USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 602 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 16 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 MET CE :methyl 173:sc= -0.185 (180deg=-0.285) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.0367 (180deg=-0.26) USER MOD Single : A 14 CYS SG : rot -116:sc= -3.96! USER MOD Single : A 15 CYS SG : rot 140:sc= -1.1 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -118:sc= -2.12 (180deg=-7.96!) USER MOD Single : A 32 GLN : amide:sc= -0.0324 K(o=-0.032,f=-2.5!) USER MOD Single : A 34 CYS SG : rot 180:sc= -3.64! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -110:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -2.3 K(o=-2.3,f=-3.1!) USER MOD Single : A 73 GLN : amide:sc= -0.895 K(o=-0.9,f=-4!) USER MOD Single : A 75 CYS SG : rot -64:sc= 0.975 USER MOD Single : A 81 THR OG1 : rot -170:sc= -1.21 USER MOD Single : A 88 SER OG : rot 97:sc= 1.21 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.26) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.3!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot -150:sc= 0.569 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 -12.254 -16.639 -6.647 1.00 0.00 N ATOM 75 CA LYS A 6 -11.364 -15.506 -6.415 1.00 0.00 C ATOM 76 C LYS A 6 -9.924 -15.851 -6.784 1.00 0.00 C ATOM 77 O LYS A 6 -9.617 -16.992 -7.128 1.00 0.00 O ATOM 78 CB LYS A 6 -11.436 -15.045 -4.955 1.00 0.00 C ATOM 79 CG LYS A 6 -11.579 -16.174 -3.948 1.00 0.00 C ATOM 80 CD LYS A 6 -11.382 -15.670 -2.528 1.00 0.00 C ATOM 81 CE LYS A 6 -11.592 -16.777 -1.508 1.00 0.00 C ATOM 82 NZ LYS A 6 -12.980 -17.314 -1.546 1.00 0.00 N ATOM 0 HA LYS A 6 -11.697 -14.690 -7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.535 -14.477 -4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.280 -14.365 -4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.566 -16.627 -4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.849 -16.953 -4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.377 -15.263 -2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.079 -14.855 -2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.885 -17.585 -1.699 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.378 -16.396 -0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.154 -17.887 -0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.657 -16.525 -1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.100 -17.906 -2.393 1.00 0.00 H new ATOM 96 N ILE A 7 -9.047 -14.852 -6.718 1.00 0.00 N ATOM 97 CA ILE A 7 -7.639 -15.044 -7.055 1.00 0.00 C ATOM 98 C ILE A 7 -6.716 -14.639 -5.909 1.00 0.00 C ATOM 99 O ILE A 7 -5.530 -14.972 -5.914 1.00 0.00 O ATOM 100 CB ILE A 7 -7.248 -14.232 -8.302 1.00 0.00 C ATOM 101 CG1 ILE A 7 -7.587 -12.752 -8.104 1.00 0.00 C ATOM 102 CG2 ILE A 7 -7.944 -14.786 -9.536 1.00 0.00 C ATOM 103 CD1 ILE A 7 -6.386 -11.838 -8.220 1.00 0.00 C ATOM 0 H ILE A 7 -9.287 -13.902 -6.434 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.518 -16.109 -7.252 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.172 -14.318 -8.450 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.332 -12.456 -8.843 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.041 -12.619 -7.122 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.657 -14.200 -10.409 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.651 -15.825 -9.683 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.024 -14.730 -9.401 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.699 -10.805 -8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.649 -12.108 -7.464 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.944 -11.942 -9.211 1.00 0.00 H new ATOM 115 N PHE A 8 -7.252 -13.916 -4.934 1.00 0.00 N ATOM 116 CA PHE A 8 -6.460 -13.470 -3.796 1.00 0.00 C ATOM 117 C PHE A 8 -6.572 -14.461 -2.641 1.00 0.00 C ATOM 118 O PHE A 8 -5.570 -14.809 -2.016 1.00 0.00 O ATOM 119 CB PHE A 8 -6.913 -12.074 -3.354 1.00 0.00 C ATOM 120 CG PHE A 8 -6.443 -10.955 -4.254 1.00 0.00 C ATOM 121 CD1 PHE A 8 -5.305 -11.094 -5.039 1.00 0.00 C ATOM 122 CD2 PHE A 8 -7.145 -9.760 -4.311 1.00 0.00 C ATOM 123 CE1 PHE A 8 -4.883 -10.064 -5.859 1.00 0.00 C ATOM 124 CE2 PHE A 8 -6.724 -8.729 -5.129 1.00 0.00 C ATOM 125 CZ PHE A 8 -5.592 -8.881 -5.905 1.00 0.00 C ATOM 0 H PHE A 8 -8.230 -13.627 -4.909 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.414 -13.419 -4.098 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.002 -12.055 -3.309 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.549 -11.889 -2.343 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.744 -12.016 -5.008 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.032 -9.634 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.997 -10.185 -6.465 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.281 -7.804 -5.161 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.263 -8.077 -6.546 1.00 0.00 H new ATOM 135 N ARG A 9 -7.794 -14.921 -2.370 1.00 0.00 N ATOM 136 CA ARG A 9 -8.039 -15.887 -1.296 1.00 0.00 C ATOM 137 C ARG A 9 -7.216 -15.555 -0.055 1.00 0.00 C ATOM 138 O ARG A 9 -6.100 -16.046 0.111 1.00 0.00 O ATOM 139 CB ARG A 9 -7.710 -17.303 -1.774 1.00 0.00 C ATOM 140 CG ARG A 9 -7.970 -18.375 -0.728 1.00 0.00 C ATOM 141 CD ARG A 9 -7.618 -19.758 -1.251 1.00 0.00 C ATOM 142 NE ARG A 9 -8.414 -20.120 -2.422 1.00 0.00 N ATOM 143 CZ ARG A 9 -8.066 -21.063 -3.293 1.00 0.00 C ATOM 144 NH1 ARG A 9 -6.940 -21.747 -3.128 1.00 0.00 N ATOM 145 NH2 ARG A 9 -8.847 -21.327 -4.331 1.00 0.00 N ATOM 0 H ARG A 9 -8.632 -14.640 -2.880 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.095 -15.832 -1.030 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.301 -17.524 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.662 -17.343 -2.070 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.384 -18.163 0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.019 -18.352 -0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.559 -19.789 -1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.776 -20.495 -0.463 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.289 -19.620 -2.581 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.336 -21.551 -2.330 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.679 -22.469 -3.800 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.715 -20.807 -4.462 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.580 -22.050 -4.999 1.00 0.00 H new ATOM 159 N GLY A 10 -7.768 -14.709 0.805 1.00 0.00 N ATOM 160 CA GLY A 10 -7.059 -14.316 2.008 1.00 0.00 C ATOM 161 C GLY A 10 -5.940 -13.349 1.697 1.00 0.00 C ATOM 162 O GLY A 10 -4.764 -13.711 1.729 1.00 0.00 O ATOM 0 H GLY A 10 -8.691 -14.289 0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.756 -13.856 2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.652 -15.201 2.498 1.00 0.00 H new ATOM 166 N LEU A 11 -6.314 -12.122 1.372 1.00 0.00 N ATOM 167 CA LEU A 11 -5.347 -11.091 1.025 1.00 0.00 C ATOM 168 C LEU A 11 -5.826 -9.719 1.490 1.00 0.00 C ATOM 169 O LEU A 11 -6.927 -9.292 1.151 1.00 0.00 O ATOM 170 CB LEU A 11 -5.132 -11.086 -0.490 1.00 0.00 C ATOM 171 CG LEU A 11 -3.745 -10.645 -0.954 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.516 -11.047 -2.404 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.585 -9.144 -0.780 1.00 0.00 C ATOM 0 H LEU A 11 -7.286 -11.814 1.341 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.405 -11.309 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.321 -12.090 -0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.874 -10.429 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.996 -11.145 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.523 -10.725 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.593 -12.130 -2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.268 -10.574 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.592 -8.843 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.340 -8.627 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.708 -8.884 0.271 1.00 0.00 H new ATOM 185 N GLU A 12 -4.997 -9.032 2.270 1.00 0.00 N ATOM 186 CA GLU A 12 -5.345 -7.709 2.778 1.00 0.00 C ATOM 187 C GLU A 12 -4.595 -6.619 2.019 1.00 0.00 C ATOM 188 O GLU A 12 -3.366 -6.626 1.961 1.00 0.00 O ATOM 189 CB GLU A 12 -5.034 -7.617 4.275 1.00 0.00 C ATOM 190 CG GLU A 12 -6.274 -7.599 5.154 1.00 0.00 C ATOM 191 CD GLU A 12 -6.048 -8.273 6.493 1.00 0.00 C ATOM 192 OE1 GLU A 12 -5.158 -7.820 7.244 1.00 0.00 O ATOM 193 OE2 GLU A 12 -6.760 -9.255 6.792 1.00 0.00 O ATOM 0 H GLU A 12 -4.080 -9.369 2.564 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.414 -7.558 2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.409 -8.463 4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.453 -6.714 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.584 -6.567 5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.091 -8.098 4.633 1.00 0.00 H new ATOM 200 N ILE A 13 -5.341 -5.683 1.436 1.00 0.00 N ATOM 201 CA ILE A 13 -4.739 -4.590 0.679 1.00 0.00 C ATOM 202 C ILE A 13 -5.292 -3.237 1.117 1.00 0.00 C ATOM 203 O ILE A 13 -6.503 -3.011 1.092 1.00 0.00 O ATOM 204 CB ILE A 13 -4.975 -4.754 -0.835 1.00 0.00 C ATOM 205 CG1 ILE A 13 -4.594 -6.166 -1.289 1.00 0.00 C ATOM 206 CG2 ILE A 13 -4.184 -3.713 -1.613 1.00 0.00 C ATOM 207 CD1 ILE A 13 -5.704 -6.874 -2.035 1.00 0.00 C ATOM 0 H ILE A 13 -6.360 -5.660 1.474 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.669 -4.626 0.883 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.036 -4.603 -1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.714 -6.109 -1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.316 -6.758 -0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.362 -3.843 -2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.501 -2.715 -1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.121 -3.834 -1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.368 -7.869 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.578 -6.961 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.966 -6.303 -2.925 1.00 0.00 H new ATOM 219 N CYS A 14 -4.397 -2.340 1.520 1.00 0.00 N ATOM 220 CA CYS A 14 -4.794 -1.007 1.961 1.00 0.00 C ATOM 221 C CYS A 14 -4.346 0.058 0.965 1.00 0.00 C ATOM 222 O CYS A 14 -3.276 -0.047 0.366 1.00 0.00 O ATOM 223 CB CYS A 14 -4.206 -0.714 3.340 1.00 0.00 C ATOM 224 SG CYS A 14 -2.403 -0.565 3.362 1.00 0.00 S ATOM 0 H CYS A 14 -3.392 -2.512 1.550 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.882 -0.980 2.021 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.640 0.211 3.718 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.502 -1.509 4.025 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.898 -1.515 4.091 1.00 0.00 H new ATOM 230 N CYS A 15 -5.173 1.085 0.797 1.00 0.00 N ATOM 231 CA CYS A 15 -4.865 2.175 -0.122 1.00 0.00 C ATOM 232 C CYS A 15 -4.484 3.438 0.643 1.00 0.00 C ATOM 233 O CYS A 15 -5.309 4.022 1.345 1.00 0.00 O ATOM 234 CB CYS A 15 -6.063 2.455 -1.030 1.00 0.00 C ATOM 235 SG CYS A 15 -6.839 0.969 -1.709 1.00 0.00 S ATOM 0 H CYS A 15 -6.063 1.185 1.286 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.016 1.874 -0.735 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.809 3.016 -0.467 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.740 3.092 -1.854 1.00 0.00 H new ATOM 0 HG CYS A 15 -8.131 1.111 -1.699 1.00 0.00 H new ATOM 241 N TYR A 16 -3.229 3.855 0.502 1.00 0.00 N ATOM 242 CA TYR A 16 -2.741 5.048 1.182 1.00 0.00 C ATOM 243 C TYR A 16 -2.784 6.261 0.257 1.00 0.00 C ATOM 244 O TYR A 16 -2.012 6.353 -0.697 1.00 0.00 O ATOM 245 CB TYR A 16 -1.314 4.827 1.686 1.00 0.00 C ATOM 246 CG TYR A 16 -0.984 5.617 2.933 1.00 0.00 C ATOM 247 CD1 TYR A 16 -0.874 7.001 2.892 1.00 0.00 C ATOM 248 CD2 TYR A 16 -0.783 4.978 4.150 1.00 0.00 C ATOM 249 CE1 TYR A 16 -0.574 7.727 4.030 1.00 0.00 C ATOM 250 CE2 TYR A 16 -0.483 5.697 5.292 1.00 0.00 C ATOM 251 CZ TYR A 16 -0.379 7.070 5.226 1.00 0.00 C ATOM 252 OH TYR A 16 -0.081 7.789 6.361 1.00 0.00 O ATOM 0 H TYR A 16 -2.533 3.384 -0.077 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.394 5.241 2.033 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.169 3.766 1.889 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.613 5.099 0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.025 7.518 1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.862 3.902 4.205 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.493 8.803 3.982 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.331 5.186 6.231 1.00 0.00 H new ATOM 0 HH TYR A 16 0.025 7.176 7.118 1.00 0.00 H new ATOM 262 N GLY A 17 -3.691 7.188 0.548 1.00 0.00 N ATOM 263 CA GLY A 17 -3.816 8.384 -0.265 1.00 0.00 C ATOM 264 C GLY A 17 -4.602 8.141 -1.540 1.00 0.00 C ATOM 265 O GLY A 17 -4.563 7.042 -2.095 1.00 0.00 O ATOM 0 H GLY A 17 -4.341 7.133 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.306 9.165 0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.822 8.752 -0.519 1.00 0.00 H new ATOM 269 N PRO A 18 -5.332 9.156 -2.036 1.00 0.00 N ATOM 270 CA PRO A 18 -6.128 9.032 -3.262 1.00 0.00 C ATOM 271 C PRO A 18 -5.291 8.568 -4.450 1.00 0.00 C ATOM 272 O PRO A 18 -4.127 8.199 -4.296 1.00 0.00 O ATOM 273 CB PRO A 18 -6.650 10.452 -3.500 1.00 0.00 C ATOM 274 CG PRO A 18 -6.612 11.103 -2.160 1.00 0.00 C ATOM 275 CD PRO A 18 -5.438 10.501 -1.442 1.00 0.00 C ATOM 0 HA PRO A 18 -6.917 8.288 -3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.027 10.987 -4.217 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.662 10.438 -3.904 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.500 12.183 -2.254 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.538 10.925 -1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.529 11.083 -1.598 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.605 10.454 -0.366 1.00 0.00 H new ATOM 283 N PHE A 19 -5.893 8.589 -5.635 1.00 0.00 N ATOM 284 CA PHE A 19 -5.205 8.170 -6.851 1.00 0.00 C ATOM 285 C PHE A 19 -5.297 9.248 -7.926 1.00 0.00 C ATOM 286 O PHE A 19 -4.345 9.995 -8.154 1.00 0.00 O ATOM 287 CB PHE A 19 -5.797 6.856 -7.371 1.00 0.00 C ATOM 288 CG PHE A 19 -5.546 5.684 -6.465 1.00 0.00 C ATOM 289 CD1 PHE A 19 -6.048 5.671 -5.172 1.00 0.00 C ATOM 290 CD2 PHE A 19 -4.811 4.596 -6.905 1.00 0.00 C ATOM 291 CE1 PHE A 19 -5.819 4.594 -4.336 1.00 0.00 C ATOM 292 CE2 PHE A 19 -4.579 3.516 -6.073 1.00 0.00 C ATOM 293 CZ PHE A 19 -5.083 3.516 -4.787 1.00 0.00 C ATOM 0 H PHE A 19 -6.856 8.892 -5.779 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.154 8.014 -6.610 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.872 6.979 -7.504 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.377 6.642 -8.354 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.624 6.512 -4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.414 4.591 -7.910 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.215 4.596 -3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.004 2.673 -6.428 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.902 2.674 -4.135 1.00 0.00 H new ATOM 376 N ASP A 25 -12.719 3.796 -2.566 1.00 0.00 N ATOM 377 CA ASP A 25 -13.714 2.758 -2.324 1.00 0.00 C ATOM 378 C ASP A 25 -13.789 1.816 -3.515 1.00 0.00 C ATOM 379 O ASP A 25 -14.171 0.653 -3.384 1.00 0.00 O ATOM 380 CB ASP A 25 -15.085 3.384 -2.061 1.00 0.00 C ATOM 381 CG ASP A 25 -15.950 2.522 -1.162 1.00 0.00 C ATOM 382 OD1 ASP A 25 -16.157 1.336 -1.497 1.00 0.00 O ATOM 383 OD2 ASP A 25 -16.420 3.032 -0.124 1.00 0.00 O ATOM 0 HA ASP A 25 -13.416 2.190 -1.443 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.952 4.364 -1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -15.597 3.543 -3.010 1.00 0.00 H new ATOM 388 N GLN A 26 -13.410 2.329 -4.679 1.00 0.00 N ATOM 389 CA GLN A 26 -13.418 1.544 -5.900 1.00 0.00 C ATOM 390 C GLN A 26 -12.243 0.575 -5.911 1.00 0.00 C ATOM 391 O GLN A 26 -12.326 -0.514 -6.479 1.00 0.00 O ATOM 392 CB GLN A 26 -13.353 2.472 -7.112 1.00 0.00 C ATOM 393 CG GLN A 26 -14.247 2.037 -8.260 1.00 0.00 C ATOM 394 CD GLN A 26 -13.789 2.584 -9.597 1.00 0.00 C ATOM 395 OE1 GLN A 26 -14.060 3.736 -9.935 1.00 0.00 O ATOM 396 NE2 GLN A 26 -13.091 1.758 -10.368 1.00 0.00 N ATOM 0 H GLN A 26 -13.092 3.291 -4.800 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.342 0.967 -5.946 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.636 3.479 -6.804 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -12.323 2.524 -7.464 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -14.269 0.948 -8.306 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.267 2.369 -8.067 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.889 0.811 -10.049 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.757 2.071 -11.280 1.00 0.00 H new ATOM 405 N LEU A 27 -11.150 0.976 -5.268 1.00 0.00 N ATOM 406 CA LEU A 27 -9.960 0.142 -5.192 1.00 0.00 C ATOM 407 C LEU A 27 -10.193 -1.029 -4.244 1.00 0.00 C ATOM 408 O LEU A 27 -9.951 -2.182 -4.598 1.00 0.00 O ATOM 409 CB LEU A 27 -8.755 0.966 -4.725 1.00 0.00 C ATOM 410 CG LEU A 27 -7.605 1.074 -5.730 1.00 0.00 C ATOM 411 CD1 LEU A 27 -7.268 -0.289 -6.316 1.00 0.00 C ATOM 412 CD2 LEU A 27 -7.956 2.060 -6.835 1.00 0.00 C ATOM 0 H LEU A 27 -11.066 1.874 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.750 -0.248 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.097 1.972 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.371 0.527 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.725 1.443 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.448 -0.187 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.971 -0.966 -5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.143 -0.692 -6.826 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.128 2.125 -7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.851 1.719 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.141 3.043 -6.401 1.00 0.00 H new ATOM 424 N GLU A 28 -10.671 -0.728 -3.039 1.00 0.00 N ATOM 425 CA GLU A 28 -10.939 -1.769 -2.055 1.00 0.00 C ATOM 426 C GLU A 28 -12.017 -2.717 -2.562 1.00 0.00 C ATOM 427 O GLU A 28 -12.041 -3.893 -2.203 1.00 0.00 O ATOM 428 CB GLU A 28 -11.349 -1.165 -0.713 1.00 0.00 C ATOM 429 CG GLU A 28 -12.325 -0.006 -0.829 1.00 0.00 C ATOM 430 CD GLU A 28 -13.494 -0.130 0.130 1.00 0.00 C ATOM 431 OE1 GLU A 28 -13.879 -1.273 0.453 1.00 0.00 O ATOM 432 OE2 GLU A 28 -14.023 0.918 0.559 1.00 0.00 O ATOM 0 H GLU A 28 -10.879 0.220 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.019 -2.334 -1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.798 -1.944 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.455 -0.823 -0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.798 0.928 -0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.702 0.046 -1.851 1.00 0.00 H new ATOM 439 N TRP A 29 -12.898 -2.207 -3.416 1.00 0.00 N ATOM 440 CA TRP A 29 -13.957 -3.024 -3.989 1.00 0.00 C ATOM 441 C TRP A 29 -13.350 -4.044 -4.941 1.00 0.00 C ATOM 442 O TRP A 29 -13.608 -5.244 -4.842 1.00 0.00 O ATOM 443 CB TRP A 29 -14.966 -2.138 -4.729 1.00 0.00 C ATOM 444 CG TRP A 29 -15.753 -2.866 -5.778 1.00 0.00 C ATOM 445 CD1 TRP A 29 -16.696 -3.826 -5.568 1.00 0.00 C ATOM 446 CD2 TRP A 29 -15.657 -2.699 -7.196 1.00 0.00 C ATOM 447 NE1 TRP A 29 -17.203 -4.263 -6.768 1.00 0.00 N ATOM 448 CE2 TRP A 29 -16.579 -3.586 -7.784 1.00 0.00 C ATOM 449 CE3 TRP A 29 -14.884 -1.883 -8.028 1.00 0.00 C ATOM 450 CZ2 TRP A 29 -16.749 -3.679 -9.163 1.00 0.00 C ATOM 451 CZ3 TRP A 29 -15.053 -1.977 -9.397 1.00 0.00 C ATOM 452 CH2 TRP A 29 -15.979 -2.868 -9.953 1.00 0.00 C ATOM 0 H TRP A 29 -12.899 -1.235 -3.725 1.00 0.00 H new ATOM 0 HA TRP A 29 -14.481 -3.548 -3.190 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -15.656 -1.706 -4.005 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -14.434 -1.309 -5.196 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -17.001 -4.191 -4.598 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -17.925 -4.974 -6.884 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -14.168 -1.192 -7.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -17.462 -4.366 -9.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -14.460 -1.352 -10.049 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -16.088 -2.917 -11.026 1.00 0.00 H new ATOM 463 N MET A 30 -12.532 -3.547 -5.858 1.00 0.00 N ATOM 464 CA MET A 30 -11.862 -4.392 -6.838 1.00 0.00 C ATOM 465 C MET A 30 -11.110 -5.527 -6.151 1.00 0.00 C ATOM 466 O MET A 30 -11.260 -6.691 -6.518 1.00 0.00 O ATOM 467 CB MET A 30 -10.900 -3.557 -7.684 1.00 0.00 C ATOM 468 CG MET A 30 -11.594 -2.712 -8.740 1.00 0.00 C ATOM 469 SD MET A 30 -10.485 -2.220 -10.074 1.00 0.00 S ATOM 470 CE MET A 30 -9.357 -1.140 -9.195 1.00 0.00 C ATOM 0 H MET A 30 -12.315 -2.554 -5.944 1.00 0.00 H new ATOM 0 HA MET A 30 -12.619 -4.828 -7.489 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.326 -2.903 -7.027 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.188 -4.222 -8.173 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.431 -3.273 -9.156 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.010 -1.820 -8.271 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.420 -0.134 -9.609 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.626 -1.115 -8.139 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.338 -1.513 -9.302 1.00 0.00 H new ATOM 480 N VAL A 31 -10.312 -5.184 -5.140 1.00 0.00 N ATOM 481 CA VAL A 31 -9.562 -6.192 -4.402 1.00 0.00 C ATOM 482 C VAL A 31 -10.523 -7.158 -3.725 1.00 0.00 C ATOM 483 O VAL A 31 -10.348 -8.376 -3.783 1.00 0.00 O ATOM 484 CB VAL A 31 -8.641 -5.563 -3.338 1.00 0.00 C ATOM 485 CG1 VAL A 31 -7.545 -4.738 -3.990 1.00 0.00 C ATOM 486 CG2 VAL A 31 -9.438 -4.710 -2.371 1.00 0.00 C ATOM 0 H VAL A 31 -10.171 -4.226 -4.818 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.936 -6.722 -5.119 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.174 -6.374 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.908 -4.305 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.946 -5.377 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.993 -3.940 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.767 -4.277 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.939 -3.911 -2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.183 -5.328 -1.869 1.00 0.00 H new ATOM 496 N GLN A 32 -11.552 -6.598 -3.098 1.00 0.00 N ATOM 497 CA GLN A 32 -12.568 -7.395 -2.421 1.00 0.00 C ATOM 498 C GLN A 32 -13.203 -8.374 -3.403 1.00 0.00 C ATOM 499 O GLN A 32 -13.541 -9.503 -3.046 1.00 0.00 O ATOM 500 CB GLN A 32 -13.642 -6.481 -1.822 1.00 0.00 C ATOM 501 CG GLN A 32 -13.546 -6.334 -0.313 1.00 0.00 C ATOM 502 CD GLN A 32 -14.374 -5.179 0.214 1.00 0.00 C ATOM 503 OE1 GLN A 32 -14.738 -4.270 -0.532 1.00 0.00 O ATOM 504 NE2 GLN A 32 -14.675 -5.208 1.507 1.00 0.00 N ATOM 0 H GLN A 32 -11.704 -5.591 -3.045 1.00 0.00 H new ATOM 0 HA GLN A 32 -12.096 -7.958 -1.616 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.564 -5.495 -2.280 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.626 -6.875 -2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.876 -7.259 0.160 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.503 -6.187 -0.032 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.352 -5.981 2.089 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.229 -4.457 1.919 1.00 0.00 H new ATOM 513 N LEU A 33 -13.348 -7.927 -4.644 1.00 0.00 N ATOM 514 CA LEU A 33 -13.926 -8.747 -5.701 1.00 0.00 C ATOM 515 C LEU A 33 -12.982 -9.887 -6.077 1.00 0.00 C ATOM 516 O LEU A 33 -13.402 -10.895 -6.644 1.00 0.00 O ATOM 517 CB LEU A 33 -14.224 -7.886 -6.931 1.00 0.00 C ATOM 518 CG LEU A 33 -15.036 -8.578 -8.027 1.00 0.00 C ATOM 519 CD1 LEU A 33 -16.312 -9.173 -7.452 1.00 0.00 C ATOM 520 CD2 LEU A 33 -15.359 -7.600 -9.146 1.00 0.00 C ATOM 0 H LEU A 33 -13.071 -6.993 -4.945 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.857 -9.177 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.763 -6.995 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -13.279 -7.550 -7.358 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.437 -9.389 -8.440 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -16.876 -9.661 -8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.059 -9.905 -6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.917 -8.380 -7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.937 -8.108 -9.918 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.939 -6.769 -8.746 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.432 -7.221 -9.577 1.00 0.00 H new ATOM 532 N CYS A 34 -11.700 -9.714 -5.762 1.00 0.00 N ATOM 533 CA CYS A 34 -10.690 -10.719 -6.072 1.00 0.00 C ATOM 534 C CYS A 34 -10.467 -11.673 -4.898 1.00 0.00 C ATOM 535 O CYS A 34 -9.690 -12.620 -5.005 1.00 0.00 O ATOM 536 CB CYS A 34 -9.370 -10.043 -6.447 1.00 0.00 C ATOM 537 SG CYS A 34 -9.203 -9.680 -8.211 1.00 0.00 S ATOM 0 H CYS A 34 -11.337 -8.885 -5.291 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.054 -11.303 -6.918 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.277 -9.114 -5.885 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.545 -10.685 -6.139 1.00 0.00 H new ATOM 0 HG CYS A 34 -8.056 -9.108 -8.430 1.00 0.00 H new ATOM 543 N GLY A 35 -11.147 -11.422 -3.778 1.00 0.00 N ATOM 544 CA GLY A 35 -10.999 -12.279 -2.614 1.00 0.00 C ATOM 545 C GLY A 35 -10.300 -11.588 -1.458 1.00 0.00 C ATOM 546 O GLY A 35 -10.381 -12.043 -0.316 1.00 0.00 O ATOM 0 H GLY A 35 -11.795 -10.643 -3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.984 -12.615 -2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.435 -13.169 -2.893 1.00 0.00 H new ATOM 550 N ALA A 36 -9.610 -10.492 -1.752 1.00 0.00 N ATOM 551 CA ALA A 36 -8.889 -9.742 -0.732 1.00 0.00 C ATOM 552 C ALA A 36 -9.840 -8.983 0.185 1.00 0.00 C ATOM 553 O ALA A 36 -11.057 -9.010 0.005 1.00 0.00 O ATOM 554 CB ALA A 36 -7.915 -8.778 -1.387 1.00 0.00 C ATOM 0 H ALA A 36 -9.535 -10.103 -2.692 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.337 -10.456 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.380 -8.222 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.201 -9.337 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.463 -8.083 -2.023 1.00 0.00 H new ATOM 560 N SER A 37 -9.264 -8.303 1.169 1.00 0.00 N ATOM 561 CA SER A 37 -10.036 -7.522 2.127 1.00 0.00 C ATOM 562 C SER A 37 -9.487 -6.102 2.223 1.00 0.00 C ATOM 563 O SER A 37 -8.296 -5.874 2.010 1.00 0.00 O ATOM 564 CB SER A 37 -10.006 -8.191 3.503 1.00 0.00 C ATOM 565 OG SER A 37 -11.315 -8.484 3.957 1.00 0.00 O ATOM 0 H SER A 37 -8.256 -8.277 1.325 1.00 0.00 H new ATOM 0 HA SER A 37 -11.069 -7.474 1.781 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.422 -9.110 3.451 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.508 -7.536 4.218 1.00 0.00 H new ATOM 0 HG SER A 37 -11.268 -8.912 4.837 1.00 0.00 H new ATOM 571 N VAL A 38 -10.357 -5.152 2.541 1.00 0.00 N ATOM 572 CA VAL A 38 -9.950 -3.758 2.662 1.00 0.00 C ATOM 573 C VAL A 38 -9.432 -3.454 4.064 1.00 0.00 C ATOM 574 O VAL A 38 -10.149 -3.619 5.051 1.00 0.00 O ATOM 575 CB VAL A 38 -11.114 -2.803 2.328 1.00 0.00 C ATOM 576 CG1 VAL A 38 -12.242 -2.943 3.340 1.00 0.00 C ATOM 577 CG2 VAL A 38 -10.622 -1.366 2.261 1.00 0.00 C ATOM 0 H VAL A 38 -11.347 -5.321 2.719 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.145 -3.598 1.944 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.508 -3.076 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.050 -2.259 3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.616 -3.967 3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.869 -2.704 4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.457 -0.706 2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.197 -1.082 3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.859 -1.278 1.487 1.00 0.00 H new ATOM 587 N VAL A 39 -8.180 -3.011 4.146 1.00 0.00 N ATOM 588 CA VAL A 39 -7.567 -2.687 5.428 1.00 0.00 C ATOM 589 C VAL A 39 -7.724 -1.203 5.743 1.00 0.00 C ATOM 590 O VAL A 39 -7.396 -0.348 4.920 1.00 0.00 O ATOM 591 CB VAL A 39 -6.068 -3.050 5.449 1.00 0.00 C ATOM 592 CG1 VAL A 39 -5.620 -3.405 6.856 1.00 0.00 C ATOM 593 CG2 VAL A 39 -5.766 -4.191 4.487 1.00 0.00 C ATOM 0 H VAL A 39 -7.572 -2.869 3.340 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.082 -3.279 6.185 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.508 -2.175 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.560 -3.658 6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.785 -2.553 7.516 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.194 -4.259 7.216 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.702 -4.425 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.341 -5.071 4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.038 -3.895 3.474 1.00 0.00 H new ATOM 603 N LYS A 40 -8.230 -0.902 6.934 1.00 0.00 N ATOM 604 CA LYS A 40 -8.433 0.481 7.351 1.00 0.00 C ATOM 605 C LYS A 40 -7.120 1.256 7.342 1.00 0.00 C ATOM 606 O LYS A 40 -7.043 2.359 6.803 1.00 0.00 O ATOM 607 CB LYS A 40 -9.057 0.529 8.747 1.00 0.00 C ATOM 608 CG LYS A 40 -10.531 0.160 8.766 1.00 0.00 C ATOM 609 CD LYS A 40 -10.737 -1.305 9.122 1.00 0.00 C ATOM 610 CE LYS A 40 -11.501 -2.043 8.032 1.00 0.00 C ATOM 611 NZ LYS A 40 -12.448 -3.043 8.599 1.00 0.00 N ATOM 0 H LYS A 40 -8.507 -1.597 7.628 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.113 0.949 6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.512 -0.150 9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.937 1.532 9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.054 0.787 9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.970 0.363 7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.769 -1.782 9.276 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.282 -1.378 10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.052 -1.325 7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.795 -2.545 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.949 -3.524 7.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.920 -3.743 9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.137 -2.561 9.210 1.00 0.00 H new ATOM 625 N GLU A 41 -6.094 0.669 7.942 1.00 0.00 N ATOM 626 CA GLU A 41 -4.781 1.302 8.006 1.00 0.00 C ATOM 627 C GLU A 41 -3.669 0.263 7.907 1.00 0.00 C ATOM 628 O GLU A 41 -3.930 -0.934 7.791 1.00 0.00 O ATOM 629 CB GLU A 41 -4.638 2.097 9.304 1.00 0.00 C ATOM 630 CG GLU A 41 -5.256 3.484 9.240 1.00 0.00 C ATOM 631 CD GLU A 41 -4.360 4.551 9.841 1.00 0.00 C ATOM 632 OE1 GLU A 41 -3.855 4.337 10.963 1.00 0.00 O ATOM 633 OE2 GLU A 41 -4.165 5.598 9.190 1.00 0.00 O ATOM 0 H GLU A 41 -6.144 -0.245 8.392 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.693 1.983 7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.104 1.538 10.116 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.580 2.191 9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.468 3.736 8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.210 3.477 9.767 1.00 0.00 H new ATOM 640 N LEU A 42 -2.426 0.733 7.954 1.00 0.00 N ATOM 641 CA LEU A 42 -1.270 -0.152 7.869 1.00 0.00 C ATOM 642 C LEU A 42 -1.191 -1.063 9.090 1.00 0.00 C ATOM 643 O LEU A 42 -0.915 -2.257 8.969 1.00 0.00 O ATOM 644 CB LEU A 42 0.017 0.667 7.744 1.00 0.00 C ATOM 645 CG LEU A 42 -0.011 1.759 6.671 1.00 0.00 C ATOM 646 CD1 LEU A 42 1.239 2.622 6.754 1.00 0.00 C ATOM 647 CD2 LEU A 42 -0.145 1.142 5.287 1.00 0.00 C ATOM 0 H LEU A 42 -2.194 1.722 8.050 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.384 -0.774 6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.229 1.131 8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.842 -0.012 7.528 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.878 2.395 6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.201 3.392 5.984 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.292 3.093 7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.121 2.000 6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.163 1.932 4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.702 0.483 5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.070 0.568 5.232 1.00 0.00 H new ATOM 659 N SER A 43 -1.434 -0.493 10.265 1.00 0.00 N ATOM 660 CA SER A 43 -1.388 -1.254 11.509 1.00 0.00 C ATOM 661 C SER A 43 -2.556 -2.233 11.603 1.00 0.00 C ATOM 662 O SER A 43 -2.501 -3.206 12.355 1.00 0.00 O ATOM 663 CB SER A 43 -1.407 -0.305 12.709 1.00 0.00 C ATOM 664 OG SER A 43 -1.006 -0.973 13.893 1.00 0.00 O ATOM 0 H SER A 43 -1.665 0.494 10.383 1.00 0.00 H new ATOM 0 HA SER A 43 -0.461 -1.828 11.517 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.743 0.538 12.520 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.410 0.102 12.839 1.00 0.00 H new ATOM 0 HG SER A 43 -1.025 -0.345 14.645 1.00 0.00 H new ATOM 670 N SER A 44 -3.612 -1.971 10.838 1.00 0.00 N ATOM 671 CA SER A 44 -4.791 -2.832 10.843 1.00 0.00 C ATOM 672 C SER A 44 -4.478 -4.211 10.261 1.00 0.00 C ATOM 673 O SER A 44 -5.253 -5.152 10.431 1.00 0.00 O ATOM 674 CB SER A 44 -5.925 -2.180 10.051 1.00 0.00 C ATOM 675 OG SER A 44 -6.409 -1.024 10.712 1.00 0.00 O ATOM 0 H SER A 44 -3.676 -1.171 10.208 1.00 0.00 H new ATOM 0 HA SER A 44 -5.102 -2.963 11.879 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.571 -1.912 9.056 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.738 -2.894 9.918 1.00 0.00 H new ATOM 0 HG SER A 44 -7.309 -1.198 11.058 1.00 0.00 H new ATOM 681 N PHE A 45 -3.344 -4.325 9.572 1.00 0.00 N ATOM 682 CA PHE A 45 -2.942 -5.593 8.967 1.00 0.00 C ATOM 683 C PHE A 45 -2.974 -6.727 9.988 1.00 0.00 C ATOM 684 O PHE A 45 -2.093 -6.834 10.840 1.00 0.00 O ATOM 685 CB PHE A 45 -1.541 -5.476 8.365 1.00 0.00 C ATOM 686 CG PHE A 45 -1.517 -4.798 7.024 1.00 0.00 C ATOM 687 CD1 PHE A 45 -2.440 -5.135 6.047 1.00 0.00 C ATOM 688 CD2 PHE A 45 -0.574 -3.823 6.744 1.00 0.00 C ATOM 689 CE1 PHE A 45 -2.421 -4.512 4.813 1.00 0.00 C ATOM 690 CE2 PHE A 45 -0.551 -3.196 5.513 1.00 0.00 C ATOM 691 CZ PHE A 45 -1.475 -3.542 4.547 1.00 0.00 C ATOM 0 H PHE A 45 -2.690 -3.558 9.419 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.654 -5.824 8.175 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.904 -4.922 9.054 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.113 -6.473 8.266 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.182 -5.892 6.252 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.151 -3.550 7.496 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.145 -4.783 4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.189 -2.436 5.307 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.458 -3.054 3.584 1.00 0.00 H new ATOM 762 N VAL A 51 -3.813 -14.553 5.656 1.00 0.00 N ATOM 763 CA VAL A 51 -4.020 -13.356 4.850 1.00 0.00 C ATOM 764 C VAL A 51 -2.696 -12.653 4.566 1.00 0.00 C ATOM 765 O VAL A 51 -1.894 -12.430 5.474 1.00 0.00 O ATOM 766 CB VAL A 51 -4.976 -12.365 5.544 1.00 0.00 C ATOM 767 CG1 VAL A 51 -5.325 -11.217 4.611 1.00 0.00 C ATOM 768 CG2 VAL A 51 -6.234 -13.078 6.020 1.00 0.00 C ATOM 0 HA VAL A 51 -4.468 -13.681 3.911 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.470 -11.952 6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.000 -10.528 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.415 -10.689 4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.811 -11.609 3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.896 -12.362 6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.745 -13.522 5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.963 -13.861 6.728 1.00 0.00 H new ATOM 778 N HIS A 52 -2.471 -12.307 3.302 1.00 0.00 N ATOM 779 CA HIS A 52 -1.240 -11.631 2.905 1.00 0.00 C ATOM 780 C HIS A 52 -1.430 -10.114 2.896 1.00 0.00 C ATOM 781 O HIS A 52 -2.363 -9.603 2.277 1.00 0.00 O ATOM 782 CB HIS A 52 -0.796 -12.108 1.521 1.00 0.00 C ATOM 783 CG HIS A 52 -0.493 -13.573 1.459 1.00 0.00 C ATOM 784 ND1 HIS A 52 -1.393 -14.509 0.993 1.00 0.00 N ATOM 785 CD2 HIS A 52 0.618 -14.264 1.806 1.00 0.00 C ATOM 786 CE1 HIS A 52 -0.848 -15.710 1.057 1.00 0.00 C ATOM 787 NE2 HIS A 52 0.372 -15.590 1.547 1.00 0.00 N ATOM 0 H HIS A 52 -3.123 -12.483 2.537 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.468 -11.879 3.633 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.578 -11.877 0.798 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.091 -11.549 1.221 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.529 -13.849 2.211 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.320 -16.634 0.759 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.025 -16.357 1.707 1.00 0.00 H new ATOM 796 N PRO A 53 -0.547 -9.369 3.586 1.00 0.00 N ATOM 797 CA PRO A 53 -0.629 -7.909 3.652 1.00 0.00 C ATOM 798 C PRO A 53 -0.054 -7.232 2.412 1.00 0.00 C ATOM 799 O PRO A 53 1.051 -7.551 1.974 1.00 0.00 O ATOM 800 CB PRO A 53 0.215 -7.578 4.881 1.00 0.00 C ATOM 801 CG PRO A 53 1.249 -8.649 4.922 1.00 0.00 C ATOM 802 CD PRO A 53 0.599 -9.890 4.361 1.00 0.00 C ATOM 0 HA PRO A 53 -1.659 -7.557 3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.669 -6.591 4.797 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.389 -7.574 5.788 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.123 -8.368 4.334 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.593 -8.818 5.942 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.287 -10.451 3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.273 -10.564 5.153 1.00 0.00 H new ATOM 810 N ILE A 54 -0.813 -6.293 1.854 1.00 0.00 N ATOM 811 CA ILE A 54 -0.387 -5.560 0.665 1.00 0.00 C ATOM 812 C ILE A 54 -0.846 -4.105 0.737 1.00 0.00 C ATOM 813 O ILE A 54 -1.741 -3.767 1.510 1.00 0.00 O ATOM 814 CB ILE A 54 -0.947 -6.195 -0.624 1.00 0.00 C ATOM 815 CG1 ILE A 54 -0.798 -7.720 -0.584 1.00 0.00 C ATOM 816 CG2 ILE A 54 -0.250 -5.618 -1.849 1.00 0.00 C ATOM 817 CD1 ILE A 54 0.625 -8.204 -0.756 1.00 0.00 C ATOM 0 H ILE A 54 -1.730 -6.021 2.208 1.00 0.00 H new ATOM 0 HA ILE A 54 0.702 -5.604 0.636 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.009 -5.959 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.183 -8.088 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.417 -8.156 -1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.658 -6.077 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.412 -4.541 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.819 -5.822 -1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.646 -9.293 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.009 -7.869 -1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.246 -7.799 0.043 1.00 0.00 H new ATOM 829 N VAL A 55 -0.229 -3.246 -0.069 1.00 0.00 N ATOM 830 CA VAL A 55 -0.584 -1.830 -0.088 1.00 0.00 C ATOM 831 C VAL A 55 -0.630 -1.292 -1.515 1.00 0.00 C ATOM 832 O VAL A 55 0.073 -1.785 -2.396 1.00 0.00 O ATOM 833 CB VAL A 55 0.411 -0.988 0.735 1.00 0.00 C ATOM 834 CG1 VAL A 55 -0.087 0.442 0.873 1.00 0.00 C ATOM 835 CG2 VAL A 55 0.642 -1.615 2.103 1.00 0.00 C ATOM 0 H VAL A 55 0.517 -3.504 -0.715 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.574 -1.748 0.360 1.00 0.00 H new ATOM 0 HB VAL A 55 1.364 -0.968 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.628 1.022 1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.193 0.887 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.053 0.444 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.347 -1.006 2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.304 -1.670 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.048 -2.619 1.979 1.00 0.00 H new ATOM 845 N VAL A 56 -1.465 -0.279 -1.737 1.00 0.00 N ATOM 846 CA VAL A 56 -1.599 0.319 -3.062 1.00 0.00 C ATOM 847 C VAL A 56 -1.386 1.831 -3.013 1.00 0.00 C ATOM 848 O VAL A 56 -1.675 2.476 -2.005 1.00 0.00 O ATOM 849 CB VAL A 56 -2.985 0.029 -3.674 1.00 0.00 C ATOM 850 CG1 VAL A 56 -2.987 0.307 -5.170 1.00 0.00 C ATOM 851 CG2 VAL A 56 -3.409 -1.405 -3.392 1.00 0.00 C ATOM 0 H VAL A 56 -2.056 0.143 -1.020 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.830 -0.133 -3.688 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.708 0.697 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.975 0.095 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.739 1.354 -5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.249 -0.328 -5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.389 -1.588 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.682 -2.091 -3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.460 -1.564 -2.315 1.00 0.00 H new ATOM 861 N VAL A 57 -0.877 2.390 -4.109 1.00 0.00 N ATOM 862 CA VAL A 57 -0.623 3.825 -4.190 1.00 0.00 C ATOM 863 C VAL A 57 -0.895 4.358 -5.594 1.00 0.00 C ATOM 864 O VAL A 57 -1.317 3.615 -6.479 1.00 0.00 O ATOM 865 CB VAL A 57 0.829 4.158 -3.805 1.00 0.00 C ATOM 866 CG1 VAL A 57 1.007 4.101 -2.296 1.00 0.00 C ATOM 867 CG2 VAL A 57 1.797 3.214 -4.504 1.00 0.00 C ATOM 0 H VAL A 57 -0.633 1.871 -4.952 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.302 4.304 -3.485 1.00 0.00 H new ATOM 0 HB VAL A 57 1.050 5.173 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.040 4.339 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.341 4.823 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.767 3.099 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.819 3.465 -4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.580 2.187 -4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.686 3.313 -5.584 1.00 0.00 H new ATOM 877 N GLN A 58 -0.647 5.652 -5.790 1.00 0.00 N ATOM 878 CA GLN A 58 -0.857 6.291 -7.086 1.00 0.00 C ATOM 879 C GLN A 58 -0.539 7.784 -7.012 1.00 0.00 C ATOM 880 O GLN A 58 -1.437 8.624 -7.076 1.00 0.00 O ATOM 881 CB GLN A 58 -2.299 6.087 -7.561 1.00 0.00 C ATOM 882 CG GLN A 58 -2.607 6.762 -8.889 1.00 0.00 C ATOM 883 CD GLN A 58 -2.646 5.783 -10.045 1.00 0.00 C ATOM 884 OE1 GLN A 58 -1.964 4.759 -10.030 1.00 0.00 O ATOM 885 NE2 GLN A 58 -3.447 6.095 -11.058 1.00 0.00 N ATOM 0 H GLN A 58 -0.299 6.279 -5.065 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.181 5.825 -7.804 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.494 5.019 -7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.980 6.471 -6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.567 7.273 -8.818 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.854 7.524 -9.088 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.995 6.955 -11.029 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.514 5.475 -11.865 1.00 0.00 H new ATOM 894 N PRO A 59 0.752 8.135 -6.880 1.00 0.00 N ATOM 895 CA PRO A 59 1.186 9.535 -6.799 1.00 0.00 C ATOM 896 C PRO A 59 0.657 10.371 -7.958 1.00 0.00 C ATOM 897 O PRO A 59 1.283 10.453 -9.016 1.00 0.00 O ATOM 898 CB PRO A 59 2.713 9.440 -6.863 1.00 0.00 C ATOM 899 CG PRO A 59 3.030 8.074 -6.362 1.00 0.00 C ATOM 900 CD PRO A 59 1.888 7.198 -6.796 1.00 0.00 C ATOM 0 HA PRO A 59 0.814 10.025 -5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.076 9.582 -7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.183 10.206 -6.247 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.974 7.717 -6.774 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.134 8.071 -5.277 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.089 6.722 -7.756 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.698 6.400 -6.078 1.00 0.00 H new ATOM 908 N ASP A 60 -0.501 10.992 -7.753 1.00 0.00 N ATOM 909 CA ASP A 60 -1.115 11.823 -8.783 1.00 0.00 C ATOM 910 C ASP A 60 -2.158 12.757 -8.180 1.00 0.00 C ATOM 911 O ASP A 60 -2.214 13.941 -8.513 1.00 0.00 O ATOM 912 CB ASP A 60 -1.758 10.949 -9.860 1.00 0.00 C ATOM 913 CG ASP A 60 -0.767 10.520 -10.925 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.099 11.401 -11.503 1.00 0.00 O ATOM 915 OD2 ASP A 60 -0.662 9.302 -11.180 1.00 0.00 O ATOM 0 H ASP A 60 -1.032 10.935 -6.884 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.331 12.429 -9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.192 10.064 -9.394 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.576 11.497 -10.328 1.00 0.00 H new ATOM 1054 N ALA A 70 8.681 7.714 1.580 1.00 0.00 N ATOM 1055 CA ALA A 70 8.724 6.953 2.824 1.00 0.00 C ATOM 1056 C ALA A 70 7.475 6.093 2.989 1.00 0.00 C ATOM 1057 O ALA A 70 6.995 5.887 4.104 1.00 0.00 O ATOM 1058 CB ALA A 70 8.879 7.893 4.010 1.00 0.00 C ATOM 0 HA ALA A 70 9.586 6.288 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.910 7.313 4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.804 8.460 3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.034 8.581 4.042 1.00 0.00 H new ATOM 1064 N ILE A 71 6.956 5.588 1.874 1.00 0.00 N ATOM 1065 CA ILE A 71 5.765 4.746 1.900 1.00 0.00 C ATOM 1066 C ILE A 71 6.098 3.343 2.398 1.00 0.00 C ATOM 1067 O ILE A 71 5.553 2.886 3.402 1.00 0.00 O ATOM 1068 CB ILE A 71 5.117 4.650 0.507 1.00 0.00 C ATOM 1069 CG1 ILE A 71 4.905 6.048 -0.075 1.00 0.00 C ATOM 1070 CG2 ILE A 71 3.796 3.898 0.586 1.00 0.00 C ATOM 1071 CD1 ILE A 71 3.950 6.901 0.735 1.00 0.00 C ATOM 0 H ILE A 71 7.341 5.747 0.943 1.00 0.00 H new ATOM 0 HA ILE A 71 5.058 5.212 2.587 1.00 0.00 H new ATOM 0 HB ILE A 71 5.787 4.098 -0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.867 6.556 -0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.524 5.956 -1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.351 3.839 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.972 2.891 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.117 4.424 1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.847 7.879 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.975 6.415 0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.340 7.024 1.745 1.00 0.00 H new ATOM 1083 N GLY A 72 6.996 2.668 1.689 1.00 0.00 N ATOM 1084 CA GLY A 72 7.387 1.325 2.076 1.00 0.00 C ATOM 1085 C GLY A 72 8.124 1.293 3.402 1.00 0.00 C ATOM 1086 O GLY A 72 8.172 0.258 4.067 1.00 0.00 O ATOM 0 H GLY A 72 7.460 3.026 0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.499 0.697 2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.023 0.898 1.300 1.00 0.00 H new ATOM 1090 N GLN A 73 8.698 2.429 3.787 1.00 0.00 N ATOM 1091 CA GLN A 73 9.435 2.526 5.042 1.00 0.00 C ATOM 1092 C GLN A 73 8.497 2.842 6.206 1.00 0.00 C ATOM 1093 O GLN A 73 8.837 2.612 7.367 1.00 0.00 O ATOM 1094 CB GLN A 73 10.517 3.604 4.941 1.00 0.00 C ATOM 1095 CG GLN A 73 11.525 3.563 6.077 1.00 0.00 C ATOM 1096 CD GLN A 73 12.371 2.305 6.060 1.00 0.00 C ATOM 1097 OE1 GLN A 73 12.142 1.400 5.257 1.00 0.00 O ATOM 1098 NE2 GLN A 73 13.354 2.241 6.950 1.00 0.00 N ATOM 0 H GLN A 73 8.667 3.294 3.248 1.00 0.00 H new ATOM 0 HA GLN A 73 9.906 1.561 5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.045 3.490 3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.041 4.584 4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.176 4.435 6.012 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.998 3.629 7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.508 3.015 7.597 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.956 1.418 6.987 1.00 0.00 H new ATOM 1107 N MET A 74 7.318 3.368 5.888 1.00 0.00 N ATOM 1108 CA MET A 74 6.336 3.715 6.910 1.00 0.00 C ATOM 1109 C MET A 74 5.351 2.571 7.130 1.00 0.00 C ATOM 1110 O MET A 74 4.816 2.403 8.226 1.00 0.00 O ATOM 1111 CB MET A 74 5.581 4.983 6.508 1.00 0.00 C ATOM 1112 CG MET A 74 4.699 5.540 7.612 1.00 0.00 C ATOM 1113 SD MET A 74 4.026 7.163 7.209 1.00 0.00 S ATOM 1114 CE MET A 74 2.948 6.753 5.839 1.00 0.00 C ATOM 0 H MET A 74 7.020 3.563 4.932 1.00 0.00 H new ATOM 0 HA MET A 74 6.868 3.896 7.844 1.00 0.00 H new ATOM 0 HB2 MET A 74 6.301 5.745 6.210 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.964 4.768 5.635 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.879 4.847 7.801 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.277 5.609 8.534 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.365 7.631 5.559 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.548 6.429 4.988 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.274 5.949 6.134 1.00 0.00 H new ATOM 1124 N CYS A 75 5.117 1.786 6.084 1.00 0.00 N ATOM 1125 CA CYS A 75 4.196 0.658 6.167 1.00 0.00 C ATOM 1126 C CYS A 75 4.956 -0.664 6.165 1.00 0.00 C ATOM 1127 O CYS A 75 6.045 -0.765 5.600 1.00 0.00 O ATOM 1128 CB CYS A 75 3.202 0.694 5.003 1.00 0.00 C ATOM 1129 SG CYS A 75 3.955 0.441 3.378 1.00 0.00 S ATOM 0 H CYS A 75 5.552 1.910 5.170 1.00 0.00 H new ATOM 0 HA CYS A 75 3.646 0.738 7.104 1.00 0.00 H new ATOM 0 HB2 CYS A 75 2.444 -0.073 5.163 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.689 1.656 5.008 1.00 0.00 H new ATOM 0 HG CYS A 75 4.771 1.419 3.121 1.00 0.00 H new ATOM 1135 N GLU A 76 4.372 -1.676 6.800 1.00 0.00 N ATOM 1136 CA GLU A 76 4.994 -2.993 6.870 1.00 0.00 C ATOM 1137 C GLU A 76 4.433 -3.920 5.796 1.00 0.00 C ATOM 1138 O GLU A 76 4.366 -5.135 5.984 1.00 0.00 O ATOM 1139 CB GLU A 76 4.779 -3.609 8.254 1.00 0.00 C ATOM 1140 CG GLU A 76 5.666 -4.811 8.530 1.00 0.00 C ATOM 1141 CD GLU A 76 4.910 -5.959 9.170 1.00 0.00 C ATOM 1142 OE1 GLU A 76 3.921 -5.694 9.885 1.00 0.00 O ATOM 1143 OE2 GLU A 76 5.307 -7.125 8.955 1.00 0.00 O ATOM 0 H GLU A 76 3.471 -1.609 7.272 1.00 0.00 H new ATOM 0 HA GLU A 76 6.063 -2.871 6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.965 -2.849 9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.735 -3.908 8.351 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.112 -5.151 7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.485 -4.511 9.184 1.00 0.00 H new ATOM 1150 N ALA A 77 4.029 -3.338 4.671 1.00 0.00 N ATOM 1151 CA ALA A 77 3.474 -4.111 3.567 1.00 0.00 C ATOM 1152 C ALA A 77 3.974 -3.587 2.224 1.00 0.00 C ATOM 1153 O ALA A 77 4.417 -2.444 2.119 1.00 0.00 O ATOM 1154 CB ALA A 77 1.953 -4.078 3.613 1.00 0.00 C ATOM 0 H ALA A 77 4.076 -2.333 4.501 1.00 0.00 H new ATOM 0 HA ALA A 77 3.809 -5.143 3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.551 -4.659 2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.608 -4.504 4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.609 -3.047 3.534 1.00 0.00 H new ATOM 1160 N PRO A 78 3.910 -4.421 1.173 1.00 0.00 N ATOM 1161 CA PRO A 78 4.357 -4.040 -0.170 1.00 0.00 C ATOM 1162 C PRO A 78 3.374 -3.102 -0.861 1.00 0.00 C ATOM 1163 O PRO A 78 2.198 -3.427 -1.022 1.00 0.00 O ATOM 1164 CB PRO A 78 4.421 -5.376 -0.905 1.00 0.00 C ATOM 1165 CG PRO A 78 3.385 -6.212 -0.241 1.00 0.00 C ATOM 1166 CD PRO A 78 3.395 -5.804 1.209 1.00 0.00 C ATOM 0 HA PRO A 78 5.303 -3.498 -0.151 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.213 -5.255 -1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.409 -5.828 -0.823 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.404 -6.046 -0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.610 -7.273 -0.350 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.397 -5.850 1.646 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.034 -6.455 1.805 1.00 0.00 H new ATOM 1174 N VAL A 79 3.863 -1.937 -1.268 1.00 0.00 N ATOM 1175 CA VAL A 79 3.030 -0.952 -1.946 1.00 0.00 C ATOM 1176 C VAL A 79 3.089 -1.142 -3.457 1.00 0.00 C ATOM 1177 O VAL A 79 4.150 -1.430 -4.008 1.00 0.00 O ATOM 1178 CB VAL A 79 3.467 0.485 -1.602 1.00 0.00 C ATOM 1179 CG1 VAL A 79 2.397 1.478 -2.019 1.00 0.00 C ATOM 1180 CG2 VAL A 79 3.776 0.617 -0.117 1.00 0.00 C ATOM 0 H VAL A 79 4.834 -1.651 -1.140 1.00 0.00 H new ATOM 0 HA VAL A 79 2.008 -1.103 -1.600 1.00 0.00 H new ATOM 0 HB VAL A 79 4.379 0.708 -2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.721 2.488 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.232 1.405 -3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.469 1.254 -1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.082 1.640 0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.886 0.373 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.581 -0.067 0.149 1.00 0.00 H new ATOM 1190 N VAL A 80 1.949 -0.985 -4.127 1.00 0.00 N ATOM 1191 CA VAL A 80 1.897 -1.150 -5.576 1.00 0.00 C ATOM 1192 C VAL A 80 0.787 -0.312 -6.197 1.00 0.00 C ATOM 1193 O VAL A 80 -0.345 -0.314 -5.719 1.00 0.00 O ATOM 1194 CB VAL A 80 1.675 -2.623 -5.966 1.00 0.00 C ATOM 1195 CG1 VAL A 80 2.939 -3.435 -5.744 1.00 0.00 C ATOM 1196 CG2 VAL A 80 0.511 -3.212 -5.185 1.00 0.00 C ATOM 0 H VAL A 80 1.057 -0.746 -3.694 1.00 0.00 H new ATOM 0 HA VAL A 80 2.860 -0.812 -5.958 1.00 0.00 H new ATOM 0 HB VAL A 80 1.430 -2.663 -7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.759 -4.472 -6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.745 -3.028 -6.354 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.221 -3.389 -4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.369 -4.253 -5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.724 -3.157 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.396 -2.648 -5.403 1.00 0.00 H new ATOM 1206 N THR A 81 1.113 0.396 -7.275 1.00 0.00 N ATOM 1207 CA THR A 81 0.134 1.230 -7.967 1.00 0.00 C ATOM 1208 C THR A 81 -1.163 0.460 -8.204 1.00 0.00 C ATOM 1209 O THR A 81 -1.174 -0.772 -8.187 1.00 0.00 O ATOM 1210 CB THR A 81 0.698 1.721 -9.302 1.00 0.00 C ATOM 1211 OG1 THR A 81 0.686 0.681 -10.265 1.00 0.00 O ATOM 1212 CG2 THR A 81 2.118 2.235 -9.202 1.00 0.00 C ATOM 0 H THR A 81 2.046 0.409 -7.688 1.00 0.00 H new ATOM 0 HA THR A 81 -0.082 2.091 -7.335 1.00 0.00 H new ATOM 0 HB THR A 81 0.051 2.546 -9.601 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.190 0.962 -11.057 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.455 2.567 -10.184 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.154 3.072 -8.504 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.769 1.437 -8.845 1.00 0.00 H new ATOM 1220 N ARG A 82 -2.255 1.187 -8.423 1.00 0.00 N ATOM 1221 CA ARG A 82 -3.553 0.560 -8.659 1.00 0.00 C ATOM 1222 C ARG A 82 -3.487 -0.431 -9.820 1.00 0.00 C ATOM 1223 O ARG A 82 -4.327 -1.325 -9.927 1.00 0.00 O ATOM 1224 CB ARG A 82 -4.632 1.613 -8.932 1.00 0.00 C ATOM 1225 CG ARG A 82 -4.145 2.807 -9.738 1.00 0.00 C ATOM 1226 CD ARG A 82 -5.305 3.658 -10.232 1.00 0.00 C ATOM 1227 NE ARG A 82 -5.223 3.915 -11.667 1.00 0.00 N ATOM 1228 CZ ARG A 82 -6.087 4.675 -12.335 1.00 0.00 C ATOM 1229 NH1 ARG A 82 -7.100 5.254 -11.702 1.00 0.00 N ATOM 1230 NH2 ARG A 82 -5.938 4.860 -13.640 1.00 0.00 N ATOM 0 H ARG A 82 -2.268 2.207 -8.442 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.818 0.014 -7.753 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.458 1.142 -9.464 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.027 1.968 -7.980 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.482 3.416 -9.123 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.560 2.458 -10.589 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.245 3.155 -10.007 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.314 4.606 -9.694 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.458 3.487 -12.188 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.219 5.117 -10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.759 5.836 -12.219 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.161 4.419 -14.132 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.601 5.443 -14.151 1.00 0.00 H new ATOM 1244 N GLU A 83 -2.484 -0.275 -10.683 1.00 0.00 N ATOM 1245 CA GLU A 83 -2.314 -1.166 -11.829 1.00 0.00 C ATOM 1246 C GLU A 83 -2.437 -2.625 -11.401 1.00 0.00 C ATOM 1247 O GLU A 83 -3.063 -3.433 -12.085 1.00 0.00 O ATOM 1248 CB GLU A 83 -0.958 -0.924 -12.495 1.00 0.00 C ATOM 1249 CG GLU A 83 -1.018 -0.919 -14.013 1.00 0.00 C ATOM 1250 CD GLU A 83 0.100 -0.108 -14.638 1.00 0.00 C ATOM 1251 OE1 GLU A 83 0.180 1.106 -14.358 1.00 0.00 O ATOM 1252 OE2 GLU A 83 0.895 -0.687 -15.409 1.00 0.00 O ATOM 0 H GLU A 83 -1.779 0.458 -10.610 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.103 -0.950 -12.549 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.560 0.031 -12.152 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.260 -1.696 -12.170 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.966 -1.945 -14.378 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.978 -0.515 -14.334 1.00 0.00 H new ATOM 1259 N TRP A 84 -1.848 -2.949 -10.254 1.00 0.00 N ATOM 1260 CA TRP A 84 -1.906 -4.304 -9.719 1.00 0.00 C ATOM 1261 C TRP A 84 -3.352 -4.731 -9.537 1.00 0.00 C ATOM 1262 O TRP A 84 -3.800 -5.737 -10.086 1.00 0.00 O ATOM 1263 CB TRP A 84 -1.186 -4.367 -8.373 1.00 0.00 C ATOM 1264 CG TRP A 84 -1.171 -5.736 -7.766 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -0.399 -6.796 -8.146 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -1.969 -6.193 -6.668 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -0.669 -7.884 -7.352 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -1.628 -7.539 -6.437 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -2.938 -5.593 -5.858 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -2.224 -8.294 -5.427 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.527 -6.344 -4.858 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -3.170 -7.681 -4.650 1.00 0.00 C ATOM 0 H TRP A 84 -1.325 -2.291 -9.677 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.417 -4.978 -10.422 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.159 -4.025 -8.503 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.667 -3.676 -7.680 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.319 -6.781 -8.953 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -0.227 -8.800 -7.431 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.221 -4.562 -6.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -1.949 -9.326 -5.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.276 -5.891 -4.226 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.650 -8.240 -3.861 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.071 -3.942 -8.754 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.478 -4.199 -8.473 1.00 0.00 C ATOM 1285 C VAL A 85 -6.282 -4.353 -9.761 1.00 0.00 C ATOM 1286 O VAL A 85 -7.113 -5.252 -9.882 1.00 0.00 O ATOM 1287 CB VAL A 85 -6.088 -3.065 -7.623 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.545 -3.351 -7.292 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.276 -2.860 -6.353 1.00 0.00 C ATOM 0 H VAL A 85 -3.700 -3.109 -8.297 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.528 -5.133 -7.913 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.055 -2.146 -8.208 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.949 -2.535 -6.692 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.117 -3.440 -8.215 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.614 -4.283 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.719 -2.057 -5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.275 -3.780 -5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.251 -2.596 -6.615 1.00 0.00 H new ATOM 1299 N LEU A 86 -6.029 -3.470 -10.718 1.00 0.00 N ATOM 1300 CA LEU A 86 -6.731 -3.509 -11.997 1.00 0.00 C ATOM 1301 C LEU A 86 -6.313 -4.729 -12.812 1.00 0.00 C ATOM 1302 O LEU A 86 -7.154 -5.508 -13.261 1.00 0.00 O ATOM 1303 CB LEU A 86 -6.460 -2.228 -12.791 1.00 0.00 C ATOM 1304 CG LEU A 86 -7.710 -1.462 -13.231 1.00 0.00 C ATOM 1305 CD1 LEU A 86 -7.892 -0.205 -12.393 1.00 0.00 C ATOM 1306 CD2 LEU A 86 -7.630 -1.109 -14.709 1.00 0.00 C ATOM 0 H LEU A 86 -5.344 -2.719 -10.635 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.800 -3.582 -11.795 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.842 -1.566 -12.184 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.879 -2.484 -13.677 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.576 -2.106 -13.077 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.786 0.325 -12.722 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.998 -0.480 -11.344 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.022 0.441 -12.513 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.528 -0.565 -15.002 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.754 -0.486 -14.887 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.551 -2.023 -15.298 1.00 0.00 H new ATOM 1318 N ASP A 87 -5.007 -4.888 -13.000 1.00 0.00 N ATOM 1319 CA ASP A 87 -4.474 -6.012 -13.762 1.00 0.00 C ATOM 1320 C ASP A 87 -4.912 -7.341 -13.155 1.00 0.00 C ATOM 1321 O ASP A 87 -5.060 -8.338 -13.861 1.00 0.00 O ATOM 1322 CB ASP A 87 -2.947 -5.940 -13.812 1.00 0.00 C ATOM 1323 CG ASP A 87 -2.343 -7.035 -14.668 1.00 0.00 C ATOM 1324 OD1 ASP A 87 -3.070 -7.596 -15.514 1.00 0.00 O ATOM 1325 OD2 ASP A 87 -1.143 -7.333 -14.491 1.00 0.00 O ATOM 0 H ASP A 87 -4.298 -4.252 -12.635 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.869 -5.951 -14.776 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.645 -4.969 -14.203 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.550 -6.013 -12.800 1.00 0.00 H new ATOM 1330 N SER A 88 -5.113 -7.350 -11.841 1.00 0.00 N ATOM 1331 CA SER A 88 -5.531 -8.560 -11.142 1.00 0.00 C ATOM 1332 C SER A 88 -7.016 -8.834 -11.358 1.00 0.00 C ATOM 1333 O SER A 88 -7.404 -9.950 -11.698 1.00 0.00 O ATOM 1334 CB SER A 88 -5.238 -8.441 -9.646 1.00 0.00 C ATOM 1335 OG SER A 88 -3.850 -8.283 -9.409 1.00 0.00 O ATOM 0 H SER A 88 -4.993 -6.535 -11.240 1.00 0.00 H new ATOM 0 HA SER A 88 -4.963 -9.395 -11.552 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.780 -7.590 -9.233 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.599 -9.330 -9.130 1.00 0.00 H new ATOM 0 HG SER A 88 -3.644 -7.332 -9.293 1.00 0.00 H new ATOM 1341 N VAL A 89 -7.843 -7.814 -11.155 1.00 0.00 N ATOM 1342 CA VAL A 89 -9.285 -7.956 -11.326 1.00 0.00 C ATOM 1343 C VAL A 89 -9.659 -8.098 -12.799 1.00 0.00 C ATOM 1344 O VAL A 89 -10.668 -8.716 -13.135 1.00 0.00 O ATOM 1345 CB VAL A 89 -10.042 -6.754 -10.730 1.00 0.00 C ATOM 1346 CG1 VAL A 89 -11.546 -6.991 -10.774 1.00 0.00 C ATOM 1347 CG2 VAL A 89 -9.575 -6.481 -9.307 1.00 0.00 C ATOM 0 H VAL A 89 -7.541 -6.882 -10.872 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.576 -8.862 -10.794 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.822 -5.874 -11.334 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -12.063 -6.131 -10.348 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.862 -7.129 -11.808 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.791 -7.883 -10.197 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.121 -5.629 -8.902 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.762 -7.359 -8.688 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.508 -6.260 -9.310 1.00 0.00 H new ATOM 1357 N ALA A 90 -8.842 -7.519 -13.673 1.00 0.00 N ATOM 1358 CA ALA A 90 -9.093 -7.581 -15.108 1.00 0.00 C ATOM 1359 C ALA A 90 -8.894 -8.994 -15.646 1.00 0.00 C ATOM 1360 O ALA A 90 -9.802 -9.576 -16.240 1.00 0.00 O ATOM 1361 CB ALA A 90 -8.188 -6.603 -15.842 1.00 0.00 C ATOM 0 H ALA A 90 -8.002 -7.002 -13.413 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.132 -7.302 -15.280 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.385 -6.659 -16.913 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.384 -5.591 -15.489 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.146 -6.858 -15.651 1.00 0.00 H new ATOM 1367 N LEU A 91 -7.700 -9.539 -15.439 1.00 0.00 N ATOM 1368 CA LEU A 91 -7.379 -10.883 -15.909 1.00 0.00 C ATOM 1369 C LEU A 91 -7.711 -11.939 -14.854 1.00 0.00 C ATOM 1370 O LEU A 91 -7.702 -13.135 -15.141 1.00 0.00 O ATOM 1371 CB LEU A 91 -5.897 -10.968 -16.282 1.00 0.00 C ATOM 1372 CG LEU A 91 -5.418 -12.348 -16.736 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -6.148 -12.778 -17.998 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -3.914 -12.341 -16.963 1.00 0.00 C ATOM 0 H LEU A 91 -6.938 -9.071 -14.949 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.988 -11.083 -16.790 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.698 -10.252 -17.079 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.304 -10.660 -15.421 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.643 -13.067 -15.949 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.794 -13.762 -18.306 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.219 -12.823 -17.801 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.955 -12.058 -18.793 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.590 -13.331 -17.286 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.665 -11.609 -17.732 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.407 -12.078 -16.035 1.00 0.00 H new ATOM 1386 N TYR A 92 -7.998 -11.493 -13.634 1.00 0.00 N ATOM 1387 CA TYR A 92 -8.325 -12.406 -12.544 1.00 0.00 C ATOM 1388 C TYR A 92 -7.144 -13.321 -12.236 1.00 0.00 C ATOM 1389 O TYR A 92 -7.134 -14.491 -12.617 1.00 0.00 O ATOM 1390 CB TYR A 92 -9.562 -13.240 -12.895 1.00 0.00 C ATOM 1391 CG TYR A 92 -10.778 -12.912 -12.053 1.00 0.00 C ATOM 1392 CD1 TYR A 92 -10.659 -12.618 -10.699 1.00 0.00 C ATOM 1393 CD2 TYR A 92 -12.048 -12.903 -12.617 1.00 0.00 C ATOM 1394 CE1 TYR A 92 -11.771 -12.323 -9.933 1.00 0.00 C ATOM 1395 CE2 TYR A 92 -13.164 -12.608 -11.857 1.00 0.00 C ATOM 1396 CZ TYR A 92 -13.020 -12.319 -10.516 1.00 0.00 C ATOM 1397 OH TYR A 92 -14.130 -12.026 -9.757 1.00 0.00 O ATOM 0 H TYR A 92 -8.011 -10.506 -13.376 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.544 -11.812 -11.657 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.807 -13.086 -13.946 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.323 -14.297 -12.775 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.682 -12.620 -10.239 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.165 -13.130 -13.666 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.662 -12.097 -8.883 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -14.144 -12.604 -12.311 1.00 0.00 H new ATOM 0 HH TYR A 92 -14.931 -12.065 -10.320 1.00 0.00 H new ATOM 1407 N GLN A 93 -6.148 -12.777 -11.543 1.00 0.00 N ATOM 1408 CA GLN A 93 -4.960 -13.542 -11.182 1.00 0.00 C ATOM 1409 C GLN A 93 -3.994 -12.689 -10.364 1.00 0.00 C ATOM 1410 O GLN A 93 -3.695 -11.551 -10.728 1.00 0.00 O ATOM 1411 CB GLN A 93 -4.262 -14.065 -12.439 1.00 0.00 C ATOM 1412 CG GLN A 93 -3.820 -15.515 -12.330 1.00 0.00 C ATOM 1413 CD GLN A 93 -4.969 -16.489 -12.499 1.00 0.00 C ATOM 1414 OE1 GLN A 93 -5.276 -16.919 -13.611 1.00 0.00 O ATOM 1415 NE2 GLN A 93 -5.614 -16.843 -11.393 1.00 0.00 N ATOM 0 H GLN A 93 -6.140 -11.809 -11.220 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.274 -14.390 -10.573 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -4.937 -13.962 -13.289 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.391 -13.443 -12.647 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.062 -15.718 -13.087 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.352 -15.676 -11.359 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.327 -16.463 -10.491 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -6.397 -17.495 -11.446 1.00 0.00 H new ATOM 1424 N CYS A 94 -3.512 -13.246 -9.258 1.00 0.00 N ATOM 1425 CA CYS A 94 -2.581 -12.537 -8.389 1.00 0.00 C ATOM 1426 C CYS A 94 -1.299 -12.181 -9.136 1.00 0.00 C ATOM 1427 O CYS A 94 -0.317 -12.922 -9.091 1.00 0.00 O ATOM 1428 CB CYS A 94 -2.249 -13.387 -7.162 1.00 0.00 C ATOM 1429 SG CYS A 94 -1.236 -12.537 -5.928 1.00 0.00 S ATOM 0 H CYS A 94 -3.751 -14.186 -8.943 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.059 -11.613 -8.065 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.179 -13.709 -6.694 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.728 -14.287 -7.487 1.00 0.00 H new ATOM 0 HG CYS A 94 -1.010 -13.336 -4.928 1.00 0.00 H new ATOM 1435 N GLN A 95 -1.315 -11.042 -9.821 1.00 0.00 N ATOM 1436 CA GLN A 95 -0.152 -10.589 -10.576 1.00 0.00 C ATOM 1437 C GLN A 95 0.980 -10.184 -9.638 1.00 0.00 C ATOM 1438 O GLN A 95 0.775 -10.025 -8.434 1.00 0.00 O ATOM 1439 CB GLN A 95 -0.528 -9.410 -11.476 1.00 0.00 C ATOM 1440 CG GLN A 95 -1.779 -9.652 -12.305 1.00 0.00 C ATOM 1441 CD GLN A 95 -1.652 -10.859 -13.213 1.00 0.00 C ATOM 1442 OE1 GLN A 95 -1.686 -12.001 -12.755 1.00 0.00 O ATOM 1443 NE2 GLN A 95 -1.504 -10.611 -14.510 1.00 0.00 N ATOM 0 H GLN A 95 -2.119 -10.417 -9.869 1.00 0.00 H new ATOM 0 HA GLN A 95 0.191 -11.417 -11.197 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.678 -8.525 -10.858 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.305 -9.194 -12.145 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.631 -9.791 -11.639 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.987 -8.768 -12.908 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.481 -9.648 -14.846 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.413 -11.384 -15.170 1.00 0.00 H new ATOM 1452 N GLU A 96 2.175 -10.018 -10.196 1.00 0.00 N ATOM 1453 CA GLU A 96 3.339 -9.630 -9.406 1.00 0.00 C ATOM 1454 C GLU A 96 3.184 -8.208 -8.878 1.00 0.00 C ATOM 1455 O GLU A 96 2.435 -7.406 -9.435 1.00 0.00 O ATOM 1456 CB GLU A 96 4.616 -9.738 -10.243 1.00 0.00 C ATOM 1457 CG GLU A 96 4.664 -10.974 -11.126 1.00 0.00 C ATOM 1458 CD GLU A 96 6.043 -11.599 -11.178 1.00 0.00 C ATOM 1459 OE1 GLU A 96 6.332 -12.473 -10.332 1.00 0.00 O ATOM 1460 OE2 GLU A 96 6.837 -11.217 -12.064 1.00 0.00 O ATOM 0 H GLU A 96 2.363 -10.146 -11.190 1.00 0.00 H new ATOM 0 HA GLU A 96 3.413 -10.311 -8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.705 -8.851 -10.870 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.478 -9.745 -9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.950 -11.709 -10.755 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.352 -10.707 -12.136 1.00 0.00 H new ATOM 1467 N LEU A 97 3.895 -7.904 -7.798 1.00 0.00 N ATOM 1468 CA LEU A 97 3.836 -6.578 -7.194 1.00 0.00 C ATOM 1469 C LEU A 97 5.059 -5.746 -7.570 1.00 0.00 C ATOM 1470 O LEU A 97 5.032 -4.518 -7.497 1.00 0.00 O ATOM 1471 CB LEU A 97 3.727 -6.694 -5.673 1.00 0.00 C ATOM 1472 CG LEU A 97 2.301 -6.863 -5.146 1.00 0.00 C ATOM 1473 CD1 LEU A 97 2.025 -8.319 -4.801 1.00 0.00 C ATOM 1474 CD2 LEU A 97 2.064 -5.972 -3.935 1.00 0.00 C ATOM 0 H LEU A 97 4.518 -8.557 -7.323 1.00 0.00 H new ATOM 0 HA LEU A 97 2.950 -6.072 -7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.325 -7.544 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.163 -5.803 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 97 1.610 -6.560 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.006 -8.418 -4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.146 -8.934 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.725 -8.650 -4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.044 -6.109 -3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.765 -6.239 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.214 -4.929 -4.216 1.00 0.00 H new ATOM 1486 N ASP A 98 6.130 -6.422 -7.973 1.00 0.00 N ATOM 1487 CA ASP A 98 7.361 -5.743 -8.362 1.00 0.00 C ATOM 1488 C ASP A 98 7.165 -4.951 -9.652 1.00 0.00 C ATOM 1489 O ASP A 98 7.872 -3.975 -9.906 1.00 0.00 O ATOM 1490 CB ASP A 98 8.493 -6.758 -8.539 1.00 0.00 C ATOM 1491 CG ASP A 98 9.406 -6.823 -7.330 1.00 0.00 C ATOM 1492 OD1 ASP A 98 8.893 -7.027 -6.209 1.00 0.00 O ATOM 1493 OD2 ASP A 98 10.633 -6.670 -7.503 1.00 0.00 O ATOM 0 H ASP A 98 6.170 -7.439 -8.039 1.00 0.00 H new ATOM 0 HA ASP A 98 7.627 -5.045 -7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.067 -7.744 -8.723 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.079 -6.495 -9.420 1.00 0.00 H new ATOM 1498 N THR A 99 6.205 -5.379 -10.467 1.00 0.00 N ATOM 1499 CA THR A 99 5.920 -4.713 -11.734 1.00 0.00 C ATOM 1500 C THR A 99 5.182 -3.392 -11.521 1.00 0.00 C ATOM 1501 O THR A 99 5.096 -2.570 -12.433 1.00 0.00 O ATOM 1502 CB THR A 99 5.091 -5.628 -12.637 1.00 0.00 C ATOM 1503 OG1 THR A 99 5.580 -6.956 -12.587 1.00 0.00 O ATOM 1504 CG2 THR A 99 5.086 -5.192 -14.086 1.00 0.00 C ATOM 0 H THR A 99 5.611 -6.185 -10.272 1.00 0.00 H new ATOM 0 HA THR A 99 6.874 -4.494 -12.214 1.00 0.00 H new ATOM 0 HB THR A 99 4.072 -5.569 -12.254 1.00 0.00 H new ATOM 0 HG1 THR A 99 5.036 -7.527 -13.169 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.480 -5.883 -14.672 1.00 0.00 H new ATOM 0 HG22 THR A 99 4.668 -4.188 -14.163 1.00 0.00 H new ATOM 0 HG23 THR A 99 6.107 -5.190 -14.469 1.00 0.00 H new ATOM 1512 N TYR A 100 4.647 -3.190 -10.320 1.00 0.00 N ATOM 1513 CA TYR A 100 3.918 -1.964 -10.008 1.00 0.00 C ATOM 1514 C TYR A 100 4.252 -1.463 -8.606 1.00 0.00 C ATOM 1515 O TYR A 100 3.530 -0.639 -8.048 1.00 0.00 O ATOM 1516 CB TYR A 100 2.410 -2.200 -10.127 1.00 0.00 C ATOM 1517 CG TYR A 100 2.015 -3.014 -11.340 1.00 0.00 C ATOM 1518 CD1 TYR A 100 2.067 -2.464 -12.615 1.00 0.00 C ATOM 1519 CD2 TYR A 100 1.589 -4.329 -11.208 1.00 0.00 C ATOM 1520 CE1 TYR A 100 1.704 -3.204 -13.725 1.00 0.00 C ATOM 1521 CE2 TYR A 100 1.227 -5.075 -12.313 1.00 0.00 C ATOM 1522 CZ TYR A 100 1.285 -4.509 -13.568 1.00 0.00 C ATOM 1523 OH TYR A 100 0.924 -5.248 -14.671 1.00 0.00 O ATOM 0 H TYR A 100 4.704 -3.856 -9.550 1.00 0.00 H new ATOM 0 HA TYR A 100 4.223 -1.203 -10.726 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.059 -2.709 -9.229 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.902 -1.236 -10.166 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.396 -1.443 -12.741 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.540 -4.776 -10.226 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.748 -2.763 -14.710 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.900 -6.097 -12.194 1.00 0.00 H new ATOM 0 HH TYR A 100 0.238 -5.901 -14.417 1.00 0.00 H new ATOM 1533 N LEU A 101 5.345 -1.966 -8.041 1.00 0.00 N ATOM 1534 CA LEU A 101 5.765 -1.566 -6.704 1.00 0.00 C ATOM 1535 C LEU A 101 6.414 -0.186 -6.721 1.00 0.00 C ATOM 1536 O LEU A 101 7.595 -0.047 -7.039 1.00 0.00 O ATOM 1537 CB LEU A 101 6.737 -2.599 -6.128 1.00 0.00 C ATOM 1538 CG LEU A 101 6.297 -3.239 -4.808 1.00 0.00 C ATOM 1539 CD1 LEU A 101 6.776 -4.679 -4.730 1.00 0.00 C ATOM 1540 CD2 LEU A 101 6.818 -2.436 -3.625 1.00 0.00 C ATOM 0 H LEU A 101 5.955 -2.651 -8.488 1.00 0.00 H new ATOM 0 HA LEU A 101 4.879 -1.515 -6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.883 -3.388 -6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.705 -2.120 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 101 5.208 -3.237 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.455 -5.119 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.353 -5.248 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.864 -4.704 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.495 -2.906 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.907 -2.406 -3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.425 -1.420 -3.673 1.00 0.00 H new