USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 753 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 29 LYS NZ :NH3+ 158:sc= 0.997 (180deg=0.404) USER MOD Set 1.2: A 38 TYR OH : rot -66:sc= 1.26 USER MOD Single : A 14 CYS SG : rot 67:sc= -6.31! USER MOD Single : A 18 HIS : no HE2:sc= -0.888 K(o=-0.89,f=-1.9!) USER MOD Single : A 22 MET CE :methyl -137:sc= -0.948 (180deg=-1.63) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 98:sc= 1.28 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 27:sc= -0.974! USER MOD Single : A 40 SER OG : rot -160:sc= -1.74! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0508 F(o=-1.6!,f=-0.051) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0862 USER MOD Single : A 73 ASN : amide:sc= -0.0308 K(o=-0.031,f=-0.76) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -17:sc= -1.32 USER MOD Single : A 80 HIS : no HE2:sc= 0.752 K(o=0.75,f=-4!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.39 K(o=-1.4,f=-3.6!) USER MOD Single : A 85 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.109) USER MOD Single : A 86 SER OG : rot 180:sc= 0.0936 USER MOD Single : A 87 SER OG : rot 180:sc= 0.0204 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.852 K(o=0.85,f=-8.7!) USER MOD Single : A 104 ASN : amide:sc= -2.61! C(o=-2.6!,f=-6.5!) USER MOD Single : A 107 MET CE :methyl -154:sc= -0.308 (180deg=-1.71!) USER MOD Single : A 108 LYS NZ :NH3+ 179:sc= 0.851 (180deg=0.844) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= 1 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 97 N GLU A 7 -6.496 13.759 4.235 1.00 0.00 N ATOM 98 CA GLU A 7 -6.343 12.575 5.072 1.00 0.00 C ATOM 99 C GLU A 7 -5.460 11.560 4.368 1.00 0.00 C ATOM 100 O GLU A 7 -5.014 10.584 4.966 1.00 0.00 O ATOM 101 CB GLU A 7 -7.703 11.937 5.370 1.00 0.00 C ATOM 102 CG GLU A 7 -8.835 12.937 5.526 1.00 0.00 C ATOM 103 CD GLU A 7 -9.720 12.641 6.724 1.00 0.00 C ATOM 104 OE1 GLU A 7 -10.879 12.218 6.532 1.00 0.00 O ATOM 105 OE2 GLU A 7 -9.258 12.846 7.868 1.00 0.00 O ATOM 0 HA GLU A 7 -5.884 12.880 6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.952 11.245 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.624 11.348 6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.417 13.939 5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.443 12.935 4.621 1.00 0.00 H new ATOM 112 N PHE A 8 -5.192 11.832 3.099 1.00 0.00 N ATOM 113 CA PHE A 8 -4.390 10.967 2.269 1.00 0.00 C ATOM 114 C PHE A 8 -3.145 11.741 1.958 1.00 0.00 C ATOM 115 O PHE A 8 -2.945 12.203 0.838 1.00 0.00 O ATOM 116 CB PHE A 8 -5.097 10.640 0.950 1.00 0.00 C ATOM 117 CG PHE A 8 -6.591 10.704 1.012 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.351 9.596 1.329 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.235 11.897 0.734 1.00 0.00 C ATOM 120 CE1 PHE A 8 -8.728 9.679 1.369 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.606 11.983 0.774 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.354 10.879 1.090 1.00 0.00 C ATOM 0 H PHE A 8 -5.531 12.666 2.620 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.195 10.026 2.783 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.748 11.333 0.184 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.802 9.640 0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.864 8.657 1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.653 12.771 0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.315 8.808 1.618 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.094 12.921 0.556 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.431 10.947 1.121 1.00 0.00 H new ATOM 132 N ALA A 9 -2.335 11.940 2.962 1.00 0.00 N ATOM 133 CA ALA A 9 -1.160 12.708 2.788 1.00 0.00 C ATOM 134 C ALA A 9 -0.053 12.213 3.684 1.00 0.00 C ATOM 135 O ALA A 9 -0.033 11.062 4.120 1.00 0.00 O ATOM 136 CB ALA A 9 -1.476 14.173 3.046 1.00 0.00 C ATOM 0 H ALA A 9 -2.478 11.576 3.904 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.808 12.601 1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.573 14.769 2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.239 14.510 2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.842 14.292 4.066 1.00 0.00 H new ATOM 142 N LEU A 10 0.832 13.119 3.960 1.00 0.00 N ATOM 143 CA LEU A 10 2.015 12.851 4.745 1.00 0.00 C ATOM 144 C LEU A 10 1.686 12.391 6.160 1.00 0.00 C ATOM 145 O LEU A 10 1.283 13.189 7.004 1.00 0.00 O ATOM 146 CB LEU A 10 2.857 14.107 4.783 1.00 0.00 C ATOM 147 CG LEU A 10 3.558 14.462 3.462 1.00 0.00 C ATOM 148 CD1 LEU A 10 2.724 15.452 2.657 1.00 0.00 C ATOM 149 CD2 LEU A 10 4.946 15.028 3.730 1.00 0.00 C ATOM 0 H LEU A 10 0.759 14.086 3.644 1.00 0.00 H new ATOM 0 HA LEU A 10 2.562 12.034 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.222 14.943 5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.614 13.995 5.559 1.00 0.00 H new ATOM 0 HG LEU A 10 3.664 13.549 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.239 15.689 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.753 15.011 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.583 16.364 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.428 15.274 2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.861 15.928 4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.545 14.287 4.260 1.00 0.00 H new ATOM 161 N GLY A 11 1.853 11.092 6.400 1.00 0.00 N ATOM 162 CA GLY A 11 1.594 10.529 7.713 1.00 0.00 C ATOM 163 C GLY A 11 0.126 10.540 8.044 1.00 0.00 C ATOM 164 O GLY A 11 -0.260 10.451 9.212 1.00 0.00 O ATOM 0 H GLY A 11 2.165 10.416 5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.968 9.506 7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.141 11.096 8.466 1.00 0.00 H new ATOM 168 N GLY A 12 -0.690 10.630 7.008 1.00 0.00 N ATOM 169 CA GLY A 12 -2.118 10.669 7.196 1.00 0.00 C ATOM 170 C GLY A 12 -2.692 9.302 7.468 1.00 0.00 C ATOM 171 O GLY A 12 -2.160 8.290 7.003 1.00 0.00 O ATOM 0 H GLY A 12 -0.384 10.677 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.356 11.333 8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.589 11.089 6.307 1.00 0.00 H new ATOM 175 N ARG A 13 -3.762 9.270 8.240 1.00 0.00 N ATOM 176 CA ARG A 13 -4.422 8.022 8.562 1.00 0.00 C ATOM 177 C ARG A 13 -5.418 7.703 7.463 1.00 0.00 C ATOM 178 O ARG A 13 -6.378 8.444 7.252 1.00 0.00 O ATOM 179 CB ARG A 13 -5.140 8.116 9.910 1.00 0.00 C ATOM 180 CG ARG A 13 -4.463 7.324 11.019 1.00 0.00 C ATOM 181 CD ARG A 13 -3.121 7.926 11.401 1.00 0.00 C ATOM 182 NE ARG A 13 -2.607 7.354 12.641 1.00 0.00 N ATOM 183 CZ ARG A 13 -1.352 7.489 13.061 1.00 0.00 C ATOM 184 NH1 ARG A 13 -0.477 8.189 12.345 1.00 0.00 N ATOM 185 NH2 ARG A 13 -0.978 6.930 14.205 1.00 0.00 N ATOM 0 H ARG A 13 -4.192 10.096 8.656 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.677 7.229 8.635 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.200 9.163 10.208 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.163 7.759 9.793 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.112 7.296 11.894 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.320 6.293 10.695 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.404 7.757 10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.225 9.005 11.514 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.250 6.817 13.222 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.767 8.625 11.470 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.484 8.290 12.671 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.652 6.400 14.758 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.017 7.030 14.532 1.00 0.00 H new ATOM 199 N CYS A 14 -5.187 6.622 6.749 1.00 0.00 N ATOM 200 CA CYS A 14 -6.070 6.242 5.670 1.00 0.00 C ATOM 201 C CYS A 14 -6.469 4.788 5.768 1.00 0.00 C ATOM 202 O CYS A 14 -5.963 4.039 6.604 1.00 0.00 O ATOM 203 CB CYS A 14 -5.388 6.487 4.329 1.00 0.00 C ATOM 204 SG CYS A 14 -5.684 8.127 3.648 1.00 0.00 S ATOM 0 H CYS A 14 -4.397 5.993 6.896 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.970 6.852 5.747 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.314 6.342 4.447 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.734 5.740 3.615 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.120 9.020 4.406 1.00 0.00 H new ATOM 210 N LEU A 15 -7.398 4.414 4.923 1.00 0.00 N ATOM 211 CA LEU A 15 -7.866 3.052 4.834 1.00 0.00 C ATOM 212 C LEU A 15 -7.514 2.560 3.457 1.00 0.00 C ATOM 213 O LEU A 15 -7.498 3.344 2.517 1.00 0.00 O ATOM 214 CB LEU A 15 -9.377 2.980 5.043 1.00 0.00 C ATOM 215 CG LEU A 15 -9.838 3.072 6.491 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.336 3.293 6.540 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.456 1.811 7.250 1.00 0.00 C ATOM 0 H LEU A 15 -7.855 5.052 4.271 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.402 2.439 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.844 3.787 4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.741 2.043 4.622 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.344 3.918 6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.660 3.358 7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.584 4.220 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.843 2.460 6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.793 1.892 8.284 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.928 0.947 6.782 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.373 1.688 7.230 1.00 0.00 H new ATOM 229 N ALA A 16 -7.212 1.298 3.312 1.00 0.00 N ATOM 230 CA ALA A 16 -6.869 0.800 2.003 1.00 0.00 C ATOM 231 C ALA A 16 -7.412 -0.591 1.835 1.00 0.00 C ATOM 232 O ALA A 16 -7.533 -1.342 2.803 1.00 0.00 O ATOM 233 CB ALA A 16 -5.373 0.879 1.750 1.00 0.00 C ATOM 0 H ALA A 16 -7.195 0.608 4.063 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.332 1.434 1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.152 0.495 0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.046 1.917 1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.846 0.282 2.494 1.00 0.00 H new ATOM 239 N PHE A 17 -7.761 -0.921 0.615 1.00 0.00 N ATOM 240 CA PHE A 17 -8.354 -2.206 0.329 1.00 0.00 C ATOM 241 C PHE A 17 -7.333 -3.323 0.229 1.00 0.00 C ATOM 242 O PHE A 17 -6.605 -3.456 -0.758 1.00 0.00 O ATOM 243 CB PHE A 17 -9.213 -2.123 -0.926 1.00 0.00 C ATOM 244 CG PHE A 17 -10.568 -1.541 -0.641 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.530 -2.294 0.016 1.00 0.00 C ATOM 246 CD2 PHE A 17 -10.874 -0.244 -1.010 1.00 0.00 C ATOM 247 CE1 PHE A 17 -12.772 -1.764 0.295 1.00 0.00 C ATOM 248 CE2 PHE A 17 -12.118 0.292 -0.734 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.067 -0.469 -0.082 1.00 0.00 C ATOM 0 H PHE A 17 -7.644 -0.316 -0.198 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.991 -2.461 1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.706 -1.513 -1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.328 -3.119 -1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.304 -3.307 0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.134 0.356 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.512 -2.361 0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.347 1.306 -1.028 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.040 -0.052 0.133 1.00 0.00 H new ATOM 259 N HIS A 18 -7.296 -4.111 1.284 1.00 0.00 N ATOM 260 CA HIS A 18 -6.440 -5.267 1.372 1.00 0.00 C ATOM 261 C HIS A 18 -7.337 -6.477 1.167 1.00 0.00 C ATOM 262 O HIS A 18 -8.057 -6.899 2.078 1.00 0.00 O ATOM 263 CB HIS A 18 -5.727 -5.311 2.731 1.00 0.00 C ATOM 264 CG HIS A 18 -4.927 -6.555 2.966 1.00 0.00 C ATOM 265 ND1 HIS A 18 -4.908 -7.162 4.197 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.152 -7.264 2.108 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.132 -8.219 4.067 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.650 -8.325 2.820 1.00 0.00 N ATOM 0 H HIS A 18 -7.869 -3.961 2.114 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.653 -5.242 0.618 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.066 -4.448 2.810 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.471 -5.216 3.522 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -5.395 -6.857 5.040 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.966 -7.038 1.068 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.912 -8.913 4.865 1.00 0.00 H new ATOM 276 N GLY A 19 -7.335 -6.997 -0.046 1.00 0.00 N ATOM 277 CA GLY A 19 -8.198 -8.109 -0.359 1.00 0.00 C ATOM 278 C GLY A 19 -9.623 -7.619 -0.509 1.00 0.00 C ATOM 279 O GLY A 19 -9.891 -6.744 -1.336 1.00 0.00 O ATOM 0 H GLY A 19 -6.753 -6.670 -0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.869 -8.590 -1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.142 -8.859 0.430 1.00 0.00 H new ATOM 283 N PRO A 20 -10.562 -8.158 0.267 1.00 0.00 N ATOM 284 CA PRO A 20 -11.951 -7.735 0.231 1.00 0.00 C ATOM 285 C PRO A 20 -12.291 -6.700 1.297 1.00 0.00 C ATOM 286 O PRO A 20 -13.423 -6.225 1.358 1.00 0.00 O ATOM 287 CB PRO A 20 -12.712 -9.027 0.545 1.00 0.00 C ATOM 288 CG PRO A 20 -11.692 -10.013 1.048 1.00 0.00 C ATOM 289 CD PRO A 20 -10.386 -9.275 1.190 1.00 0.00 C ATOM 0 HA PRO A 20 -12.194 -7.267 -0.723 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.483 -8.850 1.295 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.214 -9.408 -0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.002 -10.432 2.005 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.589 -10.847 0.353 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.219 -8.936 2.212 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.534 -9.898 0.917 1.00 0.00 H new ATOM 297 N LEU A 21 -11.328 -6.342 2.137 1.00 0.00 N ATOM 298 CA LEU A 21 -11.616 -5.406 3.213 1.00 0.00 C ATOM 299 C LEU A 21 -10.718 -4.180 3.223 1.00 0.00 C ATOM 300 O LEU A 21 -9.732 -4.093 2.500 1.00 0.00 O ATOM 301 CB LEU A 21 -11.502 -6.111 4.562 1.00 0.00 C ATOM 302 CG LEU A 21 -12.644 -7.064 4.899 1.00 0.00 C ATOM 303 CD1 LEU A 21 -12.705 -7.292 6.390 1.00 0.00 C ATOM 304 CD2 LEU A 21 -13.965 -6.507 4.408 1.00 0.00 C ATOM 0 H LEU A 21 -10.365 -6.676 2.097 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.632 -5.055 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.566 -6.670 4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.439 -5.355 5.344 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.459 -8.015 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.524 -7.974 6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.765 -7.726 6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.871 -6.341 6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.768 -7.201 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.155 -5.546 4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.924 -6.373 3.327 1.00 0.00 H new ATOM 316 N MET A 22 -11.093 -3.246 4.086 1.00 0.00 N ATOM 317 CA MET A 22 -10.384 -1.995 4.280 1.00 0.00 C ATOM 318 C MET A 22 -9.522 -2.103 5.530 1.00 0.00 C ATOM 319 O MET A 22 -10.006 -2.506 6.582 1.00 0.00 O ATOM 320 CB MET A 22 -11.389 -0.841 4.438 1.00 0.00 C ATOM 321 CG MET A 22 -11.224 0.262 3.402 1.00 0.00 C ATOM 322 SD MET A 22 -12.382 1.622 3.638 1.00 0.00 S ATOM 323 CE MET A 22 -13.924 0.840 3.173 1.00 0.00 C ATOM 0 H MET A 22 -11.916 -3.342 4.681 1.00 0.00 H new ATOM 0 HA MET A 22 -9.753 -1.794 3.414 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.401 -1.241 4.372 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.281 -0.411 5.434 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.205 0.647 3.447 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.362 -0.158 2.406 1.00 0.00 H new ATOM 0 HE1 MET A 22 -14.505 1.522 2.552 1.00 0.00 H new ATOM 0 HE2 MET A 22 -13.715 -0.072 2.613 1.00 0.00 H new ATOM 0 HE3 MET A 22 -14.492 0.593 4.070 1.00 0.00 H new ATOM 333 N TYR A 23 -8.252 -1.768 5.415 1.00 0.00 N ATOM 334 CA TYR A 23 -7.348 -1.840 6.553 1.00 0.00 C ATOM 335 C TYR A 23 -6.727 -0.484 6.831 1.00 0.00 C ATOM 336 O TYR A 23 -6.600 0.344 5.927 1.00 0.00 O ATOM 337 CB TYR A 23 -6.262 -2.888 6.303 1.00 0.00 C ATOM 338 CG TYR A 23 -6.709 -4.288 6.643 1.00 0.00 C ATOM 339 CD1 TYR A 23 -6.390 -4.859 7.864 1.00 0.00 C ATOM 340 CD2 TYR A 23 -7.461 -5.031 5.743 1.00 0.00 C ATOM 341 CE1 TYR A 23 -6.805 -6.137 8.183 1.00 0.00 C ATOM 342 CE2 TYR A 23 -7.881 -6.308 6.051 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.549 -6.858 7.272 1.00 0.00 C ATOM 344 OH TYR A 23 -7.967 -8.133 7.586 1.00 0.00 O ATOM 0 H TYR A 23 -7.821 -1.444 4.549 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.922 -2.137 7.431 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.963 -2.852 5.255 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.381 -2.639 6.895 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.807 -4.296 8.578 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.721 -4.602 4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.549 -6.569 9.139 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.466 -6.874 5.341 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.481 -8.502 6.838 1.00 0.00 H new ATOM 354 N GLU A 24 -6.368 -0.256 8.089 1.00 0.00 N ATOM 355 CA GLU A 24 -5.757 1.002 8.498 1.00 0.00 C ATOM 356 C GLU A 24 -4.356 1.112 7.913 1.00 0.00 C ATOM 357 O GLU A 24 -3.529 0.211 8.065 1.00 0.00 O ATOM 358 CB GLU A 24 -5.706 1.116 10.027 1.00 0.00 C ATOM 359 CG GLU A 24 -5.931 -0.202 10.754 1.00 0.00 C ATOM 360 CD GLU A 24 -7.363 -0.376 11.229 1.00 0.00 C ATOM 361 OE1 GLU A 24 -7.973 0.611 11.696 1.00 0.00 O ATOM 362 OE2 GLU A 24 -7.892 -1.505 11.140 1.00 0.00 O ATOM 0 H GLU A 24 -6.490 -0.929 8.846 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.368 1.821 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.736 1.519 10.319 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.460 1.832 10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.671 -1.027 10.090 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.260 -0.258 11.611 1.00 0.00 H new ATOM 369 N ALA A 25 -4.093 2.218 7.245 1.00 0.00 N ATOM 370 CA ALA A 25 -2.810 2.424 6.611 1.00 0.00 C ATOM 371 C ALA A 25 -2.192 3.767 6.973 1.00 0.00 C ATOM 372 O ALA A 25 -2.859 4.801 6.942 1.00 0.00 O ATOM 373 CB ALA A 25 -2.978 2.321 5.108 1.00 0.00 C ATOM 0 H ALA A 25 -4.753 2.987 7.128 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.130 1.653 6.973 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.014 2.475 4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.359 1.333 4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.681 3.081 4.768 1.00 0.00 H new ATOM 379 N LYS A 26 -0.915 3.732 7.324 1.00 0.00 N ATOM 380 CA LYS A 26 -0.173 4.938 7.652 1.00 0.00 C ATOM 381 C LYS A 26 0.641 5.342 6.436 1.00 0.00 C ATOM 382 O LYS A 26 1.619 4.679 6.093 1.00 0.00 O ATOM 383 CB LYS A 26 0.745 4.694 8.857 1.00 0.00 C ATOM 384 CG LYS A 26 1.328 5.966 9.460 1.00 0.00 C ATOM 385 CD LYS A 26 2.782 6.178 9.056 1.00 0.00 C ATOM 386 CE LYS A 26 3.395 7.344 9.816 1.00 0.00 C ATOM 387 NZ LYS A 26 4.773 7.664 9.346 1.00 0.00 N ATOM 0 H LYS A 26 -0.368 2.873 7.389 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.864 5.738 7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.184 4.163 9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.563 4.041 8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.735 6.823 9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.258 5.917 10.547 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.354 5.271 9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.841 6.367 7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.761 8.223 9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.422 7.107 10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.149 8.465 9.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.387 6.835 9.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.746 7.916 8.337 1.00 0.00 H new ATOM 401 N ILE A 27 0.222 6.406 5.772 1.00 0.00 N ATOM 402 CA ILE A 27 0.912 6.878 4.579 1.00 0.00 C ATOM 403 C ILE A 27 2.263 7.452 4.922 1.00 0.00 C ATOM 404 O ILE A 27 2.410 8.254 5.842 1.00 0.00 O ATOM 405 CB ILE A 27 0.087 7.921 3.797 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.356 7.446 3.631 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.714 8.157 2.431 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.357 8.568 3.508 1.00 0.00 C ATOM 0 H ILE A 27 -0.592 6.960 6.037 1.00 0.00 H new ATOM 0 HA ILE A 27 1.045 6.007 3.938 1.00 0.00 H new ATOM 0 HB ILE A 27 0.084 8.855 4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.421 6.815 2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.624 6.824 4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.127 8.894 1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.732 8.525 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.733 7.221 1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.358 8.152 3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.322 9.187 4.405 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.115 9.177 2.637 1.00 0.00 H new ATOM 420 N LEU A 28 3.245 7.001 4.182 1.00 0.00 N ATOM 421 CA LEU A 28 4.605 7.425 4.372 1.00 0.00 C ATOM 422 C LEU A 28 5.110 8.200 3.162 1.00 0.00 C ATOM 423 O LEU A 28 5.987 9.057 3.282 1.00 0.00 O ATOM 424 CB LEU A 28 5.464 6.200 4.609 1.00 0.00 C ATOM 425 CG LEU A 28 6.903 6.504 4.964 1.00 0.00 C ATOM 426 CD1 LEU A 28 6.980 7.220 6.303 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.724 5.231 4.983 1.00 0.00 C ATOM 0 H LEU A 28 3.120 6.326 3.428 1.00 0.00 H new ATOM 0 HA LEU A 28 4.658 8.090 5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.021 5.611 5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.447 5.580 3.712 1.00 0.00 H new ATOM 0 HG LEU A 28 7.318 7.164 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.022 7.431 6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.423 8.156 6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.550 6.587 7.079 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.756 5.468 5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.314 4.545 5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.693 4.763 3.999 1.00 0.00 H new ATOM 439 N LYS A 29 4.573 7.889 1.995 1.00 0.00 N ATOM 440 CA LYS A 29 4.978 8.573 0.777 1.00 0.00 C ATOM 441 C LYS A 29 3.776 8.910 -0.089 1.00 0.00 C ATOM 442 O LYS A 29 2.942 8.054 -0.370 1.00 0.00 O ATOM 443 CB LYS A 29 5.943 7.724 -0.050 1.00 0.00 C ATOM 444 CG LYS A 29 7.100 7.144 0.735 1.00 0.00 C ATOM 445 CD LYS A 29 8.162 6.576 -0.185 1.00 0.00 C ATOM 446 CE LYS A 29 9.261 5.908 0.615 1.00 0.00 C ATOM 447 NZ LYS A 29 10.440 5.561 -0.219 1.00 0.00 N ATOM 0 H LYS A 29 3.860 7.172 1.864 1.00 0.00 H new ATOM 0 HA LYS A 29 5.478 9.490 1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.386 6.907 -0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.340 8.334 -0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.538 7.918 1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.735 6.361 1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.712 5.855 -0.867 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.584 7.373 -0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.573 6.571 1.422 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.869 5.003 1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.278 5.462 0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.263 4.663 -0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.605 6.314 -0.917 1.00 0.00 H new ATOM 461 N ILE A 30 3.697 10.157 -0.497 1.00 0.00 N ATOM 462 CA ILE A 30 2.623 10.622 -1.372 1.00 0.00 C ATOM 463 C ILE A 30 3.105 10.497 -2.799 1.00 0.00 C ATOM 464 O ILE A 30 4.284 10.648 -3.040 1.00 0.00 O ATOM 465 CB ILE A 30 2.230 12.092 -1.085 1.00 0.00 C ATOM 466 CG1 ILE A 30 1.881 12.277 0.391 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.068 12.515 -1.967 1.00 0.00 C ATOM 468 CD1 ILE A 30 1.099 11.125 0.967 1.00 0.00 C ATOM 0 H ILE A 30 4.368 10.881 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 30 1.736 10.014 -1.195 1.00 0.00 H new ATOM 0 HB ILE A 30 3.085 12.727 -1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.801 12.404 0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.304 13.194 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.806 13.551 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.354 12.424 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.209 11.874 -1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.884 11.320 2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.163 11.011 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.683 10.209 0.880 1.00 0.00 H new ATOM 480 N TRP A 31 2.234 10.234 -3.752 1.00 0.00 N ATOM 481 CA TRP A 31 2.699 10.069 -5.111 1.00 0.00 C ATOM 482 C TRP A 31 2.004 10.993 -6.096 1.00 0.00 C ATOM 483 O TRP A 31 0.777 10.952 -6.224 1.00 0.00 O ATOM 484 CB TRP A 31 2.470 8.651 -5.565 1.00 0.00 C ATOM 485 CG TRP A 31 2.786 8.487 -6.999 1.00 0.00 C ATOM 486 CD1 TRP A 31 1.920 8.503 -8.043 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.073 8.342 -7.539 1.00 0.00 C ATOM 488 NE1 TRP A 31 2.602 8.335 -9.217 1.00 0.00 N ATOM 489 CE2 TRP A 31 3.935 8.232 -8.928 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.332 8.283 -6.970 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.021 8.062 -9.757 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.412 8.115 -7.793 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.249 8.008 -9.175 1.00 0.00 C ATOM 0 H TRP A 31 1.228 10.132 -3.616 1.00 0.00 H new ATOM 0 HA TRP A 31 3.760 10.318 -5.100 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.088 7.974 -4.975 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.431 8.373 -5.385 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.851 8.630 -7.960 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.188 8.294 -10.148 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.460 8.368 -5.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.902 7.975 -10.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.403 8.065 -7.368 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.121 7.879 -9.799 1.00 0.00 H new ATOM 504 N ASP A 32 2.805 11.761 -6.833 1.00 0.00 N ATOM 505 CA ASP A 32 2.297 12.677 -7.848 1.00 0.00 C ATOM 506 C ASP A 32 2.630 12.136 -9.240 1.00 0.00 C ATOM 507 O ASP A 32 3.796 12.097 -9.637 1.00 0.00 O ATOM 508 CB ASP A 32 2.903 14.072 -7.679 1.00 0.00 C ATOM 509 CG ASP A 32 2.663 14.943 -8.896 1.00 0.00 C ATOM 510 OD1 ASP A 32 3.638 15.534 -9.415 1.00 0.00 O ATOM 511 OD2 ASP A 32 1.506 15.025 -9.347 1.00 0.00 O ATOM 0 H ASP A 32 3.821 11.765 -6.742 1.00 0.00 H new ATOM 0 HA ASP A 32 1.216 12.756 -7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.473 14.551 -6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.975 13.983 -7.502 1.00 0.00 H new ATOM 516 N PRO A 33 1.605 11.725 -9.997 1.00 0.00 N ATOM 517 CA PRO A 33 1.775 11.158 -11.342 1.00 0.00 C ATOM 518 C PRO A 33 2.113 12.193 -12.410 1.00 0.00 C ATOM 519 O PRO A 33 2.485 11.843 -13.528 1.00 0.00 O ATOM 520 CB PRO A 33 0.406 10.554 -11.635 1.00 0.00 C ATOM 521 CG PRO A 33 -0.549 11.372 -10.842 1.00 0.00 C ATOM 522 CD PRO A 33 0.185 11.777 -9.596 1.00 0.00 C ATOM 0 HA PRO A 33 2.608 10.455 -11.366 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.175 10.597 -12.699 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.366 9.505 -11.342 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.874 12.247 -11.405 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.444 10.799 -10.599 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.103 12.776 -9.268 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.023 11.098 -8.769 1.00 0.00 H new ATOM 530 N SER A 34 1.993 13.460 -12.059 1.00 0.00 N ATOM 531 CA SER A 34 2.261 14.545 -12.998 1.00 0.00 C ATOM 532 C SER A 34 3.758 14.700 -13.246 1.00 0.00 C ATOM 533 O SER A 34 4.187 15.060 -14.346 1.00 0.00 O ATOM 534 CB SER A 34 1.664 15.853 -12.471 1.00 0.00 C ATOM 535 OG SER A 34 0.269 15.716 -12.249 1.00 0.00 O ATOM 0 H SER A 34 1.711 13.769 -11.129 1.00 0.00 H new ATOM 0 HA SER A 34 1.790 14.300 -13.950 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.159 16.136 -11.542 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.846 16.655 -13.186 1.00 0.00 H new ATOM 0 HG SER A 34 -0.093 16.562 -11.911 1.00 0.00 H new ATOM 541 N SER A 35 4.550 14.406 -12.233 1.00 0.00 N ATOM 542 CA SER A 35 5.992 14.522 -12.343 1.00 0.00 C ATOM 543 C SER A 35 6.610 13.137 -12.264 1.00 0.00 C ATOM 544 O SER A 35 7.688 12.884 -12.802 1.00 0.00 O ATOM 545 CB SER A 35 6.525 15.419 -11.228 1.00 0.00 C ATOM 546 OG SER A 35 5.608 16.461 -10.938 1.00 0.00 O ATOM 0 H SER A 35 4.219 14.085 -11.323 1.00 0.00 H new ATOM 0 HA SER A 35 6.257 14.973 -13.299 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.703 14.825 -10.331 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.484 15.844 -11.524 1.00 0.00 H new ATOM 0 HG SER A 35 5.069 16.214 -10.158 1.00 0.00 H new ATOM 552 N LYS A 36 5.902 12.266 -11.549 1.00 0.00 N ATOM 553 CA LYS A 36 6.280 10.882 -11.352 1.00 0.00 C ATOM 554 C LYS A 36 7.302 10.814 -10.249 1.00 0.00 C ATOM 555 O LYS A 36 8.278 10.063 -10.281 1.00 0.00 O ATOM 556 CB LYS A 36 6.766 10.192 -12.620 1.00 0.00 C ATOM 557 CG LYS A 36 6.677 8.693 -12.483 1.00 0.00 C ATOM 558 CD LYS A 36 7.089 7.968 -13.753 1.00 0.00 C ATOM 559 CE LYS A 36 5.901 7.725 -14.670 1.00 0.00 C ATOM 560 NZ LYS A 36 6.140 6.590 -15.602 1.00 0.00 N ATOM 0 H LYS A 36 5.030 12.516 -11.082 1.00 0.00 H new ATOM 0 HA LYS A 36 5.386 10.327 -11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.167 10.520 -13.470 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.796 10.482 -12.825 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.314 8.368 -11.660 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.655 8.415 -12.225 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.842 8.555 -14.280 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.551 7.015 -13.495 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.015 7.520 -14.069 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.695 8.628 -15.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.306 6.458 -16.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.970 6.796 -16.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.311 5.722 -15.055 1.00 0.00 H new ATOM 574 N MET A 37 7.034 11.637 -9.279 1.00 0.00 N ATOM 575 CA MET A 37 7.802 11.754 -8.100 1.00 0.00 C ATOM 576 C MET A 37 6.857 11.479 -6.958 1.00 0.00 C ATOM 577 O MET A 37 5.646 11.367 -7.159 1.00 0.00 O ATOM 578 CB MET A 37 8.396 13.159 -7.996 1.00 0.00 C ATOM 579 CG MET A 37 9.232 13.556 -9.203 1.00 0.00 C ATOM 580 SD MET A 37 9.500 15.331 -9.307 1.00 0.00 S ATOM 581 CE MET A 37 10.659 15.414 -10.670 1.00 0.00 C ATOM 0 H MET A 37 6.234 12.269 -9.301 1.00 0.00 H new ATOM 0 HA MET A 37 8.638 11.055 -8.090 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.587 13.879 -7.872 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.015 13.218 -7.100 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.196 13.049 -9.155 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.737 13.213 -10.112 1.00 0.00 H new ATOM 0 HE1 MET A 37 10.924 16.454 -10.859 1.00 0.00 H new ATOM 0 HE2 MET A 37 11.557 14.850 -10.419 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.202 14.988 -11.563 1.00 0.00 H new ATOM 591 N TYR A 38 7.381 11.418 -5.779 1.00 0.00 N ATOM 592 CA TYR A 38 6.591 11.122 -4.629 1.00 0.00 C ATOM 593 C TYR A 38 7.109 11.974 -3.489 1.00 0.00 C ATOM 594 O TYR A 38 8.221 12.506 -3.572 1.00 0.00 O ATOM 595 CB TYR A 38 6.657 9.623 -4.278 1.00 0.00 C ATOM 596 CG TYR A 38 8.039 9.073 -4.011 1.00 0.00 C ATOM 597 CD1 TYR A 38 8.595 8.120 -4.845 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.767 9.482 -2.912 1.00 0.00 C ATOM 599 CE1 TYR A 38 9.844 7.593 -4.587 1.00 0.00 C ATOM 600 CE2 TYR A 38 10.017 8.972 -2.647 1.00 0.00 C ATOM 601 CZ TYR A 38 10.554 8.022 -3.488 1.00 0.00 C ATOM 602 OH TYR A 38 11.801 7.496 -3.225 1.00 0.00 O ATOM 0 H TYR A 38 8.370 11.572 -5.585 1.00 0.00 H new ATOM 0 HA TYR A 38 5.543 11.348 -4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.040 9.447 -3.397 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.213 9.057 -5.097 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.044 7.783 -5.711 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.346 10.219 -2.245 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.263 6.846 -5.245 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.573 9.314 -1.786 1.00 0.00 H new ATOM 0 HH TYR A 38 11.714 6.548 -2.994 1.00 0.00 H new ATOM 612 N THR A 39 6.337 12.130 -2.443 1.00 0.00 N ATOM 613 CA THR A 39 6.795 12.906 -1.323 1.00 0.00 C ATOM 614 C THR A 39 6.728 12.067 -0.063 1.00 0.00 C ATOM 615 O THR A 39 5.649 11.758 0.447 1.00 0.00 O ATOM 616 CB THR A 39 6.015 14.212 -1.153 1.00 0.00 C ATOM 617 OG1 THR A 39 4.681 13.954 -0.700 1.00 0.00 O ATOM 618 CG2 THR A 39 5.969 14.991 -2.455 1.00 0.00 C ATOM 0 H THR A 39 5.402 11.735 -2.345 1.00 0.00 H new ATOM 0 HA THR A 39 7.829 13.191 -1.517 1.00 0.00 H new ATOM 0 HB THR A 39 6.534 14.809 -0.404 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.663 13.113 -0.197 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.409 15.914 -2.307 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.984 15.229 -2.773 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.481 14.390 -3.222 1.00 0.00 H new ATOM 626 N SER A 40 7.889 11.692 0.413 1.00 0.00 N ATOM 627 CA SER A 40 8.004 10.855 1.589 1.00 0.00 C ATOM 628 C SER A 40 8.148 11.691 2.851 1.00 0.00 C ATOM 629 O SER A 40 8.188 12.919 2.803 1.00 0.00 O ATOM 630 CB SER A 40 9.214 9.930 1.432 1.00 0.00 C ATOM 631 OG SER A 40 9.162 8.843 2.338 1.00 0.00 O ATOM 0 H SER A 40 8.783 11.956 -0.001 1.00 0.00 H new ATOM 0 HA SER A 40 7.094 10.263 1.685 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.253 9.551 0.411 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.130 10.498 1.596 1.00 0.00 H new ATOM 0 HG SER A 40 10.059 8.462 2.443 1.00 0.00 H new ATOM 637 N ILE A 41 8.157 11.020 3.981 1.00 0.00 N ATOM 638 CA ILE A 41 8.346 11.682 5.260 1.00 0.00 C ATOM 639 C ILE A 41 9.356 10.897 6.085 1.00 0.00 C ATOM 640 O ILE A 41 9.317 9.665 6.099 1.00 0.00 O ATOM 641 CB ILE A 41 7.033 11.779 6.067 1.00 0.00 C ATOM 642 CG1 ILE A 41 5.811 11.688 5.161 1.00 0.00 C ATOM 643 CG2 ILE A 41 6.990 13.064 6.877 1.00 0.00 C ATOM 644 CD1 ILE A 41 4.776 10.719 5.677 1.00 0.00 C ATOM 0 H ILE A 41 8.035 10.009 4.044 1.00 0.00 H new ATOM 0 HA ILE A 41 8.699 12.693 5.055 1.00 0.00 H new ATOM 0 HB ILE A 41 7.009 10.931 6.752 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.361 12.676 5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.125 11.381 4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.056 13.110 7.437 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.830 13.085 7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.053 13.920 6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.928 10.694 4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.214 9.723 5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.438 11.039 6.663 1.00 0.00 H new ATOM 846 N ILE A 56 12.261 16.886 2.256 1.00 0.00 N ATOM 847 CA ILE A 56 11.653 15.908 1.372 1.00 0.00 C ATOM 848 C ILE A 56 10.841 16.596 0.295 1.00 0.00 C ATOM 849 O ILE A 56 9.664 16.908 0.474 1.00 0.00 O ATOM 850 CB ILE A 56 10.756 14.904 2.102 1.00 0.00 C ATOM 851 CG1 ILE A 56 11.466 14.311 3.336 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.348 13.813 1.119 1.00 0.00 C ATOM 853 CD1 ILE A 56 12.863 13.783 3.070 1.00 0.00 C ATOM 0 HA ILE A 56 12.481 15.352 0.932 1.00 0.00 H new ATOM 0 HB ILE A 56 9.865 15.413 2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.523 15.078 4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.856 13.501 3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.708 13.089 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.805 14.259 0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.239 13.310 0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.284 13.386 3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.816 12.991 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.494 14.592 2.702 1.00 0.00 H new ATOM 865 N LYS A 57 11.497 16.850 -0.814 1.00 0.00 N ATOM 866 CA LYS A 57 10.864 17.459 -1.963 1.00 0.00 C ATOM 867 C LYS A 57 10.388 16.340 -2.877 1.00 0.00 C ATOM 868 O LYS A 57 10.824 15.203 -2.705 1.00 0.00 O ATOM 869 CB LYS A 57 11.861 18.381 -2.679 1.00 0.00 C ATOM 870 CG LYS A 57 13.234 17.761 -2.885 1.00 0.00 C ATOM 871 CD LYS A 57 14.336 18.811 -2.844 1.00 0.00 C ATOM 872 CE LYS A 57 14.480 19.435 -1.462 1.00 0.00 C ATOM 873 NZ LYS A 57 15.728 20.234 -1.337 1.00 0.00 N ATOM 0 H LYS A 57 12.486 16.640 -0.946 1.00 0.00 H new ATOM 0 HA LYS A 57 10.013 18.070 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.450 18.661 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.971 19.299 -2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.415 17.013 -2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.260 17.243 -3.844 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.282 18.355 -3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.120 19.592 -3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.620 20.073 -1.261 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.476 18.649 -0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.786 20.640 -0.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.551 19.620 -1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.721 21.001 -2.039 1.00 0.00 H new ATOM 887 N PRO A 58 9.468 16.610 -3.816 1.00 0.00 N ATOM 888 CA PRO A 58 8.979 15.587 -4.742 1.00 0.00 C ATOM 889 C PRO A 58 10.135 14.892 -5.454 1.00 0.00 C ATOM 890 O PRO A 58 10.779 15.468 -6.334 1.00 0.00 O ATOM 891 CB PRO A 58 8.109 16.366 -5.742 1.00 0.00 C ATOM 892 CG PRO A 58 8.388 17.813 -5.483 1.00 0.00 C ATOM 893 CD PRO A 58 8.826 17.907 -4.049 1.00 0.00 C ATOM 0 HA PRO A 58 8.426 14.798 -4.232 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.357 16.097 -6.769 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.052 16.140 -5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.164 18.185 -6.152 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.499 18.418 -5.659 1.00 0.00 H new ATOM 0 HD2 PRO A 58 9.518 18.734 -3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.982 18.066 -3.378 1.00 0.00 H new ATOM 901 N GLN A 59 10.405 13.659 -5.052 1.00 0.00 N ATOM 902 CA GLN A 59 11.494 12.885 -5.628 1.00 0.00 C ATOM 903 C GLN A 59 10.948 11.717 -6.429 1.00 0.00 C ATOM 904 O GLN A 59 10.042 11.018 -5.982 1.00 0.00 O ATOM 905 CB GLN A 59 12.435 12.393 -4.529 1.00 0.00 C ATOM 906 CG GLN A 59 13.261 13.507 -3.906 1.00 0.00 C ATOM 907 CD GLN A 59 13.938 13.097 -2.613 1.00 0.00 C ATOM 908 OE1 GLN A 59 13.311 12.199 -1.866 1.00 0.00 O flip ATOM 909 NE2 GLN A 59 15.010 13.596 -2.278 1.00 0.00 N flip ATOM 0 H GLN A 59 9.882 13.171 -4.325 1.00 0.00 H new ATOM 0 HA GLN A 59 12.060 13.528 -6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.850 11.904 -3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.106 11.640 -4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.019 13.830 -4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 59 12.617 14.365 -3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 59 15.462 14.284 -2.880 1.00 0.00 H new ATOM 0 HE22 GLN A 59 15.447 13.322 -1.398 1.00 0.00 H new ATOM 918 N LYS A 60 11.503 11.533 -7.613 1.00 0.00 N ATOM 919 CA LYS A 60 11.094 10.488 -8.515 1.00 0.00 C ATOM 920 C LYS A 60 11.484 9.144 -7.965 1.00 0.00 C ATOM 921 O LYS A 60 12.509 9.010 -7.295 1.00 0.00 O ATOM 922 CB LYS A 60 11.709 10.698 -9.906 1.00 0.00 C ATOM 923 CG LYS A 60 11.272 9.651 -10.925 1.00 0.00 C ATOM 924 CD LYS A 60 11.510 10.099 -12.354 1.00 0.00 C ATOM 925 CE LYS A 60 10.571 11.225 -12.756 1.00 0.00 C ATOM 926 NZ LYS A 60 10.740 11.596 -14.182 1.00 0.00 N ATOM 0 H LYS A 60 12.259 12.115 -7.973 1.00 0.00 H new ATOM 0 HA LYS A 60 10.009 10.524 -8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.434 11.687 -10.271 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.796 10.681 -9.821 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.814 8.723 -10.743 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.213 9.434 -10.787 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.543 10.430 -12.464 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.373 9.253 -13.028 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.540 10.920 -12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.758 12.096 -12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.084 12.367 -14.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.718 11.911 -14.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.537 10.771 -14.782 1.00 0.00 H new ATOM 940 N LEU A 61 10.622 8.187 -8.230 1.00 0.00 N ATOM 941 CA LEU A 61 10.799 6.809 -7.809 1.00 0.00 C ATOM 942 C LEU A 61 12.255 6.369 -7.843 1.00 0.00 C ATOM 943 O LEU A 61 12.856 6.203 -8.908 1.00 0.00 O ATOM 944 CB LEU A 61 9.940 5.942 -8.696 1.00 0.00 C ATOM 945 CG LEU A 61 8.488 5.915 -8.269 1.00 0.00 C ATOM 946 CD1 LEU A 61 7.686 4.984 -9.154 1.00 0.00 C ATOM 947 CD2 LEU A 61 8.397 5.517 -6.813 1.00 0.00 C ATOM 0 H LEU A 61 9.761 8.345 -8.754 1.00 0.00 H new ATOM 0 HA LEU A 61 10.492 6.710 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.005 6.305 -9.722 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.333 4.925 -8.692 1.00 0.00 H new ATOM 0 HG LEU A 61 8.060 6.911 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.645 4.980 -8.829 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.742 5.326 -10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.092 3.975 -9.083 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.351 5.498 -6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.833 4.527 -6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.941 6.239 -6.204 1.00 0.00 H new ATOM 959 N GLY A 62 12.805 6.197 -6.653 1.00 0.00 N ATOM 960 CA GLY A 62 14.187 5.823 -6.508 1.00 0.00 C ATOM 961 C GLY A 62 14.509 4.360 -6.780 1.00 0.00 C ATOM 962 O GLY A 62 14.012 3.452 -6.109 1.00 0.00 O ATOM 0 H GLY A 62 12.305 6.313 -5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.783 6.438 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.504 6.063 -5.493 1.00 0.00 H new ATOM 966 N GLU A 63 15.346 4.170 -7.787 1.00 0.00 N ATOM 967 CA GLU A 63 15.887 2.877 -8.197 1.00 0.00 C ATOM 968 C GLU A 63 14.873 1.771 -8.501 1.00 0.00 C ATOM 969 O GLU A 63 14.562 1.520 -9.664 1.00 0.00 O ATOM 970 CB GLU A 63 16.887 2.386 -7.148 1.00 0.00 C ATOM 971 CG GLU A 63 17.901 3.444 -6.730 1.00 0.00 C ATOM 972 CD GLU A 63 18.513 4.178 -7.911 1.00 0.00 C ATOM 973 OE1 GLU A 63 18.080 5.315 -8.201 1.00 0.00 O ATOM 974 OE2 GLU A 63 19.435 3.630 -8.551 1.00 0.00 O ATOM 0 H GLU A 63 15.682 4.940 -8.366 1.00 0.00 H new ATOM 0 HA GLU A 63 16.362 3.075 -9.158 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.341 2.050 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 63 17.419 1.520 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 63 17.415 4.165 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 63 18.695 2.971 -6.152 1.00 0.00 H new ATOM 981 N ASP A 64 14.339 1.129 -7.471 1.00 0.00 N ATOM 982 CA ASP A 64 13.465 -0.026 -7.679 1.00 0.00 C ATOM 983 C ASP A 64 12.094 0.177 -7.072 1.00 0.00 C ATOM 984 O ASP A 64 11.310 -0.761 -6.958 1.00 0.00 O ATOM 985 CB ASP A 64 14.101 -1.276 -7.064 1.00 0.00 C ATOM 986 CG ASP A 64 15.574 -1.418 -7.393 1.00 0.00 C ATOM 987 OD1 ASP A 64 16.416 -1.018 -6.554 1.00 0.00 O ATOM 988 OD2 ASP A 64 15.898 -1.929 -8.486 1.00 0.00 O ATOM 0 H ASP A 64 14.490 1.381 -6.494 1.00 0.00 H new ATOM 0 HA ASP A 64 13.344 -0.148 -8.755 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.978 -1.243 -5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.569 -2.159 -7.419 1.00 0.00 H new ATOM 993 N GLU A 65 11.804 1.401 -6.696 1.00 0.00 N ATOM 994 CA GLU A 65 10.526 1.736 -6.093 1.00 0.00 C ATOM 995 C GLU A 65 9.433 1.886 -7.147 1.00 0.00 C ATOM 996 O GLU A 65 8.310 2.281 -6.843 1.00 0.00 O ATOM 997 CB GLU A 65 10.693 3.015 -5.303 1.00 0.00 C ATOM 998 CG GLU A 65 11.081 2.774 -3.851 1.00 0.00 C ATOM 999 CD GLU A 65 10.798 3.960 -2.956 1.00 0.00 C ATOM 1000 OE1 GLU A 65 11.608 4.907 -2.947 1.00 0.00 O ATOM 1001 OE2 GLU A 65 9.782 3.941 -2.230 1.00 0.00 O ATOM 0 H GLU A 65 12.440 2.192 -6.797 1.00 0.00 H new ATOM 0 HA GLU A 65 10.215 0.927 -5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.455 3.632 -5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.761 3.579 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.539 1.906 -3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.143 2.533 -3.800 1.00 0.00 H new ATOM 1008 N SER A 66 9.803 1.571 -8.382 1.00 0.00 N ATOM 1009 CA SER A 66 8.918 1.629 -9.542 1.00 0.00 C ATOM 1010 C SER A 66 7.506 1.128 -9.235 1.00 0.00 C ATOM 1011 O SER A 66 7.288 -0.042 -8.896 1.00 0.00 O ATOM 1012 CB SER A 66 9.532 0.820 -10.680 1.00 0.00 C ATOM 1013 OG SER A 66 10.940 1.008 -10.720 1.00 0.00 O ATOM 0 H SER A 66 10.747 1.261 -8.612 1.00 0.00 H new ATOM 0 HA SER A 66 8.819 2.675 -9.832 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.304 -0.238 -10.547 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.091 1.124 -11.629 1.00 0.00 H new ATOM 0 HG SER A 66 11.320 0.481 -11.454 1.00 0.00 H new ATOM 1019 N ILE A 67 6.571 2.052 -9.349 1.00 0.00 N ATOM 1020 CA ILE A 67 5.157 1.813 -9.104 1.00 0.00 C ATOM 1021 C ILE A 67 4.471 1.232 -10.337 1.00 0.00 C ATOM 1022 O ILE A 67 4.830 1.586 -11.461 1.00 0.00 O ATOM 1023 CB ILE A 67 4.470 3.152 -8.759 1.00 0.00 C ATOM 1024 CG1 ILE A 67 4.971 3.656 -7.420 1.00 0.00 C ATOM 1025 CG2 ILE A 67 2.952 3.042 -8.755 1.00 0.00 C ATOM 1026 CD1 ILE A 67 4.607 5.091 -7.160 1.00 0.00 C ATOM 0 H ILE A 67 6.776 3.013 -9.621 1.00 0.00 H new ATOM 0 HA ILE A 67 5.072 1.102 -8.282 1.00 0.00 H new ATOM 0 HB ILE A 67 4.731 3.867 -9.539 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.559 3.033 -6.626 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.055 3.549 -7.380 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.518 4.010 -8.507 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.607 2.732 -9.741 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.643 2.305 -8.014 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.993 5.394 -6.187 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.041 5.723 -7.935 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.522 5.199 -7.170 1.00 0.00 H new ATOM 1038 N PRO A 68 3.500 0.310 -10.155 1.00 0.00 N ATOM 1039 CA PRO A 68 2.743 -0.253 -11.276 1.00 0.00 C ATOM 1040 C PRO A 68 2.160 0.860 -12.144 1.00 0.00 C ATOM 1041 O PRO A 68 1.450 1.737 -11.645 1.00 0.00 O ATOM 1042 CB PRO A 68 1.630 -1.045 -10.592 1.00 0.00 C ATOM 1043 CG PRO A 68 2.194 -1.411 -9.263 1.00 0.00 C ATOM 1044 CD PRO A 68 3.093 -0.275 -8.861 1.00 0.00 C ATOM 0 HA PRO A 68 3.354 -0.865 -11.939 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.724 -0.447 -10.488 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.363 -1.931 -11.167 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.400 -1.557 -8.530 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.751 -2.346 -9.321 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.570 0.451 -8.238 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.953 -0.625 -8.290 1.00 0.00 H new ATOM 1052 N GLU A 69 2.445 0.813 -13.440 1.00 0.00 N ATOM 1053 CA GLU A 69 1.987 1.840 -14.379 1.00 0.00 C ATOM 1054 C GLU A 69 0.462 1.918 -14.470 1.00 0.00 C ATOM 1055 O GLU A 69 -0.084 2.824 -15.102 1.00 0.00 O ATOM 1056 CB GLU A 69 2.592 1.590 -15.761 1.00 0.00 C ATOM 1057 CG GLU A 69 4.113 1.508 -15.746 1.00 0.00 C ATOM 1058 CD GLU A 69 4.786 2.866 -15.637 1.00 0.00 C ATOM 1059 OE1 GLU A 69 4.639 3.534 -14.593 1.00 0.00 O ATOM 1060 OE2 GLU A 69 5.490 3.265 -16.591 1.00 0.00 O ATOM 0 H GLU A 69 2.995 0.070 -13.871 1.00 0.00 H new ATOM 0 HA GLU A 69 2.328 2.802 -13.998 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.189 0.661 -16.164 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.285 2.390 -16.435 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.428 0.885 -14.909 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.453 1.014 -16.656 1.00 0.00 H new ATOM 1067 N GLU A 70 -0.225 0.987 -13.826 1.00 0.00 N ATOM 1068 CA GLU A 70 -1.680 0.973 -13.835 1.00 0.00 C ATOM 1069 C GLU A 70 -2.243 1.826 -12.699 1.00 0.00 C ATOM 1070 O GLU A 70 -3.407 2.221 -12.732 1.00 0.00 O ATOM 1071 CB GLU A 70 -2.201 -0.462 -13.722 1.00 0.00 C ATOM 1072 CG GLU A 70 -1.724 -1.188 -12.477 1.00 0.00 C ATOM 1073 CD GLU A 70 -2.353 -2.555 -12.327 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -3.306 -2.696 -11.532 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -1.895 -3.497 -13.005 1.00 0.00 O ATOM 0 H GLU A 70 0.202 0.231 -13.290 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.015 1.398 -14.781 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.291 -0.445 -13.727 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.887 -1.023 -14.602 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.640 -1.293 -12.514 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.956 -0.586 -11.598 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.415 2.116 -11.697 1.00 0.00 N ATOM 1083 CA ILE A 71 -1.860 2.911 -10.555 1.00 0.00 C ATOM 1084 C ILE A 71 -1.054 4.204 -10.425 1.00 0.00 C ATOM 1085 O ILE A 71 -1.493 5.164 -9.790 1.00 0.00 O ATOM 1086 CB ILE A 71 -1.763 2.110 -9.233 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.305 1.917 -8.816 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.447 0.760 -9.382 1.00 0.00 C ATOM 1089 CD1 ILE A 71 -0.140 1.430 -7.391 1.00 0.00 C ATOM 0 H ILE A 71 -0.441 1.815 -11.653 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.905 3.163 -10.738 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.269 2.680 -8.454 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.166 1.203 -9.492 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.225 2.862 -8.932 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.371 0.208 -8.445 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.498 0.910 -9.630 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.963 0.193 -10.177 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.920 1.316 -7.166 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.581 2.154 -6.706 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.641 0.469 -7.275 1.00 0.00 H new ATOM 1101 N ILE A 72 0.120 4.211 -11.045 1.00 0.00 N ATOM 1102 CA ILE A 72 1.038 5.351 -11.018 1.00 0.00 C ATOM 1103 C ILE A 72 0.362 6.655 -11.428 1.00 0.00 C ATOM 1104 O ILE A 72 0.536 7.680 -10.779 1.00 0.00 O ATOM 1105 CB ILE A 72 2.245 5.060 -11.935 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.368 6.085 -11.741 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.839 4.974 -13.400 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.228 7.352 -12.572 1.00 0.00 C ATOM 0 H ILE A 72 0.468 3.420 -11.587 1.00 0.00 H new ATOM 0 HA ILE A 72 1.375 5.482 -9.990 1.00 0.00 H new ATOM 0 HB ILE A 72 2.630 4.084 -11.641 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.410 6.361 -10.687 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.319 5.611 -11.984 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.719 4.768 -14.010 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.112 4.172 -13.530 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.395 5.920 -13.711 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.068 8.016 -12.367 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.219 7.094 -13.631 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.296 7.855 -12.314 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.440 6.615 -12.473 1.00 0.00 N ATOM 1121 CA ASN A 73 -1.094 7.815 -12.959 1.00 0.00 C ATOM 1122 C ASN A 73 -2.396 8.076 -12.222 1.00 0.00 C ATOM 1123 O ASN A 73 -3.272 8.782 -12.721 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.349 7.709 -14.458 1.00 0.00 C ATOM 1125 CG ASN A 73 -0.073 7.766 -15.273 1.00 0.00 C ATOM 1126 OD1 ASN A 73 0.866 8.482 -14.933 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -0.029 7.004 -16.354 1.00 0.00 N ATOM 0 H ASN A 73 -0.654 5.769 -13.001 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.428 8.657 -12.770 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.869 6.774 -14.669 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.010 8.518 -14.768 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.806 6.997 -16.939 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.830 6.424 -16.602 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.521 7.520 -11.030 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.738 7.719 -10.265 1.00 0.00 C ATOM 1136 C GLY A 74 -3.491 8.198 -8.853 1.00 0.00 C ATOM 1137 O GLY A 74 -4.320 7.953 -7.975 1.00 0.00 O ATOM 0 H GLY A 74 -1.813 6.940 -10.579 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.368 8.444 -10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.293 6.782 -10.230 1.00 0.00 H new ATOM 1141 N LYS A 75 -2.370 8.903 -8.645 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.989 9.413 -7.319 1.00 0.00 C ATOM 1143 C LYS A 75 -1.861 8.253 -6.344 1.00 0.00 C ATOM 1144 O LYS A 75 -2.854 7.701 -5.862 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.988 10.451 -6.802 1.00 0.00 C ATOM 1146 CG LYS A 75 -2.403 11.410 -5.776 1.00 0.00 C ATOM 1147 CD LYS A 75 -1.868 12.669 -6.443 1.00 0.00 C ATOM 1148 CE LYS A 75 -1.427 13.704 -5.424 1.00 0.00 C ATOM 1149 NZ LYS A 75 -0.905 14.932 -6.080 1.00 0.00 N ATOM 0 H LYS A 75 -1.706 9.135 -9.384 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.026 9.915 -7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.370 11.026 -7.646 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.838 9.933 -6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.168 11.678 -5.047 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.600 10.916 -5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.026 12.410 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.639 13.096 -7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.268 13.964 -4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.656 13.278 -4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.613 15.617 -5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.087 14.687 -6.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.649 15.352 -6.673 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.640 7.904 -6.020 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.416 6.763 -5.151 1.00 0.00 C ATOM 1165 C CYS A 76 -0.022 7.200 -3.759 1.00 0.00 C ATOM 1166 O CYS A 76 0.275 8.365 -3.515 1.00 0.00 O ATOM 1167 CB CYS A 76 0.651 5.834 -5.736 1.00 0.00 C ATOM 1168 SG CYS A 76 0.366 5.362 -7.455 1.00 0.00 S ATOM 0 H CYS A 76 0.204 8.381 -6.336 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.356 6.215 -5.081 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.622 6.324 -5.662 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.703 4.931 -5.128 1.00 0.00 H new ATOM 0 HG CYS A 76 -0.871 5.606 -7.773 1.00 0.00 H new ATOM 1174 N PHE A 77 -0.065 6.256 -2.846 1.00 0.00 N ATOM 1175 CA PHE A 77 0.289 6.495 -1.472 1.00 0.00 C ATOM 1176 C PHE A 77 1.041 5.301 -0.929 1.00 0.00 C ATOM 1177 O PHE A 77 0.501 4.198 -0.853 1.00 0.00 O ATOM 1178 CB PHE A 77 -0.963 6.755 -0.633 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.669 8.016 -1.021 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -2.918 7.978 -1.620 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -1.072 9.239 -0.794 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -3.556 9.145 -1.988 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -1.704 10.409 -1.155 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.946 10.362 -1.754 1.00 0.00 C ATOM 0 H PHE A 77 -0.349 5.296 -3.041 1.00 0.00 H new ATOM 0 HA PHE A 77 0.926 7.378 -1.419 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.647 5.913 -0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.685 6.809 0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.396 7.027 -1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.098 9.280 -0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.528 9.107 -2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.228 11.361 -0.969 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.442 11.278 -2.040 1.00 0.00 H new ATOM 1194 N PHE A 78 2.295 5.508 -0.594 1.00 0.00 N ATOM 1195 CA PHE A 78 3.101 4.442 -0.039 1.00 0.00 C ATOM 1196 C PHE A 78 2.820 4.373 1.442 1.00 0.00 C ATOM 1197 O PHE A 78 3.303 5.197 2.218 1.00 0.00 O ATOM 1198 CB PHE A 78 4.589 4.674 -0.301 1.00 0.00 C ATOM 1199 CG PHE A 78 5.475 3.557 0.188 1.00 0.00 C ATOM 1200 CD1 PHE A 78 5.690 2.438 -0.596 1.00 0.00 C ATOM 1201 CD2 PHE A 78 6.091 3.630 1.429 1.00 0.00 C ATOM 1202 CE1 PHE A 78 6.502 1.409 -0.155 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.903 2.605 1.875 1.00 0.00 C ATOM 1204 CZ PHE A 78 7.109 1.496 1.083 1.00 0.00 C ATOM 0 H PHE A 78 2.778 6.401 -0.695 1.00 0.00 H new ATOM 0 HA PHE A 78 2.843 3.497 -0.517 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.743 4.805 -1.372 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.893 5.603 0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.218 2.367 -1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.934 4.497 2.053 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.661 0.540 -0.776 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.376 2.673 2.844 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.745 0.695 1.430 1.00 0.00 H new ATOM 1214 N ILE A 79 1.999 3.420 1.825 1.00 0.00 N ATOM 1215 CA ILE A 79 1.626 3.269 3.208 1.00 0.00 C ATOM 1216 C ILE A 79 2.280 2.078 3.836 1.00 0.00 C ATOM 1217 O ILE A 79 2.769 1.164 3.171 1.00 0.00 O ATOM 1218 CB ILE A 79 0.102 3.103 3.411 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.291 1.618 3.253 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.685 4.000 2.468 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.210 1.316 2.097 1.00 0.00 C ATOM 0 H ILE A 79 1.578 2.738 1.194 1.00 0.00 H new ATOM 0 HA ILE A 79 1.961 4.192 3.681 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.151 3.417 4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.619 1.029 3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.771 1.286 4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.752 3.858 2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.423 5.042 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.444 3.744 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.426 0.248 2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.140 1.871 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.730 1.610 1.164 1.00 0.00 H new ATOM 1233 N HIS A 80 2.247 2.118 5.132 1.00 0.00 N ATOM 1234 CA HIS A 80 2.751 1.074 5.955 1.00 0.00 C ATOM 1235 C HIS A 80 1.539 0.478 6.660 1.00 0.00 C ATOM 1236 O HIS A 80 0.962 1.110 7.548 1.00 0.00 O ATOM 1237 CB HIS A 80 3.782 1.674 6.907 1.00 0.00 C ATOM 1238 CG HIS A 80 3.901 0.992 8.218 1.00 0.00 C ATOM 1239 ND1 HIS A 80 4.605 -0.168 8.416 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.420 1.359 9.412 1.00 0.00 C ATOM 1241 CE1 HIS A 80 4.553 -0.490 9.695 1.00 0.00 C ATOM 1242 NE2 HIS A 80 3.836 0.428 10.330 1.00 0.00 N ATOM 0 H HIS A 80 1.857 2.901 5.656 1.00 0.00 H new ATOM 0 HA HIS A 80 3.262 0.281 5.408 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.756 1.660 6.418 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.528 2.720 7.081 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.091 -0.697 7.692 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.814 2.230 9.616 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.016 -1.354 10.148 1.00 0.00 H new ATOM 1251 N TYR A 81 1.115 -0.691 6.200 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.061 -1.364 6.745 1.00 0.00 C ATOM 1253 C TYR A 81 -0.003 -1.486 8.261 1.00 0.00 C ATOM 1254 O TYR A 81 0.845 -2.196 8.813 1.00 0.00 O ATOM 1255 CB TYR A 81 -0.232 -2.747 6.115 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.064 -2.736 4.850 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -0.665 -3.438 3.721 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -2.251 -2.016 4.786 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -1.422 -3.420 2.563 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -3.014 -1.995 3.634 1.00 0.00 C ATOM 1261 CZ TYR A 81 -2.594 -2.698 2.527 1.00 0.00 C ATOM 1262 OH TYR A 81 -3.349 -2.677 1.377 1.00 0.00 O ATOM 0 H TYR A 81 1.572 -1.199 5.443 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.924 -0.746 6.496 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.752 -3.159 5.890 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.698 -3.413 6.841 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.252 -4.008 3.747 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -2.583 -1.463 5.652 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.096 -3.969 1.692 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.934 -1.431 3.602 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.145 -2.123 1.518 1.00 0.00 H new ATOM 1272 N GLN A 82 -0.903 -0.770 8.921 1.00 0.00 N ATOM 1273 CA GLN A 82 -0.989 -0.801 10.373 1.00 0.00 C ATOM 1274 C GLN A 82 -1.598 -2.121 10.824 1.00 0.00 C ATOM 1275 O GLN A 82 -2.549 -2.614 10.221 1.00 0.00 O ATOM 1276 CB GLN A 82 -1.826 0.369 10.899 1.00 0.00 C ATOM 1277 CG GLN A 82 -1.128 1.718 10.794 1.00 0.00 C ATOM 1278 CD GLN A 82 -1.976 2.865 11.315 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -1.855 4.000 10.862 1.00 0.00 O ATOM 1280 NE2 GLN A 82 -2.834 2.574 12.278 1.00 0.00 N ATOM 0 H GLN A 82 -1.585 -0.159 8.472 1.00 0.00 H new ATOM 0 HA GLN A 82 0.018 -0.708 10.780 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.764 0.411 10.345 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.080 0.182 11.942 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.193 1.682 11.352 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.870 1.908 9.752 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.904 1.618 12.627 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.426 3.305 12.672 1.00 0.00 H new ATOM 1289 N GLY A 83 -1.035 -2.694 11.873 1.00 0.00 N ATOM 1290 CA GLY A 83 -1.530 -3.957 12.384 1.00 0.00 C ATOM 1291 C GLY A 83 -0.888 -5.151 11.703 1.00 0.00 C ATOM 1292 O GLY A 83 -1.187 -6.297 12.039 1.00 0.00 O ATOM 0 H GLY A 83 -0.241 -2.308 12.383 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.342 -4.010 13.456 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.610 -4.002 12.247 1.00 0.00 H new ATOM 1296 N TRP A 84 -0.008 -4.884 10.744 1.00 0.00 N ATOM 1297 CA TRP A 84 0.670 -5.950 10.022 1.00 0.00 C ATOM 1298 C TRP A 84 2.173 -5.938 10.305 1.00 0.00 C ATOM 1299 O TRP A 84 2.614 -6.424 11.348 1.00 0.00 O ATOM 1300 CB TRP A 84 0.401 -5.848 8.513 1.00 0.00 C ATOM 1301 CG TRP A 84 -0.984 -6.258 8.112 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -1.870 -5.528 7.372 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -1.640 -7.495 8.420 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -3.032 -6.234 7.198 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -2.917 -7.444 7.832 1.00 0.00 C ATOM 1306 CE3 TRP A 84 -1.269 -8.645 9.130 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -3.829 -8.491 7.941 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 -2.175 -9.684 9.235 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -3.441 -9.602 8.641 1.00 0.00 C ATOM 0 H TRP A 84 0.251 -3.942 10.451 1.00 0.00 H new ATOM 0 HA TRP A 84 0.268 -6.899 10.376 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.572 -4.820 8.192 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.121 -6.471 7.983 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.682 -4.539 6.981 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.850 -5.911 6.681 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.293 -8.718 9.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.808 -8.429 7.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.902 -10.573 9.784 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -4.125 -10.432 8.737 1.00 0.00 H new ATOM 1320 N LYS A 85 2.954 -5.367 9.392 1.00 0.00 N ATOM 1321 CA LYS A 85 4.406 -5.318 9.539 1.00 0.00 C ATOM 1322 C LYS A 85 4.999 -4.389 8.479 1.00 0.00 C ATOM 1323 O LYS A 85 4.323 -4.050 7.510 1.00 0.00 O ATOM 1324 CB LYS A 85 4.985 -6.740 9.394 1.00 0.00 C ATOM 1325 CG LYS A 85 6.500 -6.831 9.526 1.00 0.00 C ATOM 1326 CD LYS A 85 6.970 -6.607 10.954 1.00 0.00 C ATOM 1327 CE LYS A 85 7.160 -7.921 11.701 1.00 0.00 C ATOM 1328 NZ LYS A 85 5.947 -8.305 12.466 1.00 0.00 N ATOM 0 H LYS A 85 2.604 -4.930 8.539 1.00 0.00 H new ATOM 0 HA LYS A 85 4.663 -4.931 10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.530 -7.381 10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.695 -7.138 8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.834 -7.811 9.186 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.964 -6.092 8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.910 -6.055 10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.244 -5.990 11.483 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.406 -8.710 10.990 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.006 -7.832 12.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.174 -9.096 13.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.618 -7.493 13.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.198 -8.596 11.806 1.00 0.00 H new ATOM 1342 N SER A 86 6.257 -3.984 8.665 1.00 0.00 N ATOM 1343 CA SER A 86 6.948 -3.099 7.725 1.00 0.00 C ATOM 1344 C SER A 86 7.111 -3.767 6.353 1.00 0.00 C ATOM 1345 O SER A 86 7.355 -3.107 5.345 1.00 0.00 O ATOM 1346 CB SER A 86 8.317 -2.727 8.295 1.00 0.00 C ATOM 1347 OG SER A 86 8.322 -2.844 9.713 1.00 0.00 O ATOM 0 H SER A 86 6.823 -4.259 9.468 1.00 0.00 H new ATOM 0 HA SER A 86 6.349 -2.199 7.588 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.082 -3.376 7.869 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.570 -1.706 8.009 1.00 0.00 H new ATOM 0 HG SER A 86 9.207 -2.603 10.058 1.00 0.00 H new ATOM 1353 N SER A 87 6.973 -5.085 6.321 1.00 0.00 N ATOM 1354 CA SER A 87 7.090 -5.838 5.081 1.00 0.00 C ATOM 1355 C SER A 87 5.814 -5.697 4.246 1.00 0.00 C ATOM 1356 O SER A 87 5.728 -6.209 3.132 1.00 0.00 O ATOM 1357 CB SER A 87 7.360 -7.311 5.401 1.00 0.00 C ATOM 1358 OG SER A 87 8.041 -7.439 6.641 1.00 0.00 O ATOM 0 H SER A 87 6.779 -5.657 7.143 1.00 0.00 H new ATOM 0 HA SER A 87 7.922 -5.440 4.499 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.418 -7.858 5.440 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.956 -7.758 4.605 1.00 0.00 H new ATOM 0 HG SER A 87 8.203 -8.387 6.829 1.00 0.00 H new ATOM 1364 N TRP A 88 4.831 -4.990 4.795 1.00 0.00 N ATOM 1365 CA TRP A 88 3.565 -4.776 4.114 1.00 0.00 C ATOM 1366 C TRP A 88 3.493 -3.365 3.553 1.00 0.00 C ATOM 1367 O TRP A 88 2.460 -2.945 3.032 1.00 0.00 O ATOM 1368 CB TRP A 88 2.403 -5.020 5.074 1.00 0.00 C ATOM 1369 CG TRP A 88 2.247 -6.456 5.459 1.00 0.00 C ATOM 1370 CD1 TRP A 88 3.034 -7.167 6.318 1.00 0.00 C ATOM 1371 CD2 TRP A 88 1.241 -7.358 4.997 1.00 0.00 C ATOM 1372 NE1 TRP A 88 2.579 -8.455 6.416 1.00 0.00 N ATOM 1373 CE2 TRP A 88 1.478 -8.599 5.618 1.00 0.00 C ATOM 1374 CE3 TRP A 88 0.160 -7.236 4.123 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 0.676 -9.710 5.387 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -0.635 -8.341 3.894 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -0.376 -9.563 4.527 1.00 0.00 C ATOM 0 H TRP A 88 4.891 -4.554 5.715 1.00 0.00 H new ATOM 0 HA TRP A 88 3.494 -5.482 3.286 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.553 -4.424 5.974 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.479 -4.672 4.611 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.891 -6.772 6.844 1.00 0.00 H new ATOM 0 HE1 TRP A 88 2.994 -9.188 6.991 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -0.050 -6.296 3.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 0.877 -10.655 5.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -1.471 -8.262 3.215 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.021 -10.407 4.332 1.00 0.00 H new ATOM 1388 N ASP A 89 4.583 -2.627 3.694 1.00 0.00 N ATOM 1389 CA ASP A 89 4.659 -1.266 3.181 1.00 0.00 C ATOM 1390 C ASP A 89 4.609 -1.308 1.657 1.00 0.00 C ATOM 1391 O ASP A 89 5.592 -1.683 1.006 1.00 0.00 O ATOM 1392 CB ASP A 89 5.950 -0.586 3.658 1.00 0.00 C ATOM 1393 CG ASP A 89 5.944 -0.246 5.140 1.00 0.00 C ATOM 1394 OD1 ASP A 89 6.528 0.792 5.513 1.00 0.00 O ATOM 1395 OD2 ASP A 89 5.360 -1.015 5.943 1.00 0.00 O ATOM 0 H ASP A 89 5.431 -2.948 4.161 1.00 0.00 H new ATOM 0 HA ASP A 89 3.815 -0.687 3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.796 -1.241 3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.103 0.328 3.084 1.00 0.00 H new ATOM 1400 N GLU A 90 3.459 -0.944 1.094 1.00 0.00 N ATOM 1401 CA GLU A 90 3.256 -0.982 -0.355 1.00 0.00 C ATOM 1402 C GLU A 90 2.634 0.311 -0.875 1.00 0.00 C ATOM 1403 O GLU A 90 2.470 1.283 -0.137 1.00 0.00 O ATOM 1404 CB GLU A 90 2.344 -2.158 -0.721 1.00 0.00 C ATOM 1405 CG GLU A 90 3.008 -3.523 -0.617 1.00 0.00 C ATOM 1406 CD GLU A 90 3.797 -3.887 -1.857 1.00 0.00 C ATOM 1407 OE1 GLU A 90 3.237 -3.803 -2.971 1.00 0.00 O ATOM 1408 OE2 GLU A 90 4.978 -4.277 -1.725 1.00 0.00 O ATOM 0 H GLU A 90 2.649 -0.618 1.621 1.00 0.00 H new ATOM 0 HA GLU A 90 4.235 -1.102 -0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.471 -2.142 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.984 -2.019 -1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.672 -3.534 0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.245 -4.281 -0.442 1.00 0.00 H new ATOM 1415 N TRP A 91 2.280 0.299 -2.154 1.00 0.00 N ATOM 1416 CA TRP A 91 1.681 1.454 -2.804 1.00 0.00 C ATOM 1417 C TRP A 91 0.194 1.235 -3.056 1.00 0.00 C ATOM 1418 O TRP A 91 -0.205 0.221 -3.636 1.00 0.00 O ATOM 1419 CB TRP A 91 2.341 1.713 -4.162 1.00 0.00 C ATOM 1420 CG TRP A 91 3.710 2.329 -4.125 1.00 0.00 C ATOM 1421 CD1 TRP A 91 4.901 1.679 -4.293 1.00 0.00 C ATOM 1422 CD2 TRP A 91 4.032 3.718 -3.955 1.00 0.00 C ATOM 1423 NE1 TRP A 91 5.936 2.580 -4.254 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.431 3.831 -4.036 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.279 4.876 -3.740 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 6.085 5.053 -3.920 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 3.938 6.089 -3.617 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.326 6.166 -3.712 1.00 0.00 C ATOM 0 H TRP A 91 2.400 -0.508 -2.766 1.00 0.00 H new ATOM 0 HA TRP A 91 1.828 2.303 -2.136 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.405 0.766 -4.698 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.687 2.364 -4.742 1.00 0.00 H new ATOM 0 HD1 TRP A 91 5.011 0.614 -4.435 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.924 2.352 -4.369 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.202 4.826 -3.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.161 5.118 -3.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.366 6.989 -3.445 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.810 7.127 -3.619 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.618 2.178 -2.616 1.00 0.00 N ATOM 1440 CA VAL A 92 -2.051 2.118 -2.854 1.00 0.00 C ATOM 1441 C VAL A 92 -2.463 3.352 -3.633 1.00 0.00 C ATOM 1442 O VAL A 92 -1.756 4.356 -3.623 1.00 0.00 O ATOM 1443 CB VAL A 92 -2.885 2.029 -1.559 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.715 0.665 -0.912 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.504 3.134 -0.595 1.00 0.00 C ATOM 0 H VAL A 92 -0.311 2.997 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.250 1.205 -3.415 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.936 2.158 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.310 0.618 0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.049 -0.109 -1.603 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.664 0.506 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.105 3.050 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.448 3.045 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.684 4.102 -1.062 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.582 3.280 -4.317 1.00 0.00 N ATOM 1456 CA GLY A 93 -4.034 4.418 -5.086 1.00 0.00 C ATOM 1457 C GLY A 93 -5.393 4.884 -4.624 1.00 0.00 C ATOM 1458 O GLY A 93 -6.052 4.169 -3.874 1.00 0.00 O ATOM 0 H GLY A 93 -4.188 2.460 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.316 5.233 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.077 4.152 -6.142 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.816 6.063 -5.084 1.00 0.00 N ATOM 1463 CA TYR A 94 -7.130 6.653 -4.742 1.00 0.00 C ATOM 1464 C TYR A 94 -8.282 5.683 -4.976 1.00 0.00 C ATOM 1465 O TYR A 94 -9.397 5.870 -4.491 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.375 7.879 -5.609 1.00 0.00 C ATOM 1467 CG TYR A 94 -7.077 9.176 -4.925 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -6.182 10.067 -5.478 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -7.695 9.509 -3.732 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -5.901 11.264 -4.865 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -7.423 10.703 -3.107 1.00 0.00 C ATOM 1472 CZ TYR A 94 -6.525 11.582 -3.675 1.00 0.00 C ATOM 1473 OH TYR A 94 -6.254 12.781 -3.056 1.00 0.00 O ATOM 0 H TYR A 94 -5.259 6.646 -5.709 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.097 6.907 -3.683 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.762 7.804 -6.508 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.416 7.881 -5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.693 9.820 -6.409 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.400 8.822 -3.287 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.197 11.951 -5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.910 10.951 -2.176 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.777 12.848 -2.230 1.00 0.00 H new ATOM 1483 N ASP A 95 -7.975 4.650 -5.709 1.00 0.00 N ATOM 1484 CA ASP A 95 -8.936 3.620 -6.081 1.00 0.00 C ATOM 1485 C ASP A 95 -9.062 2.564 -4.994 1.00 0.00 C ATOM 1486 O ASP A 95 -10.130 1.987 -4.794 1.00 0.00 O ATOM 1487 CB ASP A 95 -8.508 2.957 -7.398 1.00 0.00 C ATOM 1488 CG ASP A 95 -9.317 1.716 -7.727 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -8.844 0.601 -7.433 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -10.425 1.857 -8.288 1.00 0.00 O ATOM 0 H ASP A 95 -7.038 4.487 -6.077 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.908 4.096 -6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.610 3.676 -8.210 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.453 2.691 -7.338 1.00 0.00 H new ATOM 1495 N ARG A 96 -7.983 2.340 -4.263 1.00 0.00 N ATOM 1496 CA ARG A 96 -7.988 1.326 -3.222 1.00 0.00 C ATOM 1497 C ARG A 96 -7.836 1.966 -1.862 1.00 0.00 C ATOM 1498 O ARG A 96 -7.964 1.306 -0.837 1.00 0.00 O ATOM 1499 CB ARG A 96 -6.855 0.326 -3.462 1.00 0.00 C ATOM 1500 CG ARG A 96 -6.930 -0.367 -4.811 1.00 0.00 C ATOM 1501 CD ARG A 96 -7.776 -1.628 -4.739 1.00 0.00 C ATOM 1502 NE ARG A 96 -7.040 -2.745 -4.144 1.00 0.00 N ATOM 1503 CZ ARG A 96 -7.556 -3.960 -3.951 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -8.827 -4.210 -4.241 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -6.803 -4.933 -3.453 1.00 0.00 N ATOM 0 H ARG A 96 -7.101 2.841 -4.369 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.941 0.798 -3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.900 0.846 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.874 -0.427 -2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.352 0.315 -5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.925 -0.620 -5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.673 -1.430 -4.152 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.105 -1.903 -5.741 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.074 -2.584 -3.860 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.420 -3.469 -4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.211 -5.143 -4.089 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.827 -4.753 -3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.200 -5.861 -3.306 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.561 3.254 -1.854 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.385 3.975 -0.617 1.00 0.00 C ATOM 1521 C ILE A 97 -8.625 4.805 -0.291 1.00 0.00 C ATOM 1522 O ILE A 97 -9.311 5.309 -1.185 1.00 0.00 O ATOM 1523 CB ILE A 97 -6.132 4.875 -0.665 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.783 5.353 0.725 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.355 6.064 -1.564 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.578 6.259 0.777 1.00 0.00 C ATOM 0 H ILE A 97 -7.455 3.822 -2.695 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.242 3.240 0.175 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.308 4.285 -1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.640 5.881 1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.601 4.487 1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.457 6.682 -1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.577 5.720 -2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.193 6.652 -1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.393 6.559 1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.707 5.729 0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.762 7.145 0.169 1.00 0.00 H new ATOM 1538 N ARG A 98 -8.917 4.906 0.991 1.00 0.00 N ATOM 1539 CA ARG A 98 -10.060 5.650 1.483 1.00 0.00 C ATOM 1540 C ARG A 98 -9.609 6.570 2.609 1.00 0.00 C ATOM 1541 O ARG A 98 -8.445 6.543 3.005 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.146 4.688 1.984 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.711 3.778 0.902 1.00 0.00 C ATOM 1544 CD ARG A 98 -12.150 4.577 -0.314 1.00 0.00 C ATOM 1545 NE ARG A 98 -12.850 3.760 -1.303 1.00 0.00 N ATOM 1546 CZ ARG A 98 -12.512 3.714 -2.590 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -11.433 4.360 -3.023 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -13.246 3.014 -3.442 1.00 0.00 N ATOM 0 H ARG A 98 -8.362 4.470 1.727 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.480 6.247 0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.732 4.073 2.783 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.960 5.269 2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.958 3.047 0.608 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.559 3.220 1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.802 5.390 0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.276 5.033 -0.779 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.640 3.195 -0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.861 4.893 -2.368 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.178 4.322 -4.010 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.070 2.511 -3.112 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.988 2.978 -4.428 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.530 7.349 3.145 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.225 8.269 4.207 1.00 0.00 C ATOM 1564 C ALA A 99 -10.586 7.615 5.504 1.00 0.00 C ATOM 1565 O ALA A 99 -11.738 7.250 5.731 1.00 0.00 O ATOM 1566 CB ALA A 99 -10.992 9.572 4.047 1.00 0.00 C ATOM 0 H ALA A 99 -11.507 7.356 2.852 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.163 8.513 4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.739 10.246 4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.725 10.037 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.063 9.368 4.062 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.606 7.430 6.335 1.00 0.00 N ATOM 1573 CA TYR A 100 -9.827 6.809 7.606 1.00 0.00 C ATOM 1574 C TYR A 100 -10.612 7.756 8.505 1.00 0.00 C ATOM 1575 O TYR A 100 -10.057 8.663 9.126 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.475 6.456 8.184 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.492 5.753 9.523 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -8.542 4.366 9.583 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -8.445 6.457 10.723 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -8.547 3.700 10.789 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -8.450 5.794 11.939 1.00 0.00 C ATOM 1582 CZ TYR A 100 -8.501 4.414 11.964 1.00 0.00 C ATOM 1583 OH TYR A 100 -8.509 3.748 13.166 1.00 0.00 O ATOM 0 H TYR A 100 -8.640 7.702 6.155 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.418 5.898 7.512 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.950 5.822 7.469 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.894 7.373 8.284 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.578 3.798 8.665 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.404 7.536 10.706 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.587 2.621 10.812 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.414 6.353 12.862 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.471 4.397 13.900 1.00 0.00 H new ATOM 1593 N ASN A 101 -11.918 7.542 8.523 1.00 0.00 N ATOM 1594 CA ASN A 101 -12.840 8.332 9.314 1.00 0.00 C ATOM 1595 C ASN A 101 -14.100 7.513 9.550 1.00 0.00 C ATOM 1596 O ASN A 101 -14.239 6.419 9.003 1.00 0.00 O ATOM 1597 CB ASN A 101 -13.166 9.668 8.628 1.00 0.00 C ATOM 1598 CG ASN A 101 -13.665 9.511 7.200 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -14.529 8.680 6.913 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -13.121 10.309 6.295 1.00 0.00 N ATOM 0 H ASN A 101 -12.370 6.805 7.981 1.00 0.00 H new ATOM 0 HA ASN A 101 -12.378 8.577 10.271 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -13.922 10.193 9.213 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -12.273 10.294 8.626 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.414 10.249 5.320 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.408 10.984 6.573 1.00 0.00 H new ATOM 1607 N GLU A 102 -15.038 8.064 10.300 1.00 0.00 N ATOM 1608 CA GLU A 102 -16.270 7.347 10.655 1.00 0.00 C ATOM 1609 C GLU A 102 -17.175 7.033 9.461 1.00 0.00 C ATOM 1610 O GLU A 102 -18.200 6.371 9.623 1.00 0.00 O ATOM 1611 CB GLU A 102 -17.056 8.123 11.710 1.00 0.00 C ATOM 1612 CG GLU A 102 -16.349 8.210 13.055 1.00 0.00 C ATOM 1613 CD GLU A 102 -15.614 6.932 13.427 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -16.263 5.880 13.578 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -14.375 6.986 13.585 1.00 0.00 O ATOM 0 H GLU A 102 -14.978 9.008 10.681 1.00 0.00 H new ATOM 0 HA GLU A 102 -15.946 6.387 11.057 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.244 9.132 11.342 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -18.027 7.648 11.850 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.639 9.037 13.033 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -17.081 8.439 13.829 1.00 0.00 H new ATOM 1622 N GLU A 103 -16.821 7.500 8.273 1.00 0.00 N ATOM 1623 CA GLU A 103 -17.634 7.225 7.096 1.00 0.00 C ATOM 1624 C GLU A 103 -17.110 5.995 6.359 1.00 0.00 C ATOM 1625 O GLU A 103 -17.859 5.057 6.084 1.00 0.00 O ATOM 1626 CB GLU A 103 -17.661 8.434 6.157 1.00 0.00 C ATOM 1627 CG GLU A 103 -18.770 8.365 5.120 1.00 0.00 C ATOM 1628 CD GLU A 103 -18.256 8.203 3.705 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -18.744 8.922 2.806 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -17.372 7.357 3.479 1.00 0.00 O ATOM 0 H GLU A 103 -15.989 8.063 8.098 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.653 7.026 7.428 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -17.782 9.342 6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -16.701 8.511 5.647 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.429 7.530 5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -19.371 9.272 5.179 1.00 0.00 H new ATOM 1637 N ASN A 104 -15.813 5.982 6.087 1.00 0.00 N ATOM 1638 CA ASN A 104 -15.194 4.873 5.369 1.00 0.00 C ATOM 1639 C ASN A 104 -14.995 3.695 6.302 1.00 0.00 C ATOM 1640 O ASN A 104 -15.134 2.536 5.910 1.00 0.00 O ATOM 1641 CB ASN A 104 -13.853 5.296 4.771 1.00 0.00 C ATOM 1642 CG ASN A 104 -13.996 6.011 3.440 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -13.266 6.958 3.148 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -14.912 5.551 2.609 1.00 0.00 N ATOM 0 H ASN A 104 -15.167 6.726 6.352 1.00 0.00 H new ATOM 0 HA ASN A 104 -15.858 4.578 4.556 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -13.338 5.950 5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -13.226 4.414 4.638 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -15.032 5.982 1.692 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -15.500 4.764 2.883 1.00 0.00 H new ATOM 1651 N ILE A 105 -14.683 4.002 7.547 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.477 2.980 8.554 1.00 0.00 C ATOM 1653 C ILE A 105 -15.792 2.296 8.862 1.00 0.00 C ATOM 1654 O ILE A 105 -15.829 1.117 9.213 1.00 0.00 O ATOM 1655 CB ILE A 105 -13.920 3.587 9.832 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.499 4.074 9.596 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -13.961 2.601 10.989 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -11.948 4.799 10.780 1.00 0.00 C ATOM 0 H ILE A 105 -14.566 4.957 7.886 1.00 0.00 H new ATOM 0 HA ILE A 105 -13.761 2.255 8.166 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.550 4.433 10.105 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.859 3.223 9.363 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.482 4.733 8.728 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -13.554 3.073 11.884 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -14.992 2.300 11.174 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -13.366 1.723 10.740 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.931 5.128 10.565 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.571 5.666 10.998 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.939 4.133 11.643 1.00 0.00 H new ATOM 1670 N ALA A 106 -16.873 3.046 8.701 1.00 0.00 N ATOM 1671 CA ALA A 106 -18.195 2.525 8.950 1.00 0.00 C ATOM 1672 C ALA A 106 -18.431 1.336 8.048 1.00 0.00 C ATOM 1673 O ALA A 106 -19.116 0.384 8.417 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.241 3.595 8.725 1.00 0.00 C ATOM 0 H ALA A 106 -16.852 4.020 8.398 1.00 0.00 H new ATOM 0 HA ALA A 106 -18.273 2.206 9.989 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -20.231 3.182 8.918 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -19.058 4.430 9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.188 3.944 7.694 1.00 0.00 H new ATOM 1680 N MET A 107 -17.830 1.387 6.864 1.00 0.00 N ATOM 1681 CA MET A 107 -17.947 0.288 5.939 1.00 0.00 C ATOM 1682 C MET A 107 -17.051 -0.822 6.430 1.00 0.00 C ATOM 1683 O MET A 107 -17.479 -1.941 6.498 1.00 0.00 O ATOM 1684 CB MET A 107 -17.564 0.666 4.504 1.00 0.00 C ATOM 1685 CG MET A 107 -18.320 -0.127 3.453 1.00 0.00 C ATOM 1686 SD MET A 107 -20.012 -0.520 3.946 1.00 0.00 S ATOM 1687 CE MET A 107 -20.050 -2.282 3.629 1.00 0.00 C ATOM 0 H MET A 107 -17.266 2.170 6.534 1.00 0.00 H new ATOM 0 HA MET A 107 -18.992 -0.021 5.904 1.00 0.00 H new ATOM 0 HB2 MET A 107 -17.753 1.729 4.353 1.00 0.00 H new ATOM 0 HB3 MET A 107 -16.494 0.510 4.368 1.00 0.00 H new ATOM 0 HG2 MET A 107 -18.341 0.441 2.523 1.00 0.00 H new ATOM 0 HG3 MET A 107 -17.783 -1.053 3.249 1.00 0.00 H new ATOM 0 HE1 MET A 107 -21.076 -2.594 3.431 1.00 0.00 H new ATOM 0 HE2 MET A 107 -19.428 -2.509 2.763 1.00 0.00 H new ATOM 0 HE3 MET A 107 -19.669 -2.817 4.499 1.00 0.00 H new ATOM 1697 N LYS A 108 -15.814 -0.479 6.815 1.00 0.00 N ATOM 1698 CA LYS A 108 -14.837 -1.447 7.319 1.00 0.00 C ATOM 1699 C LYS A 108 -15.432 -2.288 8.446 1.00 0.00 C ATOM 1700 O LYS A 108 -15.217 -3.494 8.511 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.582 -0.719 7.813 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.441 -1.654 8.176 1.00 0.00 C ATOM 1703 CD LYS A 108 -12.007 -1.490 9.627 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.985 -0.373 9.794 1.00 0.00 C ATOM 1705 NZ LYS A 108 -10.437 -0.336 11.174 1.00 0.00 N ATOM 0 H LYS A 108 -15.465 0.479 6.785 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.566 -2.115 6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.244 -0.029 7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.840 -0.118 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.749 -2.685 8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.592 -1.462 7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -12.880 -1.278 10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -11.582 -2.427 9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -10.171 -0.514 9.082 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.450 0.585 9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.732 0.425 11.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -11.208 -0.160 11.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.986 -1.247 11.393 1.00 0.00 H new ATOM 1719 N LYS A 109 -16.172 -1.637 9.332 1.00 0.00 N ATOM 1720 CA LYS A 109 -16.834 -2.328 10.447 1.00 0.00 C ATOM 1721 C LYS A 109 -17.847 -3.318 9.901 1.00 0.00 C ATOM 1722 O LYS A 109 -17.883 -4.484 10.300 1.00 0.00 O ATOM 1723 CB LYS A 109 -17.550 -1.334 11.371 1.00 0.00 C ATOM 1724 CG LYS A 109 -16.660 -0.227 11.902 1.00 0.00 C ATOM 1725 CD LYS A 109 -15.510 -0.774 12.733 1.00 0.00 C ATOM 1726 CE LYS A 109 -15.436 -0.088 14.087 1.00 0.00 C ATOM 1727 NZ LYS A 109 -14.330 -0.628 14.924 1.00 0.00 N ATOM 0 H LYS A 109 -16.334 -0.630 9.307 1.00 0.00 H new ATOM 0 HA LYS A 109 -16.070 -2.849 11.024 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -18.383 -0.887 10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -17.974 -1.880 12.214 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -16.262 0.351 11.068 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -17.254 0.457 12.509 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.637 -1.848 12.873 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.571 -0.631 12.198 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.293 0.983 13.944 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.383 -0.216 14.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -14.314 -0.134 15.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.479 -1.645 15.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.423 -0.483 14.436 1.00 0.00 H new ATOM 1741 N ARG A 110 -18.660 -2.838 8.976 1.00 0.00 N ATOM 1742 CA ARG A 110 -19.673 -3.655 8.332 1.00 0.00 C ATOM 1743 C ARG A 110 -19.007 -4.678 7.434 1.00 0.00 C ATOM 1744 O ARG A 110 -19.524 -5.751 7.216 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.596 -2.764 7.494 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.875 -3.446 7.038 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.583 -4.132 8.189 1.00 0.00 C ATOM 1748 NE ARG A 110 -23.947 -4.507 7.836 1.00 0.00 N ATOM 1749 CZ ARG A 110 -24.348 -5.753 7.618 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -23.479 -6.755 7.693 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -25.619 -5.987 7.327 1.00 0.00 N ATOM 0 H ARG A 110 -18.636 -1.872 8.651 1.00 0.00 H new ATOM 0 HA ARG A 110 -20.259 -4.169 9.094 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.857 -1.880 8.077 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -20.050 -2.418 6.617 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -22.540 -2.709 6.588 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -21.642 -4.178 6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -22.025 -5.022 8.481 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -22.600 -3.468 9.053 1.00 0.00 H new ATOM 0 HE ARG A 110 -24.639 -3.762 7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -22.502 -6.567 7.918 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -23.789 -7.712 7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -26.281 -5.213 7.272 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -25.936 -6.942 7.158 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.837 -4.314 6.959 1.00 0.00 N ATOM 1766 CA LEU A 111 -17.032 -5.115 6.061 1.00 0.00 C ATOM 1767 C LEU A 111 -16.397 -6.286 6.767 1.00 0.00 C ATOM 1768 O LEU A 111 -16.422 -7.400 6.262 1.00 0.00 O ATOM 1769 CB LEU A 111 -15.986 -4.208 5.419 1.00 0.00 C ATOM 1770 CG LEU A 111 -16.457 -3.604 4.119 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -15.715 -2.319 3.811 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -16.314 -4.554 2.972 1.00 0.00 C ATOM 0 H LEU A 111 -17.404 -3.421 7.195 1.00 0.00 H new ATOM 0 HA LEU A 111 -17.669 -5.544 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.729 -3.409 6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.076 -4.780 5.240 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.517 -3.383 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.076 -1.907 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.887 -1.599 4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.648 -2.525 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -16.665 -4.076 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -15.266 -4.831 2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -16.906 -5.449 3.164 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.854 -6.054 7.943 1.00 0.00 N ATOM 1785 CA ALA A 112 -15.238 -7.132 8.683 1.00 0.00 C ATOM 1786 C ALA A 112 -16.316 -8.065 9.189 1.00 0.00 C ATOM 1787 O ALA A 112 -16.043 -9.172 9.641 1.00 0.00 O ATOM 1788 CB ALA A 112 -14.375 -6.598 9.813 1.00 0.00 C ATOM 0 H ALA A 112 -15.826 -5.143 8.401 1.00 0.00 H new ATOM 0 HA ALA A 112 -14.574 -7.691 8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.925 -7.432 10.352 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.589 -5.964 9.402 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.991 -6.014 10.497 1.00 0.00 H new ATOM 1794 N ASN A 113 -17.550 -7.596 9.099 1.00 0.00 N ATOM 1795 CA ASN A 113 -18.688 -8.387 9.485 1.00 0.00 C ATOM 1796 C ASN A 113 -19.291 -9.029 8.243 1.00 0.00 C ATOM 1797 O ASN A 113 -19.666 -10.192 8.259 1.00 0.00 O ATOM 1798 CB ASN A 113 -19.721 -7.525 10.203 1.00 0.00 C ATOM 1799 CG ASN A 113 -19.491 -7.476 11.701 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -19.952 -8.346 12.437 1.00 0.00 O ATOM 1801 ND2 ASN A 113 -18.781 -6.458 12.169 1.00 0.00 N ATOM 0 H ASN A 113 -17.781 -6.663 8.758 1.00 0.00 H new ATOM 0 HA ASN A 113 -18.370 -9.168 10.176 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -19.689 -6.513 9.800 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -20.719 -7.916 10.004 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -18.602 -6.379 13.170 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -18.414 -5.755 11.528 1.00 0.00 H new