.00 0.00 N ATOM 917 CA ALA A 60 3.738 -2.692 -15.429 1.00 0.00 C ATOM 918 C ALA A 60 2.896 -3.139 -16.617 1.00 0.00 C ATOM 919 O ALA A 60 1.875 -3.779 -16.468 1.00 0.00 O ATOM 920 CB ALA A 60 3.581 -1.184 -15.220 1.00 0.00 C ATOM 0 H ALA A 60 5.784 -2.209 -15.782 1.00 0.00 H new ATOM 0 HA ALA A 60 3.418 -3.202 -14.521 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.539 -0.954 -14.997 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.209 -0.865 -14.389 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.883 -0.658 -16.126 1.00 0.00 H new ATOM 926 N LEU A 61 3.345 -2.835 -17.804 1.00 0.00 N ATOM 927 CA LEU A 61 2.600 -3.274 -19.010 1.00 0.00 C ATOM 928 C LEU A 61 2.590 -4.800 -19.020 1.00 0.00 C ATOM 929 O LEU A 61 1.601 -5.428 -19.345 1.00 0.00 O ATOM 930 CB LEU A 61 3.303 -2.733 -20.259 1.00 0.00 C ATOM 931 CG LEU A 61 3.025 -1.230 -20.378 1.00 0.00 C ATOM 932 CD1 LEU A 61 4.022 -0.584 -21.340 1.00 0.00 C ATOM 933 CD2 LEU A 61 1.611 -1.013 -20.919 1.00 0.00 C ATOM 0 H LEU A 61 4.195 -2.302 -17.987 1.00 0.00 H new ATOM 0 HA LEU A 61 1.577 -2.898 -19.000 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.376 -2.913 -20.195 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.945 -3.253 -21.147 1.00 0.00 H new ATOM 0 HG LEU A 61 3.124 -0.777 -19.392 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.815 0.483 -21.416 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.035 -0.731 -20.967 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.928 -1.043 -22.324 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.414 0.056 -21.003 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.522 -1.477 -21.901 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.888 -1.463 -20.238 1.00 0.00 H new ATOM 945 N ARG A 62 3.683 -5.398 -18.629 1.00 0.00 N ATOM 946 CA ARG A 62 3.749 -6.882 -18.571 1.00 0.00 C ATOM 947 C ARG A 62 2.761 -7.371 -17.515 1.00 0.00 C ATOM 948 O ARG A 62 1.960 -8.253 -17.756 1.00 0.00 O ATOM 949 CB ARG A 62 5.167 -7.295 -18.172 1.00 0.00 C ATOM 950 CG ARG A 62 5.257 -8.816 -18.048 1.00 0.00 C ATOM 951 CD ARG A 62 6.609 -9.183 -17.436 1.00 0.00 C ATOM 952 NE ARG A 62 6.697 -10.662 -17.275 1.00 0.00 N ATOM 953 CZ ARG A 62 6.220 -11.229 -16.202 1.00 0.00 C ATOM 954 NH1 ARG A 62 5.665 -10.502 -15.271 1.00 0.00 N ATOM 955 NH2 ARG A 62 6.299 -12.524 -16.059 1.00 0.00 N ATOM 0 H ARG A 62 4.537 -4.917 -18.346 1.00 0.00 H new ATOM 0 HA ARG A 62 3.499 -7.315 -19.540 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.880 -6.940 -18.916 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.437 -6.829 -17.224 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.446 -9.192 -17.424 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.148 -9.281 -19.028 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.418 -8.827 -18.074 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.727 -8.694 -16.469 1.00 0.00 H new ATOM 0 HE ARG A 62 7.130 -11.230 -18.003 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.604 -9.490 -15.383 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.292 -10.946 -14.432 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.734 -13.092 -16.786 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.926 -12.968 -15.220 1.00 0.00 H new ATOM 969 N ALA A 63 2.799 -6.790 -16.346 1.00 0.00 N ATOM 970 CA ALA A 63 1.849 -7.208 -15.280 1.00 0.00 C ATOM 971 C ALA A 63 0.442 -6.812 -15.715 1.00 0.00 C ATOM 972 O ALA A 63 -0.503 -7.555 -15.559 1.00 0.00 O ATOM 973 CB ALA A 63 2.201 -6.502 -13.970 1.00 0.00 C ATOM 0 H ALA A 63 3.446 -6.046 -16.085 1.00 0.00 H new ATOM 0 HA ALA A 63 1.907 -8.285 -15.124 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.503 -6.810 -13.192 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.216 -6.769 -13.674 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.135 -5.423 -14.109 1.00 0.00 H new ATOM 979 N THR A 64 0.304 -5.648 -16.281 1.00 0.00 N ATOM 980 CA THR A 64 -1.033 -5.200 -16.743 1.00 0.00 C ATOM 981 C THR A 64 -1.622 -6.276 -17.647 1.00 0.00 C ATOM 982 O THR A 64 -2.762 -6.669 -17.505 1.00 0.00 O ATOM 983 CB THR A 64 -0.861 -3.893 -17.515 1.00 0.00 C ATOM 984 OG1 THR A 64 -0.237 -2.942 -16.668 1.00 0.00 O ATOM 985 CG2 THR A 64 -2.216 -3.355 -17.971 1.00 0.00 C ATOM 0 H THR A 64 1.063 -4.986 -16.443 1.00 0.00 H new ATOM 0 HA THR A 64 -1.704 -5.037 -15.900 1.00 0.00 H new ATOM 0 HB THR A 64 -0.247 -4.076 -18.397 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.598 -3.315 -16.316 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.072 -2.424 -18.519 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.699 -4.087 -18.619 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.846 -3.170 -17.101 1.00 0.00 H new ATOM 993 N GLN A 65 -0.845 -6.769 -18.562 1.00 0.00 N ATOM 994 CA GLN A 65 -1.344 -7.837 -19.463 1.00 0.00 C ATOM 995 C GLN A 65 -1.391 -9.172 -18.711 1.00 0.00 C ATOM 996 O GLN A 65 -2.293 -9.960 -18.884 1.00 0.00 O ATOM 997 CB GLN A 65 -0.407 -7.955 -20.666 1.00 0.00 C ATOM 998 CG GLN A 65 -0.908 -9.053 -21.602 1.00 0.00 C ATOM 999 CD GLN A 65 -0.016 -9.109 -22.845 1.00 0.00 C ATOM 1000 OE1 GLN A 65 0.805 -8.239 -23.057 1.00 0.00 O ATOM 1001 NE2 GLN A 65 -0.145 -10.103 -23.680 1.00 0.00 N ATOM 0 H GLN A 65 0.119 -6.478 -18.726 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.349 -7.587 -19.804 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.360 -7.004 -21.197 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.605 -8.183 -20.330 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.898 -10.015 -21.090 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.941 -8.857 -21.891 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.835 -10.833 -23.501 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.444 -10.150 -24.512 1.00 0.00 H new ATOM 1010 N GLU A 66 -0.407 -9.447 -17.898 1.00 0.00 N ATOM 1011 CA GLU A 66 -0.387 -10.747 -17.162 1.00 0.00 C ATOM 1012 C GLU A 66 -1.357 -10.736 -15.973 1.00 0.00 C ATOM 1013 O GLU A 66 -2.018 -11.717 -15.700 1.00 0.00 O ATOM 1014 CB GLU A 66 1.029 -11.014 -16.651 1.00 0.00 C ATOM 1015 CG GLU A 66 1.091 -12.405 -16.018 1.00 0.00 C ATOM 1016 CD GLU A 66 2.478 -12.631 -15.413 1.00 0.00 C ATOM 1017 OE1 GLU A 66 3.288 -11.720 -15.481 1.00 0.00 O ATOM 1018 OE2 GLU A 66 2.710 -13.710 -14.895 1.00 0.00 O ATOM 0 H GLU A 66 0.383 -8.830 -17.711 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.700 -11.532 -17.850 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.742 -10.945 -17.472 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.311 -10.257 -15.919 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.327 -12.499 -15.247 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.882 -13.167 -16.769 1.00 0.00 H new ATOM 1026 N GLU A 67 -1.426 -9.659 -15.237 1.00 0.00 N ATOM 1027 CA GLU A 67 -2.330 -9.634 -14.047 1.00 0.00 C ATOM 1028 C GLU A 67 -3.802 -9.515 -14.464 1.00 0.00 C ATOM 1029 O GLU A 67 -4.617 -10.343 -14.112 1.00 0.00 O ATOM 1030 CB GLU A 67 -1.969 -8.447 -13.148 1.00 0.00 C ATOM 1031 CG GLU A 67 -1.370 -8.946 -11.829 1.00 0.00 C ATOM 1032 CD GLU A 67 0.081 -9.371 -12.056 1.00 0.00 C ATOM 1033 OE1 GLU A 67 0.623 -9.030 -13.095 1.00 0.00 O ATOM 1034 OE2 GLU A 67 0.632 -10.020 -11.183 1.00 0.00 O ATOM 0 H GLU A 67 -0.901 -8.801 -15.405 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.197 -10.571 -13.507 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.256 -7.799 -13.658 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.858 -7.848 -12.949 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.416 -8.159 -11.076 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.951 -9.786 -11.448 1.00 0.00 H new ATOM 1042 N ALA A 68 -4.164 -8.484 -15.185 1.00 0.00 N ATOM 1043 CA ALA A 68 -5.597 -8.326 -15.578 1.00 0.00 C ATOM 1044 C ALA A 68 -5.833 -8.848 -16.994 1.00 0.00 C ATOM 1045 O ALA A 68 -6.959 -8.977 -17.430 1.00 0.00 O ATOM 1046 CB ALA A 68 -5.985 -6.851 -15.526 1.00 0.00 C ATOM 0 H ALA A 68 -3.536 -7.751 -15.516 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.206 -8.901 -14.880 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.031 -6.739 -15.813 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.845 -6.473 -14.513 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.357 -6.285 -16.214 1.00 0.00 H new ATOM 1052 N GLY A 69 -4.798 -9.156 -17.717 1.00 0.00 N ATOM 1053 CA GLY A 69 -5.004 -9.672 -19.097 1.00 0.00 C ATOM 1054 C GLY A 69 -5.208 -8.510 -20.070 1.00 0.00 C ATOM 1055 O GLY A 69 -5.718 -8.696 -21.158 1.00 0.00 O ATOM 0 H GLY A 69 -3.826 -9.075 -17.418 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.143 -10.266 -19.403 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.871 -10.332 -19.121 1.00 0.00 H new ATOM 1059 N ILE A 70 -4.827 -7.313 -19.705 1.00 0.00 N ATOM 1060 CA ILE A 70 -5.025 -6.174 -20.643 1.00 0.00 C ATOM 1061 C ILE A 70 -3.688 -5.800 -21.279 1.00 0.00 C ATOM 1062 O ILE A 70 -2.712 -5.562 -20.599 1.00 0.00 O ATOM 1063 CB ILE A 70 -5.572 -4.969 -19.886 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -6.726 -5.404 -18.990 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -6.098 -3.947 -20.892 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -7.062 -4.267 -18.028 1.00 0.00 C ATOM 0 H ILE A 70 -4.394 -7.079 -18.812 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.733 -6.469 -21.417 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.778 -4.534 -19.279 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.598 -5.656 -19.594 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.453 -6.301 -18.433 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.491 -3.081 -20.359 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.287 -3.631 -21.548 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.892 -4.398 -21.488 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.887 -4.568 -17.382 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.189 -4.037 -17.418 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.351 -3.383 -18.596 1.00 0.00 H new ATOM 1078 N GLU A 71 -3.636 -5.739 -22.580 1.00 0.00 N ATOM 1079 CA GLU A 71 -2.358 -5.379 -23.253 1.00 0.00 C ATOM 1080 C GLU A 71 -2.311 -3.872 -23.486 1.00 0.00 C ATOM 1081 O GLU A 71 -3.317 -3.192 -23.447 1.00 0.00 O ATOM 1082 CB GLU A 71 -2.264 -6.102 -24.596 1.00 0.00 C ATOM 1083 CG GLU A 71 -3.372 -5.602 -25.524 1.00 0.00 C ATOM 1084 CD GLU A 71 -3.361 -6.419 -26.817 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -4.258 -6.230 -27.621 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -2.455 -7.219 -26.981 1.00 0.00 O ATOM 0 H GLU A 71 -4.421 -5.922 -23.205 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.522 -5.677 -22.621 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.288 -5.925 -25.049 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.356 -7.178 -24.449 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.341 -5.692 -25.033 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.225 -4.545 -25.748 1.00 0.00 H new ATOM 1094 N ALA A 72 -1.146 -3.345 -23.727 1.00 0.00 N ATOM 1095 CA ALA A 72 -1.034 -1.883 -23.962 1.00 0.00 C ATOM 1096 C ALA A 72 -1.775 -1.517 -25.247 1.00 0.00 C ATOM 1097 O ALA A 72 -2.214 -0.397 -25.425 1.00 0.00 O ATOM 1098 CB ALA A 72 0.437 -1.497 -24.092 1.00 0.00 C ATOM 0 H ALA A 72 -0.268 -3.863 -23.771 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.475 -1.345 -23.123 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.518 -0.424 -24.264 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.964 -1.758 -23.174 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.881 -2.034 -24.930 1.00 0.00 H new ATOM 1104 N GLY A 73 -1.917 -2.453 -26.144 1.00 0.00 N ATOM 1105 CA GLY A 73 -2.627 -2.162 -27.421 1.00 0.00 C ATOM 1106 C GLY A 73 -4.004 -1.564 -27.124 1.00 0.00 C ATOM 1107 O GLY A 73 -4.486 -0.715 -27.847 1.00 0.00 O ATOM 0 H GLY A 73 -1.572 -3.408 -26.048 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.041 -1.468 -28.023 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.736 -3.077 -28.004 1.00 0.00 H new ATOM 1111 N GLN A 74 -4.642 -1.992 -26.066 1.00 0.00 N ATOM 1112 CA GLN A 74 -5.985 -1.435 -25.741 1.00 0.00 C ATOM 1113 C GLN A 74 -5.860 -0.384 -24.636 1.00 0.00 C ATOM 1114 O GLN A 74 -6.835 0.215 -24.227 1.00 0.00 O ATOM 1115 CB GLN A 74 -6.931 -2.560 -25.306 1.00 0.00 C ATOM 1116 CG GLN A 74 -6.307 -3.380 -24.178 1.00 0.00 C ATOM 1117 CD GLN A 74 -7.133 -4.652 -23.970 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -8.295 -4.698 -24.317 1.00 0.00 O ATOM 1119 NE2 GLN A 74 -6.573 -5.696 -23.423 1.00 0.00 N ATOM 0 H GLN A 74 -4.293 -2.698 -25.418 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.398 -0.960 -26.631 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -7.879 -2.137 -24.974 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.150 -3.207 -26.155 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.277 -3.636 -24.425 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.279 -2.795 -23.259 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.596 -5.657 -23.132 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.112 -6.551 -23.287 1.00 0.00 H new ATOM 1128 N LEU A 75 -4.667 -0.141 -24.157 1.00 0.00 N ATOM 1129 CA LEU A 75 -4.489 0.889 -23.092 1.00 0.00 C ATOM 1130 C LEU A 75 -3.654 2.050 -23.616 1.00 0.00 C ATOM 1131 O LEU A 75 -2.705 1.868 -24.351 1.00 0.00 O ATOM 1132 CB LEU A 75 -3.736 0.310 -21.896 1.00 0.00 C ATOM 1133 CG LEU A 75 -4.500 -0.860 -21.295 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -3.540 -1.683 -20.439 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -5.632 -0.318 -20.419 1.00 0.00 C ATOM 0 H LEU A 75 -3.812 -0.610 -24.456 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.484 1.220 -22.796 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.745 -0.018 -22.208 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.592 1.083 -21.141 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.918 -1.485 -22.084 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.074 -2.526 -20.001 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.725 -2.053 -21.060 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.135 -1.058 -19.643 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.185 -1.150 -19.984 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.213 0.296 -19.622 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.305 0.287 -21.027 1.00 0.00 H new ATOM 1147 N THR A 76 -3.968 3.233 -23.188 1.00 0.00 N ATOM 1148 CA THR A 76 -3.167 4.411 -23.588 1.00 0.00 C ATOM 1149 C THR A 76 -2.593 4.989 -22.297 1.00 0.00 C ATOM 1150 O THR A 76 -3.321 5.314 -21.381 1.00 0.00 O ATOM 1151 CB THR A 76 -4.056 5.435 -24.307 1.00 0.00 C ATOM 1152 OG1 THR A 76 -3.353 5.968 -25.419 1.00 0.00 O ATOM 1153 CG2 THR A 76 -4.436 6.568 -23.355 1.00 0.00 C ATOM 0 H THR A 76 -4.755 3.436 -22.571 1.00 0.00 H new ATOM 0 HA THR A 76 -2.370 4.144 -24.282 1.00 0.00 H new ATOM 0 HB THR A 76 -4.966 4.939 -24.646 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.919 6.621 -25.881 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.066 7.287 -23.878 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.980 6.160 -22.503 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.533 7.066 -23.003 1.00 0.00 H new ATOM 1161 N ILE A 77 -1.301 5.080 -22.180 1.00 0.00 N ATOM 1162 CA ILE A 77 -0.734 5.594 -20.905 1.00 0.00 C ATOM 1163 C ILE A 77 -0.851 7.107 -20.844 1.00 0.00 C ATOM 1164 O ILE A 77 -0.154 7.827 -21.532 1.00 0.00 O ATOM 1165 CB ILE A 77 0.732 5.204 -20.770 1.00 0.00 C ATOM 1166 CG1 ILE A 77 0.881 3.696 -20.996 1.00 0.00 C ATOM 1167 CG2 ILE A 77 1.208 5.572 -19.357 1.00 0.00 C ATOM 1168 CD1 ILE A 77 1.349 3.023 -19.706 1.00 0.00 C ATOM 0 H ILE A 77 -0.622 4.826 -22.898 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.301 5.151 -20.086 1.00 0.00 H new ATOM 0 HB ILE A 77 1.333 5.733 -21.510 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.071 3.271 -21.314 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.597 3.508 -21.796 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.257 5.299 -19.244 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.094 6.645 -19.202 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.611 5.034 -18.620 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.453 1.951 -19.872 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.311 3.439 -19.407 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.617 3.198 -18.918 1.00 0.00 H new ATOM 1180 N ILE A 78 -1.702 7.592 -19.995 1.00 0.00 N ATOM 1181 CA ILE A 78 -1.840 9.059 -19.848 1.00 0.00 C ATOM 1182 C ILE A 78 -0.526 9.594 -19.317 1.00 0.00 C ATOM 1183 O ILE A 78 -0.175 10.742 -19.504 1.00 0.00 O ATOM 1184 CB ILE A 78 -2.935 9.373 -18.837 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -4.303 9.162 -19.482 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -2.783 10.818 -18.373 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -4.445 7.693 -19.872 1.00 0.00 C ATOM 0 H ILE A 78 -2.310 7.035 -19.395 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.093 9.511 -20.807 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.850 8.709 -17.976 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.094 9.446 -18.788 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.407 9.797 -20.362 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.563 11.052 -17.649 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.806 10.950 -17.909 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.871 11.486 -19.229 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.419 7.532 -20.334 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.660 7.427 -20.579 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.358 7.070 -18.982 1.00 0.00 H new ATOM 1199 N GLU A 79 0.186 8.760 -18.622 1.00 0.00 N ATOM 1200 CA GLU A 79 1.474 9.194 -18.031 1.00 0.00 C ATOM 1201 C GLU A 79 1.210 10.409 -17.160 1.00 0.00 C ATOM 1202 O GLU A 79 0.422 10.364 -16.237 1.00 0.00 O ATOM 1203 CB GLU A 79 2.462 9.566 -19.140 1.00 0.00 C ATOM 1204 CG GLU A 79 2.777 8.327 -19.973 1.00 0.00 C ATOM 1205 CD GLU A 79 3.874 8.659 -20.988 1.00 0.00 C ATOM 1206 OE1 GLU A 79 4.208 9.826 -21.108 1.00 0.00 O ATOM 1207 OE2 GLU A 79 4.360 7.740 -21.626 1.00 0.00 O ATOM 0 H GLU A 79 -0.071 7.790 -18.437 1.00 0.00 H new ATOM 0 HA GLU A 79 1.903 8.385 -17.439 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.039 10.346 -19.773 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.377 9.969 -18.707 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.101 7.513 -19.325 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.880 7.986 -20.490 1.00 0.00 H new ATOM 1215 N GLY A 80 1.848 11.499 -17.454 1.00 0.00 N ATOM 1216 CA GLY A 80 1.621 12.724 -16.644 1.00 0.00 C ATOM 1217 C GLY A 80 1.992 12.449 -15.189 1.00 0.00 C ATOM 1218 O GLY A 80 2.858 13.094 -14.633 1.00 0.00 O ATOM 0 H GLY A 80 2.516 11.598 -18.218 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.220 13.547 -17.034 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.577 13.030 -16.713 1.00 0.00 H new ATOM 1222 N PHE A 81 1.345 11.500 -14.557 1.00 0.00 N ATOM 1223 CA PHE A 81 1.686 11.214 -13.137 1.00 0.00 C ATOM 1224 C PHE A 81 2.476 9.904 -13.047 1.00 0.00 C ATOM 1225 O PHE A 81 1.961 8.836 -13.314 1.00 0.00 O ATOM 1226 CB PHE A 81 0.395 11.082 -12.325 1.00 0.00 C ATOM 1227 CG PHE A 81 0.695 11.288 -10.861 1.00 0.00 C ATOM 1228 CD1 PHE A 81 1.258 10.255 -10.103 1.00 0.00 C ATOM 1229 CD2 PHE A 81 0.414 12.521 -10.260 1.00 0.00 C ATOM 1230 CE1 PHE A 81 1.538 10.455 -8.746 1.00 0.00 C ATOM 1231 CE2 PHE A 81 0.694 12.723 -8.906 1.00 0.00 C ATOM 1232 CZ PHE A 81 1.256 11.689 -8.147 1.00 0.00 C ATOM 0 H PHE A 81 0.607 10.921 -14.959 1.00 0.00 H new ATOM 0 HA PHE A 81 2.292 12.029 -12.740 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.336 11.816 -12.664 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.046 10.097 -12.481 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.476 9.304 -10.565 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.020 13.318 -10.845 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.972 9.657 -8.161 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.477 13.675 -8.445 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.472 11.843 -7.100 1.00 0.00 H new ATOM 1242 N LYS A 82 3.718 9.980 -12.651 1.00 0.00 N ATOM 1243 CA LYS A 82 4.538 8.741 -12.517 1.00 0.00 C ATOM 1244 C LYS A 82 5.432 8.881 -11.290 1.00 0.00 C ATOM 1245 O LYS A 82 6.138 9.855 -11.126 1.00 0.00 O ATOM 1246 CB LYS A 82 5.411 8.529 -13.759 1.00 0.00 C ATOM 1247 CG LYS A 82 6.096 7.157 -13.697 1.00 0.00 C ATOM 1248 CD LYS A 82 7.075 7.106 -12.522 1.00 0.00 C ATOM 1249 CE LYS A 82 8.283 6.244 -12.893 1.00 0.00 C ATOM 1250 NZ LYS A 82 9.209 6.164 -11.731 1.00 0.00 N ATOM 0 H LYS A 82 4.201 10.847 -12.414 1.00 0.00 H new ATOM 0 HA LYS A 82 3.874 7.883 -12.413 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.799 8.598 -14.659 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.162 9.316 -13.823 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.346 6.373 -13.589 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.626 6.965 -14.630 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.401 8.114 -12.264 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.580 6.696 -11.642 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.956 5.245 -13.181 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.798 6.671 -13.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.978 5.498 -11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.609 7.105 -11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.688 5.833 -10.894 1.00 0.00 H new ATOM 1264 N ARG A 83 5.410 7.909 -10.437 1.00 0.00 N ATOM 1265 CA ARG A 83 6.253 7.954 -9.218 1.00 0.00 C ATOM 1266 C ARG A 83 6.436 6.527 -8.723 1.00 0.00 C ATOM 1267 O ARG A 83 5.856 5.598 -9.251 1.00 0.00 O ATOM 1268 CB ARG A 83 5.572 8.790 -8.135 1.00 0.00 C ATOM 1269 CG ARG A 83 4.392 8.004 -7.578 1.00 0.00 C ATOM 1270 CD ARG A 83 3.525 7.538 -8.744 1.00 0.00 C ATOM 1271 NE ARG A 83 2.111 7.392 -8.294 1.00 0.00 N ATOM 1272 CZ ARG A 83 1.831 6.774 -7.179 1.00 0.00 C ATOM 1273 NH1 ARG A 83 2.774 6.181 -6.501 1.00 0.00 N ATOM 1274 NH2 ARG A 83 0.599 6.730 -6.754 1.00 0.00 N ATOM 0 H ARG A 83 4.836 7.071 -10.531 1.00 0.00 H new ATOM 0 HA ARG A 83 7.217 8.408 -9.447 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.279 9.025 -7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.232 9.739 -8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.745 7.148 -7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.810 8.626 -6.898 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.584 8.255 -9.562 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.895 6.587 -9.127 1.00 0.00 H new ATOM 0 HE ARG A 83 1.357 7.778 -8.862 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.735 6.199 -6.842 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.550 5.699 -5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.143 7.178 -7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.377 6.248 -5.883 1.00 0.00 H new ATOM 1288 N GLU A 84 7.227 6.336 -7.720 1.00 0.00 N ATOM 1289 CA GLU A 84 7.429 4.956 -7.205 1.00 0.00 C ATOM 1290 C GLU A 84 6.445 4.676 -6.067 1.00 0.00 C ATOM 1291 O GLU A 84 6.692 5.010 -4.925 1.00 0.00 O ATOM 1292 CB GLU A 84 8.863 4.796 -6.688 1.00 0.00 C ATOM 1293 CG GLU A 84 9.836 4.689 -7.863 1.00 0.00 C ATOM 1294 CD GLU A 84 11.267 4.566 -7.337 1.00 0.00 C ATOM 1295 OE1 GLU A 84 12.148 4.284 -8.134 1.00 0.00 O ATOM 1296 OE2 GLU A 84 11.458 4.755 -6.148 1.00 0.00 O ATOM 0 H GLU A 84 7.743 7.068 -7.232 1.00 0.00 H new ATOM 0 HA GLU A 84 7.256 4.249 -8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.129 5.647 -6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.936 3.906 -6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.588 3.822 -8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.747 5.567 -8.502 1.00 0.00 H new ATOM 1304 N LEU A 85 5.344 4.032 -6.364 1.00 0.00 N ATOM 1305 CA LEU A 85 4.372 3.695 -5.289 1.00 0.00 C ATOM 1306 C LEU A 85 5.103 2.763 -4.327 1.00 0.00 C ATOM 1307 O LEU A 85 5.707 1.797 -4.744 1.00 0.00 O ATOM 1308 CB LEU A 85 3.169 2.956 -5.895 1.00 0.00 C ATOM 1309 CG LEU A 85 1.942 3.102 -4.977 1.00 0.00 C ATOM 1310 CD1 LEU A 85 0.929 4.084 -5.570 1.00 0.00 C ATOM 1311 CD2 LEU A 85 1.248 1.752 -4.808 1.00 0.00 C ATOM 0 H LEU A 85 5.080 3.728 -7.301 1.00 0.00 H new ATOM 0 HA LEU A 85 4.010 4.591 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.944 3.359 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.410 1.901 -6.029 1.00 0.00 H new ATOM 0 HG LEU A 85 2.294 3.474 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.071 4.169 -4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.396 5.062 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.597 3.721 -6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.382 1.867 -4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.924 1.385 -5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.943 1.039 -4.365 1.00 0.00 H new ATOM 1323 N ASN A 86 5.101 3.048 -3.057 1.00 0.00 N ATOM 1324 CA ASN A 86 5.851 2.163 -2.120 1.00 0.00 C ATOM 1325 C ASN A 86 4.979 1.748 -0.942 1.00 0.00 C ATOM 1326 O ASN A 86 4.283 2.546 -0.347 1.00 0.00 O ATOM 1327 CB ASN A 86 7.088 2.908 -1.619 1.00 0.00 C ATOM 1328 CG ASN A 86 7.996 3.201 -2.813 1.00 0.00 C ATOM 1329 OD1 ASN A 86 9.008 3.859 -2.681 1.00 0.00 O ATOM 1330 ND2 ASN A 86 7.671 2.722 -3.985 1.00 0.00 N ATOM 0 H ASN A 86 4.622 3.841 -2.630 1.00 0.00 H new ATOM 0 HA ASN A 86 6.149 1.258 -2.649 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.797 3.837 -1.128 1.00 0.00 H new ATOM 0 HB3 ASN A 86 7.618 2.308 -0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.268 2.901 -4.792 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.820 2.170 -4.092 1.00 0.00 H new ATOM 1480 N THR A 95 9.570 -1.065 -3.561 1.00 0.00 N ATOM 1481 CA THR A 95 9.155 0.026 -4.484 1.00 0.00 C ATOM 1482 C THR A 95 8.193 -0.513 -5.536 1.00 0.00 C ATOM 1483 O THR A 95 8.324 -1.613 -6.030 1.00 0.00 O ATOM 1484 CB THR A 95 10.375 0.650 -5.175 1.00 0.00 C ATOM 1485 OG1 THR A 95 11.044 1.510 -4.264 1.00 0.00 O ATOM 1486 CG2 THR A 95 9.921 1.452 -6.409 1.00 0.00 C ATOM 0 HA THR A 95 8.655 0.795 -3.896 1.00 0.00 H new ATOM 0 HB THR A 95 11.054 -0.140 -5.494 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.824 1.908 -4.703 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.790 1.893 -6.896 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.412 0.788 -7.107 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.239 2.243 -6.098 1.00 0.00 H new ATOM 1494 N VAL A 96 7.228 0.281 -5.869 1.00 0.00 N ATOM 1495 CA VAL A 96 6.223 -0.110 -6.887 1.00 0.00 C ATOM 1496 C VAL A 96 5.879 1.134 -7.697 1.00 0.00 C ATOM 1497 O VAL A 96 5.691 2.193 -7.143 1.00 0.00 O ATOM 1498 CB VAL A 96 4.977 -0.641 -6.178 1.00 0.00 C ATOM 1499 CG1 VAL A 96 3.798 -0.702 -7.154 1.00 0.00 C ATOM 1500 CG2 VAL A 96 5.261 -2.048 -5.649 1.00 0.00 C ATOM 0 H VAL A 96 7.088 1.209 -5.470 1.00 0.00 H new ATOM 0 HA VAL A 96 6.609 -0.889 -7.545 1.00 0.00 H new ATOM 0 HB VAL A 96 4.725 0.027 -5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.917 -1.082 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.591 0.297 -7.538 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.046 -1.365 -7.983 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.376 -2.432 -5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.516 -2.705 -6.481 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.094 -2.011 -4.947 1.00 0.00 H new ATOM 1510 N ILE A 97 5.801 1.039 -8.992 1.00 0.00 N ATOM 1511 CA ILE A 97 5.478 2.256 -9.784 1.00 0.00 C ATOM 1512 C ILE A 97 4.085 2.126 -10.385 1.00 0.00 C ATOM 1513 O ILE A 97 3.729 1.112 -10.954 1.00 0.00 O ATOM 1514 CB ILE A 97 6.509 2.438 -10.888 1.00 0.00 C ATOM 1515 CG1 ILE A 97 7.896 2.165 -10.307 1.00 0.00 C ATOM 1516 CG2 ILE A 97 6.438 3.878 -11.411 1.00 0.00 C ATOM 1517 CD1 ILE A 97 8.962 2.695 -11.257 1.00 0.00 C ATOM 0 H ILE A 97 5.944 0.185 -9.531 1.00 0.00 H new ATOM 0 HA ILE A 97 5.500 3.128 -9.130 1.00 0.00 H new ATOM 0 HB ILE A 97 6.312 1.750 -11.710 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.993 2.643 -9.332 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.032 1.095 -10.152 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.175 4.014 -12.203 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.441 4.073 -11.806 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.648 4.572 -10.597 1.00 0.00 H new ATOM 0 HD11 ILE A 97 9.950 2.499 -10.841 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.870 2.197 -12.222 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.830 3.769 -11.389 1.00 0.00 H new ATOM 1529 N TYR A 98 3.295 3.150 -10.248 1.00 0.00 N ATOM 1530 CA TYR A 98 1.906 3.119 -10.782 1.00 0.00 C ATOM 1531 C TYR A 98 1.760 4.169 -11.892 1.00 0.00 C ATOM 1532 O TYR A 98 2.037 5.336 -11.698 1.00 0.00 O ATOM 1533 CB TYR A 98 0.945 3.457 -9.629 1.00 0.00 C ATOM 1534 CG TYR A 98 0.564 2.226 -8.822 1.00 0.00 C ATOM 1535 CD1 TYR A 98 1.246 1.005 -8.967 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.494 2.321 -7.908 1.00 0.00 C ATOM 1537 CE1 TYR A 98 0.867 -0.106 -8.198 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.869 1.213 -7.144 1.00 0.00 C ATOM 1539 CZ TYR A 98 -0.189 0.001 -7.287 1.00 0.00 C ATOM 1540 OH TYR A 98 -0.562 -1.091 -6.530 1.00 0.00 O ATOM 0 H TYR A 98 3.555 4.020 -9.783 1.00 0.00 H new ATOM 0 HA TYR A 98 1.679 2.135 -11.192 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.412 4.190 -8.972 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.044 3.919 -10.032 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.062 0.922 -9.670 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.022 3.256 -7.794 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.391 -1.044 -8.310 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.686 1.294 -6.442 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.211 -0.812 -5.851 1.00 0.00 H new ATOM 1550 N TRP A 99 1.322 3.755 -13.053 1.00 0.00 N ATOM 1551 CA TRP A 99 1.148 4.712 -14.187 1.00 0.00 C ATOM 1552 C TRP A 99 -0.341 4.879 -14.491 1.00 0.00 C ATOM 1553 O TRP A 99 -1.145 4.025 -14.185 1.00 0.00 O ATOM 1554 CB TRP A 99 1.831 4.159 -15.437 1.00 0.00 C ATOM 1555 CG TRP A 99 3.246 4.617 -15.498 1.00 0.00 C ATOM 1556 CD1 TRP A 99 3.649 5.845 -15.889 1.00 0.00 C ATOM 1557 CD2 TRP A 99 4.455 3.869 -15.186 1.00 0.00 C ATOM 1558 NE1 TRP A 99 5.028 5.904 -15.824 1.00 0.00 N ATOM 1559 CE2 TRP A 99 5.571 4.709 -15.400 1.00 0.00 C ATOM 1560 CE3 TRP A 99 4.686 2.557 -14.738 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 6.872 4.263 -15.180 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 5.995 2.104 -14.517 1.00 0.00 C ATOM 1563 CH2 TRP A 99 7.087 2.955 -14.738 1.00 0.00 C ATOM 0 H TRP A 99 1.076 2.788 -13.266 1.00 0.00 H new ATOM 0 HA TRP A 99 1.588 5.670 -13.910 1.00 0.00 H new ATOM 0 HB2 TRP A 99 1.794 3.070 -15.428 1.00 0.00 H new ATOM 0 HB3 TRP A 99 1.296 4.489 -16.328 1.00 0.00 H new ATOM 0 HD1 TRP A 99 3.000 6.649 -16.201 1.00 0.00 H new ATOM 0 HE1 TRP A 99 5.577 6.730 -16.061 1.00 0.00 H new ATOM 0 HE3 TRP A 99 3.851 1.894 -14.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.709 4.924 -15.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.163 1.094 -14.175 1.00 0.00 H new ATOM 0 HH2 TRP A 99 8.093 2.600 -14.567 1.00 0.00 H new ATOM 1574 N LEU A 100 -0.712 5.961 -15.116 1.00 0.00 N ATOM 1575 CA LEU A 100 -2.145 6.153 -15.461 1.00 0.00 C ATOM 1576 C LEU A 100 -2.424 5.477 -16.806 1.00 0.00 C ATOM 1577 O LEU A 100 -1.708 5.666 -17.769 1.00 0.00 O ATOM 1578 CB LEU A 100 -2.458 7.651 -15.544 1.00 0.00 C ATOM 1579 CG LEU A 100 -2.515 8.246 -14.136 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -2.692 9.762 -14.229 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -3.711 7.649 -13.389 1.00 0.00 C ATOM 0 H LEU A 100 -0.088 6.716 -15.401 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.778 5.707 -14.693 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.695 8.159 -16.133 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.409 7.806 -16.053 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.591 8.017 -13.605 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.733 10.186 -13.226 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.851 10.194 -14.772 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.619 9.988 -14.756 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.758 8.068 -12.384 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.630 7.886 -13.925 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.597 6.567 -13.326 1.00 0.00 H new ATOM 1593 N ALA A 101 -3.456 4.677 -16.874 1.00 0.00 N ATOM 1594 CA ALA A 101 -3.779 3.973 -18.147 1.00 0.00 C ATOM 1595 C ALA A 101 -5.294 3.961 -18.353 1.00 0.00 C ATOM 1596 O ALA A 101 -6.057 3.880 -17.411 1.00 0.00 O ATOM 1597 CB ALA A 101 -3.266 2.527 -18.072 1.00 0.00 C ATOM 0 H ALA A 101 -4.090 4.481 -16.099 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.302 4.490 -18.980 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.501 2.009 -19.002 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.186 2.531 -17.922 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.746 2.013 -17.239 1.00 0.00 H new ATOM 1603 N GLU A 102 -5.732 4.041 -19.579 1.00 0.00 N ATOM 1604 CA GLU A 102 -7.197 4.033 -19.853 1.00 0.00 C ATOM 1605 C GLU A 102 -7.527 2.929 -20.856 1.00 0.00 C ATOM 1606 O GLU A 102 -6.833 2.745 -21.834 1.00 0.00 O ATOM 1607 CB GLU A 102 -7.608 5.380 -20.448 1.00 0.00 C ATOM 1608 CG GLU A 102 -9.119 5.397 -20.683 1.00 0.00 C ATOM 1609 CD GLU A 102 -9.509 6.683 -21.409 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -8.640 7.516 -21.610 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -10.670 6.811 -21.760 1.00 0.00 O ATOM 0 H GLU A 102 -5.137 4.112 -20.405 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.735 3.856 -18.922 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.326 6.188 -19.774 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.082 5.550 -21.387 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.415 4.530 -21.273 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.646 5.330 -19.731 1.00 0.00 H new ATOM 1619 N VAL A 103 -8.591 2.206 -20.639 1.00 0.00 N ATOM 1620 CA VAL A 103 -8.958 1.137 -21.606 1.00 0.00 C ATOM 1621 C VAL A 103 -9.929 1.717 -22.627 1.00 0.00 C ATOM 1622 O VAL A 103 -11.034 2.100 -22.301 1.00 0.00 O ATOM 1623 CB VAL A 103 -9.633 -0.032 -20.880 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -8.621 -0.762 -20.003 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -10.756 0.491 -19.993 1.00 0.00 C ATOM 0 H VAL A 103 -9.217 2.309 -19.840 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.057 0.772 -22.098 1.00 0.00 H new ATOM 0 HB VAL A 103 -10.034 -0.717 -21.627 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.112 -1.590 -19.493 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.812 -1.147 -20.624 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.214 -0.071 -19.265 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.233 -0.344 -19.479 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.346 1.183 -19.258 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -11.494 1.008 -20.607 1.00 0.00 H new ATOM 1635 N LYS A 104 -9.531 1.776 -23.864 1.00 0.00 N ATOM 1636 CA LYS A 104 -10.439 2.324 -24.902 1.00 0.00 C ATOM 1637 C LYS A 104 -11.595 1.347 -25.095 1.00 0.00 C ATOM 1638 O LYS A 104 -12.554 1.622 -25.787 1.00 0.00 O ATOM 1639 CB LYS A 104 -9.666 2.508 -26.208 1.00 0.00 C ATOM 1640 CG LYS A 104 -9.046 1.177 -26.633 1.00 0.00 C ATOM 1641 CD LYS A 104 -8.103 1.412 -27.817 1.00 0.00 C ATOM 1642 CE LYS A 104 -6.842 2.137 -27.337 1.00 0.00 C ATOM 1643 NZ LYS A 104 -5.722 1.864 -28.283 1.00 0.00 N ATOM 0 H LYS A 104 -8.618 1.469 -24.200 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.831 3.294 -24.595 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.333 2.875 -26.988 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.886 3.258 -26.077 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.499 0.735 -25.800 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.828 0.471 -26.911 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.835 0.460 -28.275 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.605 2.004 -28.582 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -7.027 3.209 -27.275 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.576 1.801 -26.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.988 2.592 -28.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.316 0.928 -28.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.080 1.881 -29.259 1.00 0.00 H new ATOM 1657 N ASP A 105 -11.510 0.208 -24.463 1.00 0.00 N ATOM 1658 CA ASP A 105 -12.600 -0.796 -24.573 1.00 0.00 C ATOM 1659 C ASP A 105 -13.363 -0.848 -23.251 1.00 0.00 C ATOM 1660 O ASP A 105 -12.920 -1.442 -22.289 1.00 0.00 O ATOM 1661 CB ASP A 105 -11.998 -2.172 -24.867 1.00 0.00 C ATOM 1662 CG ASP A 105 -11.627 -2.266 -26.347 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -10.957 -3.219 -26.711 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -12.020 -1.384 -27.094 1.00 0.00 O ATOM 0 H ASP A 105 -10.726 -0.069 -23.872 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.277 -0.518 -25.380 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.114 -2.332 -24.250 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.712 -2.955 -24.611 1.00 0.00 H new ATOM 1670 N TYR A 106 -14.509 -0.232 -23.200 1.00 0.00 N ATOM 1671 CA TYR A 106 -15.308 -0.246 -21.945 1.00 0.00 C ATOM 1672 C TYR A 106 -15.554 -1.695 -21.533 1.00 0.00 C ATOM 1673 O TYR A 106 -15.640 -2.018 -20.365 1.00 0.00 O ATOM 1674 CB TYR A 106 -16.649 0.449 -22.198 1.00 0.00 C ATOM 1675 CG TYR A 106 -17.413 0.581 -20.902 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -18.199 -0.482 -20.440 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -17.339 1.768 -20.164 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -18.911 -0.355 -19.240 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -18.050 1.894 -18.966 1.00 0.00 C ATOM 1680 CZ TYR A 106 -18.836 0.833 -18.504 1.00 0.00 C ATOM 1681 OH TYR A 106 -19.535 0.958 -17.321 1.00 0.00 O ATOM 0 H TYR A 106 -14.928 0.282 -23.975 1.00 0.00 H new ATOM 0 HA TYR A 106 -14.772 0.276 -21.152 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -16.481 1.434 -22.633 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -17.234 -0.122 -22.919 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -18.256 -1.399 -21.008 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.732 2.588 -20.520 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.518 -1.174 -18.883 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -17.992 2.811 -18.398 1.00 0.00 H new ATOM 0 HH TYR A 106 -19.372 1.845 -16.937 1.00 0.00 H new ATOM 1691 N ASP A 107 -15.680 -2.568 -22.492 1.00 0.00 N ATOM 1692 CA ASP A 107 -15.933 -4.001 -22.181 1.00 0.00 C ATOM 1693 C ASP A 107 -14.633 -4.799 -22.297 1.00 0.00 C ATOM 1694 O ASP A 107 -14.652 -5.999 -22.489 1.00 0.00 O ATOM 1695 CB ASP A 107 -16.961 -4.560 -23.165 1.00 0.00 C ATOM 1696 CG ASP A 107 -16.385 -4.524 -24.583 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -17.149 -4.714 -25.516 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -15.192 -4.303 -24.712 1.00 0.00 O ATOM 0 H ASP A 107 -15.618 -2.348 -23.486 1.00 0.00 H new ATOM 0 HA ASP A 107 -16.314 -4.084 -21.163 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -17.221 -5.583 -22.893 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -17.879 -3.975 -23.119 1.00 0.00 H new ATOM 1704 N VAL A 108 -13.502 -4.153 -22.195 1.00 0.00 N ATOM 1705 CA VAL A 108 -12.218 -4.899 -22.315 1.00 0.00 C ATOM 1706 C VAL A 108 -12.328 -6.218 -21.560 1.00 0.00 C ATOM 1707 O VAL A 108 -13.011 -6.323 -20.562 1.00 0.00 O ATOM 1708 CB VAL A 108 -11.065 -4.068 -21.745 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -11.347 -3.706 -20.288 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -9.768 -4.873 -21.828 1.00 0.00 C ATOM 0 H VAL A 108 -13.413 -3.150 -22.035 1.00 0.00 H new ATOM 0 HA VAL A 108 -12.017 -5.096 -23.368 1.00 0.00 H new ATOM 0 HB VAL A 108 -10.967 -3.151 -22.326 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.520 -3.115 -19.893 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -12.268 -3.126 -20.229 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -11.454 -4.618 -19.701 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.947 -4.282 -21.423 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.873 -5.792 -21.252 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.559 -5.119 -22.869 1.00 0.00 H new ATOM 1720 N GLU A 109 -11.667 -7.229 -22.039 1.00 0.00 N ATOM 1721 CA GLU A 109 -11.737 -8.545 -21.363 1.00 0.00 C ATOM 1722 C GLU A 109 -10.620 -8.635 -20.336 1.00 0.00 C ATOM 1723 O GLU A 109 -9.455 -8.747 -20.665 1.00 0.00 O ATOM 1724 CB GLU A 109 -11.575 -9.663 -22.394 1.00 0.00 C ATOM 1725 CG GLU A 109 -11.745 -11.019 -21.706 1.00 0.00 C ATOM 1726 CD GLU A 109 -13.200 -11.191 -21.264 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -13.430 -11.940 -20.329 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -14.058 -10.570 -21.867 1.00 0.00 O ATOM 0 H GLU A 109 -11.080 -7.199 -22.872 1.00 0.00 H new ATOM 0 HA GLU A 109 -12.702 -8.652 -20.868 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.314 -9.551 -23.187 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.593 -9.601 -22.862 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.464 -11.822 -22.388 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.082 -11.086 -20.844 1.00 0.00 H new ATOM 1736 N ILE A 110 -10.973 -8.584 -19.091 1.00 0.00 N ATOM 1737 CA ILE A 110 -9.945 -8.663 -18.021 1.00 0.00 C ATOM 1738 C ILE A 110 -9.532 -10.118 -17.814 1.00 0.00 C ATOM 1739 O ILE A 110 -10.071 -10.809 -16.972 1.00 0.00 O ATOM 1740 CB ILE A 110 -10.516 -8.127 -16.707 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -11.188 -6.775 -16.945 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -9.378 -7.956 -15.703 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -10.244 -5.877 -17.714 1.00 0.00 C ATOM 0 H ILE A 110 -11.934 -8.490 -18.763 1.00 0.00 H new ATOM 0 HA ILE A 110 -9.083 -8.067 -18.319 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.254 -8.829 -16.319 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -12.115 -6.910 -17.502 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.452 -6.314 -15.993 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.776 -7.574 -14.763 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -8.898 -8.919 -15.529 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -8.646 -7.252 -16.099 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.720 -4.911 -17.886 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.329 -5.734 -17.139 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -10.002 -6.338 -18.672 1.00 0.00 H new ATOM 1755 N ARG A 111 -8.570 -10.589 -18.555 1.00 0.00 N ATOM 1756 CA ARG A 111 -8.131 -11.998 -18.357 1.00 0.00 C ATOM 1757 C ARG A 111 -7.149 -12.037 -17.199 1.00 0.00 C ATOM 1758 O ARG A 111 -6.170 -11.320 -17.173 1.00 0.00 O ATOM 1759 CB ARG A 111 -7.460 -12.536 -19.621 1.00 0.00 C ATOM 1760 CG ARG A 111 -8.524 -13.145 -20.529 1.00 0.00 C ATOM 1761 CD ARG A 111 -7.991 -13.236 -21.960 1.00 0.00 C ATOM 1762 NE ARG A 111 -6.899 -14.248 -22.023 1.00 0.00 N ATOM 1763 CZ ARG A 111 -6.526 -14.736 -23.175 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -7.120 -14.349 -24.271 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -5.562 -15.615 -23.230 1.00 0.00 N ATOM 0 H ARG A 111 -8.074 -10.069 -19.279 1.00 0.00 H new ATOM 0 HA ARG A 111 -8.998 -12.622 -18.141 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.937 -11.733 -20.140 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.713 -13.286 -19.360 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -8.798 -14.137 -20.169 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.428 -12.536 -20.505 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -8.796 -13.511 -22.642 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.619 -12.264 -22.283 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.443 -14.560 -21.166 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.876 -13.665 -24.227 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -6.828 -14.730 -25.171 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -5.101 -15.920 -22.373 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -5.270 -15.996 -24.130 1.00 0.00 H new ATOM 1779 N LEU A 112 -7.408 -12.858 -16.229 1.00 0.00 N ATOM 1780 CA LEU A 112 -6.493 -12.922 -15.062 1.00 0.00 C ATOM 1781 C LEU A 112 -5.579 -14.140 -15.192 1.00 0.00 C ATOM 1782 O LEU A 112 -6.007 -15.268 -15.049 1.00 0.00 O ATOM 1783 CB LEU A 112 -7.317 -13.039 -13.779 1.00 0.00 C ATOM 1784 CG LEU A 112 -8.573 -12.165 -13.882 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -9.379 -12.287 -12.588 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -8.176 -10.699 -14.100 1.00 0.00 C ATOM 0 H LEU A 112 -8.211 -13.486 -16.192 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.886 -12.017 -15.027 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.600 -14.078 -13.612 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.718 -12.730 -12.923 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.176 -12.500 -14.726 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.273 -11.667 -12.656 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.669 -13.327 -12.437 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.770 -11.954 -11.747 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.074 -10.086 -14.172 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.570 -10.358 -13.261 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.602 -10.611 -15.022 1.00 0.00 H new ATOM 1798 N SER A 113 -4.319 -13.923 -15.450 1.00 0.00 N ATOM 1799 CA SER A 113 -3.380 -15.071 -15.574 1.00 0.00 C ATOM 1800 C SER A 113 -3.221 -15.729 -14.202 1.00 0.00 C ATOM 1801 O SER A 113 -3.523 -15.135 -13.187 1.00 0.00 O ATOM 1802 CB SER A 113 -2.021 -14.570 -16.060 1.00 0.00 C ATOM 1803 OG SER A 113 -2.192 -13.857 -17.277 1.00 0.00 O ATOM 0 H SER A 113 -3.900 -13.002 -15.580 1.00 0.00 H new ATOM 0 HA SER A 113 -3.772 -15.794 -16.289 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.568 -13.925 -15.307 1.00 0.00 H new ATOM 0 HB3 SER A 113 -1.343 -15.410 -16.209 1.00 0.00 H new ATOM 0 HG SER A 113 -2.185 -12.894 -17.096 1.00 0.00 H new ATOM 1809 N HIS A 114 -2.751 -16.946 -14.159 1.00 0.00 N ATOM 1810 CA HIS A 114 -2.581 -17.625 -12.844 1.00 0.00 C ATOM 1811 C HIS A 114 -2.048 -16.617 -11.820 1.00 0.00 C ATOM 1812 O HIS A 114 -0.859 -16.385 -11.718 1.00 0.00 O ATOM 1813 CB HIS A 114 -1.589 -18.785 -12.984 1.00 0.00 C ATOM 1814 CG HIS A 114 -0.533 -18.666 -11.918 1.00 0.00 C ATOM 1815 ND1 HIS A 114 0.814 -18.529 -12.224 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -0.613 -18.631 -10.548 1.00 0.00 C ATOM 1817 CE1 HIS A 114 1.482 -18.416 -11.060 1.00 0.00 C ATOM 1818 NE2 HIS A 114 0.658 -18.475 -10.013 1.00 0.00 N ATOM 0 H HIS A 114 -2.479 -17.497 -14.973 1.00 0.00 H new ATOM 0 HA HIS A 114 -3.543 -18.014 -12.510 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -2.110 -19.738 -12.891 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -1.129 -18.768 -13.972 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -1.525 -18.712 -9.975 1.00 0.00 H new ATOM 0 HE1 HIS A 114 2.552 -18.293 -10.984 1.00 0.00 H new ATOM 0 HE2 HIS A 114 0.909 -18.418 -9.026 1.00 0.00 H new ATOM 1827 N GLU A 115 -2.921 -16.009 -11.063 1.00 0.00 N ATOM 1828 CA GLU A 115 -2.462 -15.019 -10.049 1.00 0.00 C ATOM 1829 C GLU A 115 -3.680 -14.372 -9.390 1.00 0.00 C ATOM 1830 O GLU A 115 -3.875 -14.462 -8.194 1.00 0.00 O ATOM 1831 CB GLU A 115 -1.627 -13.934 -10.731 1.00 0.00 C ATOM 1832 CG GLU A 115 -0.387 -13.647 -9.886 1.00 0.00 C ATOM 1833 CD GLU A 115 0.432 -12.537 -10.544 1.00 0.00 C ATOM 1834 OE1 GLU A 115 0.097 -12.164 -11.657 1.00 0.00 O ATOM 1835 OE2 GLU A 115 1.379 -12.079 -9.926 1.00 0.00 O ATOM 0 H GLU A 115 -3.930 -16.155 -11.103 1.00 0.00 H new ATOM 0 HA GLU A 115 -1.857 -15.525 -9.297 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.334 -14.258 -11.730 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.218 -13.026 -10.851 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.681 -13.349 -8.879 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.216 -14.549 -9.788 1.00 0.00 H new ATOM 1843 N HIS A 116 -4.496 -13.717 -10.167 1.00 0.00 N ATOM 1844 CA HIS A 116 -5.703 -13.055 -9.600 1.00 0.00 C ATOM 1845 C HIS A 116 -6.965 -13.759 -10.102 1.00 0.00 C ATOM 1846 O HIS A 116 -7.068 -14.116 -11.257 1.00 0.00 O ATOM 1847 CB HIS A 116 -5.744 -11.595 -10.050 1.00 0.00 C ATOM 1848 CG HIS A 116 -4.643 -10.827 -9.375 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -3.340 -10.829 -9.854 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -4.633 -10.023 -8.262 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -2.607 -10.051 -9.037 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -3.347 -9.538 -8.054 1.00 0.00 N ATOM 0 H HIS A 116 -4.378 -13.611 -11.175 1.00 0.00 H new ATOM 0 HA HIS A 116 -5.658 -13.110 -8.512 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -5.632 -11.535 -11.133 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -6.711 -11.156 -9.804 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -5.491 -9.802 -7.644 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -1.550 -9.865 -9.162 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -3.035 -8.919 -7.306 1.00 0.00 H new ATOM 1861 N GLN A 117 -7.928 -13.951 -9.245 1.00 0.00 N ATOM 1862 CA GLN A 117 -9.188 -14.617 -9.674 1.00 0.00 C ATOM 1863 C GLN A 117 -10.351 -13.640 -9.518 1.00 0.00 C ATOM 1864 O GLN A 117 -11.502 -13.999 -9.671 1.00 0.00 O ATOM 1865 CB GLN A 117 -9.437 -15.854 -8.810 1.00 0.00 C ATOM 1866 CG GLN A 117 -8.304 -16.862 -9.025 1.00 0.00 C ATOM 1867 CD GLN A 117 -8.604 -18.140 -8.242 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -7.862 -19.099 -8.312 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -9.670 -18.194 -7.490 1.00 0.00 N ATOM 0 H GLN A 117 -7.896 -13.675 -8.264 1.00 0.00 H new ATOM 0 HA GLN A 117 -9.103 -14.921 -10.717 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -9.492 -15.572 -7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -10.394 -16.306 -9.070 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.201 -17.089 -10.086 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.356 -16.436 -8.697 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.294 -17.389 -7.431 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.879 -19.041 -6.962 1.00 0.00 H new ATOM 1878 N ALA A 118 -10.063 -12.405 -9.207 1.00 0.00 N ATOM 1879 CA ALA A 118 -11.158 -11.412 -9.034 1.00 0.00 C ATOM 1880 C ALA A 118 -10.763 -10.077 -9.663 1.00 0.00 C ATOM 1881 O ALA A 118 -9.652 -9.610 -9.511 1.00 0.00 O ATOM 1882 CB ALA A 118 -11.414 -11.199 -7.543 1.00 0.00 C ATOM 0 H ALA A 118 -9.120 -12.043 -9.066 1.00 0.00 H new ATOM 0 HA ALA A 118 -12.057 -11.788 -9.521 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.216 -10.472 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.703 -12.145 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -10.506 -10.828 -7.067 1.00 0.00 H new ATOM 1888 N TYR A 119 -11.675 -9.451 -10.350 1.00 0.00 N ATOM 1889 CA TYR A 119 -11.376 -8.134 -10.970 1.00 0.00 C ATOM 1890 C TYR A 119 -12.687 -7.351 -11.089 1.00 0.00 C ATOM 1891 O TYR A 119 -13.708 -7.895 -11.456 1.00 0.00 O ATOM 1892 CB TYR A 119 -10.741 -8.348 -12.345 1.00 0.00 C ATOM 1893 CG TYR A 119 -11.789 -8.697 -13.364 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -12.265 -10.007 -13.458 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -12.274 -7.708 -14.221 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -13.235 -10.328 -14.415 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -13.244 -8.024 -15.178 1.00 0.00 C ATOM 1898 CZ TYR A 119 -13.726 -9.336 -15.276 1.00 0.00 C ATOM 1899 OH TYR A 119 -14.684 -9.651 -16.217 1.00 0.00 O ATOM 0 H TYR A 119 -12.621 -9.798 -10.509 1.00 0.00 H new ATOM 0 HA TYR A 119 -10.673 -7.570 -10.357 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -10.214 -7.445 -12.652 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -10.001 -9.146 -12.289 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -11.886 -10.770 -12.794 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -11.900 -6.698 -14.145 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -13.605 -11.340 -14.490 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -13.621 -7.258 -15.840 1.00 0.00 H new ATOM 0 HH TYR A 119 -14.915 -8.849 -16.730 1.00 0.00 H new ATOM 1909 N ARG A 120 -12.684 -6.087 -10.752 1.00 0.00 N ATOM 1910 CA ARG A 120 -13.954 -5.304 -10.820 1.00 0.00 C ATOM 1911 C ARG A 120 -13.686 -3.871 -11.285 1.00 0.00 C ATOM 1912 O ARG A 120 -12.630 -3.318 -11.057 1.00 0.00 O ATOM 1913 CB ARG A 120 -14.570 -5.232 -9.421 1.00 0.00 C ATOM 1914 CG ARG A 120 -14.823 -6.635 -8.867 1.00 0.00 C ATOM 1915 CD ARG A 120 -15.254 -6.524 -7.400 1.00 0.00 C ATOM 1916 NE ARG A 120 -16.539 -7.250 -7.195 1.00 0.00 N ATOM 1917 CZ ARG A 120 -16.912 -7.582 -5.989 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -16.153 -7.291 -4.969 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -18.043 -8.207 -5.804 1.00 0.00 N ATOM 0 H ARG A 120 -11.865 -5.567 -10.436 1.00 0.00 H new ATOM 0 HA ARG A 120 -14.623 -5.797 -11.525 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.903 -4.687 -8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.507 -4.677 -9.459 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -15.596 -7.136 -9.449 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -13.920 -7.240 -8.949 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.483 -6.941 -6.752 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -15.370 -5.476 -7.124 1.00 0.00 H new ATOM 0 HE ARG A 120 -17.126 -7.487 -7.995 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -15.268 -6.804 -5.114 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -16.444 -7.550 -4.026 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -18.636 -8.436 -6.602 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -18.334 -8.466 -4.861 1.00 0.00 H new ATOM 1933 N TRP A 121 -14.665 -3.249 -11.886 1.00 0.00 N ATOM 1934 CA TRP A 121 -14.509 -1.831 -12.316 1.00 0.00 C ATOM 1935 C TRP A 121 -15.309 -0.966 -11.334 1.00 0.00 C ATOM 1936 O TRP A 121 -16.520 -1.048 -11.280 1.00 0.00 O ATOM 1937 CB TRP A 121 -15.068 -1.653 -13.730 1.00 0.00 C ATOM 1938 CG TRP A 121 -14.115 -2.220 -14.735 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -14.221 -3.441 -15.312 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -12.921 -1.607 -15.299 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -13.170 -3.613 -16.194 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -12.342 -2.511 -16.220 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -12.289 -0.367 -15.103 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -11.178 -2.194 -16.921 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -11.118 -0.049 -15.807 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -10.565 -0.961 -16.714 1.00 0.00 C ATOM 0 H TRP A 121 -15.571 -3.666 -12.098 1.00 0.00 H new ATOM 0 HA TRP A 121 -13.458 -1.543 -12.321 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -16.034 -2.150 -13.813 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -15.236 -0.595 -13.933 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -15.000 -4.163 -15.115 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -13.025 -4.452 -16.756 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -12.707 0.345 -14.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -10.755 -2.901 -17.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -10.640 0.906 -15.648 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -9.664 -0.708 -17.253 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.653 -0.164 -10.531 1.00 0.00 N ATOM 1958 CA LEU A 122 -15.406 0.659 -9.535 1.00 0.00 C ATOM 1959 C LEU A 122 -14.937 2.115 -9.560 1.00 0.00 C ATOM 1960 O LEU A 122 -13.993 2.468 -10.234 1.00 0.00 O ATOM 1961 CB LEU A 122 -15.182 0.118 -8.122 1.00 0.00 C ATOM 1962 CG LEU A 122 -14.636 -1.311 -8.161 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -13.281 -1.341 -7.468 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -15.595 -2.255 -7.433 1.00 0.00 C ATOM 0 H LEU A 122 -13.640 -0.044 -10.522 1.00 0.00 H new ATOM 0 HA LEU A 122 -16.462 0.606 -9.801 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -14.484 0.763 -7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -16.121 0.137 -7.568 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.535 -1.633 -9.197 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.883 -2.356 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.594 -0.670 -7.984 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.394 -1.019 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -15.200 -3.270 -7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -15.699 -1.938 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -16.570 -2.230 -7.920 1.00 0.00 H new ATOM 1976 N GLY A 123 -15.600 2.959 -8.809 1.00 0.00 N ATOM 1977 CA GLY A 123 -15.217 4.400 -8.762 1.00 0.00 C ATOM 1978 C GLY A 123 -14.081 4.613 -7.754 1.00 0.00 C ATOM 1979 O GLY A 123 -13.593 3.684 -7.142 1.00 0.00 O ATOM 0 H GLY A 123 -16.396 2.707 -8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -14.903 4.733 -9.751 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -16.080 5.004 -8.482 1.00 0.00 H new ATOM 1983 N LEU A 124 -13.657 5.836 -7.590 1.00 0.00 N ATOM 1984 CA LEU A 124 -12.549 6.140 -6.635 1.00 0.00 C ATOM 1985 C LEU A 124 -12.921 5.705 -5.217 1.00 0.00 C ATOM 1986 O LEU A 124 -12.136 5.099 -4.517 1.00 0.00 O ATOM 1987 CB LEU A 124 -12.292 7.647 -6.649 1.00 0.00 C ATOM 1988 CG LEU A 124 -11.371 8.050 -5.491 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -10.106 7.190 -5.489 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -10.976 9.515 -5.659 1.00 0.00 C ATOM 0 H LEU A 124 -14.034 6.647 -8.081 1.00 0.00 H new ATOM 0 HA LEU A 124 -11.655 5.595 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.839 7.935 -7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -13.238 8.183 -6.572 1.00 0.00 H new ATOM 0 HG LEU A 124 -11.900 7.903 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -9.464 7.489 -4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -10.379 6.141 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.572 7.326 -6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -10.321 9.811 -4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -10.454 9.645 -6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -11.871 10.137 -5.650 1.00 0.00 H new ATOM 2002 N GLU A 125 -14.103 6.024 -4.782 1.00 0.00 N ATOM 2003 CA GLU A 125 -14.505 5.644 -3.400 1.00 0.00 C ATOM 2004 C GLU A 125 -14.466 4.120 -3.239 1.00 0.00 C ATOM 2005 O GLU A 125 -13.841 3.606 -2.335 1.00 0.00 O ATOM 2006 CB GLU A 125 -15.913 6.171 -3.122 1.00 0.00 C ATOM 2007 CG GLU A 125 -16.947 5.256 -3.779 1.00 0.00 C ATOM 2008 CD GLU A 125 -18.327 5.913 -3.712 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -19.252 5.363 -4.287 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -18.435 6.956 -3.089 1.00 0.00 O ATOM 0 H GLU A 125 -14.808 6.529 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 125 -13.809 6.083 -2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -16.088 6.220 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.014 7.185 -3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -16.673 5.066 -4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -16.967 4.291 -3.273 1.00 0.00 H new ATOM 2018 N GLU A 126 -15.113 3.389 -4.106 1.00 0.00 N ATOM 2019 CA GLU A 126 -15.085 1.903 -3.984 1.00 0.00 C ATOM 2020 C GLU A 126 -13.656 1.416 -4.188 1.00 0.00 C ATOM 2021 O GLU A 126 -13.228 0.444 -3.605 1.00 0.00 O ATOM 2022 CB GLU A 126 -16.002 1.274 -5.032 1.00 0.00 C ATOM 2023 CG GLU A 126 -16.045 -0.236 -4.824 1.00 0.00 C ATOM 2024 CD GLU A 126 -17.235 -0.821 -5.588 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -17.453 -2.017 -5.478 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -17.913 -0.064 -6.262 1.00 0.00 O ATOM 0 H GLU A 126 -15.656 3.753 -4.889 1.00 0.00 H new ATOM 0 HA GLU A 126 -15.435 1.612 -2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -17.005 1.692 -4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -15.640 1.504 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -15.117 -0.689 -5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -16.132 -0.466 -3.762 1.00 0.00 H new ATOM 2034 N ALA A 127 -12.909 2.090 -5.011 1.00 0.00 N ATOM 2035 CA ALA A 127 -11.503 1.674 -5.238 1.00 0.00 C ATOM 2036 C ALA A 127 -10.685 1.997 -3.987 1.00 0.00 C ATOM 2037 O ALA A 127 -9.689 1.364 -3.697 1.00 0.00 O ATOM 2038 CB ALA A 127 -10.936 2.443 -6.429 1.00 0.00 C ATOM 0 H ALA A 127 -13.211 2.911 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 127 -11.459 0.604 -5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -9.903 2.140 -6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.529 2.226 -7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.971 3.513 -6.222 1.00 0.00 H new ATOM 2044 N CYS A 128 -11.098 2.996 -3.254 1.00 0.00 N ATOM 2045 CA CYS A 128 -10.353 3.394 -2.026 1.00 0.00 C ATOM 2046 C CYS A 128 -10.472 2.312 -0.949 1.00 0.00 C ATOM 2047 O CYS A 128 -9.508 1.971 -0.295 1.00 0.00 O ATOM 2048 CB CYS A 128 -10.936 4.704 -1.492 1.00 0.00 C ATOM 2049 SG CYS A 128 -11.100 4.600 0.309 1.00 0.00 S ATOM 0 H CYS A 128 -11.926 3.557 -3.455 1.00 0.00 H new ATOM 0 HA CYS A 128 -9.300 3.523 -2.277 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -10.290 5.539 -1.762 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -11.908 4.894 -1.946 1.00 0.00 H new ATOM 0 HG CYS A 128 -11.593 5.713 0.765 1.00 0.00 H new ATOM 2055 N GLN A 129 -11.644 1.773 -0.748 1.00 0.00 N ATOM 2056 CA GLN A 129 -11.800 0.724 0.305 1.00 0.00 C ATOM 2057 C GLN A 129 -11.016 -0.524 -0.090 1.00 0.00 C ATOM 2058 O GLN A 129 -10.335 -1.125 0.715 1.00 0.00 O ATOM 2059 CB GLN A 129 -13.275 0.338 0.474 1.00 0.00 C ATOM 2060 CG GLN A 129 -14.088 0.790 -0.738 1.00 0.00 C ATOM 2061 CD GLN A 129 -14.709 2.159 -0.458 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -15.900 2.341 -0.607 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -13.947 3.137 -0.048 1.00 0.00 N ATOM 0 H GLN A 129 -12.494 2.009 -1.261 1.00 0.00 H new ATOM 0 HA GLN A 129 -11.422 1.129 1.244 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -13.363 -0.742 0.596 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -13.675 0.795 1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -13.448 0.843 -1.619 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -14.870 0.063 -0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -12.946 2.985 0.078 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -14.353 4.052 0.147 1.00 0.00 H new ATOM 2072 N LEU A 130 -11.127 -0.931 -1.321 1.00 0.00 N ATOM 2073 CA LEU A 130 -10.411 -2.153 -1.767 1.00 0.00 C ATOM 2074 C LEU A 130 -8.894 -1.954 -1.661 1.00 0.00 C ATOM 2075 O LEU A 130 -8.185 -2.803 -1.161 1.00 0.00 O ATOM 2076 CB LEU A 130 -10.786 -2.435 -3.219 1.00 0.00 C ATOM 2077 CG LEU A 130 -12.307 -2.532 -3.358 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -12.660 -2.718 -4.826 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -12.843 -3.727 -2.573 1.00 0.00 C ATOM 0 H LEU A 130 -11.684 -0.468 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 130 -10.696 -2.991 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -10.404 -1.642 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -10.322 -3.365 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 130 -12.753 -1.618 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -13.742 -2.788 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -12.293 -1.867 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -12.198 -3.633 -5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -13.926 -3.779 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -12.394 -4.644 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -12.592 -3.612 -1.519 1.00 0.00 H new ATOM 2091 N ALA A 131 -8.385 -0.843 -2.128 1.00 0.00 N ATOM 2092 CA ALA A 131 -6.914 -0.618 -2.050 1.00 0.00 C ATOM 2093 C ALA A 131 -6.454 -0.754 -0.594 1.00 0.00 C ATOM 2094 O ALA A 131 -5.701 -1.643 -0.256 1.00 0.00 O ATOM 2095 CB ALA A 131 -6.579 0.783 -2.563 1.00 0.00 C ATOM 0 H ALA A 131 -8.921 -0.088 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.402 -1.358 -2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.503 0.944 -2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -6.904 0.879 -3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -7.091 1.526 -1.952 1.00 0.00 H new ATOM 2101 N GLN A 132 -6.919 0.108 0.271 1.00 0.00 N ATOM 2102 CA GLN A 132 -6.533 0.027 1.714 1.00 0.00 C ATOM 2103 C GLN A 132 -5.107 0.555 1.935 1.00 0.00 C ATOM 2104 O GLN A 132 -4.663 0.690 3.058 1.00 0.00 O ATOM 2105 CB GLN A 132 -6.629 -1.430 2.191 1.00 0.00 C ATOM 2106 CG GLN A 132 -5.229 -1.995 2.471 1.00 0.00 C ATOM 2107 CD GLN A 132 -5.334 -3.493 2.761 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -6.411 -4.005 2.993 1.00 0.00 O ATOM 2109 NE2 GLN A 132 -4.252 -4.223 2.760 1.00 0.00 N ATOM 0 H GLN A 132 -7.555 0.871 0.040 1.00 0.00 H new ATOM 0 HA GLN A 132 -7.219 0.649 2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -7.237 -1.484 3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -7.128 -2.035 1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -4.578 -1.824 1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -4.780 -1.480 3.320 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -3.347 -3.794 2.565 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -4.311 -5.223 2.954 1.00 0.00 H new ATOM 2118 N PHE A 133 -4.384 0.868 0.891 1.00 0.00 N ATOM 2119 CA PHE A 133 -2.996 1.389 1.093 1.00 0.00 C ATOM 2120 C PHE A 133 -3.006 2.912 0.934 1.00 0.00 C ATOM 2121 O PHE A 133 -3.596 3.445 0.017 1.00 0.00 O ATOM 2122 CB PHE A 133 -2.051 0.782 0.053 1.00 0.00 C ATOM 2123 CG PHE A 133 -2.354 -0.687 -0.120 1.00 0.00 C ATOM 2124 CD1 PHE A 133 -1.697 -1.633 0.676 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -3.286 -1.105 -1.080 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -1.972 -2.996 0.515 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -3.559 -2.469 -1.241 1.00 0.00 C ATOM 2128 CZ PHE A 133 -2.903 -3.414 -0.445 1.00 0.00 C ATOM 0 H PHE A 133 -4.687 0.788 -0.080 1.00 0.00 H new ATOM 0 HA PHE A 133 -2.652 1.118 2.091 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -2.163 1.300 -0.899 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -1.016 0.914 0.368 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -0.978 -1.311 1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -3.793 -0.376 -1.695 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.467 -3.725 1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -4.277 -2.792 -1.981 1.00 0.00 H new ATOM 0 HZ PHE A 133 -3.114 -4.466 -0.570 1.00 0.00 H new ATOM 2138 N LYS A 134 -2.359 3.619 1.820 1.00 0.00 N ATOM 2139 CA LYS A 134 -2.344 5.107 1.715 1.00 0.00 C ATOM 2140 C LYS A 134 -1.837 5.526 0.333 1.00 0.00 C ATOM 2141 O LYS A 134 -2.390 6.407 -0.297 1.00 0.00 O ATOM 2142 CB LYS A 134 -1.421 5.683 2.794 1.00 0.00 C ATOM 2143 CG LYS A 134 -1.443 7.216 2.740 1.00 0.00 C ATOM 2144 CD LYS A 134 -2.721 7.742 3.400 1.00 0.00 C ATOM 2145 CE LYS A 134 -2.678 9.271 3.452 1.00 0.00 C ATOM 2146 NZ LYS A 134 -3.323 9.827 2.228 1.00 0.00 N ATOM 0 H LYS A 134 -1.842 3.233 2.610 1.00 0.00 H new ATOM 0 HA LYS A 134 -3.356 5.488 1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.741 5.341 3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -0.404 5.320 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -0.568 7.619 3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -1.393 7.553 1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -3.595 7.411 2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.816 7.336 4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -3.193 9.630 4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -1.646 9.615 3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -3.294 10.866 2.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -2.813 9.494 1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -4.312 9.509 2.182 1.00 0.00 H new ATOM 2160 N GLU A 135 -0.792 4.911 -0.146 1.00 0.00 N ATOM 2161 CA GLU A 135 -0.264 5.289 -1.487 1.00 0.00 C ATOM 2162 C GLU A 135 -1.299 4.941 -2.558 1.00 0.00 C ATOM 2163 O GLU A 135 -1.528 5.698 -3.477 1.00 0.00 O ATOM 2164 CB GLU A 135 1.032 4.531 -1.757 1.00 0.00 C ATOM 2165 CG GLU A 135 2.085 4.930 -0.720 1.00 0.00 C ATOM 2166 CD GLU A 135 2.399 6.421 -0.856 1.00 0.00 C ATOM 2167 OE1 GLU A 135 2.081 6.981 -1.893 1.00 0.00 O ATOM 2168 OE2 GLU A 135 2.953 6.978 0.077 1.00 0.00 O ATOM 0 H GLU A 135 -0.283 4.167 0.330 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.065 6.360 -1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.853 3.457 -1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.393 4.754 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 135 1.721 4.715 0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 135 2.992 4.342 -0.863 1.00 0.00 H new ATOM 2176 N MET A 136 -1.933 3.804 -2.444 1.00 0.00 N ATOM 2177 CA MET A 136 -2.954 3.427 -3.462 1.00 0.00 C ATOM 2178 C MET A 136 -4.110 4.414 -3.426 1.00 0.00 C ATOM 2179 O MET A 136 -4.558 4.898 -4.447 1.00 0.00 O ATOM 2180 CB MET A 136 -3.515 2.040 -3.152 1.00 0.00 C ATOM 2181 CG MET A 136 -2.566 0.960 -3.665 1.00 0.00 C ATOM 2182 SD MET A 136 -3.449 -0.128 -4.805 1.00 0.00 S ATOM 2183 CE MET A 136 -4.165 1.169 -5.844 1.00 0.00 C ATOM 0 H MET A 136 -1.789 3.126 -1.696 1.00 0.00 H new ATOM 0 HA MET A 136 -2.477 3.433 -4.442 1.00 0.00 H new ATOM 0 HB2 MET A 136 -3.657 1.929 -2.077 1.00 0.00 H new ATOM 0 HB3 MET A 136 -4.494 1.924 -3.616 1.00 0.00 H new ATOM 0 HG2 MET A 136 -1.715 1.418 -4.169 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.169 0.383 -2.830 1.00 0.00 H new ATOM 0 HE1 MET A 136 -5.156 0.862 -6.178 1.00 0.00 H new ATOM 0 HE2 MET A 136 -4.245 2.092 -5.270 1.00 0.00 H new ATOM 0 HE3 MET A 136 -3.525 1.335 -6.711 1.00 0.00 H new ATOM 2193 N LYS A 137 -4.601 4.721 -2.260 1.00 0.00 N ATOM 2194 CA LYS A 137 -5.730 5.678 -2.182 1.00 0.00 C ATOM 2195 C LYS A 137 -5.285 6.966 -2.857 1.00 0.00 C ATOM 2196 O LYS A 137 -6.004 7.552 -3.640 1.00 0.00 O ATOM 2197 CB LYS A 137 -6.067 5.956 -0.717 1.00 0.00 C ATOM 2198 CG LYS A 137 -6.506 4.656 -0.047 1.00 0.00 C ATOM 2199 CD LYS A 137 -6.859 4.927 1.415 1.00 0.00 C ATOM 2200 CE LYS A 137 -6.920 3.599 2.164 1.00 0.00 C ATOM 2201 NZ LYS A 137 -7.610 3.792 3.471 1.00 0.00 N ATOM 0 H LYS A 137 -4.272 4.354 -1.367 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.615 5.272 -2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.198 6.368 -0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -6.861 6.700 -0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -7.368 4.239 -0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -5.708 3.916 -0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -6.114 5.581 1.868 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -7.817 5.442 1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -7.451 2.858 1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -5.913 3.215 2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -7.650 2.886 3.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -7.086 4.486 4.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -8.576 4.139 3.306 1.00 0.00 H new ATOM 2215 N ALA A 138 -4.086 7.396 -2.571 1.00 0.00 N ATOM 2216 CA ALA A 138 -3.571 8.634 -3.211 1.00 0.00 C ATOM 2217 C ALA A 138 -3.284 8.352 -4.685 1.00 0.00 C ATOM 2218 O ALA A 138 -3.581 9.155 -5.545 1.00 0.00 O ATOM 2219 CB ALA A 138 -2.290 9.090 -2.515 1.00 0.00 C ATOM 0 H ALA A 138 -3.443 6.942 -1.922 1.00 0.00 H new ATOM 0 HA ALA A 138 -4.317 9.424 -3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -1.920 9.998 -2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -2.499 9.291 -1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -1.536 8.307 -2.592 1.00 0.00 H new ATOM 2225 N ALA A 139 -2.715 7.213 -4.997 1.00 0.00 N ATOM 2226 CA ALA A 139 -2.436 6.906 -6.425 1.00 0.00 C ATOM 2227 C ALA A 139 -3.746 6.995 -7.204 1.00 0.00 C ATOM 2228 O ALA A 139 -3.817 7.595 -8.259 1.00 0.00 O ATOM 2229 CB ALA A 139 -1.864 5.490 -6.547 1.00 0.00 C ATOM 0 H ALA A 139 -2.436 6.493 -4.330 1.00 0.00 H new ATOM 0 HA ALA A 139 -1.712 7.616 -6.824 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.661 5.269 -7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.938 5.421 -5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -2.585 4.771 -6.158 1.00 0.00 H new ATOM 2235 N LEU A 140 -4.789 6.418 -6.678 1.00 0.00 N ATOM 2236 CA LEU A 140 -6.105 6.483 -7.370 1.00 0.00 C ATOM 2237 C LEU A 140 -6.625 7.921 -7.305 1.00 0.00 C ATOM 2238 O LEU A 140 -7.172 8.440 -8.258 1.00 0.00 O ATOM 2239 CB LEU A 140 -7.082 5.544 -6.666 1.00 0.00 C ATOM 2240 CG LEU A 140 -6.645 4.097 -6.896 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -7.072 3.236 -5.707 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -7.310 3.570 -8.165 1.00 0.00 C ATOM 0 H LEU A 140 -4.787 5.903 -5.797 1.00 0.00 H new ATOM 0 HA LEU A 140 -6.002 6.181 -8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -7.109 5.763 -5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -8.091 5.697 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 140 -5.561 4.056 -7.001 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -6.759 2.205 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -6.605 3.614 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -8.156 3.274 -5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -7.003 2.538 -8.335 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -8.393 3.612 -8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -7.009 4.183 -9.015 1.00 0.00 H new ATOM 2254 N GLN A 141 -6.443 8.571 -6.186 1.00 0.00 N ATOM 2255 CA GLN A 141 -6.910 9.980 -6.052 1.00 0.00 C ATOM 2256 C GLN A 141 -5.993 10.892 -6.866 1.00 0.00 C ATOM 2257 O GLN A 141 -6.444 11.697 -7.656 1.00 0.00 O ATOM 2258 CB GLN A 141 -6.878 10.382 -4.572 1.00 0.00 C ATOM 2259 CG GLN A 141 -6.298 11.791 -4.421 1.00 0.00 C ATOM 2260 CD GLN A 141 -6.462 12.250 -2.971 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -5.973 13.296 -2.594 1.00 0.00 O ATOM 2262 NE2 GLN A 141 -7.135 11.505 -2.139 1.00 0.00 N ATOM 0 H GLN A 141 -5.990 8.185 -5.358 1.00 0.00 H new ATOM 0 HA GLN A 141 -7.930 10.074 -6.426 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -7.885 10.349 -4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -6.276 9.670 -4.007 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -5.244 11.795 -4.699 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -6.808 12.481 -5.093 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -7.545 10.627 -2.458 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -7.252 11.800 -1.170 1.00 0.00 H new ATOM 2271 N GLU A 142 -4.706 10.764 -6.687 1.00 0.00 N ATOM 2272 CA GLU A 142 -3.760 11.613 -7.463 1.00 0.00 C ATOM 2273 C GLU A 142 -3.902 11.260 -8.940 1.00 0.00 C ATOM 2274 O GLU A 142 -3.870 12.114 -9.803 1.00 0.00 O ATOM 2275 CB GLU A 142 -2.329 11.333 -6.999 1.00 0.00 C ATOM 2276 CG GLU A 142 -2.165 11.785 -5.546 1.00 0.00 C ATOM 2277 CD GLU A 142 -0.733 11.513 -5.083 1.00 0.00 C ATOM 2278 OE1 GLU A 142 -0.035 10.792 -5.775 1.00 0.00 O ATOM 2279 OE2 GLU A 142 -0.360 12.031 -4.043 1.00 0.00 O ATOM 0 H GLU A 142 -4.270 10.109 -6.038 1.00 0.00 H new ATOM 0 HA GLU A 142 -3.982 12.669 -7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -2.109 10.269 -7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -1.619 11.859 -7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -2.391 12.848 -5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -2.871 11.255 -4.908 1.00 0.00 H new ATOM 2287 N GLY A 143 -4.081 10.001 -9.237 1.00 0.00 N ATOM 2288 CA GLY A 143 -4.251 9.595 -10.656 1.00 0.00 C ATOM 2289 C GLY A 143 -5.505 10.273 -11.203 1.00 0.00 C ATOM 2290 O GLY A 143 -5.508 10.813 -12.289 1.00 0.00 O ATOM 0 H GLY A 143 -4.116 9.240 -8.558 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.378 9.884 -11.241 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.341 8.511 -10.732 1.00 0.00 H new ATOM 2294 N HIS A 144 -6.567 10.264 -10.441 1.00 0.00 N ATOM 2295 CA HIS A 144 -7.826 10.920 -10.895 1.00 0.00 C ATOM 2296 C HIS A 144 -7.570 12.412 -11.099 1.00 0.00 C ATOM 2297 O HIS A 144 -8.127 13.035 -11.981 1.00 0.00 O ATOM 2298 CB HIS A 144 -8.907 10.736 -9.829 1.00 0.00 C ATOM 2299 CG HIS A 144 -9.912 9.715 -10.286 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -10.441 8.762 -9.425 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -10.508 9.489 -11.505 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -11.313 8.017 -10.130 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -11.388 8.419 -11.397 1.00 0.00 N ATOM 0 H HIS A 144 -6.615 9.828 -9.520 1.00 0.00 H new ATOM 0 HA HIS A 144 -8.156 10.471 -11.832 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -8.453 10.417 -8.891 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -9.404 11.687 -9.636 1.00 0.00 H new ATOM 0 HD1 HIS A 144 -10.211 8.647 -8.438 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -10.321 10.055 -12.406 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -11.881 7.196 -9.719 1.00 0.00 H new ATOM 2312 N GLN A 145 -6.738 12.992 -10.280 1.00 0.00 N ATOM 2313 CA GLN A 145 -6.452 14.448 -10.413 1.00 0.00 C ATOM 2314 C GLN A 145 -6.004 14.761 -11.842 1.00 0.00 C ATOM 2315 O GLN A 145 -6.478 15.693 -12.459 1.00 0.00 O ATOM 2316 CB GLN A 145 -5.339 14.830 -9.435 1.00 0.00 C ATOM 2317 CG GLN A 145 -5.103 16.339 -9.487 1.00 0.00 C ATOM 2318 CD GLN A 145 -6.259 17.059 -8.794 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -6.696 16.655 -7.734 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -6.780 18.119 -9.351 1.00 0.00 N ATOM 0 H GLN A 145 -6.243 12.520 -9.523 1.00 0.00 H new ATOM 0 HA GLN A 145 -7.354 15.018 -10.189 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -5.612 14.530 -8.423 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -4.421 14.300 -9.689 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -4.161 16.588 -8.999 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -5.023 16.670 -10.522 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -6.415 18.460 -10.240 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -7.552 18.606 -8.897 1.00 0.00 H new ATOM 2329 N PHE A 146 -5.096 13.991 -12.376 1.00 0.00 N ATOM 2330 CA PHE A 146 -4.629 14.255 -13.765 1.00 0.00 C ATOM 2331 C PHE A 146 -5.772 13.994 -14.746 1.00 0.00 C ATOM 2332 O PHE A 146 -6.032 14.783 -15.631 1.00 0.00 O ATOM 2333 CB PHE A 146 -3.460 13.329 -14.104 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.815 13.779 -15.396 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.400 13.456 -16.629 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.619 14.507 -15.363 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -2.788 13.863 -17.820 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.013 14.914 -16.557 1.00 0.00 C ATOM 2339 CZ PHE A 146 -1.600 14.588 -17.785 1.00 0.00 C ATOM 0 H PHE A 146 -4.659 13.194 -11.913 1.00 0.00 H new ATOM 0 HA PHE A 146 -4.306 15.293 -13.841 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -2.728 13.341 -13.297 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.812 12.302 -14.200 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.322 12.894 -16.659 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -1.164 14.755 -14.415 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -3.239 13.614 -18.769 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.093 15.479 -16.531 1.00 0.00 H new ATOM 0 HZ PHE A 146 -1.131 14.899 -18.707 1.00 0.00 H new ATOM 2349 N LEU A 147 -6.453 12.888 -14.597 1.00 0.00 N ATOM 2350 CA LEU A 147 -7.573 12.569 -15.530 1.00 0.00 C ATOM 2351 C LEU A 147 -8.544 13.747 -15.581 1.00 0.00 C ATOM 2352 O LEU A 147 -8.982 14.153 -16.640 1.00 0.00 O ATOM 2353 CB LEU A 147 -8.304 11.319 -15.034 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.302 10.175 -14.886 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.037 8.896 -14.485 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -6.580 9.951 -16.215 1.00 0.00 C ATOM 0 H LEU A 147 -6.282 12.193 -13.870 1.00 0.00 H new ATOM 0 HA LEU A 147 -7.177 12.385 -16.529 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -8.787 11.521 -14.078 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -9.090 11.041 -15.736 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.575 10.432 -14.116 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -7.320 8.082 -14.380 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.549 9.053 -13.536 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -8.767 8.640 -15.253 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -5.866 9.135 -16.108 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -7.308 9.698 -16.986 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.051 10.861 -16.500 1.00 0.00 H new ATOM 2368 N CYS A 148 -8.869 14.314 -14.455 1.00 0.00 N ATOM 2369 CA CYS A 148 -9.794 15.479 -14.456 1.00 0.00 C ATOM 2370 C CYS A 148 -9.126 16.624 -15.217 1.00 0.00 C ATOM 2371 O CYS A 148 -9.777 17.507 -15.739 1.00 0.00 O ATOM 2372 CB CYS A 148 -10.075 15.915 -13.015 1.00 0.00 C ATOM 2373 SG CYS A 148 -9.069 17.365 -12.617 1.00 0.00 S ATOM 0 H CYS A 148 -8.535 14.022 -13.536 1.00 0.00 H new ATOM 0 HA CYS A 148 -10.736 15.209 -14.933 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -11.133 16.149 -12.894 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -9.848 15.101 -12.327 1.00 0.00 H new ATOM 0 HG CYS A 148 -7.825 17.009 -12.490 1.00 0.00 H new ATOM 2379 N SER A 149 -7.822 16.610 -15.272 1.00 0.00 N ATOM 2380 CA SER A 149 -7.083 17.688 -15.985 1.00 0.00 C ATOM 2381 C SER A 149 -7.079 17.420 -17.491 1.00 0.00 C ATOM 2382 O SER A 149 -6.711 18.271 -18.277 1.00 0.00 O ATOM 2383 CB SER A 149 -5.640 17.717 -15.482 1.00 0.00 C ATOM 2384 OG SER A 149 -5.058 18.976 -15.792 1.00 0.00 O ATOM 0 H SER A 149 -7.233 15.892 -14.850 1.00 0.00 H new ATOM 0 HA SER A 149 -7.572 18.643 -15.793 1.00 0.00 H new ATOM 0 HB2 SER A 149 -5.615 17.547 -14.406 1.00 0.00 H new ATOM 0 HB3 SER A 149 -5.066 16.914 -15.945 1.00 0.00 H new ATOM 0 HG SER A 149 -5.353 19.263 -16.682 1.00 0.00 H new ATOM 2390 N ILE A 150 -7.470 16.248 -17.905 1.00 0.00 N ATOM 2391 CA ILE A 150 -7.470 15.941 -19.358 1.00 0.00 C ATOM 2392 C ILE A 150 -8.841 16.261 -19.944 1.00 0.00 C ATOM 2393 O ILE A 150 -9.500 17.202 -19.547 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.171 14.456 -19.565 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.004 14.037 -18.677 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -6.791 14.208 -21.021 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -5.635 12.583 -18.981 1.00 0.00 C ATOM 0 H ILE A 150 -7.789 15.492 -17.300 1.00 0.00 H new ATOM 0 HA ILE A 150 -6.708 16.542 -19.855 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.058 13.877 -19.308 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.146 14.686 -18.853 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.275 14.144 -17.627 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -6.578 13.149 -21.166 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -7.617 14.504 -21.668 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -5.906 14.793 -21.271 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -4.801 12.279 -18.348 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.493 11.941 -18.783 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -5.348 12.492 -20.028 1.00 0.00 H new ATOM 2409 N GLU A 151 -9.270 15.474 -20.883 1.00 0.00 N ATOM 2410 CA GLU A 151 -10.602 15.707 -21.508 1.00 0.00 C ATOM 2411 C GLU A 151 -11.644 14.972 -20.684 1.00 0.00 C ATOM 2412 O GLU A 151 -12.800 14.873 -21.044 1.00 0.00 O ATOM 2413 CB GLU A 151 -10.597 15.162 -22.933 1.00 0.00 C ATOM 2414 CG GLU A 151 -9.325 15.627 -23.631 1.00 0.00 C ATOM 2415 CD GLU A 151 -9.420 15.333 -25.130 1.00 0.00 C ATOM 2416 OE1 GLU A 151 -8.510 15.717 -25.848 1.00 0.00 O ATOM 2417 OE2 GLU A 151 -10.402 14.732 -25.534 1.00 0.00 O ATOM 0 H GLU A 151 -8.755 14.673 -21.249 1.00 0.00 H new ATOM 0 HA GLU A 151 -10.828 16.773 -21.538 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -10.645 14.073 -22.921 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -11.475 15.513 -23.475 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -9.180 16.695 -23.469 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -8.459 15.119 -23.206 1.00 0.00 H new ATOM 2425 N ALA A 152 -11.220 14.454 -19.578 1.00 0.00 N ATOM 2426 CA ALA A 152 -12.147 13.701 -18.688 1.00 0.00 C ATOM 2427 C ALA A 152 -13.243 14.633 -18.172 1.00 0.00 C ATOM 2428 O ALA A 152 -14.386 14.244 -18.034 1.00 0.00 O ATOM 2429 CB ALA A 152 -11.365 13.136 -17.501 1.00 0.00 C ATOM 0 H ALA A 152 -10.259 14.517 -19.242 1.00 0.00 H new ATOM 0 HA ALA A 152 -12.602 12.886 -19.252 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -12.042 12.585 -16.849 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -10.586 12.466 -17.864 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -10.909 13.954 -16.943 1.00 0.00 H new ATOM 2435 N LEU A 153 -12.905 15.859 -17.882 1.00 0.00 N ATOM 2436 CA LEU A 153 -13.932 16.809 -17.370 1.00 0.00 C ATOM 2437 C LEU A 153 -13.659 18.206 -17.930 1.00 0.00 C ATOM 2438 O LEU A 153 -12.718 18.403 -18.695 1.00 0.00 O ATOM 2439 CB LEU A 153 -13.867 16.848 -15.841 1.00 0.00 C ATOM 2440 CG LEU A 153 -15.021 17.694 -15.300 1.00 0.00 C ATOM 2441 CD1 LEU A 153 -16.347 16.963 -15.521 1.00 0.00 C ATOM 2442 CD2 LEU A 153 -14.817 17.932 -13.802 1.00 0.00 C ATOM 0 H LEU A 153 -11.965 16.243 -17.977 1.00 0.00 H new ATOM 0 HA LEU A 153 -14.923 16.481 -17.685 1.00 0.00 H new ATOM 0 HB2 LEU A 153 -13.924 15.837 -15.439 1.00 0.00 H new ATOM 0 HB3 LEU A 153 -12.914 17.266 -15.518 1.00 0.00 H new ATOM 0 HG LEU A 153 -15.044 18.649 -15.825 1.00 0.00 H new ATOM 0 HD11 LEU A 153 -17.166 17.570 -15.134 1.00 0.00 H new ATOM 0 HD12 LEU A 153 -16.495 16.792 -16.587 1.00 0.00 H new ATOM 0 HD13 LEU A 153 -16.326 16.006 -14.999 1.00 0.00 H new ATOM 0 HD21 LEU A 153 -15.638 18.535 -13.414 1.00 0.00 H new ATOM 0 HD22 LEU A 153 -14.792 16.975 -13.282 1.00 0.00 H new ATOM 0 HD23 LEU A 153 -13.875 18.456 -13.642 1.00 0.00 H new